smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccc(Cl)s1 ZINC000088781265 260005006 /nfs/dbraw/zinc/00/50/06/260005006.db2.gz PZTVXVZOIJANGJ-MRVPVSSYSA-N 1 1 287.215 4.301 10 0 CIAEMO C[C@@H]([NH2+]Cc1nc2ccccc2s1)c1ccc(F)cc1 ZINC000020136162 171023816 /nfs/dbraw/zinc/02/38/16/171023816.db2.gz RSGANCPQRSWHMV-LLVKDONJSA-N 1 1 286.375 4.286 10 0 CIAEMO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cccs2)c(C)s1 ZINC000020148662 171037199 /nfs/dbraw/zinc/03/71/99/171037199.db2.gz GGXNLHNPBOBMFI-RKDXNWHRSA-N 1 1 266.435 4.233 10 0 CIAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000020369151 171166754 /nfs/dbraw/zinc/16/67/54/171166754.db2.gz DEKPTXKDBJCFSI-OAHLLOKOSA-N 1 1 257.720 4.134 10 0 CIAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1ccccc1Cl ZINC000020369128 171167192 /nfs/dbraw/zinc/16/71/92/171167192.db2.gz RBTJSIDIBROUON-OAHLLOKOSA-N 1 1 257.720 4.134 10 0 CIAEMO [NH3+][C@H](c1cc2cc(Cl)ccc2o1)c1ccccc1 ZINC000020389662 171179064 /nfs/dbraw/zinc/17/90/64/171179064.db2.gz BJJUECSLYIPBPD-HNNXBMFYSA-N 1 1 257.720 4.134 10 0 CIAEMO CCc1ccc([C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000020546332 171243983 /nfs/dbraw/zinc/24/39/83/171243983.db2.gz KKGJYPTUVLSVPC-CQSZACIVSA-N 1 1 288.479 4.209 10 0 CIAEMO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1F ZINC000020549981 171246842 /nfs/dbraw/zinc/24/68/42/171246842.db2.gz LEZUDYDIAZETOZ-LBPRGKRZSA-N 1 1 277.339 4.057 10 0 CIAEMO CCc1ccc(OC[C@@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000020557097 171250317 /nfs/dbraw/zinc/25/03/17/171250317.db2.gz UDYOTCBEAYNMBA-MRXNPFEDSA-N 1 1 281.355 4.074 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+]CCN(C(C)C)C(C)C)c(C)c1 ZINC000021060542 171296758 /nfs/dbraw/zinc/29/67/58/171296758.db2.gz IXBHRUIHEWZHFL-KRWDZBQOSA-N 1 1 276.468 4.073 10 0 CIAEMO [NH3+][C@@H]1CCCCCCCCCC[C@H]1N1CCCCC1 ZINC000021499755 171304519 /nfs/dbraw/zinc/30/45/19/171304519.db2.gz NUDNOPCBPQXIST-IAGOWNOFSA-N 1 1 266.473 4.083 10 0 CIAEMO CC[N@@H+]([C@H](CN)c1ccc(C(C)C)cc1)C1CCCCC1 ZINC000021509542 171309861 /nfs/dbraw/zinc/30/98/61/171309861.db2.gz LLODURLIXRECJM-LJQANCHMSA-N 1 1 288.479 4.464 10 0 CIAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](N)c1cccc2ccccc21 ZINC000021814073 171331180 /nfs/dbraw/zinc/33/11/80/171331180.db2.gz IYOYQIWTTIWRGQ-ZRGWGRIASA-N 1 1 282.431 4.103 10 0 CIAEMO C[C@@H]1CCC[C@H](C)N1C[C@@H]([NH3+])c1cccc2ccccc21 ZINC000021814073 171331182 /nfs/dbraw/zinc/33/11/82/171331182.db2.gz IYOYQIWTTIWRGQ-ZRGWGRIASA-N 1 1 282.431 4.103 10 0 CIAEMO C([NH2+]C1CCCCC1)C1(N2CCCCC2)CCCCC1 ZINC000021815288 171332212 /nfs/dbraw/zinc/33/22/12/171332212.db2.gz JSYATDAPDTWDTM-UHFFFAOYSA-N 1 1 278.484 4.098 10 0 CIAEMO CC[C@H](C)C[C@](CC)(CN)[N@@H+](CC)C1CCCCC1 ZINC000035176734 172030179 /nfs/dbraw/zinc/03/01/79/172030179.db2.gz NKYORAGWJSVATB-DOTOQJQBSA-N 1 1 268.489 4.185 10 0 CIAEMO C[N@H+](Cc1ccccc1N)Cc1ccc(Cl)cc1Cl ZINC000035360829 172152336 /nfs/dbraw/zinc/15/23/36/172152336.db2.gz FMMGNJCXXOSUQL-UHFFFAOYSA-N 1 1 295.213 4.208 10 0 CIAEMO C[N@@H+](Cc1ccccc1N)Cc1ccc(Cl)cc1Cl ZINC000035360829 172152339 /nfs/dbraw/zinc/15/23/39/172152339.db2.gz FMMGNJCXXOSUQL-UHFFFAOYSA-N 1 1 295.213 4.208 10 0 CIAEMO C[NH2+][C@H](c1ccc(Cl)cc1)c1c(F)cccc1Cl ZINC000035464737 172212193 /nfs/dbraw/zinc/21/21/93/172212193.db2.gz WFOOXKIXRFWKNG-CQSZACIVSA-N 1 1 284.161 4.441 10 0 CIAEMO C[NH2+][C@H](c1cccc(Cl)c1)c1c(F)cc(F)cc1F ZINC000035469561 172220758 /nfs/dbraw/zinc/22/07/58/172220758.db2.gz XCIWOMBGRPJHST-CQSZACIVSA-N 1 1 285.696 4.066 10 0 CIAEMO C[NH2+][C@@H](c1ccc(F)c(F)c1)c1c(F)cccc1Cl ZINC000035494798 172227755 /nfs/dbraw/zinc/22/77/55/172227755.db2.gz JSZMETGRZUCANX-AWEZNQCLSA-N 1 1 285.696 4.066 10 0 CIAEMO C[NH2+][C@@H](c1ccc(C)o1)c1cc(Cl)ccc1Cl ZINC000035501795 172236314 /nfs/dbraw/zinc/23/63/14/172236314.db2.gz VZYGJELQWXJYDW-CYBMUJFWSA-N 1 1 270.159 4.204 10 0 CIAEMO CC[NH2+][C@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035558642 172264209 /nfs/dbraw/zinc/26/42/09/172264209.db2.gz MPZKKJJLZYVVJI-ZDUSSCGKSA-N 1 1 270.159 4.285 10 0 CIAEMO CC[NH2+][C@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035559202 172264766 /nfs/dbraw/zinc/26/47/66/172264766.db2.gz SFDIKBMVKLSYMW-JTQLQIEISA-N 1 1 276.188 4.347 10 0 CIAEMO CCC[NH2+][C@@H](c1ccsc1)c1c(F)cc(F)cc1F ZINC000035580752 172276711 /nfs/dbraw/zinc/27/67/11/172276711.db2.gz ZGKHHJXZZUMWAW-AWEZNQCLSA-N 1 1 285.334 4.254 10 0 CIAEMO Cc1ccc([C@@H]([NH3+])c2oc3ccc(C)cc3c2C)s1 ZINC000035630558 172312376 /nfs/dbraw/zinc/31/23/76/172312376.db2.gz LSHOHUNGUDOBOJ-OAHLLOKOSA-N 1 1 271.385 4.468 10 0 CIAEMO CCC[N@H+]1CCC[C@H]([C@@H](C)Nc2ccc(Cl)cc2)C1 ZINC000037209874 173031173 /nfs/dbraw/zinc/03/11/73/173031173.db2.gz XRJBEWIPMUVEOH-KGLIPLIRSA-N 1 1 280.843 4.262 10 0 CIAEMO CCC[N@H+]1CCC[C@@H]([C@@H](C)Nc2cccc(Cl)c2)C1 ZINC000037209847 173031595 /nfs/dbraw/zinc/03/15/95/173031595.db2.gz VWAPQOXIPSTDAR-ZIAGYGMSSA-N 1 1 280.843 4.262 10 0 CIAEMO C[C@H](c1cccc(Cl)c1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032661 174028268 /nfs/dbraw/zinc/02/82/68/174028268.db2.gz YZOVZGKNMRJPLN-GFCCVEGCSA-N 1 1 286.806 4.042 10 0 CIAEMO Cc1ccc([C@@H](C)[N@H+]2CCc3c(N)cccc3C2)c(C)c1 ZINC000038032478 174029314 /nfs/dbraw/zinc/02/93/14/174029314.db2.gz RKMXSXKMWBRBDY-OAHLLOKOSA-N 1 1 280.415 4.005 10 0 CIAEMO CCCC[N@@H+](Cc1cc(N)ccc1Cl)[C@H](C)CC ZINC000042600587 174816244 /nfs/dbraw/zinc/81/62/44/174816244.db2.gz GPRCFWJCXLPVCV-GFCCVEGCSA-N 1 1 268.832 4.323 10 0 CIAEMO CC(C)[N@@H+](CC1CC1)[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000044415165 175172976 /nfs/dbraw/zinc/17/29/76/175172976.db2.gz CISNAKKZJCIDSL-GFCCVEGCSA-N 1 1 279.811 4.032 10 0 CIAEMO Cc1[nH+]c2ccccc2c(OCc2ccccc2)c1C ZINC000044857663 175266365 /nfs/dbraw/zinc/26/63/65/175266365.db2.gz KNEGRICRHBMMPI-UHFFFAOYSA-N 1 1 263.340 4.431 10 0 CIAEMO CC(C)(C)[N@@H+](CCC(=O)c1ccco1)Cc1ccccc1 ZINC000045336909 175360940 /nfs/dbraw/zinc/36/09/40/175360940.db2.gz OOYDSKGYUSHGQQ-UHFFFAOYSA-N 1 1 285.387 4.153 10 0 CIAEMO CC(C)C[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000071108588 176033868 /nfs/dbraw/zinc/03/38/68/176033868.db2.gz WJTPGVIJEPEZLR-LBPRGKRZSA-N 1 1 284.241 4.316 10 0 CIAEMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000179622026 260058601 /nfs/dbraw/zinc/05/86/01/260058601.db2.gz POCSYXBGNKIHBZ-NTZNESFSSA-N 1 1 287.325 4.177 10 0 CIAEMO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000179622026 260058603 /nfs/dbraw/zinc/05/86/03/260058603.db2.gz POCSYXBGNKIHBZ-NTZNESFSSA-N 1 1 287.325 4.177 10 0 CIAEMO CCc1nc(N[C@@H](C)c2ccc(Cl)s2)cc(C)[nH+]1 ZINC000306055036 260114380 /nfs/dbraw/zinc/11/43/80/260114380.db2.gz QRYRWQBAYVFIRK-VIFPVBQESA-N 1 1 281.812 4.235 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccco1 ZINC000035738993 260152894 /nfs/dbraw/zinc/15/28/94/260152894.db2.gz LBDJTMPPRVOEIP-WDEREUQCSA-N 1 1 294.192 4.454 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccnc2Cl)o1 ZINC000158122403 261158932 /nfs/dbraw/zinc/15/89/32/261158932.db2.gz GFCKXIFFOXTBDW-QWRGUYRKSA-N 1 1 264.756 4.048 10 0 CIAEMO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000186083119 262079218 /nfs/dbraw/zinc/07/92/18/262079218.db2.gz NHZLPILQYZCMAS-GHMZBOCLSA-N 1 1 265.378 4.070 10 0 CIAEMO Cc1nc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)oc1C ZINC000183129639 327758049 /nfs/dbraw/zinc/75/80/49/327758049.db2.gz RXEMWOWOEHOJDB-KRWDZBQOSA-N 1 1 284.403 4.095 10 0 CIAEMO C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000178610931 327794953 /nfs/dbraw/zinc/79/49/53/327794953.db2.gz FBRGOJVDRGGVSJ-ZETCQYMHSA-N 1 1 292.351 4.074 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)nc2)o1 ZINC000179096260 327799152 /nfs/dbraw/zinc/79/91/52/327799152.db2.gz KGXHJQBWGPTJLJ-QWRGUYRKSA-N 1 1 264.756 4.048 10 0 CIAEMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)c(OC)c1 ZINC000036922109 326831183 /nfs/dbraw/zinc/83/11/83/326831183.db2.gz JDBIFYLNBCVAGC-OLZOCXBDSA-N 1 1 289.375 4.017 10 0 CIAEMO c1coc([C@H]2CCC[N@H+]2Cc2nc3ccccc3s2)c1 ZINC000172030906 329083564 /nfs/dbraw/zinc/08/35/64/329083564.db2.gz SLEQXRAZQDSGHQ-CYBMUJFWSA-N 1 1 284.384 4.226 10 0 CIAEMO c1coc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)c1 ZINC000172030906 329083566 /nfs/dbraw/zinc/08/35/66/329083566.db2.gz SLEQXRAZQDSGHQ-CYBMUJFWSA-N 1 1 284.384 4.226 10 0 CIAEMO C[C@@H](Nc1cc[nH+]c2ccsc21)c1cccc(O)c1 ZINC000174719765 329161063 /nfs/dbraw/zinc/16/10/63/329161063.db2.gz IIJHJQCIDSZLBL-SNVBAGLBSA-N 1 1 270.357 4.175 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1cccs1 ZINC000176205417 329172583 /nfs/dbraw/zinc/17/25/83/329172583.db2.gz JDPNXLLZLXCYIM-NEPJUHHUSA-N 1 1 299.399 4.210 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000138975373 329678446 /nfs/dbraw/zinc/67/84/46/329678446.db2.gz VLBMOJYLSVUQBY-BDAKNGLRSA-N 1 1 284.190 4.128 10 0 CIAEMO Cc1ccccc1[C@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000105689627 330327855 /nfs/dbraw/zinc/32/78/55/330327855.db2.gz HRGNSYYRODWHNW-LJQANCHMSA-N 1 1 277.367 4.467 10 0 CIAEMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)c1cncs1 ZINC000164966989 331305441 /nfs/dbraw/zinc/30/54/41/331305441.db2.gz HTYYKPYVBDXLFB-CYBMUJFWSA-N 1 1 287.432 4.307 10 0 CIAEMO FC(F)(F)[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000079618297 334158384 /nfs/dbraw/zinc/15/83/84/334158384.db2.gz AYQHFMHCKAUCEF-LBPRGKRZSA-N 1 1 289.366 4.053 10 0 CIAEMO C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246872048 334271050 /nfs/dbraw/zinc/27/10/50/334271050.db2.gz FOFVQYXFPLWDJZ-WFASDCNBSA-N 1 1 259.324 4.317 10 0 CIAEMO CCC[C@@H](c1cccs1)n1c[nH+]c2cc(N)ccc21 ZINC000052853883 520812130 /nfs/dbraw/zinc/81/21/30/520812130.db2.gz LMTXORZMTDCFNF-AWEZNQCLSA-N 1 1 271.389 4.070 10 0 CIAEMO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000036960053 521573427 /nfs/dbraw/zinc/57/34/27/521573427.db2.gz WFPMLHWMHWJAQX-ZIAGYGMSSA-N 1 1 273.376 4.399 10 0 CIAEMO C[N@@H+](C[C@@H](O)c1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000062352100 523023394 /nfs/dbraw/zinc/02/33/94/523023394.db2.gz UCAYSBVJQOLXSG-GOSISDBHSA-N 1 1 289.463 4.282 10 0 CIAEMO Cc1ccccc1NCC[N@H+](C)C1CCCCCC1 ZINC000053385406 525268768 /nfs/dbraw/zinc/26/87/68/525268768.db2.gz AZYASRDHXUYOMG-UHFFFAOYSA-N 1 1 260.425 4.062 10 0 CIAEMO Cc1ccc(N[C@H](C)c2ccc(Br)cc2)[nH+]c1 ZINC000049526221 525316406 /nfs/dbraw/zinc/31/64/06/525316406.db2.gz YRWTYQUXKQPFGU-LLVKDONJSA-N 1 1 291.192 4.326 10 0 CIAEMO C[C@@]([NH3+])(c1nc2cccc(Cl)c2s1)c1ccccc1 ZINC000052879278 525750884 /nfs/dbraw/zinc/75/08/84/525750884.db2.gz BAYMQSSRUATTTE-HNNXBMFYSA-N 1 1 288.803 4.172 10 0 CIAEMO Cc1ccc([C@H]([NH3+])c2oc3cc(F)ccc3c2C)s1 ZINC000062749467 525964110 /nfs/dbraw/zinc/96/41/10/525964110.db2.gz QBVFHPXJXNCABE-AWEZNQCLSA-N 1 1 275.348 4.298 10 0 CIAEMO Clc1ccc(Cl)c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000061630455 526955070 /nfs/dbraw/zinc/95/50/70/526955070.db2.gz ZNNGFMKKQYIWSJ-VXGBXAGGSA-N 1 1 299.245 4.401 10 0 CIAEMO Clc1ccc(Cl)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000061630455 526955074 /nfs/dbraw/zinc/95/50/74/526955074.db2.gz ZNNGFMKKQYIWSJ-VXGBXAGGSA-N 1 1 299.245 4.401 10 0 CIAEMO Cc1nc([C@H]([NH3+])c2csc3ccccc32)sc1C ZINC000054465562 527069289 /nfs/dbraw/zinc/06/92/89/527069289.db2.gz HQGQZJOENOHKSA-CYBMUJFWSA-N 1 1 274.414 4.023 10 0 CIAEMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C)c1Br ZINC000685946590 570405276 /nfs/dbraw/zinc/40/52/76/570405276.db2.gz TYTXFNPCRXZJNU-LBPRGKRZSA-N 1 1 282.225 4.132 10 0 CIAEMO c1ccc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)nc1 ZINC000082508639 178074714 /nfs/dbraw/zinc/07/47/14/178074714.db2.gz ZMRSXVNISICHJL-QGZVFWFLSA-N 1 1 294.398 4.008 10 0 CIAEMO CCc1cc(N[C@H](c2ccc(F)cc2)C2CC2)nc(C)[nH+]1 ZINC000302041179 529561941 /nfs/dbraw/zinc/56/19/41/529561941.db2.gz IATMETNJCVFCMZ-KRWDZBQOSA-N 1 1 285.366 4.050 10 0 CIAEMO CCC(CC)C[N@@H+](CC)[C@@H](CN)c1cccc(Cl)c1 ZINC000109679136 186268360 /nfs/dbraw/zinc/26/83/60/186268360.db2.gz BWAKXXHJDIBAQU-INIZCTEOSA-N 1 1 282.859 4.098 10 0 CIAEMO CCC(CC)CN(CC)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000109679136 186268362 /nfs/dbraw/zinc/26/83/62/186268362.db2.gz BWAKXXHJDIBAQU-INIZCTEOSA-N 1 1 282.859 4.098 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)o1 ZINC000035043345 260005203 /nfs/dbraw/zinc/00/52/03/260005203.db2.gz DFKOJKLAWKVUDG-ZKYQVNSYSA-N 1 1 259.349 4.155 10 0 CIAEMO Cc1ncsc1CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000172525951 260015269 /nfs/dbraw/zinc/01/52/69/260015269.db2.gz AUVFLAPSJHPCKI-GFCCVEGCSA-N 1 1 294.851 4.340 10 0 CIAEMO Cc1ccc([C@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000020129433 171017795 /nfs/dbraw/zinc/01/77/95/171017795.db2.gz IIJLBCBSKQDJRX-HOCLYGCPSA-N 1 1 288.460 4.010 10 0 CIAEMO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c(C)s1 ZINC000020148088 171036022 /nfs/dbraw/zinc/03/60/22/171036022.db2.gz SNWGDSZBLZTDRW-UWVGGRQHSA-N 1 1 278.396 4.311 10 0 CIAEMO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cccs2)c(C)s1 ZINC000020148661 171037213 /nfs/dbraw/zinc/03/72/13/171037213.db2.gz GGXNLHNPBOBMFI-IUCAKERBSA-N 1 1 266.435 4.233 10 0 CIAEMO [NH3+][C@@H](c1cc2cc(Cl)ccc2o1)c1ccc(F)cc1 ZINC000020389691 171179265 /nfs/dbraw/zinc/17/92/65/171179265.db2.gz AIJSNHBSMHPUNW-OAHLLOKOSA-N 1 1 275.710 4.273 10 0 CIAEMO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1F ZINC000020549979 171246641 /nfs/dbraw/zinc/24/66/41/171246641.db2.gz LEZUDYDIAZETOZ-GFCCVEGCSA-N 1 1 277.339 4.057 10 0 CIAEMO CCC(C)(C)C1CCC(CN)([N@H+]2CCC[C@@H](C)C2)CC1 ZINC000021012450 171287883 /nfs/dbraw/zinc/28/78/83/171287883.db2.gz QUYVSBXAFCZFBX-KLHKWILBSA-N 1 1 280.500 4.042 10 0 CIAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](N)c1ccc2ccccc2c1 ZINC000021016843 171289902 /nfs/dbraw/zinc/28/99/02/171289902.db2.gz ZPFNFHXTBPRIRQ-ZRGWGRIASA-N 1 1 282.431 4.103 10 0 CIAEMO C1=CC[C@@H](C[NH2+]CC2(N3CCCCC3)CCCCC2)CC1 ZINC000021517110 171313219 /nfs/dbraw/zinc/31/32/19/171313219.db2.gz IRZIHGWCKWDNJG-GOSISDBHSA-N 1 1 290.495 4.121 10 0 CIAEMO Cc1ccc(C)c([C@@H](C)[NH2+]CCN(C(C)C)C(C)C)c1 ZINC000021520796 171315990 /nfs/dbraw/zinc/31/59/90/171315990.db2.gz TZLIKPQHULGIMX-QGZVFWFLSA-N 1 1 276.468 4.073 10 0 CIAEMO CC(C)[N@@H+](C)C1(CN)CCCCCCCCCCC1 ZINC000022148427 171357462 /nfs/dbraw/zinc/35/74/62/171357462.db2.gz XVOYDXIOFNFGLL-UHFFFAOYSA-N 1 1 268.489 4.329 10 0 CIAEMO C[NH2+][C@@H](c1ccc(Cl)cc1)c1c(F)cc(F)cc1F ZINC000035469572 172220846 /nfs/dbraw/zinc/22/08/46/172220846.db2.gz YFSUPJYRKCKQTM-AWEZNQCLSA-N 1 1 285.696 4.066 10 0 CIAEMO CC(C)[C@H](O)[N@@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC000035569896 172265443 /nfs/dbraw/zinc/26/54/43/172265443.db2.gz QILIVQLYPIRCPW-FQEVSTJZSA-N 1 1 297.442 4.115 10 0 CIAEMO Cc1ccc([C@H]([NH3+])c2oc3ccc(C)cc3c2C)s1 ZINC000035630559 172311894 /nfs/dbraw/zinc/31/18/94/172311894.db2.gz LSHOHUNGUDOBOJ-HNNXBMFYSA-N 1 1 271.385 4.468 10 0 CIAEMO Cc1c2cc(C)ccc2oc1[C@H]([NH3+])c1ccc(F)cc1 ZINC000035630522 172312000 /nfs/dbraw/zinc/31/20/00/172312000.db2.gz ZIAVUHUGDMWQDU-MRXNPFEDSA-N 1 1 269.319 4.237 10 0 CIAEMO CCC[N@H+]1CCC[C@H]([C@@H](C)Nc2ccccc2Cl)C1 ZINC000037209972 173031349 /nfs/dbraw/zinc/03/13/49/173031349.db2.gz YECPRLGYOKCCHL-KGLIPLIRSA-N 1 1 280.843 4.262 10 0 CIAEMO C[C@H](Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000037221815 173042586 /nfs/dbraw/zinc/04/25/86/173042586.db2.gz BRGMYYJYIOZQFW-WDEREUQCSA-N 1 1 287.234 4.136 10 0 CIAEMO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000037260458 173070730 /nfs/dbraw/zinc/07/07/30/173070730.db2.gz OOCYCENHPSRMSE-QWHCGFSZSA-N 1 1 259.349 4.008 10 0 CIAEMO Cc1cc(C(=O)C[N@H+](C)C2CCCCCC2)c(C)s1 ZINC000037340252 173142131 /nfs/dbraw/zinc/14/21/31/173142131.db2.gz IXVHGFILWWNGPB-UHFFFAOYSA-N 1 1 279.449 4.202 10 0 CIAEMO CCc1ccc(C(=O)C[N@@H+](C)C2CCCCCC2)s1 ZINC000037340250 173142311 /nfs/dbraw/zinc/14/23/11/173142311.db2.gz PECDLAZYWOCCSV-UHFFFAOYSA-N 1 1 279.449 4.148 10 0 CIAEMO CCC(CC)[N@@H+](C)CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000037415201 173191616 /nfs/dbraw/zinc/19/16/16/173191616.db2.gz AKADBDLHEXDAOF-UHFFFAOYSA-N 1 1 288.218 4.297 10 0 CIAEMO CCC[N@@H+](C(C)C)[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037415034 173192040 /nfs/dbraw/zinc/19/20/40/173192040.db2.gz ZNIJREPDAGKHQC-LBPRGKRZSA-N 1 1 267.800 4.032 10 0 CIAEMO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1Cl)N1CCCCC1 ZINC000038029069 174018385 /nfs/dbraw/zinc/01/83/85/174018385.db2.gz GHAXCTJLUOGXHR-CHWSQXEVSA-N 1 1 298.833 4.004 10 0 CIAEMO CC(C)(C)C1CCC([N@H+]2CCc3c(N)cccc3C2)CC1 ZINC000038032593 174028486 /nfs/dbraw/zinc/02/84/86/174028486.db2.gz XZYQSMVCEMEPQS-UHFFFAOYSA-N 1 1 286.463 4.232 10 0 CIAEMO CC(C)(C)[C@@H]1CCCC[C@H]1[N@H+]1CCc2c(N)cccc2C1 ZINC000038032604 174029148 /nfs/dbraw/zinc/02/91/48/174029148.db2.gz BQUSUBIBJRRWLI-SJLPKXTDSA-N 1 1 286.463 4.232 10 0 CIAEMO Cc1ccc(C)c([C@@H](C)[N@H+]2CCc3c(N)cccc3C2)c1 ZINC000038032558 174029250 /nfs/dbraw/zinc/02/92/50/174029250.db2.gz RWOGXPAYKCVQHM-OAHLLOKOSA-N 1 1 280.415 4.005 10 0 CIAEMO C[C@H](CN[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000038041669 174043111 /nfs/dbraw/zinc/04/31/11/174043111.db2.gz LWIIBANFUUDGCK-CABCVRRESA-N 1 1 294.870 4.113 10 0 CIAEMO C[N@@H+](Cc1cc(Br)cs1)C1CCCCC1 ZINC000043686961 175094371 /nfs/dbraw/zinc/09/43/71/175094371.db2.gz INTIWXGXGBTUCB-UHFFFAOYSA-N 1 1 288.254 4.275 10 0 CIAEMO C[C@H]([N@@H+](C)Cc1cc(Br)cs1)C(C)(C)C ZINC000043687314 175095051 /nfs/dbraw/zinc/09/50/51/175095051.db2.gz IUNUOEWXUDXDJK-VIFPVBQESA-N 1 1 290.270 4.377 10 0 CIAEMO CC(C)c1[nH+]c2cc(N)ccc2n1[C@@H]1CCC[C@H]1C ZINC000071209439 176082261 /nfs/dbraw/zinc/08/22/61/176082261.db2.gz GFVHEWFDAPTMMF-BXUZGUMPSA-N 1 1 257.381 4.103 10 0 CIAEMO Cc1ccn2c(N)c(-c3ccc4ccccc4c3)[nH+]c2c1 ZINC000074541946 176583073 /nfs/dbraw/zinc/58/30/73/176583073.db2.gz BJZRNROQDADMHR-UHFFFAOYSA-N 1 1 273.339 4.045 10 0 CIAEMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000179622000 260058424 /nfs/dbraw/zinc/05/84/24/260058424.db2.gz POCSYXBGNKIHBZ-MDZLAQPJSA-N 1 1 287.325 4.177 10 0 CIAEMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000179622000 260058426 /nfs/dbraw/zinc/05/84/26/260058426.db2.gz POCSYXBGNKIHBZ-MDZLAQPJSA-N 1 1 287.325 4.177 10 0 CIAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000173698658 261169410 /nfs/dbraw/zinc/16/94/10/261169410.db2.gz NYSQSYUVJKAKRS-WMZOPIPTSA-N 1 1 297.446 4.152 10 0 CIAEMO CCc1nc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2C)cs1 ZINC000182223069 261930501 /nfs/dbraw/zinc/93/05/01/261930501.db2.gz DIVKCULNKWQKFL-PRXAMGSTSA-N 1 1 286.444 4.290 10 0 CIAEMO Fc1cc2cccnc2c(C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116289348 267136595 /nfs/dbraw/zinc/13/65/95/267136595.db2.gz VHTLWBLUGBNHKV-INIZCTEOSA-N 1 1 296.345 4.304 10 0 CIAEMO c1coc([C@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000116297259 267137491 /nfs/dbraw/zinc/13/74/91/267137491.db2.gz HWDCRVQQPMLZQC-OAHLLOKOSA-N 1 1 294.354 4.272 10 0 CIAEMO c1coc([C@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000116297259 267137494 /nfs/dbraw/zinc/13/74/94/267137494.db2.gz HWDCRVQQPMLZQC-OAHLLOKOSA-N 1 1 294.354 4.272 10 0 CIAEMO c1coc([C@H]2CCCN2Cc2cnc(-c3ccccc3)[nH]2)c1 ZINC000179597578 329210192 /nfs/dbraw/zinc/21/01/92/329210192.db2.gz DGTBSKQUZKYGNL-MRXNPFEDSA-N 1 1 293.370 4.007 10 0 CIAEMO c1coc([C@H]2CCC[N@H+]2Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC000179597578 329210194 /nfs/dbraw/zinc/21/01/94/329210194.db2.gz DGTBSKQUZKYGNL-MRXNPFEDSA-N 1 1 293.370 4.007 10 0 CIAEMO c1coc([C@H]2CCC[N@@H+]2Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC000179597578 329210195 /nfs/dbraw/zinc/21/01/95/329210195.db2.gz DGTBSKQUZKYGNL-MRXNPFEDSA-N 1 1 293.370 4.007 10 0 CIAEMO CC[C@@H](c1ccccc1)[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106371449 330337229 /nfs/dbraw/zinc/33/72/29/330337229.db2.gz VZGXNGAKQGLOJS-KRWDZBQOSA-N 1 1 297.446 4.053 10 0 CIAEMO CC[C@@H](c1ccccc1)[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106371449 330337230 /nfs/dbraw/zinc/33/72/30/330337230.db2.gz VZGXNGAKQGLOJS-KRWDZBQOSA-N 1 1 297.446 4.053 10 0 CIAEMO C[C@H](Nc1cc[nH+]cc1Cl)c1ccc(F)c(F)c1 ZINC000176747622 333046578 /nfs/dbraw/zinc/04/65/78/333046578.db2.gz IWARTGNDAJDAJG-QMMMGPOBSA-N 1 1 268.694 4.186 10 0 CIAEMO CCc1nc(N[C@@H](C)c2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000311436362 333068457 /nfs/dbraw/zinc/06/84/57/333068457.db2.gz HNARKZBTTIRNTB-NSHDSACASA-N 1 1 275.783 4.174 10 0 CIAEMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H]1CCC1(C)C ZINC000311667708 333071037 /nfs/dbraw/zinc/07/10/37/333071037.db2.gz XULLVFNZHJICAN-MRXNPFEDSA-N 1 1 258.409 4.196 10 0 CIAEMO Cc1nocc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000339171334 335142093 /nfs/dbraw/zinc/14/20/93/335142093.db2.gz LZMURANIWBJWAW-MRVPVSSYSA-N 1 1 285.174 4.141 10 0 CIAEMO C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1cccc(Cl)c1 ZINC000066969818 333631877 /nfs/dbraw/zinc/63/18/77/333631877.db2.gz SUKUZBYBQBZKOK-LBPRGKRZSA-N 1 1 299.805 4.078 10 0 CIAEMO CCCCCC[N@H+]1C[C@@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062672066 520079528 /nfs/dbraw/zinc/07/95/28/520079528.db2.gz PMFZVCODOLPCKD-MSOLQXFVSA-N 1 1 282.516 4.301 10 0 CIAEMO C[NH2+][C@@H](c1ccc(Cl)cc1F)c1cc(C)ccc1F ZINC000062786238 522368121 /nfs/dbraw/zinc/36/81/21/522368121.db2.gz KCWNIZKKTAZCKR-HNNXBMFYSA-N 1 1 281.733 4.235 10 0 CIAEMO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000139060285 519449610 /nfs/dbraw/zinc/44/96/10/519449610.db2.gz LDOLTRLQVNBVKS-UONOGXRCSA-N 1 1 271.408 4.020 10 0 CIAEMO CC(C)[C@@H](c1cccs1)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601110 519801614 /nfs/dbraw/zinc/80/16/14/519801614.db2.gz OEUOVNWIUMBIDQ-ZENOOKHLSA-N 1 1 277.433 4.031 10 0 CIAEMO CCCCC[N@@H+](C)[C@@H](CN)c1csc2ccccc21 ZINC000054464058 520155412 /nfs/dbraw/zinc/15/54/12/520155412.db2.gz BVHPGQCUXAPLGF-HNNXBMFYSA-N 1 1 276.449 4.023 10 0 CIAEMO CCCCCN(C)[C@@H](C[NH3+])c1csc2ccccc21 ZINC000054464058 520155420 /nfs/dbraw/zinc/15/54/20/520155420.db2.gz BVHPGQCUXAPLGF-HNNXBMFYSA-N 1 1 276.449 4.023 10 0 CIAEMO CC[N@@H+](CCNc1ccc(Cl)cc1)C1CCCC1 ZINC000053381912 521084898 /nfs/dbraw/zinc/08/48/98/521084898.db2.gz SEDGNPLATIQNNH-UHFFFAOYSA-N 1 1 266.816 4.016 10 0 CIAEMO CCCCc1nc(Cl)c(C[NH2+][C@@H](C)c2ccccc2)[nH]1 ZINC000088398636 521301440 /nfs/dbraw/zinc/30/14/40/521301440.db2.gz FPFABWWDWVBSMG-LBPRGKRZSA-N 1 1 291.826 4.257 10 0 CIAEMO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000036960054 521583365 /nfs/dbraw/zinc/58/33/65/521583365.db2.gz WFPMLHWMHWJAQX-UONOGXRCSA-N 1 1 273.376 4.399 10 0 CIAEMO C[N@@H+](CC[C@@H](O)c1cccc(Cl)c1)C1CCCCC1 ZINC000054023885 522927726 /nfs/dbraw/zinc/92/77/26/522927726.db2.gz BLNZQQXJEYXIQL-MRXNPFEDSA-N 1 1 281.827 4.028 10 0 CIAEMO Cc1cc(N)c[nH+]c1Nc1ccc(Cl)cc1Cl ZINC000052812422 525040825 /nfs/dbraw/zinc/04/08/25/525040825.db2.gz JXWMRWIWDGIBBP-UHFFFAOYSA-N 1 1 268.147 4.023 10 0 CIAEMO C[C@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1cccs1 ZINC000193112494 525536782 /nfs/dbraw/zinc/53/67/82/525536782.db2.gz QLXBXMSESZBJJS-RYUDHWBXSA-N 1 1 299.399 4.210 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1nccs1 ZINC000070732336 525607000 /nfs/dbraw/zinc/60/70/00/525607000.db2.gz BMHFGLSPWQIWCD-JGVFFNPUSA-N 1 1 272.826 4.270 10 0 CIAEMO C[N@@H+]1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250043 567039043 /nfs/dbraw/zinc/03/90/43/567039043.db2.gz CQSIPIDCZYCXNL-UHFFFAOYSA-N 1 1 290.366 4.214 10 0 CIAEMO Cc1cc(-n2cccc2)ccc1[NH+]1CCC(C)CC1 ZINC000226275953 567041400 /nfs/dbraw/zinc/04/14/00/567041400.db2.gz IIBZTTGWFCGIIC-UHFFFAOYSA-N 1 1 254.377 4.022 10 0 CIAEMO C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1Nc1ccccc1 ZINC000032235566 567885857 /nfs/dbraw/zinc/88/58/57/567885857.db2.gz JQELYMOBBRDROY-XLIONFOSSA-N 1 1 294.442 4.052 10 0 in-vitro CIAEMO [NH2+]=C1c2ccccc2CN1c1ccc(SC(F)F)cc1 ZINC000003210538 570362527 /nfs/dbraw/zinc/36/25/27/570362527.db2.gz GUANIJAENQBXNC-UHFFFAOYSA-N 1 1 290.338 4.347 10 0 CIAEMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C)c1Br ZINC000685946589 570405389 /nfs/dbraw/zinc/40/53/89/570405389.db2.gz TYTXFNPCRXZJNU-GFCCVEGCSA-N 1 1 282.225 4.132 10 0 CIAEMO CCn1c2ccccc2[nH+]c1Nc1ccc(Cl)cc1 ZINC000000513588 230366448 /nfs/dbraw/zinc/36/64/48/230366448.db2.gz CVBUJWDPHCTBLA-UHFFFAOYSA-N 1 1 271.751 4.453 10 0 CIAEMO Brc1ccc2[nH]c(Nc3ccccc3)[nH+]c2c1 ZINC000082740645 178263725 /nfs/dbraw/zinc/26/37/25/178263725.db2.gz KZLQVTKMRKYKRF-UHFFFAOYSA-N 1 1 288.148 4.069 10 0 CIAEMO Brc1ccc2[nH+]c(Nc3ccccc3)[nH]c2c1 ZINC000082740645 178263729 /nfs/dbraw/zinc/26/37/29/178263729.db2.gz KZLQVTKMRKYKRF-UHFFFAOYSA-N 1 1 288.148 4.069 10 0 CIAEMO Cc1cc(-n2cccc2)ccc1[N@H+]1CCCC[C@H]1C ZINC000226275896 136386799 /nfs/dbraw/zinc/38/67/99/136386799.db2.gz FEDBZAJLQUOGHQ-OAHLLOKOSA-N 1 1 254.377 4.165 10 0 CIAEMO Cc1cc(-n2cccc2)ccc1[N@@H+]1CCCC[C@H]1C ZINC000226275896 136386800 /nfs/dbraw/zinc/38/68/00/136386800.db2.gz FEDBZAJLQUOGHQ-OAHLLOKOSA-N 1 1 254.377 4.165 10 0 CIAEMO CCCCC[N@@H+](CC(=O)c1cc(C)sc1C)C(C)C ZINC000104158694 185913778 /nfs/dbraw/zinc/91/37/78/185913778.db2.gz XYPRHOFUVWABRX-UHFFFAOYSA-N 1 1 281.465 4.448 10 0 CIAEMO Cc1ccc([C@@H](C)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000020129434 171018020 /nfs/dbraw/zinc/01/80/20/171018020.db2.gz IIJLBCBSKQDJRX-GDBMZVCRSA-N 1 1 288.460 4.010 10 0 CIAEMO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)c(C)s1 ZINC000020148089 171035751 /nfs/dbraw/zinc/03/57/51/171035751.db2.gz SNWGDSZBLZTDRW-NXEZZACHSA-N 1 1 278.396 4.311 10 0 CIAEMO C[C@H](Nc1ccc(N)c[nH+]1)c1ccc(Cl)cc1Cl ZINC000020381433 171172410 /nfs/dbraw/zinc/17/24/10/171172410.db2.gz FUKQYEQDEFXQMJ-QMMMGPOBSA-N 1 1 282.174 4.144 10 0 CIAEMO Cc1ccc(C)c(OC[C@@H]([NH3+])c2cc3ccccc3o2)c1 ZINC000020548214 171245483 /nfs/dbraw/zinc/24/54/83/171245483.db2.gz VVEHZJBCSHUDRW-OAHLLOKOSA-N 1 1 281.355 4.128 10 0 CIAEMO Cc1c2ccccc2oc1[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000020592931 171262628 /nfs/dbraw/zinc/26/26/28/171262628.db2.gz MLPNYFDJGAATOY-OAHLLOKOSA-N 1 1 271.747 4.443 10 0 CIAEMO C[N@@H+]([C@@H](CN)c1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000021011916 171287707 /nfs/dbraw/zinc/28/77/07/171287707.db2.gz YAYVYKTWPSEVNU-SFHVURJKSA-N 1 1 288.479 4.248 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+]CCN(C(C)C)C(C)C)c(C)c1 ZINC000021060545 171296747 /nfs/dbraw/zinc/29/67/47/171296747.db2.gz IXBHRUIHEWZHFL-QGZVFWFLSA-N 1 1 276.468 4.073 10 0 CIAEMO CCCC[N@@H+](CC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1N ZINC000021520798 171316055 /nfs/dbraw/zinc/31/60/55/171316055.db2.gz OFRGEZCECMPCSU-HRCADAONSA-N 1 1 268.489 4.041 10 0 CIAEMO C[C@@H]1CCC[C@@H](C)N1C[C@@H]([NH3+])c1cccc2ccccc21 ZINC000021814072 171331195 /nfs/dbraw/zinc/33/11/95/171331195.db2.gz IYOYQIWTTIWRGQ-SPYBWZPUSA-N 1 1 282.431 4.103 10 0 CIAEMO CCCCCC[C@](C)(CN)[N@@H+](CC)C1CCCCC1 ZINC000035176754 172029806 /nfs/dbraw/zinc/02/98/06/172029806.db2.gz CFNPBEGMMLXUNA-QGZVFWFLSA-N 1 1 268.489 4.329 10 0 CIAEMO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1occc1C ZINC000035502053 172236609 /nfs/dbraw/zinc/23/66/09/172236609.db2.gz MDTOLXPREMAAAP-VIFPVBQESA-N 1 1 276.188 4.265 10 0 CIAEMO C[NH2+][C@@H](c1ccc(C)o1)c1cc(Cl)sc1Cl ZINC000035502038 172236718 /nfs/dbraw/zinc/23/67/18/172236718.db2.gz BVPNMCIDIPBKRX-SNVBAGLBSA-N 1 1 276.188 4.265 10 0 CIAEMO CC[NH2+][C@@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035558640 172264585 /nfs/dbraw/zinc/26/45/85/172264585.db2.gz MPZKKJJLZYVVJI-CYBMUJFWSA-N 1 1 270.159 4.285 10 0 CIAEMO CC[NH2+][C@@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035559199 172264652 /nfs/dbraw/zinc/26/46/52/172264652.db2.gz SFDIKBMVKLSYMW-SNVBAGLBSA-N 1 1 276.188 4.347 10 0 CIAEMO Cc1c2cc(C)ccc2oc1[C@H]([NH3+])c1cccs1 ZINC000035630526 172312178 /nfs/dbraw/zinc/31/21/78/172312178.db2.gz HOBRDDASOHJWBQ-CQSZACIVSA-N 1 1 257.358 4.159 10 0 CIAEMO C[C@H](Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000037209189 173030357 /nfs/dbraw/zinc/03/03/57/173030357.db2.gz NUPNEZHUQYMBLN-QWRGUYRKSA-N 1 1 287.234 4.136 10 0 CIAEMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037340395 173142122 /nfs/dbraw/zinc/14/21/22/173142122.db2.gz MINPKJJEGCPRHQ-LLVKDONJSA-N 1 1 276.767 4.104 10 0 CIAEMO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)N1CCCCC1 ZINC000038029066 174018822 /nfs/dbraw/zinc/01/88/22/174018822.db2.gz GHAXCTJLUOGXHR-STQMWFEESA-N 1 1 298.833 4.004 10 0 CIAEMO C[C@H](CN[C@H](C)c1ccc(F)c(Cl)c1)[NH+]1CCCCC1 ZINC000038028795 174018925 /nfs/dbraw/zinc/01/89/25/174018925.db2.gz CKRVPSOKRDHKDD-CHWSQXEVSA-N 1 1 298.833 4.004 10 0 CIAEMO Cc1ccc([C@H](C)[N@H+]2CCc3c(N)cccc3C2)cc1C ZINC000038032672 174028787 /nfs/dbraw/zinc/02/87/87/174028787.db2.gz DAXBASNWBFOKNN-HNNXBMFYSA-N 1 1 280.415 4.005 10 0 CIAEMO CC[C@H](c1ccc(C)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032513 174029203 /nfs/dbraw/zinc/02/92/03/174029203.db2.gz QEKKADVIEXBQMR-LJQANCHMSA-N 1 1 280.415 4.087 10 0 CIAEMO Cc1ccc(C)c([C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000038041639 174043135 /nfs/dbraw/zinc/04/31/35/174043135.db2.gz NHCOQTJZEHKOOF-SJLPKXTDSA-N 1 1 288.479 4.076 10 0 CIAEMO CCC(CC)[N@@H+](C)Cc1cc(Br)cs1 ZINC000043687083 175094348 /nfs/dbraw/zinc/09/43/48/175094348.db2.gz GJWRZHVGLMTPPC-UHFFFAOYSA-N 1 1 276.243 4.131 10 0 CIAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(Br)cc1 ZINC000071108743 176034061 /nfs/dbraw/zinc/03/40/61/176034061.db2.gz FIGIBVIKHFBVCQ-NWDGAFQWSA-N 1 1 282.225 4.070 10 0 CIAEMO CC(C)c1[nH+]c2cc(N)ccc2n1[C@@H]1CCC[C@@H]1C ZINC000071209440 176082136 /nfs/dbraw/zinc/08/21/36/176082136.db2.gz GFVHEWFDAPTMMF-SMDDNHRTSA-N 1 1 257.381 4.103 10 0 CIAEMO CC(C)c1ccc([C@H](C)[NH2+]Cc2c(Cl)cnn2C)cc1 ZINC000188988073 264261535 /nfs/dbraw/zinc/26/15/35/264261535.db2.gz WLHLLVXOPKGDCP-LBPRGKRZSA-N 1 1 291.826 4.048 10 0 CIAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2cccc3cccnc32)c1 ZINC000116288007 267136183 /nfs/dbraw/zinc/13/61/83/267136183.db2.gz YOBBVZBHEKMHSB-INIZCTEOSA-N 1 1 278.355 4.165 10 0 CIAEMO C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000048777458 328320477 /nfs/dbraw/zinc/32/04/77/328320477.db2.gz XYOLHSMZCDQRFS-LLVKDONJSA-N 1 1 285.778 4.067 10 0 CIAEMO C(=C\c1ccccc1)\C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000255906904 327028153 /nfs/dbraw/zinc/02/81/53/327028153.db2.gz VDSDSCGMAXXFMX-CXOKCQFOSA-N 1 1 284.428 4.384 10 0 CIAEMO C(=C\c1ccccc1)\C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000255906904 327028154 /nfs/dbraw/zinc/02/81/54/327028154.db2.gz VDSDSCGMAXXFMX-CXOKCQFOSA-N 1 1 284.428 4.384 10 0 CIAEMO C[C@@H](CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000193965314 329064142 /nfs/dbraw/zinc/06/41/42/329064142.db2.gz CEFGAKNYHSSBEU-MAUKXSAKSA-N 1 1 283.419 4.131 10 0 CIAEMO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnn(C(C)C)c2)o1 ZINC000179696119 329211492 /nfs/dbraw/zinc/21/14/92/329211492.db2.gz VEJFBOQHLNVOJL-INIZCTEOSA-N 1 1 287.407 4.093 10 0 CIAEMO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnn(C(C)C)c2)o1 ZINC000179696119 329211494 /nfs/dbraw/zinc/21/14/94/329211494.db2.gz VEJFBOQHLNVOJL-INIZCTEOSA-N 1 1 287.407 4.093 10 0 CIAEMO Clc1ccsc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000192981277 329437975 /nfs/dbraw/zinc/43/79/75/329437975.db2.gz PQLBFMXDTIPYSS-LBPRGKRZSA-N 1 1 279.792 4.015 10 0 CIAEMO Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000177673185 333061538 /nfs/dbraw/zinc/06/15/38/333061538.db2.gz YMFBSBMEODPJNW-SMDDNHRTSA-N 1 1 287.300 4.087 10 0 CIAEMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2)o1 ZINC000220928211 333170959 /nfs/dbraw/zinc/17/09/59/333170959.db2.gz JAIPAKHUBMFZAP-UONOGXRCSA-N 1 1 258.365 4.012 10 0 CIAEMO CCc1ccc([C@@H](C)[NH2+]Cc2ncccc2Cl)cc1 ZINC000528430562 333436878 /nfs/dbraw/zinc/43/68/78/333436878.db2.gz JIJDJQKHJXGFGT-GFCCVEGCSA-N 1 1 274.795 4.148 10 0 CIAEMO C[C@@H]([NH2+]Cc1ncccc1Cl)c1ccc(Cl)s1 ZINC000528445521 333438344 /nfs/dbraw/zinc/43/83/44/333438344.db2.gz ZVHTXUJCVDTBJH-MRVPVSSYSA-N 1 1 287.215 4.301 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2F)o1 ZINC000125117721 333564055 /nfs/dbraw/zinc/56/40/55/333564055.db2.gz MSXAEBFQHNVNFL-JTQLQIEISA-N 1 1 267.731 4.231 10 0 CIAEMO FC(F)(F)[C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000079618303 334158354 /nfs/dbraw/zinc/15/83/54/334158354.db2.gz AYQHFMHCKAUCEF-GFCCVEGCSA-N 1 1 289.366 4.053 10 0 CIAEMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000245507161 334198679 /nfs/dbraw/zinc/19/86/79/334198679.db2.gz POCSYXBGNKIHBZ-NQBHXWOUSA-N 1 1 287.325 4.177 10 0 CIAEMO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000245507161 334198681 /nfs/dbraw/zinc/19/86/81/334198681.db2.gz POCSYXBGNKIHBZ-NQBHXWOUSA-N 1 1 287.325 4.177 10 0 CIAEMO CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000248472706 334303491 /nfs/dbraw/zinc/30/34/91/334303491.db2.gz WJLKTLRPYQKTFP-CRAIPNDOSA-N 1 1 297.446 4.094 10 0 CIAEMO CCCC[N@@H+](Cc1ccc(Cl)cc1N)[C@H](C)CC ZINC000050443186 520543316 /nfs/dbraw/zinc/54/33/16/520543316.db2.gz NDMIPGFEVNTOSR-GFCCVEGCSA-N 1 1 268.832 4.323 10 0 CIAEMO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000139060023 519445543 /nfs/dbraw/zinc/44/55/43/519445543.db2.gz LDOLTRLQVNBVKS-KGLIPLIRSA-N 1 1 271.408 4.020 10 0 CIAEMO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000139060207 519446747 /nfs/dbraw/zinc/44/67/47/519446747.db2.gz LDOLTRLQVNBVKS-ZIAGYGMSSA-N 1 1 271.408 4.020 10 0 CIAEMO CC[N@@H+](Cc1nc2sccc2c(Cl)n1)C1CCCC1 ZINC000050839965 521457505 /nfs/dbraw/zinc/45/75/05/521457505.db2.gz AKILDFAASSAKNR-UHFFFAOYSA-N 1 1 295.839 4.109 10 0 CIAEMO CCC(CC)n1ccc(C[NH2+][C@H](C)c2cccs2)n1 ZINC000085173135 521640645 /nfs/dbraw/zinc/64/06/45/521640645.db2.gz BRROXNQGCKXJBZ-GFCCVEGCSA-N 1 1 277.437 4.157 10 0 CIAEMO CC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000062352065 523029800 /nfs/dbraw/zinc/02/98/00/523029800.db2.gz ORFBISZWRZOZCZ-ROUUACIJSA-N 1 1 289.463 4.282 10 0 CIAEMO Cc1cc(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)no1 ZINC000044296159 524765820 /nfs/dbraw/zinc/76/58/20/524765820.db2.gz OTPKTFLAFQUMPS-AWEZNQCLSA-N 1 1 272.392 4.032 10 0 CIAEMO C[C@]([NH3+])(c1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000052879260 525150468 /nfs/dbraw/zinc/15/04/68/525150468.db2.gz COJMRTLYFHPLDT-OAHLLOKOSA-N 1 1 288.803 4.172 10 0 CIAEMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)c(F)c1 ZINC000037280632 525159814 /nfs/dbraw/zinc/15/98/14/525159814.db2.gz YBZBWARKNGTKQN-NEPJUHHUSA-N 1 1 277.339 4.148 10 0 CIAEMO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)c(F)c1 ZINC000037280625 525334755 /nfs/dbraw/zinc/33/47/55/525334755.db2.gz YBZBWARKNGTKQN-NWDGAFQWSA-N 1 1 277.339 4.148 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000138977986 525622715 /nfs/dbraw/zinc/62/27/15/525622715.db2.gz IUDLKRYDDWLLHX-OLZOCXBDSA-N 1 1 271.408 4.119 10 0 CIAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)c1ccccc1Cl ZINC000053980620 525639486 /nfs/dbraw/zinc/63/94/86/525639486.db2.gz MCPUFUFRWAEPLM-QWHCGFSZSA-N 1 1 279.811 4.033 10 0 CIAEMO Cc1ccsc1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000127700467 525843755 /nfs/dbraw/zinc/84/37/55/525843755.db2.gz RIYYUXWMUXBRJG-LBPRGKRZSA-N 1 1 278.446 4.240 10 0 CIAEMO Cc1ccsc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000127700467 525843761 /nfs/dbraw/zinc/84/37/61/525843761.db2.gz RIYYUXWMUXBRJG-LBPRGKRZSA-N 1 1 278.446 4.240 10 0 CIAEMO CCCC[N@@H+]1CC=C(c2nc3ccccc3s2)CC1 ZINC000226250841 567038999 /nfs/dbraw/zinc/03/89/99/567038999.db2.gz ZJAZBNHZUFOKPQ-UHFFFAOYSA-N 1 1 272.417 4.186 10 0 CIAEMO CC[N@@H+](CCCc1ccccc1)CCCc1ccc(O)cc1 ZINC000001493460 567837693 /nfs/dbraw/zinc/83/76/93/567837693.db2.gz LSJBZUMLJSLQMF-UHFFFAOYSA-N 1 1 297.442 4.280 10 0 in-vitro CIAEMO CCC[N@@H+]1CC=C(c2nc3cc(Cl)c(C)cc3[nH]2)CC1 ZINC000073636294 567893103 /nfs/dbraw/zinc/89/31/03/567893103.db2.gz BQINJICYQKQWHE-UHFFFAOYSA-N 1 1 289.810 4.024 10 0 CIAEMO CCC[N@H+]1CC=C(c2nc3cc(C)c(Cl)cc3[nH]2)CC1 ZINC000073636294 567893105 /nfs/dbraw/zinc/89/31/05/567893105.db2.gz BQINJICYQKQWHE-UHFFFAOYSA-N 1 1 289.810 4.024 10 0 CIAEMO CCC[N@@H+]1CC=C(c2nc3cc(C)c(Cl)cc3[nH]2)CC1 ZINC000073636294 567893106 /nfs/dbraw/zinc/89/31/06/567893106.db2.gz BQINJICYQKQWHE-UHFFFAOYSA-N 1 1 289.810 4.024 10 0 CIAEMO CCC[N@@H+]1CC=C(c2nc3cc(C(C)C)ccc3o2)CC1 ZINC000073636266 567893196 /nfs/dbraw/zinc/89/31/96/567893196.db2.gz MFWDGWBJRJRGTJ-UHFFFAOYSA-N 1 1 284.403 4.450 10 0 CIAEMO CC[N@@H+](C)Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000037553832 567928225 /nfs/dbraw/zinc/92/82/25/567928225.db2.gz SGJLMUUKAHKQBX-UHFFFAOYSA-N 1 1 294.320 4.219 10 0 CIAEMO Clc1ccc(C[C@H]2CC[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000000000172 169502588 /nfs/dbraw/zinc/50/25/88/169502588.db2.gz IQBKPMNLEWNTCN-ZBFHGGJFSA-N 1 1 263.812 4.147 10 0 in-man CIAEMO CC[N@H+]1Cc2cccc(CNc3ccc(C)c(F)c3)c2C1 ZINC000006809082 170245701 /nfs/dbraw/zinc/24/57/01/170245701.db2.gz OZZQXBNGLFBYKX-UHFFFAOYSA-N 1 1 284.378 4.082 10 0 CIAEMO CC(C)c1ccc([C@@H](CN)[N@@H+](C)CC2CCCCC2)cc1 ZINC000020226078 171090640 /nfs/dbraw/zinc/09/06/40/171090640.db2.gz UINFYOUHFSOIMR-LJQANCHMSA-N 1 1 288.479 4.322 10 0 CIAEMO CC(C)c1ccc([C@@H](C[NH3+])N(C)CC2CCCCC2)cc1 ZINC000020226078 171090643 /nfs/dbraw/zinc/09/06/43/171090643.db2.gz UINFYOUHFSOIMR-LJQANCHMSA-N 1 1 288.479 4.322 10 0 CIAEMO CC(C)c1ccc([C@H](CN)[N@@H+](C)CC2CCCCC2)cc1 ZINC000020226079 171090669 /nfs/dbraw/zinc/09/06/69/171090669.db2.gz UINFYOUHFSOIMR-IBGZPJMESA-N 1 1 288.479 4.322 10 0 CIAEMO CC(C)c1ccc([C@H](C[NH3+])N(C)CC2CCCCC2)cc1 ZINC000020226079 171090672 /nfs/dbraw/zinc/09/06/72/171090672.db2.gz UINFYOUHFSOIMR-IBGZPJMESA-N 1 1 288.479 4.322 10 0 CIAEMO C[C@@H](Nc1[nH+]cccc1N)c1ccc(Cl)cc1Cl ZINC000020381410 171172519 /nfs/dbraw/zinc/17/25/19/171172519.db2.gz SUYRTTSSYYTPNS-MRVPVSSYSA-N 1 1 282.174 4.144 10 0 CIAEMO [NH3+][C@@H](c1cc2cc(Cl)ccc2o1)c1ccccc1 ZINC000020389668 171178752 /nfs/dbraw/zinc/17/87/52/171178752.db2.gz BJJUECSLYIPBPD-OAHLLOKOSA-N 1 1 257.720 4.134 10 0 CIAEMO CC(C)c1ccc([C@@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020549333 171246244 /nfs/dbraw/zinc/24/62/44/171246244.db2.gz XJZBIXZCKGVCIW-DAYGRLMNSA-N 1 1 274.452 4.073 10 0 CIAEMO [NH3+][C@H](c1cc2ccccc2o1)c1ccc(F)c(Cl)c1 ZINC000020592726 171262036 /nfs/dbraw/zinc/26/20/36/171262036.db2.gz XOLBVZQZTAUMKI-HNNXBMFYSA-N 1 1 275.710 4.273 10 0 CIAEMO CC(C)c1ccc([C@@H](N)C[N@@H+](C)C2CCCCC2)cc1 ZINC000021022292 171290699 /nfs/dbraw/zinc/29/06/99/171290699.db2.gz QYFOXCVSZPWKLB-SFHVURJKSA-N 1 1 274.452 4.074 10 0 CIAEMO CC(C)Cc1ccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000021801205 171326211 /nfs/dbraw/zinc/32/62/11/171326211.db2.gz VQXSUTVIYHXFFC-INIZCTEOSA-N 1 1 290.495 4.124 10 0 CIAEMO CC(C)Cc1ccc([C@H](C)NCC(C)(C)C[NH+](C)C)cc1 ZINC000021801205 171326213 /nfs/dbraw/zinc/32/62/13/171326213.db2.gz VQXSUTVIYHXFFC-INIZCTEOSA-N 1 1 290.495 4.124 10 0 CIAEMO C[N@@H+]([C@@H](CN)c1ccc2ccccc2c1)C1CCCCC1 ZINC000021805225 171327124 /nfs/dbraw/zinc/32/71/24/171327124.db2.gz KZWYNBKCHWBRMY-IBGZPJMESA-N 1 1 282.431 4.104 10 0 CIAEMO Cc1ccc(OC[C@H]([NH3+])c2cc3ccccc3o2)cc1C ZINC000021816391 171332447 /nfs/dbraw/zinc/33/24/47/171332447.db2.gz VHUZHDHKIMWDNK-INIZCTEOSA-N 1 1 281.355 4.128 10 0 CIAEMO CC[N@@H+](C1CCCCC1)C1(CN)CCCCCCC1 ZINC000035176728 172029980 /nfs/dbraw/zinc/02/99/80/172029980.db2.gz TWOSMGYYLSYWEK-UHFFFAOYSA-N 1 1 266.473 4.083 10 0 CIAEMO CC[C@@H](C)C[C@@](CC)(CN)[N@@H+](CC)C1CCCCC1 ZINC000035176731 172030122 /nfs/dbraw/zinc/03/01/22/172030122.db2.gz NKYORAGWJSVATB-WBVHZDCISA-N 1 1 268.489 4.185 10 0 CIAEMO C[NH2+][C@H](c1ccc(C)o1)c1cc(Cl)sc1Cl ZINC000035502039 172236194 /nfs/dbraw/zinc/23/61/94/172236194.db2.gz BVPNMCIDIPBKRX-JTQLQIEISA-N 1 1 276.188 4.265 10 0 CIAEMO CC[NH2+][C@H](c1ccc(F)cc1)c1c(F)cccc1Cl ZINC000035540125 172246579 /nfs/dbraw/zinc/24/65/79/172246579.db2.gz YSONHFRLRXPHRT-OAHLLOKOSA-N 1 1 281.733 4.317 10 0 CIAEMO CC[NH2+][C@@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000035559205 172264013 /nfs/dbraw/zinc/26/40/13/172264013.db2.gz JDNUFWKNZKENJR-JTQLQIEISA-N 1 1 276.188 4.347 10 0 CIAEMO C[C@H](Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000037208850 173030170 /nfs/dbraw/zinc/03/01/70/173030170.db2.gz IMMHVFZYCFEDQA-QWRGUYRKSA-N 1 1 287.234 4.136 10 0 CIAEMO CCC[N@H+]1CCC[C@@H]([C@@H](C)Nc2ccccc2Cl)C1 ZINC000037209973 173031285 /nfs/dbraw/zinc/03/12/85/173031285.db2.gz YECPRLGYOKCCHL-ZIAGYGMSSA-N 1 1 280.843 4.262 10 0 CIAEMO CCCN(CCC)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424795 173199497 /nfs/dbraw/zinc/19/94/97/173199497.db2.gz ZTKKNEHYSOHUTE-AWEZNQCLSA-N 1 1 289.250 4.115 10 0 CIAEMO C[C@@H](CN[C@@H](C)c1ccc(F)c(Cl)c1)[NH+]1CCCCC1 ZINC000038028792 174018733 /nfs/dbraw/zinc/01/87/33/174018733.db2.gz CKRVPSOKRDHKDD-STQMWFEESA-N 1 1 298.833 4.004 10 0 CIAEMO CSc1ccc([C@H](C)[N@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032662 174028226 /nfs/dbraw/zinc/02/82/26/174028226.db2.gz AGRQVAKBHSHHAL-ZDUSSCGKSA-N 1 1 298.455 4.110 10 0 CIAEMO Cc1ccc(C)c([C@H](C)[N@H+]2CCc3c(N)cccc3C2)c1 ZINC000038032559 174028682 /nfs/dbraw/zinc/02/86/82/174028682.db2.gz RWOGXPAYKCVQHM-HNNXBMFYSA-N 1 1 280.415 4.005 10 0 CIAEMO CC[C@@H](c1ccc(C)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032512 174028701 /nfs/dbraw/zinc/02/87/01/174028701.db2.gz QEKKADVIEXBQMR-IBGZPJMESA-N 1 1 280.415 4.087 10 0 CIAEMO Cc1cc([C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)c(C)s1 ZINC000038041898 174044506 /nfs/dbraw/zinc/04/45/06/174044506.db2.gz XLDKJKBNFISIDB-UKRRQHHQSA-N 1 1 294.508 4.138 10 0 CIAEMO CC(C)C[N@@H+]([C@@H](C)C(=O)c1cccc(Cl)c1)C1CC1 ZINC000042558429 174795151 /nfs/dbraw/zinc/79/51/51/174795151.db2.gz FFXMMELZFQZSMM-LBPRGKRZSA-N 1 1 279.811 4.032 10 0 CIAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCC(=O)c1cccs1 ZINC000042608967 174821612 /nfs/dbraw/zinc/82/16/12/174821612.db2.gz DOCFGZZNLVTOFC-KGLIPLIRSA-N 1 1 279.449 4.222 10 0 CIAEMO CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000043687086 175094439 /nfs/dbraw/zinc/09/44/39/175094439.db2.gz GEFQOTUFAKMJGG-SNVBAGLBSA-N 1 1 288.254 4.133 10 0 CIAEMO CC[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000043687087 175094696 /nfs/dbraw/zinc/09/46/96/175094696.db2.gz GEFQOTUFAKMJGG-JTQLQIEISA-N 1 1 288.254 4.133 10 0 CIAEMO C[C@@H]([N@@H+](C)Cc1cc(Br)cs1)C(C)(C)C ZINC000043687315 175094846 /nfs/dbraw/zinc/09/48/46/175094846.db2.gz IUNUOEWXUDXDJK-SECBINFHSA-N 1 1 290.270 4.377 10 0 CIAEMO CC(C)c1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000045046147 175296299 /nfs/dbraw/zinc/29/62/99/175296299.db2.gz DFRCHRWDOJXNPY-UHFFFAOYSA-N 1 1 265.360 4.298 10 0 CIAEMO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000080265752 260179295 /nfs/dbraw/zinc/17/92/95/260179295.db2.gz LUSXYWZXBUUFNB-QWHCGFSZSA-N 1 1 290.432 4.344 10 0 CIAEMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)cs1 ZINC000160170982 260947646 /nfs/dbraw/zinc/94/76/46/260947646.db2.gz MZXIFENWNOSSLL-NWDGAFQWSA-N 1 1 260.406 4.172 10 0 CIAEMO Cc1nc([C@@H]2CCC[N@H+]2CCCc2ccccc2)cs1 ZINC000189813750 264327411 /nfs/dbraw/zinc/32/74/11/264327411.db2.gz FKVSTHBMIDOMSH-KRWDZBQOSA-N 1 1 286.444 4.221 10 0 CIAEMO CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116291883 267137741 /nfs/dbraw/zinc/13/77/41/267137741.db2.gz NZUVJCYGHDJQGN-OAHLLOKOSA-N 1 1 271.360 4.015 10 0 CIAEMO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1cccs1 ZINC000178610938 327794951 /nfs/dbraw/zinc/79/49/51/327794951.db2.gz FBRGOJVDRGGVSJ-SSDOTTSWSA-N 1 1 292.351 4.074 10 0 CIAEMO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)c1cscn1 ZINC000534328667 328045940 /nfs/dbraw/zinc/04/59/40/328045940.db2.gz FEFZWNKCZWEIAY-DOMZBBRYSA-N 1 1 272.417 4.261 10 0 CIAEMO Cc1ccc[nH+]c1NCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000184828716 329263282 /nfs/dbraw/zinc/26/32/82/329263282.db2.gz BRWNMJUWQRLRFS-UHFFFAOYSA-N 1 1 298.777 4.046 10 0 CIAEMO C[C@@H]([NH2+]Cc1cccc(O)c1Cl)c1ccc(F)c(F)c1 ZINC000328079490 330311874 /nfs/dbraw/zinc/31/18/74/330311874.db2.gz AHECRYKPAQDSRU-SECBINFHSA-N 1 1 297.732 4.175 10 0 CIAEMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000245855596 334221663 /nfs/dbraw/zinc/22/16/63/334221663.db2.gz NLICGOFHNBDKOS-YOEHRIQHSA-N 1 1 285.387 4.229 10 0 CIAEMO COc1cccc([C@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000247226883 334277667 /nfs/dbraw/zinc/27/76/67/334277667.db2.gz RRUJJXKJNCKNEJ-WCQYABFASA-N 1 1 287.325 4.031 10 0 CIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1C ZINC000248063259 334294503 /nfs/dbraw/zinc/29/45/03/334294503.db2.gz LZQASIFRRSRISI-YJBOKZPZSA-N 1 1 297.446 4.243 10 0 CIAEMO C[C@H](CC[N@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000248752576 334316012 /nfs/dbraw/zinc/31/60/12/334316012.db2.gz CEFGAKNYHSSBEU-QAPCUYQASA-N 1 1 283.419 4.131 10 0 CIAEMO C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249730832 334339524 /nfs/dbraw/zinc/33/95/24/334339524.db2.gz SYGDLWJEVYANNP-GHMZBOCLSA-N 1 1 275.289 4.161 10 0 CIAEMO Cc1cccc([C@@H](C)[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000089670764 334348503 /nfs/dbraw/zinc/34/85/03/334348503.db2.gz PJDBEJHOGLNGPW-CZUORRHYSA-N 1 1 299.418 4.303 10 0 CIAEMO CC(C)(C)c1[nH+]c2cc(N)ccc2n1-c1ccccc1F ZINC000052842310 519105937 /nfs/dbraw/zinc/10/59/37/519105937.db2.gz MXBPFBXOTXSCMS-UHFFFAOYSA-N 1 1 283.350 4.044 10 0 CIAEMO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2nccs2)cc1 ZINC000041011932 519445651 /nfs/dbraw/zinc/44/56/51/519445651.db2.gz TZIPCIGLAXBJMP-CYBMUJFWSA-N 1 1 274.433 4.192 10 0 CIAEMO CCCCCC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062705177 520080891 /nfs/dbraw/zinc/08/08/91/520080891.db2.gz OZVMUWLPCMDUSH-RBUKOAKNSA-N 1 1 288.479 4.238 10 0 CIAEMO CCCCCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062705177 520080902 /nfs/dbraw/zinc/08/09/02/520080902.db2.gz OZVMUWLPCMDUSH-RBUKOAKNSA-N 1 1 288.479 4.238 10 0 CIAEMO CCCCc1nc(Cl)c(C[NH2+][C@H](C)c2ccccc2)[nH]1 ZINC000088398637 521304428 /nfs/dbraw/zinc/30/44/28/521304428.db2.gz FPFABWWDWVBSMG-GFCCVEGCSA-N 1 1 291.826 4.257 10 0 CIAEMO CCC(CC)C[N@@H+](CC)Cc1nc(NC)ccc1Cl ZINC000061638428 521521118 /nfs/dbraw/zinc/52/11/18/521521118.db2.gz HMBNCPZCGCZZHG-UHFFFAOYSA-N 1 1 283.847 4.035 10 0 CIAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000062352078 524363673 /nfs/dbraw/zinc/36/36/73/524363673.db2.gz DHBSSTKOJOGITQ-DAYGRLMNSA-N 1 1 289.463 4.280 10 0 CIAEMO Cc1cccc(N[C@@H](C)c2ccc(Cl)s2)[nH+]1 ZINC000042590658 524696327 /nfs/dbraw/zinc/69/63/27/524696327.db2.gz FCACRQGBLWKIDC-VIFPVBQESA-N 1 1 252.770 4.278 10 0 CIAEMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)c(F)c1 ZINC000037280630 525162679 /nfs/dbraw/zinc/16/26/79/525162679.db2.gz YBZBWARKNGTKQN-VXGBXAGGSA-N 1 1 277.339 4.148 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)c1ncc[nH]1 ZINC000138978070 525606945 /nfs/dbraw/zinc/60/69/45/525606945.db2.gz IUDLKRYDDWLLHX-QWHCGFSZSA-N 1 1 271.408 4.119 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nccs2)c(C)c1 ZINC000080266490 525746674 /nfs/dbraw/zinc/74/66/74/525746674.db2.gz LPJOSDRHJXZUJQ-CHWSQXEVSA-N 1 1 260.406 4.172 10 0 CIAEMO Fc1cc(Cl)ccc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000157434094 526302484 /nfs/dbraw/zinc/30/24/84/526302484.db2.gz NGAXWHCPOBCLHQ-HNNXBMFYSA-N 1 1 291.753 4.093 10 0 CIAEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccccc1 ZINC000065743377 566880240 /nfs/dbraw/zinc/88/02/40/566880240.db2.gz RKSYCUHHJHUZQX-QFBILLFUSA-N 1 1 280.415 4.009 10 0 in-vitro CIAEMO CCCC[N@@H+]1CC=C(c2nc3cc(C)ccc3o2)CC1 ZINC000226250886 567039438 /nfs/dbraw/zinc/03/94/38/567039438.db2.gz WATJMGSFSRMWOU-UHFFFAOYSA-N 1 1 270.376 4.025 10 0 CIAEMO Cc1cc(-n2cccc2)ccc1[N@H+]1CCCC[C@@H]1C ZINC000226275886 567040681 /nfs/dbraw/zinc/04/06/81/567040681.db2.gz FEDBZAJLQUOGHQ-HNNXBMFYSA-N 1 1 254.377 4.165 10 0 CIAEMO Cc1cc(-n2cccc2)ccc1[N@@H+]1CCCC[C@@H]1C ZINC000226275886 567040688 /nfs/dbraw/zinc/04/06/88/567040688.db2.gz FEDBZAJLQUOGHQ-HNNXBMFYSA-N 1 1 254.377 4.165 10 0 CIAEMO Clc1cc([C@@H]2[NH2+]CCc3ccsc32)c(Cl)s1 ZINC000712526110 567851340 /nfs/dbraw/zinc/85/13/40/567851340.db2.gz ASEQJCPIXJOCFT-VIFPVBQESA-N 1 1 290.240 4.352 10 0 CIAEMO CCC[N@@H+]1CC=C(c2nc3c(cccc3C)s2)CC1 ZINC000073638860 567893638 /nfs/dbraw/zinc/89/36/38/567893638.db2.gz WASWIQBYFVNHAD-UHFFFAOYSA-N 1 1 272.417 4.104 10 0 CIAEMO c1ccc([C@H]2C[N@H+](CC3CC3)Cc3ccccc3O2)cc1 ZINC000012132172 567945718 /nfs/dbraw/zinc/94/57/18/567945718.db2.gz VIKDLBDNQGDXMM-LJQANCHMSA-N 1 1 279.383 4.032 10 0 CIAEMO Cc1ccsc1C[N@@H+](Cc1ccccn1)CC(C)C ZINC000055308745 570242559 /nfs/dbraw/zinc/24/25/59/570242559.db2.gz NAMSAGCPOCMDAR-UHFFFAOYSA-N 1 1 274.433 4.110 10 0 CIAEMO C[NH2+][C@H](c1ccc(F)cc1F)c1ccc(Cl)cc1F ZINC000102091886 185770282 /nfs/dbraw/zinc/77/02/82/185770282.db2.gz LBVSLZJIXJFKNG-AWEZNQCLSA-N 1 1 285.696 4.066 10 0 CIAEMO Cc1ncsc1CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000172525946 260015318 /nfs/dbraw/zinc/01/53/18/260015318.db2.gz AUVFLAPSJHPCKI-LBPRGKRZSA-N 1 1 294.851 4.340 10 0 CIAEMO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)c(C)s1 ZINC000020126371 171010371 /nfs/dbraw/zinc/01/03/71/171010371.db2.gz FJESHLLHNJGQPN-RYUDHWBXSA-N 1 1 274.433 4.480 10 0 CIAEMO Clc1ccc(C[NH2+]Cc2nc3ccccc3s2)s1 ZINC000020136399 171023735 /nfs/dbraw/zinc/02/37/35/171023735.db2.gz USHCNGLGEURNJK-UHFFFAOYSA-N 1 1 294.832 4.301 10 0 CIAEMO CC(C)c1cccc(N2Cc3ccccc3C2=[NH2+])c1 ZINC000020303890 171140205 /nfs/dbraw/zinc/14/02/05/171140205.db2.gz XOTUKRAYEVOSOE-UHFFFAOYSA-N 1 1 250.345 4.156 10 0 CIAEMO COc1ccc2oc([C@H]([NH3+])c3ccc(Cl)cc3)cc2c1 ZINC000020389625 171178960 /nfs/dbraw/zinc/17/89/60/171178960.db2.gz ZLTFLHNWPZBADG-MRXNPFEDSA-N 1 1 287.746 4.143 10 0 CIAEMO CCc1ccc([C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000020546333 171244137 /nfs/dbraw/zinc/24/41/37/171244137.db2.gz KKGJYPTUVLSVPC-AWEZNQCLSA-N 1 1 288.479 4.209 10 0 CIAEMO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C(C)(C)C)cc1 ZINC000020547122 171244553 /nfs/dbraw/zinc/24/45/53/171244553.db2.gz NBKBEFBDGSMCRY-OAHLLOKOSA-N 1 1 290.495 4.223 10 0 CIAEMO C[C@@H](NCC(C)(C)C[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC000020547122 171244555 /nfs/dbraw/zinc/24/45/55/171244555.db2.gz NBKBEFBDGSMCRY-OAHLLOKOSA-N 1 1 290.495 4.223 10 0 CIAEMO CC[N@@H+](C[C@@H](N)c1cc2ccccc2o1)C1CCCCC1 ZINC000020557010 171250516 /nfs/dbraw/zinc/25/05/16/171250516.db2.gz BSJTXTVIUOSVNW-MRXNPFEDSA-N 1 1 286.419 4.087 10 0 CIAEMO Cc1cc([C@@H]([NH3+])c2cc3cc(Cl)ccc3o2)c(C)o1 ZINC000020592824 171262247 /nfs/dbraw/zinc/26/22/47/171262247.db2.gz MQZHMPUPSZDJJS-OAHLLOKOSA-N 1 1 275.735 4.344 10 0 CIAEMO Cc1c2ccccc2oc1[C@H]([NH3+])c1ccccc1Cl ZINC000020592929 171262613 /nfs/dbraw/zinc/26/26/13/171262613.db2.gz QHQUMEDWTSQIJK-OAHLLOKOSA-N 1 1 271.747 4.443 10 0 CIAEMO Clc1ccccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020595871 171264309 /nfs/dbraw/zinc/26/43/09/171264309.db2.gz SYENNRBVQNNNDD-OAHLLOKOSA-N 1 1 286.806 4.026 10 0 CIAEMO CCCC[N@@H+](CC)C[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021515742 171312644 /nfs/dbraw/zinc/31/26/44/171312644.db2.gz IQLZQXKARDKFQI-QGZVFWFLSA-N 1 1 276.468 4.106 10 0 CIAEMO CCCCN(CC)C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021515742 171312646 /nfs/dbraw/zinc/31/26/46/171312646.db2.gz IQLZQXKARDKFQI-QGZVFWFLSA-N 1 1 276.468 4.106 10 0 CIAEMO CC[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C)cc1 ZINC000021800662 171325960 /nfs/dbraw/zinc/32/59/60/171325960.db2.gz GFFOFUVSWXRRKH-HKUYNNGSSA-N 1 1 288.479 4.300 10 0 CIAEMO CC[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C)cc1 ZINC000021800662 171325961 /nfs/dbraw/zinc/32/59/61/171325961.db2.gz GFFOFUVSWXRRKH-HKUYNNGSSA-N 1 1 288.479 4.300 10 0 CIAEMO Cc1ccc(OC[C@@H]([NH3+])c2cc3ccccc3o2)cc1C ZINC000021816389 171332516 /nfs/dbraw/zinc/33/25/16/171332516.db2.gz VHUZHDHKIMWDNK-MRXNPFEDSA-N 1 1 281.355 4.128 10 0 CIAEMO CCCC1(CCC)CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC000022444918 171387559 /nfs/dbraw/zinc/38/75/59/171387559.db2.gz DMKGSZCPXQLVOU-UHFFFAOYSA-N 1 1 294.527 4.401 10 0 CIAEMO Cc1noc(C)c1C[NH2+][C@@H](c1cccs1)c1ccccc1 ZINC000035012282 171929439 /nfs/dbraw/zinc/92/94/39/171929439.db2.gz LCJPTQUCGVUEKY-QGZVFWFLSA-N 1 1 298.411 4.232 10 0 CIAEMO C[NH2+][C@H](c1ccc(F)c(F)c1)c1c(F)cccc1Cl ZINC000035494801 172227783 /nfs/dbraw/zinc/22/77/83/172227783.db2.gz JSZMETGRZUCANX-CQSZACIVSA-N 1 1 285.696 4.066 10 0 CIAEMO C[NH2+][C@H](c1ccoc1C)c1cc(Cl)sc1Cl ZINC000035502061 172236292 /nfs/dbraw/zinc/23/62/92/172236292.db2.gz FBJPOMJEOJGEIW-SNVBAGLBSA-N 1 1 276.188 4.265 10 0 CIAEMO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000035738834 172392612 /nfs/dbraw/zinc/39/26/12/172392612.db2.gz XZOIKEHUQVGSCH-OLZOCXBDSA-N 1 1 259.349 4.090 10 0 CIAEMO CC[N@H+]1CCC[C@H]([C@@H](C)Nc2cccc(Cl)c2C)C1 ZINC000037209171 173030083 /nfs/dbraw/zinc/03/00/83/173030083.db2.gz SMPANNYXYAGHJM-KGLIPLIRSA-N 1 1 280.843 4.181 10 0 CIAEMO C[C@H](Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000037209187 173030992 /nfs/dbraw/zinc/03/09/92/173030992.db2.gz NUPNEZHUQYMBLN-WDEREUQCSA-N 1 1 287.234 4.136 10 0 CIAEMO Cc1cc(C)c([C@H](C)Nc2ccc(F)cc2)c(C)[nH+]1 ZINC000037210657 173033200 /nfs/dbraw/zinc/03/32/00/173033200.db2.gz OBOQPGLBTBHRQG-ZDUSSCGKSA-N 1 1 258.340 4.319 10 0 CIAEMO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000037260451 173070589 /nfs/dbraw/zinc/07/05/89/173070589.db2.gz OOCYCENHPSRMSE-OLZOCXBDSA-N 1 1 259.349 4.008 10 0 CIAEMO CC[N@@H+]([C@@H](C)C(=O)c1cccc(Cl)c1)C1CCCC1 ZINC000037337431 173138530 /nfs/dbraw/zinc/13/85/30/173138530.db2.gz CGIXVBLPVHPDKB-LBPRGKRZSA-N 1 1 279.811 4.176 10 0 CIAEMO CCCN(CCC)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424796 173199285 /nfs/dbraw/zinc/19/92/85/173199285.db2.gz ZTKKNEHYSOHUTE-CQSZACIVSA-N 1 1 289.250 4.115 10 0 CIAEMO Cc1ccc(N[C@H](C)c2cccc(Br)c2)[nH+]c1 ZINC000038012656 173982495 /nfs/dbraw/zinc/98/24/95/173982495.db2.gz DHLVHHVAGRLWAZ-LLVKDONJSA-N 1 1 291.192 4.326 10 0 CIAEMO Cc1ccc([C@H](C)[N@H+]2CCc3c(N)cccc3C2)c(C)c1 ZINC000038032479 174028183 /nfs/dbraw/zinc/02/81/83/174028183.db2.gz RKMXSXKMWBRBDY-HNNXBMFYSA-N 1 1 280.415 4.005 10 0 CIAEMO Cc1ccc([C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC000038041858 174044583 /nfs/dbraw/zinc/04/45/83/174044583.db2.gz VFMQQUFAAOPSEJ-CRAIPNDOSA-N 1 1 288.479 4.076 10 0 CIAEMO Cc1ccc([C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)cc1C ZINC000038041860 174044587 /nfs/dbraw/zinc/04/45/87/174044587.db2.gz VFMQQUFAAOPSEJ-MAUKXSAKSA-N 1 1 288.479 4.076 10 0 CIAEMO CC(C)C[N@H+](C(C)C)[C@@H](c1ccccc1Cl)[C@@H](C)N ZINC000043052765 174961043 /nfs/dbraw/zinc/96/10/43/174961043.db2.gz JDMKDZOZQCQNRJ-CZUORRHYSA-N 1 1 282.859 4.095 10 0 CIAEMO CC(C)C[N@@H+](C(C)C)[C@@H](c1ccccc1Cl)[C@@H](C)N ZINC000043052765 174961044 /nfs/dbraw/zinc/96/10/44/174961044.db2.gz JDMKDZOZQCQNRJ-CZUORRHYSA-N 1 1 282.859 4.095 10 0 CIAEMO C[N@H+]1C[C@@H]2CCCC[C@]2(c2ccc3ccccc3c2)C1 ZINC000072111462 176317659 /nfs/dbraw/zinc/31/76/59/176317659.db2.gz BIDMNSYJUSJTRE-RBUKOAKNSA-N 1 1 265.400 4.213 10 0 CIAEMO c1coc(C[NH2+]C2c3ccccc3CCc3ccccc32)c1 ZINC000179970593 260084393 /nfs/dbraw/zinc/08/43/93/260084393.db2.gz ATOBNQAYULQASL-UHFFFAOYSA-N 1 1 289.378 4.257 10 0 CIAEMO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000186083133 262079354 /nfs/dbraw/zinc/07/93/54/262079354.db2.gz NHZLPILQYZCMAS-WDEREUQCSA-N 1 1 265.378 4.070 10 0 CIAEMO CCOc1ccccc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116291886 267138010 /nfs/dbraw/zinc/13/80/10/267138010.db2.gz NZUVJCYGHDJQGN-HNNXBMFYSA-N 1 1 271.360 4.015 10 0 CIAEMO c1coc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3s2)c1 ZINC000172030912 329083637 /nfs/dbraw/zinc/08/36/37/329083637.db2.gz SLEQXRAZQDSGHQ-ZDUSSCGKSA-N 1 1 284.384 4.226 10 0 CIAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)c1 ZINC000172030912 329083639 /nfs/dbraw/zinc/08/36/39/329083639.db2.gz SLEQXRAZQDSGHQ-ZDUSSCGKSA-N 1 1 284.384 4.226 10 0 CIAEMO CCOC[C@@H](C)[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000044689435 330331944 /nfs/dbraw/zinc/33/19/44/330331944.db2.gz HGMWGVJMHVLFEU-RKDXNWHRSA-N 1 1 294.197 4.208 10 0 CIAEMO CC[C@@H]([NH2+]Cc1cc(Cl)cs1)c1nccs1 ZINC000086332917 330369444 /nfs/dbraw/zinc/36/94/44/330369444.db2.gz ZKOYPVAUMXEZLJ-SNVBAGLBSA-N 1 1 272.826 4.099 10 0 CIAEMO CC[C@H](Nc1cc[nH+]cc1Br)c1ccccc1 ZINC000163913620 331138838 /nfs/dbraw/zinc/13/88/38/331138838.db2.gz BXZXOJMQSBODTB-ZDUSSCGKSA-N 1 1 291.192 4.407 10 0 CIAEMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)c1cncs1 ZINC000164915197 331305465 /nfs/dbraw/zinc/30/54/65/331305465.db2.gz FBVJVVZPCYXUHF-ZDUSSCGKSA-N 1 1 287.432 4.225 10 0 CIAEMO CCc1nc(N[C@H](C)c2ccc(Cl)s2)cc(C)[nH+]1 ZINC000306055034 333003724 /nfs/dbraw/zinc/00/37/24/333003724.db2.gz QRYRWQBAYVFIRK-SECBINFHSA-N 1 1 281.812 4.235 10 0 CIAEMO C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507069 333254412 /nfs/dbraw/zinc/25/44/12/333254412.db2.gz WJYIMFMVGRPSGT-LBPRGKRZSA-N 1 1 289.810 4.004 10 0 CIAEMO Clc1csc(C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000194393197 333270619 /nfs/dbraw/zinc/27/06/19/333270619.db2.gz YLANBTWOJHJOEI-LBPRGKRZSA-N 1 1 267.781 4.332 10 0 CIAEMO Clc1csc(C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000194393197 333270621 /nfs/dbraw/zinc/27/06/21/333270621.db2.gz YLANBTWOJHJOEI-LBPRGKRZSA-N 1 1 267.781 4.332 10 0 CIAEMO CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)c1csc(Cl)c1 ZINC000230409188 333318163 /nfs/dbraw/zinc/31/81/63/333318163.db2.gz FUGSIRBMEMQBRS-AAEUAGOBSA-N 1 1 288.888 4.028 10 0 CIAEMO CCC(=O)CCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000232843963 333344003 /nfs/dbraw/zinc/34/40/03/333344003.db2.gz CAWPQOKMNCYKKS-GFCCVEGCSA-N 1 1 267.800 4.092 10 0 CIAEMO CCc1nc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2C)cs1 ZINC000245598032 334206261 /nfs/dbraw/zinc/20/62/61/334206261.db2.gz DIVKCULNKWQKFL-BWACUDIHSA-N 1 1 286.444 4.290 10 0 CIAEMO CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247573876 334286149 /nfs/dbraw/zinc/28/61/49/334286149.db2.gz HNNDDYJAYMTUKL-ROUUACIJSA-N 1 1 297.446 4.325 10 0 CIAEMO Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000248371283 334299380 /nfs/dbraw/zinc/29/93/80/334299380.db2.gz YMFBSBMEODPJNW-RISCZKNCSA-N 1 1 287.300 4.087 10 0 CIAEMO CCC[C@H](C)[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000249272357 334330733 /nfs/dbraw/zinc/33/07/33/334330733.db2.gz KVUFRAMAXHAUAE-QWHCGFSZSA-N 1 1 296.480 4.003 10 0 CIAEMO CCC[C@H](C)[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000249272357 334330734 /nfs/dbraw/zinc/33/07/34/334330734.db2.gz KVUFRAMAXHAUAE-QWHCGFSZSA-N 1 1 296.480 4.003 10 0 CIAEMO c1ccc2nc(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)ccc2c1 ZINC000177187933 335367985 /nfs/dbraw/zinc/36/79/85/335367985.db2.gz LICMXHDMWBLBIT-ZWKOTPCHSA-N 1 1 298.455 4.095 10 0 CIAEMO CC[NH2+][C@H](c1cccc(Cl)c1Cl)c1ncccc1C ZINC000055227275 520210662 /nfs/dbraw/zinc/21/06/62/520210662.db2.gz AYVSARCYPJULAT-OAHLLOKOSA-N 1 1 295.213 4.396 10 0 CIAEMO CCCCc1nc(Cl)c(C[NH2+][C@H](C)c2cccs2)[nH]1 ZINC000088398793 521304159 /nfs/dbraw/zinc/30/41/59/521304159.db2.gz GOMIOUHAANXOIU-SNVBAGLBSA-N 1 1 297.855 4.318 10 0 CIAEMO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000036960051 521572773 /nfs/dbraw/zinc/57/27/73/521572773.db2.gz WFPMLHWMHWJAQX-KGLIPLIRSA-N 1 1 273.376 4.399 10 0 CIAEMO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2csc(C)n2)cc1 ZINC000036958558 524027414 /nfs/dbraw/zinc/02/74/14/524027414.db2.gz VCQCUCIKUAWKCC-VXGBXAGGSA-N 1 1 274.433 4.426 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1nccs1 ZINC000070984327 525607402 /nfs/dbraw/zinc/60/74/02/525607402.db2.gz NQKKPTLLFOOVJK-DTWKUNHWSA-N 1 1 284.787 4.347 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cn2)o1 ZINC000274884401 525741438 /nfs/dbraw/zinc/74/14/38/525741438.db2.gz ICYVWXIBZKJGON-WDEREUQCSA-N 1 1 264.756 4.048 10 0 CIAEMO CCC[N@@H+]1CC=C(c2nc3ccc(Cl)cc3s2)CC1 ZINC000073638868 567893700 /nfs/dbraw/zinc/89/37/00/567893700.db2.gz BAMYUAKYUCFCAJ-UHFFFAOYSA-N 1 1 292.835 4.449 10 0 CIAEMO C[C@H]([NH2+]Cc1ccncc1Cl)c1ccc(Cl)s1 ZINC000088781264 260004966 /nfs/dbraw/zinc/00/49/66/260004966.db2.gz PZTVXVZOIJANGJ-QMMMGPOBSA-N 1 1 287.215 4.301 10 0 CIAEMO CCc1ccc2oc([C@H]([NH3+])c3ccc(F)cc3)cc2c1 ZINC000020389467 171178370 /nfs/dbraw/zinc/17/83/70/171178370.db2.gz JQFDAXXWBAFKJG-QGZVFWFLSA-N 1 1 269.319 4.182 10 0 CIAEMO COc1ccc2oc([C@@H]([NH3+])c3ccc(Cl)cc3)cc2c1 ZINC000020389619 171178858 /nfs/dbraw/zinc/17/88/58/171178858.db2.gz ZLTFLHNWPZBADG-INIZCTEOSA-N 1 1 287.746 4.143 10 0 CIAEMO C[N@@H+]([C@H](CN)c1cccc2ccccc21)C1CCCCC1 ZINC000020546513 171243923 /nfs/dbraw/zinc/24/39/23/171243923.db2.gz AYHNVAUTVIPQCP-LJQANCHMSA-N 1 1 282.431 4.104 10 0 CIAEMO Cc1c2ccccc2oc1[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000020592930 171262663 /nfs/dbraw/zinc/26/26/63/171262663.db2.gz MLPNYFDJGAATOY-HNNXBMFYSA-N 1 1 271.747 4.443 10 0 CIAEMO Clc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020595852 171264331 /nfs/dbraw/zinc/26/43/31/171264331.db2.gz YRJWIOANYYCMSA-KRWDZBQOSA-N 1 1 286.806 4.026 10 0 CIAEMO CC(C)c1ccc([C@H](N)C[N@@H+](C)C2CCCCC2)cc1 ZINC000021022295 171290706 /nfs/dbraw/zinc/29/07/06/171290706.db2.gz QYFOXCVSZPWKLB-GOSISDBHSA-N 1 1 274.452 4.074 10 0 CIAEMO CCC(C)(C)C1CCC(CN)([N@H+]2CCCC[C@H]2C)CC1 ZINC000021022151 171290792 /nfs/dbraw/zinc/29/07/92/171290792.db2.gz AQXVWQQKXNGTHP-KLHKWILBSA-N 1 1 280.500 4.185 10 0 CIAEMO Cc1cc(C)c([C@H](C)[NH2+]CCN(C(C)C)C(C)C)c(C)c1 ZINC000021025093 171291076 /nfs/dbraw/zinc/29/10/76/171291076.db2.gz SUFAIMMPQAASCR-SFHVURJKSA-N 1 1 290.495 4.381 10 0 CIAEMO Cc1ccc([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000021501201 171305296 /nfs/dbraw/zinc/30/52/96/171305296.db2.gz BMUOZCOQKGFUST-ROUUACIJSA-N 1 1 288.479 4.219 10 0 CIAEMO Cc1ccc([C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000021501201 171305297 /nfs/dbraw/zinc/30/52/97/171305297.db2.gz BMUOZCOQKGFUST-ROUUACIJSA-N 1 1 288.479 4.219 10 0 CIAEMO CC(C)Cc1ccc([C@@H](N)C[N@@H+](C)C2CCCCC2)cc1 ZINC000021516747 171312811 /nfs/dbraw/zinc/31/28/11/171312811.db2.gz WNPFEGVOLVJHGX-IBGZPJMESA-N 1 1 288.479 4.149 10 0 CIAEMO CCCc1ccc([C@@H](C)[NH2+]CCN(C(C)C)C(C)C)cc1 ZINC000022152847 171360131 /nfs/dbraw/zinc/36/01/31/171360131.db2.gz IGCRREPGZRLZMQ-QGZVFWFLSA-N 1 1 290.495 4.409 10 0 CIAEMO Cc1cccc(C)c1OC[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000022153765 171360584 /nfs/dbraw/zinc/36/05/84/171360584.db2.gz KQLDBYCQWBVUEU-OAHLLOKOSA-N 1 1 281.355 4.128 10 0 CIAEMO CC[N@@H+](C1CCCCC1)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000035219742 172060691 /nfs/dbraw/zinc/06/06/91/172060691.db2.gz ANBJLNOBJVXGIT-OALUTQOASA-N 1 1 286.463 4.046 10 0 CIAEMO Nc1ccc(SCc2ccccc2)c2cc[nH+]cc12 ZINC000035333280 172131939 /nfs/dbraw/zinc/13/19/39/172131939.db2.gz YUUHKYKXZPVPHJ-UHFFFAOYSA-N 1 1 266.369 4.109 10 0 CIAEMO C[N@@H+](Cc1cccc(N)c1)Cc1cccc2ccccc21 ZINC000035359977 172150740 /nfs/dbraw/zinc/15/07/40/172150740.db2.gz RWFFWIVQRZNLOU-UHFFFAOYSA-N 1 1 276.383 4.054 10 0 CIAEMO C[NH2+][C@@H](c1ccccc1F)c1cc(Cl)ccc1Cl ZINC000035501949 172236223 /nfs/dbraw/zinc/23/62/23/172236223.db2.gz ZCPZWYGUTOUYDA-AWEZNQCLSA-N 1 1 284.161 4.441 10 0 CIAEMO C[NH2+][C@H](c1ccccc1F)c1cc(Cl)ccc1Cl ZINC000035501950 172236287 /nfs/dbraw/zinc/23/62/87/172236287.db2.gz ZCPZWYGUTOUYDA-CQSZACIVSA-N 1 1 284.161 4.441 10 0 CIAEMO C[NH2+][C@@H](c1ccoc1C)c1cc(Cl)sc1Cl ZINC000035502060 172236878 /nfs/dbraw/zinc/23/68/78/172236878.db2.gz FBJPOMJEOJGEIW-JTQLQIEISA-N 1 1 276.188 4.265 10 0 CIAEMO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000035738837 172392438 /nfs/dbraw/zinc/39/24/38/172392438.db2.gz XZOIKEHUQVGSCH-QWHCGFSZSA-N 1 1 259.349 4.090 10 0 CIAEMO CCC[N@H+]1CCC[C@H]([C@@H](C)Nc2cccc(Cl)c2)C1 ZINC000037209846 173032064 /nfs/dbraw/zinc/03/20/64/173032064.db2.gz VWAPQOXIPSTDAR-KGLIPLIRSA-N 1 1 280.843 4.262 10 0 CIAEMO Cc1cc(C)c([C@@H](C)Nc2ccc(F)cc2)c(C)[nH+]1 ZINC000037210655 173032582 /nfs/dbraw/zinc/03/25/82/173032582.db2.gz OBOQPGLBTBHRQG-CYBMUJFWSA-N 1 1 258.340 4.319 10 0 CIAEMO C[C@@H](Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000037221816 173041540 /nfs/dbraw/zinc/04/15/40/173041540.db2.gz BRGMYYJYIOZQFW-GHMZBOCLSA-N 1 1 287.234 4.136 10 0 CIAEMO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000037260455 173070755 /nfs/dbraw/zinc/07/07/55/173070755.db2.gz OOCYCENHPSRMSE-CHWSQXEVSA-N 1 1 259.349 4.008 10 0 CIAEMO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000037260453 173070790 /nfs/dbraw/zinc/07/07/90/173070790.db2.gz OOCYCENHPSRMSE-STQMWFEESA-N 1 1 259.349 4.008 10 0 CIAEMO CC[N@@H+]([C@H](C)C(=O)c1cccc(Cl)c1)C1CCCC1 ZINC000037337433 173138488 /nfs/dbraw/zinc/13/84/88/173138488.db2.gz CGIXVBLPVHPDKB-GFCCVEGCSA-N 1 1 279.811 4.176 10 0 CIAEMO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032641 174029278 /nfs/dbraw/zinc/02/92/78/174029278.db2.gz RSXYDQWMNSQGOM-LBPRGKRZSA-N 1 1 286.806 4.042 10 0 CIAEMO Cc1cc2c(s1)C[N@@H+](C)C[C@H]2c1ccc(Cl)cc1 ZINC000038157561 174135076 /nfs/dbraw/zinc/13/50/76/174135076.db2.gz ONJZZJUKFLMXPJ-AWEZNQCLSA-N 1 1 277.820 4.287 10 0 CIAEMO CC(C)c1ccc([C@@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789043 174173408 /nfs/dbraw/zinc/17/34/08/174173408.db2.gz MMQNYSUSKZFCLK-RVKKMQEKSA-N 1 1 274.452 4.073 10 0 CIAEMO CC(C)c1ccc([C@@H](C[NH3+])N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789043 174173409 /nfs/dbraw/zinc/17/34/09/174173409.db2.gz MMQNYSUSKZFCLK-RVKKMQEKSA-N 1 1 274.452 4.073 10 0 CIAEMO Cc1c(Cl)ccc2c(NCc3ccco3)cc[nH+]c12 ZINC000040358932 174246406 /nfs/dbraw/zinc/24/64/06/174246406.db2.gz DAFMTEXZXPYLQA-UHFFFAOYSA-N 1 1 272.735 4.402 10 0 CIAEMO CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cs1 ZINC000043687003 175094666 /nfs/dbraw/zinc/09/46/66/175094666.db2.gz ISCLYPPYCRLWMM-LLVKDONJSA-N 1 1 288.254 4.275 10 0 CIAEMO C[N@H+]1C[C@H]2CCCC[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072112113 176317436 /nfs/dbraw/zinc/31/74/36/176317436.db2.gz FEYNATNTSNGKKO-DOMZBBRYSA-N 1 1 284.230 4.367 10 0 CIAEMO CCc1cc(N[C@@H](C)c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000088760280 260234448 /nfs/dbraw/zinc/23/44/48/260234448.db2.gz YLPHWYHZTKDGBQ-JTQLQIEISA-N 1 1 275.783 4.174 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2Cl)o1 ZINC000158122262 261159218 /nfs/dbraw/zinc/15/92/18/261159218.db2.gz GFCKXIFFOXTBDW-WDEREUQCSA-N 1 1 264.756 4.048 10 0 CIAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000173698643 261169333 /nfs/dbraw/zinc/16/93/33/261169333.db2.gz NYSQSYUVJKAKRS-FUHWJXTLSA-N 1 1 297.446 4.152 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1nc2ccccc2o1 ZINC000182422561 261937398 /nfs/dbraw/zinc/93/73/98/261937398.db2.gz RZQMJNJWYVSDSH-WDEREUQCSA-N 1 1 272.373 4.301 10 0 CIAEMO Cc1ccc([C@H](C)Nc2cc[nH+]cc2Cl)cc1F ZINC000094957810 265279102 /nfs/dbraw/zinc/27/91/02/265279102.db2.gz GPHJPTSHHHLIFI-JTQLQIEISA-N 1 1 264.731 4.356 10 0 CIAEMO Cc1nc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)oc1C ZINC000183129618 327758099 /nfs/dbraw/zinc/75/80/99/327758099.db2.gz RXEMWOWOEHOJDB-QGZVFWFLSA-N 1 1 284.403 4.095 10 0 CIAEMO Cc1nc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)cs1 ZINC000040418841 327906563 /nfs/dbraw/zinc/90/65/63/327906563.db2.gz XEGUZAAOLBGJFU-LBPRGKRZSA-N 1 1 282.412 4.456 10 0 CIAEMO Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccsc1Cl ZINC000312751707 326960500 /nfs/dbraw/zinc/96/05/00/326960500.db2.gz ITXRCMQDXOCNMZ-CYBMUJFWSA-N 1 1 281.783 4.318 10 0 CIAEMO C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(Cl)s1 ZINC000054375614 328692342 /nfs/dbraw/zinc/69/23/42/328692342.db2.gz JBZQUJJKNCNWPX-SECBINFHSA-N 1 1 291.807 4.129 10 0 CIAEMO Cc1cccc(N[C@@H]2C[C@@H]2c2ccc(Cl)cc2)[nH+]1 ZINC000302241888 328831896 /nfs/dbraw/zinc/83/18/96/328831896.db2.gz OPJMMSYZUVOQGF-ZIAGYGMSSA-N 1 1 258.752 4.011 10 0 CIAEMO C[C@H](CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000193965328 329064360 /nfs/dbraw/zinc/06/43/60/329064360.db2.gz CEFGAKNYHSSBEU-CRAIPNDOSA-N 1 1 283.419 4.131 10 0 CIAEMO Cc1ccccc1[C@H](C)Nc1cc[nH+]cc1Br ZINC000163908879 331138736 /nfs/dbraw/zinc/13/87/36/331138736.db2.gz AWFOJNZWQGDSRI-NSHDSACASA-N 1 1 291.192 4.326 10 0 CIAEMO CC(C)OCC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000163905150 331138788 /nfs/dbraw/zinc/13/87/88/331138788.db2.gz UJHNMUAMWXRSOG-VIFPVBQESA-N 1 1 294.197 4.208 10 0 CIAEMO c1csc([C@H]2CCCC[N@@H+]2CC2CCCCC2)n1 ZINC000195364543 333251367 /nfs/dbraw/zinc/25/13/67/333251367.db2.gz XARJXDGTGNBICQ-CQSZACIVSA-N 1 1 264.438 4.250 10 0 CIAEMO CCC(=O)CCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000232842941 333344074 /nfs/dbraw/zinc/34/40/74/333344074.db2.gz CAWPQOKMNCYKKS-LBPRGKRZSA-N 1 1 267.800 4.092 10 0 CIAEMO Cc1oncc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000129687402 333788005 /nfs/dbraw/zinc/78/80/05/333788005.db2.gz JJNRCNFWKGAAFL-QMMMGPOBSA-N 1 1 285.174 4.141 10 0 CIAEMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000078527837 334135121 /nfs/dbraw/zinc/13/51/21/334135121.db2.gz IMONUTBFJBJXHH-HNNXBMFYSA-N 1 1 276.383 4.428 10 0 CIAEMO c1ccc2nc(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)ccc2c1 ZINC000246121034 334234797 /nfs/dbraw/zinc/23/47/97/334234797.db2.gz LICMXHDMWBLBIT-QZTJIDSGSA-N 1 1 298.455 4.095 10 0 CIAEMO c1ccc2nc(C[N@H+]3CCS[C@H]4CCCC[C@H]43)ccc2c1 ZINC000246121021 334234886 /nfs/dbraw/zinc/23/48/86/334234886.db2.gz LICMXHDMWBLBIT-MSOLQXFVSA-N 1 1 298.455 4.095 10 0 CIAEMO c1ccc2nc(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)ccc2c1 ZINC000177187917 335367851 /nfs/dbraw/zinc/36/78/51/335367851.db2.gz LICMXHDMWBLBIT-ROUUACIJSA-N 1 1 298.455 4.095 10 0 CIAEMO CC[C@@H]([NH2+][C@H](C)c1csc(C)n1)c1cccs1 ZINC000049529407 522939936 /nfs/dbraw/zinc/93/99/36/522939936.db2.gz SHMBYLCHPNSGJK-MWLCHTKSSA-N 1 1 266.435 4.315 10 0 CIAEMO CCc1ccc(-c2csc([C@H]([NH3+])c3ccccc3)n2)cc1 ZINC000058376877 523858147 /nfs/dbraw/zinc/85/81/47/523858147.db2.gz OZPBHKSFVGXQNX-QGZVFWFLSA-N 1 1 294.423 4.421 10 0 CIAEMO Cc1ccc[nH+]c1N[C@@H](C)c1ccc(Cl)s1 ZINC000051041083 525544035 /nfs/dbraw/zinc/54/40/35/525544035.db2.gz OSSNVWAMEXCAAG-VIFPVBQESA-N 1 1 252.770 4.278 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cn2)o1 ZINC000274884396 525747728 /nfs/dbraw/zinc/74/77/28/525747728.db2.gz ICYVWXIBZKJGON-GHMZBOCLSA-N 1 1 264.756 4.048 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2)o1 ZINC000094826582 525935414 /nfs/dbraw/zinc/93/54/14/525935414.db2.gz CPVWDYAYRMKAHY-QWRGUYRKSA-N 1 1 265.303 4.278 10 0 CIAEMO Fc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000049855778 526340913 /nfs/dbraw/zinc/34/09/13/526340913.db2.gz IPEPMHBLWBSRBQ-OAHLLOKOSA-N 1 1 291.753 4.093 10 0 CIAEMO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)cs1 ZINC000036915278 527065449 /nfs/dbraw/zinc/06/54/49/527065449.db2.gz IGMIELBIZCNEJV-RYUDHWBXSA-N 1 1 260.406 4.172 10 0 CIAEMO CCCC[N@@H+](CC)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020546818 171244607 /nfs/dbraw/zinc/24/46/07/171244607.db2.gz FBSYDWHCPWAMDU-KRWDZBQOSA-N 1 1 276.468 4.106 10 0 CIAEMO CCCCN(CC)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020546818 171244608 /nfs/dbraw/zinc/24/46/08/171244608.db2.gz FBSYDWHCPWAMDU-KRWDZBQOSA-N 1 1 276.468 4.106 10 0 CIAEMO CCC(C)(C)C1CCC([NH2+]CC(C)(C)CN(C)C)CC1 ZINC000020553470 171248809 /nfs/dbraw/zinc/24/88/09/171248809.db2.gz VMUMDBLPFKXPAQ-UHFFFAOYSA-N 1 1 282.516 4.159 10 0 CIAEMO Cc1cc([C@H]([NH3+])c2cc3cc(Cl)ccc3o2)c(C)o1 ZINC000020592825 171261999 /nfs/dbraw/zinc/26/19/99/171261999.db2.gz MQZHMPUPSZDJJS-HNNXBMFYSA-N 1 1 275.735 4.344 10 0 CIAEMO Clc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020595847 171264599 /nfs/dbraw/zinc/26/45/99/171264599.db2.gz BYHLWUFMEGUGPZ-QGZVFWFLSA-N 1 1 286.806 4.026 10 0 CIAEMO C[N@@H+]([C@H](CN)c1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000021011917 171287620 /nfs/dbraw/zinc/28/76/20/171287620.db2.gz YAYVYKTWPSEVNU-GOSISDBHSA-N 1 1 288.479 4.248 10 0 CIAEMO Cc1ccc(OC[C@@H]([NH3+])c2cc3ccccc3o2)c(C)c1 ZINC000021042227 171293630 /nfs/dbraw/zinc/29/36/30/171293630.db2.gz BYLLDVDISRSBQN-OAHLLOKOSA-N 1 1 281.355 4.128 10 0 CIAEMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1Cl ZINC000021060517 171296839 /nfs/dbraw/zinc/29/68/39/171296839.db2.gz MGPQNZOUZAMPOM-GJZGRUSLSA-N 1 1 294.870 4.255 10 0 CIAEMO CCCC[N@@H+](C)[C@@H]1CCCCCCCCCC[C@@H]1N ZINC000021062668 171297502 /nfs/dbraw/zinc/29/75/02/171297502.db2.gz WLZUPZGQJWQLBT-DLBZAZTESA-N 1 1 268.489 4.329 10 0 CIAEMO CCCCN(C)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021062668 171297503 /nfs/dbraw/zinc/29/75/03/171297503.db2.gz WLZUPZGQJWQLBT-DLBZAZTESA-N 1 1 268.489 4.329 10 0 CIAEMO CC(C)c1ccc(CNCC2([NH+](C)C)CCCCC2)cc1 ZINC000021516964 171313312 /nfs/dbraw/zinc/31/33/12/171313312.db2.gz YJYHQTLNILPEBB-UHFFFAOYSA-N 1 1 288.479 4.164 10 0 CIAEMO CC[NH+](CC)CCCN[C@H](C)c1ccc(C(C)C)cc1 ZINC000022154060 171361367 /nfs/dbraw/zinc/36/13/67/171361367.db2.gz PNWZGOLVQVVDJV-MRXNPFEDSA-N 1 1 276.468 4.193 10 0 CIAEMO CC[NH2+][C@@H](c1ccc(F)cc1)c1c(F)cccc1Cl ZINC000035540124 172246515 /nfs/dbraw/zinc/24/65/15/172246515.db2.gz YSONHFRLRXPHRT-HNNXBMFYSA-N 1 1 281.733 4.317 10 0 CIAEMO Cc1c2cc(C)ccc2oc1[C@@H]([NH3+])c1cccs1 ZINC000035630527 172312025 /nfs/dbraw/zinc/31/20/25/172312025.db2.gz HOBRDDASOHJWBQ-AWEZNQCLSA-N 1 1 257.358 4.159 10 0 CIAEMO Cc1cccc2[nH+]c(-c3ccc(Cl)c(Cl)c3)c(N)n21 ZINC000036222137 172519747 /nfs/dbraw/zinc/51/97/47/172519747.db2.gz HWMKGNGTCPTVEX-UHFFFAOYSA-N 1 1 292.169 4.199 10 0 CIAEMO Cc1cccc(N[C@@H](C)c2c(C)cc(C)[nH+]c2C)c1 ZINC000037185428 173016846 /nfs/dbraw/zinc/01/68/46/173016846.db2.gz AJYUPLCTFUEAOI-HNNXBMFYSA-N 1 1 254.377 4.488 10 0 CIAEMO C[C@@H](Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000037209191 173030040 /nfs/dbraw/zinc/03/00/40/173030040.db2.gz NUPNEZHUQYMBLN-MNOVXSKESA-N 1 1 287.234 4.136 10 0 CIAEMO C[C@@H](Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000037208849 173030315 /nfs/dbraw/zinc/03/03/15/173030315.db2.gz IMMHVFZYCFEDQA-GHMZBOCLSA-N 1 1 287.234 4.136 10 0 CIAEMO C[C@@H](Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000037209188 173030426 /nfs/dbraw/zinc/03/04/26/173030426.db2.gz NUPNEZHUQYMBLN-GHMZBOCLSA-N 1 1 287.234 4.136 10 0 CIAEMO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(F)cc1Cl ZINC000038029068 174018457 /nfs/dbraw/zinc/01/84/57/174018457.db2.gz GHAXCTJLUOGXHR-QWHCGFSZSA-N 1 1 298.833 4.004 10 0 CIAEMO C[C@H](c1ccccc1Cl)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032667 174028515 /nfs/dbraw/zinc/02/85/15/174028515.db2.gz QFSZLHACDGAROM-GFCCVEGCSA-N 1 1 286.806 4.042 10 0 CIAEMO Cc1ccc([C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000038041758 174042950 /nfs/dbraw/zinc/04/29/50/174042950.db2.gz CCUOQVAEAAUPLL-SJLPKXTDSA-N 1 1 288.479 4.076 10 0 CIAEMO C[C@H](CN[C@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000038041671 174043606 /nfs/dbraw/zinc/04/36/06/174043606.db2.gz LWIIBANFUUDGCK-HUUCEWRRSA-N 1 1 294.870 4.113 10 0 CIAEMO Cc1ccc(C(=O)CC[N@@H+](Cc2ccccc2)C(C)(C)C)o1 ZINC000045355139 175362228 /nfs/dbraw/zinc/36/22/28/175362228.db2.gz PAXCYTKJCMZHKK-UHFFFAOYSA-N 1 1 299.414 4.462 10 0 CIAEMO C[C@H]([N@@H+](C)Cc1ccc(Br)cc1)C(C)(C)C ZINC000071108689 176033780 /nfs/dbraw/zinc/03/37/80/176033780.db2.gz QVRSZIMSWVKFGT-NSHDSACASA-N 1 1 284.241 4.316 10 0 CIAEMO Cc1ccc(C[C@H]2C3=C(CCCC3)CC[N@@H+]2C)cc1 ZINC000071257388 176095925 /nfs/dbraw/zinc/09/59/25/176095925.db2.gz WUMWCWCKAPJLTK-SFHVURJKSA-N 1 1 255.405 4.112 10 0 CIAEMO CCc1cc(N[C@H](C)c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000088760281 260234379 /nfs/dbraw/zinc/23/43/79/260234379.db2.gz YLPHWYHZTKDGBQ-SNVBAGLBSA-N 1 1 275.783 4.174 10 0 CIAEMO CCOc1ccccc1[C@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC000153946593 261085696 /nfs/dbraw/zinc/08/56/96/261085696.db2.gz KSXMTXITJSXMDE-LBPRGKRZSA-N 1 1 290.432 4.009 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+]Cc2ccsc2Cl)o1 ZINC000309792619 262021341 /nfs/dbraw/zinc/02/13/41/262021341.db2.gz PNGDTIXIVQGFPK-VIFPVBQESA-N 1 1 255.770 4.154 10 0 CIAEMO CC(C)c1ccc([C@@H](C)[NH2+]Cc2c(Cl)cnn2C)cc1 ZINC000188988049 264261927 /nfs/dbraw/zinc/26/19/27/264261927.db2.gz WLHLLVXOPKGDCP-GFCCVEGCSA-N 1 1 291.826 4.048 10 0 CIAEMO CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)o2)c2ccccc2O1 ZINC000344668685 265065890 /nfs/dbraw/zinc/06/58/90/265065890.db2.gz XAPFSVFNZAVFQT-CYBMUJFWSA-N 1 1 291.778 4.325 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2Cl)cc1F ZINC000094955421 265279262 /nfs/dbraw/zinc/27/92/62/265279262.db2.gz NHLPFKBWNYEIOP-NSHDSACASA-N 1 1 278.758 4.033 10 0 CIAEMO c1coc([C@@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000116297263 267137591 /nfs/dbraw/zinc/13/75/91/267137591.db2.gz HWDCRVQQPMLZQC-HNNXBMFYSA-N 1 1 294.354 4.272 10 0 CIAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)c1 ZINC000116297263 267137594 /nfs/dbraw/zinc/13/75/94/267137594.db2.gz HWDCRVQQPMLZQC-HNNXBMFYSA-N 1 1 294.354 4.272 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)o1 ZINC000036921974 326831134 /nfs/dbraw/zinc/83/11/34/326831134.db2.gz HZHMHTXSKVMNBG-QWRGUYRKSA-N 1 1 265.303 4.278 10 0 CIAEMO CCOC[C@H](C)[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000044689436 330331970 /nfs/dbraw/zinc/33/19/70/330331970.db2.gz HGMWGVJMHVLFEU-DTWKUNHWSA-N 1 1 294.197 4.208 10 0 CIAEMO CC[C@@H](Nc1cc[nH+]cc1Cl)c1cccs1 ZINC000086833123 330371145 /nfs/dbraw/zinc/37/11/45/330371145.db2.gz ZGRCYISQLGERBY-SNVBAGLBSA-N 1 1 252.770 4.360 10 0 CIAEMO Cc1ccccc1[C@@H](C)Nc1cc[nH+]cc1Br ZINC000163908783 331138726 /nfs/dbraw/zinc/13/87/26/331138726.db2.gz AWFOJNZWQGDSRI-LLVKDONJSA-N 1 1 291.192 4.326 10 0 CIAEMO CC(C)OCC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000163905277 331138728 /nfs/dbraw/zinc/13/87/28/331138728.db2.gz UJHNMUAMWXRSOG-SECBINFHSA-N 1 1 294.197 4.208 10 0 CIAEMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)c1cncs1 ZINC000164915308 331305439 /nfs/dbraw/zinc/30/54/39/331305439.db2.gz FBVJVVZPCYXUHF-CYBMUJFWSA-N 1 1 287.432 4.225 10 0 CIAEMO CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)c1csc(Cl)c1 ZINC000230409194 333318051 /nfs/dbraw/zinc/31/80/51/333318051.db2.gz FUGSIRBMEMQBRS-YPMHNXCESA-N 1 1 288.888 4.028 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2OC(C)(C)C3)o1 ZINC000080507886 334172287 /nfs/dbraw/zinc/17/22/87/334172287.db2.gz SNMOALYEPYIFSR-ZDUSSCGKSA-N 1 1 285.387 4.152 10 0 CIAEMO CCc1nc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2C)cs1 ZINC000245598038 334206376 /nfs/dbraw/zinc/20/63/76/334206376.db2.gz DIVKCULNKWQKFL-PEBVRCNWSA-N 1 1 286.444 4.290 10 0 CIAEMO COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000247226875 334277654 /nfs/dbraw/zinc/27/76/54/334277654.db2.gz RRUJJXKJNCKNEJ-DGCLKSJQSA-N 1 1 287.325 4.031 10 0 CIAEMO CCC[C@@H](C)[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000249272354 334330665 /nfs/dbraw/zinc/33/06/65/334330665.db2.gz KVUFRAMAXHAUAE-CHWSQXEVSA-N 1 1 296.480 4.003 10 0 CIAEMO CCC[C@@H](C)[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000249272354 334330666 /nfs/dbraw/zinc/33/06/66/334330666.db2.gz KVUFRAMAXHAUAE-CHWSQXEVSA-N 1 1 296.480 4.003 10 0 CIAEMO C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249730834 334339592 /nfs/dbraw/zinc/33/95/92/334339592.db2.gz SYGDLWJEVYANNP-WDEREUQCSA-N 1 1 275.289 4.161 10 0 CIAEMO Clc1ccsc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000194393162 336019499 /nfs/dbraw/zinc/01/94/99/336019499.db2.gz SKCIJGQUHDWJCX-NSHDSACASA-N 1 1 267.781 4.332 10 0 CIAEMO Clc1ccsc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000194393162 336019500 /nfs/dbraw/zinc/01/95/00/336019500.db2.gz SKCIJGQUHDWJCX-NSHDSACASA-N 1 1 267.781 4.332 10 0 CIAEMO CC(C)c1[nH+]c2cc(N)ccc2n1C1CCCCC1 ZINC000052842120 519869498 /nfs/dbraw/zinc/86/94/98/519869498.db2.gz FVGMQTLZOZELLJ-UHFFFAOYSA-N 1 1 257.381 4.247 10 0 CIAEMO CCC[C@@H](Nc1cc(C)[nH+]c(C)n1)c1cccs1 ZINC000049545859 520795549 /nfs/dbraw/zinc/79/55/49/520795549.db2.gz JQZAGRJOTGTLQA-GFCCVEGCSA-N 1 1 261.394 4.108 10 0 CIAEMO CCC[C@H](c1cccs1)n1c[nH+]c2cc(N)ccc21 ZINC000052853885 521196132 /nfs/dbraw/zinc/19/61/32/521196132.db2.gz LMTXORZMTDCFNF-CQSZACIVSA-N 1 1 271.389 4.070 10 0 CIAEMO C[C@]([NH3+])(c1nc2cccc(Cl)c2s1)c1ccccc1 ZINC000052879276 525150129 /nfs/dbraw/zinc/15/01/29/525150129.db2.gz BAYMQSSRUATTTE-OAHLLOKOSA-N 1 1 288.803 4.172 10 0 CIAEMO Cc1ccccc1[C@@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000042337809 525362675 /nfs/dbraw/zinc/36/26/75/525362675.db2.gz RAKSIUBVAGZXLC-GFCCVEGCSA-N 1 1 251.333 4.044 10 0 CIAEMO Cc1ccc[nH+]c1N[C@H](C)c1ccc(Br)cc1 ZINC000051041120 525544942 /nfs/dbraw/zinc/54/49/42/525544942.db2.gz JBCOYDMKSZEOLL-LLVKDONJSA-N 1 1 291.192 4.326 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(C(C)(C)C)s2)o1 ZINC000059180832 525737547 /nfs/dbraw/zinc/73/75/47/525737547.db2.gz PZYHNGFUNOKSHX-LLVKDONJSA-N 1 1 278.421 4.193 10 0 CIAEMO c1csc([C@@H]2CCCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000127735777 526585775 /nfs/dbraw/zinc/58/57/75/526585775.db2.gz DLURMNPSSWYVSE-INIZCTEOSA-N 1 1 297.427 4.352 10 0 CIAEMO Nc1ccc(SCC2CCCC2)c2cc[nH+]cc12 ZINC000062835613 527500801 /nfs/dbraw/zinc/50/08/01/527500801.db2.gz VPOZDFPNXGSDTE-UHFFFAOYSA-N 1 1 258.390 4.099 10 0 CIAEMO Cc1cc(N)c[nH+]c1Nc1ccc(C(C)(C)C)cc1 ZINC000082565766 178095187 /nfs/dbraw/zinc/09/51/87/178095187.db2.gz UVRYHDKYORGFJO-UHFFFAOYSA-N 1 1 255.365 4.013 10 0 CIAEMO Cc1cc(Nc2ccccc2C(C)(C)C)[nH+]cc1N ZINC000082565770 178095487 /nfs/dbraw/zinc/09/54/87/178095487.db2.gz WVSLUZDJCBHVEZ-UHFFFAOYSA-N 1 1 255.365 4.013 10 0 CIAEMO CC[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000083314421 178380019 /nfs/dbraw/zinc/38/00/19/178380019.db2.gz VUQTWSDYRMHCDR-WSTZPKSXSA-N 1 1 293.410 4.400 10 0 CIAEMO CC[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000083314421 178380020 /nfs/dbraw/zinc/38/00/20/178380020.db2.gz VUQTWSDYRMHCDR-WSTZPKSXSA-N 1 1 293.410 4.400 10 0 CIAEMO CCCn1c(N)c(-c2cccc(Cl)c2Cl)[nH+]c1CC ZINC000103501327 185845656 /nfs/dbraw/zinc/84/56/56/185845656.db2.gz RLZYUTOIGISXHO-UHFFFAOYSA-N 1 1 298.217 4.412 10 0 CIAEMO Cc1ccc2cc([C@H]([NH3+])c3ccc(Cl)cc3)oc2c1 ZINC000020389307 171178421 /nfs/dbraw/zinc/17/84/21/171178421.db2.gz ZKXYUPPUYOWCHJ-MRXNPFEDSA-N 1 1 271.747 4.443 10 0 CIAEMO CC[N@@H+]([C@@H](CN)c1c(C)cc(C)cc1C)C1CCCCC1 ZINC000020556310 171249992 /nfs/dbraw/zinc/24/99/92/171249992.db2.gz FNNWHJQDCGKIOW-SFHVURJKSA-N 1 1 288.479 4.266 10 0 CIAEMO CC(C)(C)c1[nH]c2ccc(NCc3ccccc3)cc2[nH+]1 ZINC000021502697 171306428 /nfs/dbraw/zinc/30/64/28/171306428.db2.gz IEFDUWFMFXMJKD-UHFFFAOYSA-N 1 1 279.387 4.473 10 0 CIAEMO CC[N@@H+](c1ccc(N)c(C(F)(F)F)c1)C1CCCCC1 ZINC000021517823 171314204 /nfs/dbraw/zinc/31/42/04/171314204.db2.gz BJCNOVJXONVITG-UHFFFAOYSA-N 1 1 286.341 4.447 10 0 CIAEMO CC[N@H+](c1ccc(N)c(C(F)(F)F)c1)C1CCCCC1 ZINC000021517823 171314206 /nfs/dbraw/zinc/31/42/06/171314206.db2.gz BJCNOVJXONVITG-UHFFFAOYSA-N 1 1 286.341 4.447 10 0 CIAEMO C[C@H]1CCC[C@H](C)N1C[C@@H]([NH3+])c1cccc2ccccc21 ZINC000021814074 171331317 /nfs/dbraw/zinc/33/13/17/171331317.db2.gz IYOYQIWTTIWRGQ-YZVOILCLSA-N 1 1 282.431 4.103 10 0 CIAEMO CCCC[N@@H+](CC)C[C@H](N)c1ccc(CC(C)C)cc1 ZINC000022148148 171357601 /nfs/dbraw/zinc/35/76/01/171357601.db2.gz QRQBTADZXBUVQL-SFHVURJKSA-N 1 1 276.468 4.007 10 0 CIAEMO CCCCN(CC)C[C@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000022148148 171357602 /nfs/dbraw/zinc/35/76/02/171357602.db2.gz QRQBTADZXBUVQL-SFHVURJKSA-N 1 1 276.468 4.007 10 0 CIAEMO Cc1noc(C)c1C[NH2+][C@H](c1cccs1)c1ccccc1 ZINC000035012280 171929878 /nfs/dbraw/zinc/92/98/78/171929878.db2.gz LCJPTQUCGVUEKY-KRWDZBQOSA-N 1 1 298.411 4.232 10 0 CIAEMO C[N@@H+](C1CCCCC1)C1(CN)CCC(C(C)(C)C)CC1 ZINC000035176690 172030436 /nfs/dbraw/zinc/03/04/36/172030436.db2.gz BNMOTDWVLPDVSE-UHFFFAOYSA-N 1 1 280.500 4.185 10 0 CIAEMO CC[N@H+]1CCC[C@H]([C@@H](C)Nc2cc(Cl)ccc2F)C1 ZINC000035283895 172102121 /nfs/dbraw/zinc/10/21/21/172102121.db2.gz SDFJYTIEDNZPLC-NEPJUHHUSA-N 1 1 284.806 4.011 10 0 CIAEMO C[NH2+][C@H](c1ccc(F)cc1F)c1c(F)cccc1Cl ZINC000035492162 172226562 /nfs/dbraw/zinc/22/65/62/172226562.db2.gz QXKDZISGVNQAJU-CQSZACIVSA-N 1 1 285.696 4.066 10 0 CIAEMO CCC[NH2+][C@H](c1ccsc1)c1c(F)cc(F)cc1F ZINC000035580754 172276484 /nfs/dbraw/zinc/27/64/84/172276484.db2.gz ZGKHHJXZZUMWAW-CQSZACIVSA-N 1 1 285.334 4.254 10 0 CIAEMO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000035738836 172392617 /nfs/dbraw/zinc/39/26/17/172392617.db2.gz XZOIKEHUQVGSCH-CHWSQXEVSA-N 1 1 259.349 4.090 10 0 CIAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2cccc(Cl)c2C)C1 ZINC000037209172 173029929 /nfs/dbraw/zinc/02/99/29/173029929.db2.gz SMPANNYXYAGHJM-ZIAGYGMSSA-N 1 1 280.843 4.181 10 0 CIAEMO CCC[N@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(Cl)cc2)C1 ZINC000037209875 173031527 /nfs/dbraw/zinc/03/15/27/173031527.db2.gz XRJBEWIPMUVEOH-ZIAGYGMSSA-N 1 1 280.843 4.262 10 0 CIAEMO C[C@@H](Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000037221818 173041493 /nfs/dbraw/zinc/04/14/93/173041493.db2.gz BRGMYYJYIOZQFW-MNOVXSKESA-N 1 1 287.234 4.136 10 0 CIAEMO CC[C@@H](C)[N@H+](CC)CC(=O)c1cc(Cl)ccc1Cl ZINC000037415094 173191682 /nfs/dbraw/zinc/19/16/82/173191682.db2.gz YTAYECZBDWCJJI-SNVBAGLBSA-N 1 1 288.218 4.297 10 0 CIAEMO CC[C@@H](C)[N@@H+](CC)CC(=O)c1cc(Cl)ccc1Cl ZINC000037415094 173191685 /nfs/dbraw/zinc/19/16/85/173191685.db2.gz YTAYECZBDWCJJI-SNVBAGLBSA-N 1 1 288.218 4.297 10 0 CIAEMO CCC[C@H](c1ccccc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032553 174029120 /nfs/dbraw/zinc/02/91/20/174029120.db2.gz VQECCVPOEVZIFZ-LJQANCHMSA-N 1 1 280.415 4.168 10 0 CIAEMO C[C@H](CN[C@H](C)c1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000038041703 174043477 /nfs/dbraw/zinc/04/34/77/174043477.db2.gz AANPSVZHQAVLNR-HUUCEWRRSA-N 1 1 294.870 4.113 10 0 CIAEMO CCCN(CCC)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000039164020 174165055 /nfs/dbraw/zinc/16/50/55/174165055.db2.gz YJXIHUJAFMKESU-QGZVFWFLSA-N 1 1 276.468 4.106 10 0 CIAEMO CCCN(CCC)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000039164019 174165092 /nfs/dbraw/zinc/16/50/92/174165092.db2.gz YJXIHUJAFMKESU-KRWDZBQOSA-N 1 1 276.468 4.106 10 0 CIAEMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1 ZINC000070130737 175873388 /nfs/dbraw/zinc/87/33/88/175873388.db2.gz HVROXDWTZAILQJ-CQSZACIVSA-N 1 1 282.225 4.214 10 0 CIAEMO Cc1nc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)sc1C ZINC000153904166 261084800 /nfs/dbraw/zinc/08/48/00/261084800.db2.gz PVYFSXKZMPTTQH-SECBINFHSA-N 1 1 298.814 4.403 10 0 CIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)c1cccc(C)c1 ZINC000173697736 261167968 /nfs/dbraw/zinc/16/79/68/261167968.db2.gz BWJPLCXGTVDHGP-CRAIPNDOSA-N 1 1 297.446 4.243 10 0 CIAEMO COc1cccc([C@@H](C)[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000175679697 261239761 /nfs/dbraw/zinc/23/97/61/261239761.db2.gz IAHXIPVFVNVVAR-CZUORRHYSA-N 1 1 271.360 4.186 10 0 CIAEMO Cc1ccc2cc(C[N@H+]3CCC[C@@H]3c3ccco3)ccc2n1 ZINC000187265388 262394236 /nfs/dbraw/zinc/39/42/36/262394236.db2.gz YEBPOKUNHHNOGI-GOSISDBHSA-N 1 1 292.382 4.473 10 0 CIAEMO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000127063646 264247924 /nfs/dbraw/zinc/24/79/24/264247924.db2.gz ZNXVTIZBYWOLRB-CYBMUJFWSA-N 1 1 297.377 4.046 10 0 CIAEMO CC(C)CC[N@@H+](Cc1cccc(N)c1)C1CCCC1 ZINC000094846265 265264160 /nfs/dbraw/zinc/26/41/60/265264160.db2.gz KREUEHPGCHCORG-UHFFFAOYSA-N 1 1 260.425 4.060 10 0 CIAEMO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccsc1Cl ZINC000312751709 326960469 /nfs/dbraw/zinc/96/04/69/326960469.db2.gz ITXRCMQDXOCNMZ-ZDUSSCGKSA-N 1 1 281.783 4.318 10 0 CIAEMO Cc1cccc(N[C@H]2C[C@@H]2c2ccc(Cl)cc2)[nH+]1 ZINC000302241886 328831883 /nfs/dbraw/zinc/83/18/83/328831883.db2.gz OPJMMSYZUVOQGF-KGLIPLIRSA-N 1 1 258.752 4.011 10 0 CIAEMO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1ncc[nH]1 ZINC000138975229 329678537 /nfs/dbraw/zinc/67/85/37/329678537.db2.gz VLBMOJYLSVUQBY-IUCAKERBSA-N 1 1 284.190 4.128 10 0 CIAEMO Cc1ccccc1[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000105689631 330327838 /nfs/dbraw/zinc/32/78/38/330327838.db2.gz HRGNSYYRODWHNW-IBGZPJMESA-N 1 1 277.367 4.467 10 0 CIAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC000106212499 330333829 /nfs/dbraw/zinc/33/38/29/330333829.db2.gz FTVYVGAVQSGWHL-ROUUACIJSA-N 1 1 297.446 4.234 10 0 CIAEMO CC[C@H]([NH2+]Cc1cc(Cl)cs1)c1nccs1 ZINC000086332916 330369367 /nfs/dbraw/zinc/36/93/67/330369367.db2.gz ZKOYPVAUMXEZLJ-JTQLQIEISA-N 1 1 272.826 4.099 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(Cl)c2)o1 ZINC000160846217 330877388 /nfs/dbraw/zinc/87/73/88/330877388.db2.gz BRIJYWYAOWZXNV-JTQLQIEISA-N 1 1 267.731 4.231 10 0 CIAEMO Cc1ccccc1[C@@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000166024452 331306497 /nfs/dbraw/zinc/30/64/97/331306497.db2.gz DEXMRBLKBUHDBQ-IBGZPJMESA-N 1 1 277.367 4.467 10 0 CIAEMO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2C)o1 ZINC000220915171 333170636 /nfs/dbraw/zinc/17/06/36/333170636.db2.gz JOZVDUVAELYBCA-KGLIPLIRSA-N 1 1 258.365 4.012 10 0 CIAEMO COc1ccc(Cl)c(C[NH2+][C@@H](C)c2ccc(C)o2)c1 ZINC000192179961 333231770 /nfs/dbraw/zinc/23/17/70/333231770.db2.gz HFOQUTWTNYLUEB-NSHDSACASA-N 1 1 279.767 4.101 10 0 CIAEMO C[C@H](c1cccc(Cl)c1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507071 333254320 /nfs/dbraw/zinc/25/43/20/333254320.db2.gz WJYIMFMVGRPSGT-GFCCVEGCSA-N 1 1 289.810 4.004 10 0 CIAEMO Clc1csc(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000194393207 333270573 /nfs/dbraw/zinc/27/05/73/333270573.db2.gz YLANBTWOJHJOEI-GFCCVEGCSA-N 1 1 267.781 4.332 10 0 CIAEMO Clc1csc(C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000194393207 333270574 /nfs/dbraw/zinc/27/05/74/333270574.db2.gz YLANBTWOJHJOEI-GFCCVEGCSA-N 1 1 267.781 4.332 10 0 CIAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000247527587 334284272 /nfs/dbraw/zinc/28/42/72/334284272.db2.gz NYSQSYUVJKAKRS-AEFFLSMTSA-N 1 1 297.446 4.152 10 0 CIAEMO Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000248371282 334299455 /nfs/dbraw/zinc/29/94/55/334299455.db2.gz YMFBSBMEODPJNW-BXUZGUMPSA-N 1 1 287.300 4.087 10 0 CIAEMO Cc1cccc([C@H](C)[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000089670767 334348507 /nfs/dbraw/zinc/34/85/07/334348507.db2.gz PJDBEJHOGLNGPW-BBRMVZONSA-N 1 1 299.418 4.303 10 0 CIAEMO CCC(CC)n1ccc(C[NH2+][C@@H](C)c2cccc(C)c2)n1 ZINC000157316940 334766820 /nfs/dbraw/zinc/76/68/20/334766820.db2.gz LDGPLVFWWQATBZ-HNNXBMFYSA-N 1 1 285.435 4.403 10 0 CIAEMO CCCN[C@H](CC[N@H+](C)CCC)c1ccc(Cl)cc1 ZINC000053978527 520068797 /nfs/dbraw/zinc/06/87/97/520068797.db2.gz GXUAUDYPLYWVJY-MRXNPFEDSA-N 1 1 282.859 4.113 10 0 CIAEMO CCCN[C@H](CC[N@@H+](C)CCC)c1ccc(Cl)cc1 ZINC000053978527 520068806 /nfs/dbraw/zinc/06/88/06/520068806.db2.gz GXUAUDYPLYWVJY-MRXNPFEDSA-N 1 1 282.859 4.113 10 0 CIAEMO CC(C)(C)c1[nH+]c2cc(N)ccc2n1-c1ccc(F)cc1 ZINC000052842903 519105905 /nfs/dbraw/zinc/10/59/05/519105905.db2.gz YWIRBEZZQNUJEG-UHFFFAOYSA-N 1 1 283.350 4.044 10 0 CIAEMO CC(C)C[C@H]1C[N@H+](C2CCCCC2)[C@@H](CC(C)C)CN1 ZINC000062671365 519414999 /nfs/dbraw/zinc/41/49/99/519414999.db2.gz GTOFIGAIZYDUFY-WMZOPIPTSA-N 1 1 280.500 4.054 10 0 CIAEMO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000139060137 519451097 /nfs/dbraw/zinc/45/10/97/519451097.db2.gz LDOLTRLQVNBVKS-KBPBESRZSA-N 1 1 271.408 4.020 10 0 CIAEMO CCCNc1ccc(Cl)c(C[N@@H+](C)[C@H](C)CCC)n1 ZINC000061631316 520161699 /nfs/dbraw/zinc/16/16/99/520161699.db2.gz ZWUDWPFIYFASNT-GFCCVEGCSA-N 1 1 283.847 4.177 10 0 CIAEMO CCCCc1nc(Cl)c(C[NH2+][C@@H](C)c2cccs2)[nH]1 ZINC000088398792 521302126 /nfs/dbraw/zinc/30/21/26/521302126.db2.gz GOMIOUHAANXOIU-JTQLQIEISA-N 1 1 297.855 4.318 10 0 CIAEMO CCC(CC)[N@@H+](C)Cc1ccccc1Br ZINC000049595545 521542727 /nfs/dbraw/zinc/54/27/27/521542727.db2.gz ONIIUMWSUGWDIR-UHFFFAOYSA-N 1 1 270.214 4.070 10 0 CIAEMO CC[C@H]([NH2+][C@H](C)c1csc(C)n1)c1cccs1 ZINC000049529406 522745620 /nfs/dbraw/zinc/74/56/20/522745620.db2.gz SHMBYLCHPNSGJK-KOLCDFICSA-N 1 1 266.435 4.315 10 0 CIAEMO CC[C@H](Nc1[nH]c2ccccc2[nH+]1)c1cccs1 ZINC000049531162 522779293 /nfs/dbraw/zinc/77/92/93/522779293.db2.gz NWYLIYKNKMYXGY-JTQLQIEISA-N 1 1 257.362 4.188 10 0 CIAEMO Cc1cc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000044692317 524776735 /nfs/dbraw/zinc/77/67/35/524776735.db2.gz BMZQUXFUKAQKDJ-CYBMUJFWSA-N 1 1 272.392 4.131 10 0 CIAEMO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000274947659 525531716 /nfs/dbraw/zinc/53/17/16/525531716.db2.gz UQRRJBRXBHJTQN-UWVGGRQHSA-N 1 1 296.748 4.425 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(Cl)cn1 ZINC000274947661 525607224 /nfs/dbraw/zinc/60/72/24/525607224.db2.gz UQRRJBRXBHJTQN-VHSXEESVSA-N 1 1 296.748 4.425 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2)o1 ZINC000094826581 525738232 /nfs/dbraw/zinc/73/82/32/525738232.db2.gz CPVWDYAYRMKAHY-WDEREUQCSA-N 1 1 265.303 4.278 10 0 CIAEMO C[C@@]([NH3+])(c1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000052879262 525751113 /nfs/dbraw/zinc/75/11/13/525751113.db2.gz COJMRTLYFHPLDT-HNNXBMFYSA-N 1 1 288.803 4.172 10 0 CIAEMO C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(Cl)cc1N ZINC000050443112 526153866 /nfs/dbraw/zinc/15/38/66/526153866.db2.gz JQSBQPVCDPAGLD-SNVBAGLBSA-N 1 1 280.824 4.177 10 0 CIAEMO Fc1ccc(C[NH2+][C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000049855779 526341521 /nfs/dbraw/zinc/34/15/21/526341521.db2.gz IPEPMHBLWBSRBQ-HNNXBMFYSA-N 1 1 291.753 4.093 10 0 CIAEMO c1csc([C@H]2CCCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000127735560 526587383 /nfs/dbraw/zinc/58/73/83/526587383.db2.gz DLURMNPSSWYVSE-MRXNPFEDSA-N 1 1 297.427 4.352 10 0 CIAEMO Nc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000050443250 527452183 /nfs/dbraw/zinc/45/21/83/527452183.db2.gz COFFTWQRVPDJMN-INIZCTEOSA-N 1 1 278.827 4.077 10 0 CIAEMO CCCC[N@@H+]1CC=C(c2nc3cc(Cl)ccc3o2)CC1 ZINC000226250976 567039180 /nfs/dbraw/zinc/03/91/80/567039180.db2.gz PTBIJOZMIXJUSR-UHFFFAOYSA-N 1 1 290.794 4.370 10 0 CIAEMO CCC[N@@H+]1CCC(=O)C12CCC(C(C)(C)CC)CC2 ZINC000712067133 567837270 /nfs/dbraw/zinc/83/72/70/567837270.db2.gz GRHZJWPUSCYIQX-UHFFFAOYSA-N 1 1 265.441 4.036 10 0 CIAEMO CCC[N@H+]1CCC(=O)C12CCC(C(C)(C)CC)CC2 ZINC000712067133 567837271 /nfs/dbraw/zinc/83/72/71/567837271.db2.gz GRHZJWPUSCYIQX-UHFFFAOYSA-N 1 1 265.441 4.036 10 0 CIAEMO c1ccc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)nc1 ZINC000082508640 178074709 /nfs/dbraw/zinc/07/47/09/178074709.db2.gz ZMRSXVNISICHJL-KRWDZBQOSA-N 1 1 294.398 4.008 10 0 CIAEMO C[C@]12C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3[C@@]1(C)CC=CC2 ZINC000095936384 185034264 /nfs/dbraw/zinc/03/42/64/185034264.db2.gz IAKRGBANZNSMTD-SLFFLAALSA-N 1 1 292.426 4.443 10 0 CIAEMO CCC(CC)C[N@@H+](CC)[C@H](CN)c1cccc(Cl)c1 ZINC000109679139 186268632 /nfs/dbraw/zinc/26/86/32/186268632.db2.gz BWAKXXHJDIBAQU-MRXNPFEDSA-N 1 1 282.859 4.098 10 0 CIAEMO CCC(CC)CN(CC)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000109679139 186268633 /nfs/dbraw/zinc/26/86/33/186268633.db2.gz BWAKXXHJDIBAQU-MRXNPFEDSA-N 1 1 282.859 4.098 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(Cl)c2)o1 ZINC000160846083 261228429 /nfs/dbraw/zinc/22/84/29/261228429.db2.gz BRIJYWYAOWZXNV-SNVBAGLBSA-N 1 1 267.731 4.231 10 0 CIAEMO C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1Nc1ccccc1 ZINC000253602161 189995070 /nfs/dbraw/zinc/99/50/70/189995070.db2.gz JQELYMOBBRDROY-YLJYHZDGSA-N 1 1 294.442 4.052 10 0 CIAEMO C[C@H]([NH2+]Cc1nc2ccccc2s1)c1cccc(F)c1 ZINC000020136290 171023766 /nfs/dbraw/zinc/02/37/66/171023766.db2.gz PJQTWIJWNWSEEI-NSHDSACASA-N 1 1 286.375 4.286 10 0 CIAEMO [NH3+][C@H](c1cc2cc(Cl)ccc2o1)c1ccc(F)cc1 ZINC000020389686 171179199 /nfs/dbraw/zinc/17/91/99/171179199.db2.gz AIJSNHBSMHPUNW-HNNXBMFYSA-N 1 1 275.710 4.273 10 0 CIAEMO Fc1ccc(-c2csc(=S)n2C[NH+]2CCCC2)cc1 ZINC000020436464 171202012 /nfs/dbraw/zinc/20/20/12/171202012.db2.gz ZNECECLJWSEHCJ-UHFFFAOYSA-N 1 1 294.420 4.138 10 0 CIAEMO CCCCN(CCCC)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020484813 171224523 /nfs/dbraw/zinc/22/45/23/171224523.db2.gz ZCOSLCWPCJYJKV-INIZCTEOSA-N 1 1 282.859 4.242 10 0 CIAEMO Cc1ccc(C)c([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000020546824 171244502 /nfs/dbraw/zinc/24/45/02/171244502.db2.gz CLJKOKCRPLUOQO-ROUUACIJSA-N 1 1 288.479 4.219 10 0 CIAEMO Cc1ccc(C)c([C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000020546824 171244504 /nfs/dbraw/zinc/24/45/04/171244504.db2.gz CLJKOKCRPLUOQO-ROUUACIJSA-N 1 1 288.479 4.219 10 0 CIAEMO COc1ccc(C)cc1[C@H]([NH3+])c1oc2ccccc2c1C ZINC000020592939 171262410 /nfs/dbraw/zinc/26/24/10/171262410.db2.gz LRHNZXKIYRMVMK-KRWDZBQOSA-N 1 1 281.355 4.106 10 0 CIAEMO CC[C@@H](NCCC[NH+](CC)CC)c1cccc(Cl)c1 ZINC000021517841 171314239 /nfs/dbraw/zinc/31/42/39/171314239.db2.gz GYBNMQCEVCTJGV-MRXNPFEDSA-N 1 1 282.859 4.113 10 0 CIAEMO CC1CCC([NH2+]CC2(N3CCCCC3)CCCCC2)CC1 ZINC000021520755 171316190 /nfs/dbraw/zinc/31/61/90/171316190.db2.gz IYQYIECSWZHKAI-UHFFFAOYSA-N 1 1 292.511 4.344 10 0 CIAEMO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000021801203 171326186 /nfs/dbraw/zinc/32/61/86/171326186.db2.gz VQXSUTVIYHXFFC-MRXNPFEDSA-N 1 1 290.495 4.124 10 0 CIAEMO CC(C)Cc1ccc([C@@H](C)NCC(C)(C)C[NH+](C)C)cc1 ZINC000021801203 171326187 /nfs/dbraw/zinc/32/61/87/171326187.db2.gz VQXSUTVIYHXFFC-MRXNPFEDSA-N 1 1 290.495 4.124 10 0 CIAEMO CC[C@@H](C)C[C@](CC)(CN)[N@@H+](CC)C1CCCCC1 ZINC000035176733 172029861 /nfs/dbraw/zinc/02/98/61/172029861.db2.gz NKYORAGWJSVATB-NVXWUHKLSA-N 1 1 268.489 4.185 10 0 CIAEMO CCCCCC[C@@](C)(CN)[N@@H+](CC)C1CCCCC1 ZINC000035176753 172029924 /nfs/dbraw/zinc/02/99/24/172029924.db2.gz CFNPBEGMMLXUNA-KRWDZBQOSA-N 1 1 268.489 4.329 10 0 CIAEMO C[NH2+][C@H](c1ccc(C)o1)c1cc(Cl)ccc1Cl ZINC000035501796 172236239 /nfs/dbraw/zinc/23/62/39/172236239.db2.gz VZYGJELQWXJYDW-ZDUSSCGKSA-N 1 1 270.159 4.204 10 0 CIAEMO COc1cccc2cc([C@@H](C)[NH2+][C@H](C)c3ccco3)oc21 ZINC000035738562 172391607 /nfs/dbraw/zinc/39/16/07/172391607.db2.gz XTTPTQMTUNKRDT-VXGBXAGGSA-N 1 1 285.343 4.446 10 0 CIAEMO C[C@H](CN[C@@H](C)c1ccc(F)c(Cl)c1)[NH+]1CCCCC1 ZINC000038028793 174018583 /nfs/dbraw/zinc/01/85/83/174018583.db2.gz CKRVPSOKRDHKDD-OLZOCXBDSA-N 1 1 298.833 4.004 10 0 CIAEMO CC(C)(C)[C@H]1CCCC[C@H]1[N@H+]1CCc2c(N)cccc2C1 ZINC000038032605 174028734 /nfs/dbraw/zinc/02/87/34/174028734.db2.gz BQUSUBIBJRRWLI-FUHWJXTLSA-N 1 1 286.463 4.232 10 0 CIAEMO CC(C)(C)[C@@H]1CCCC[C@@H]1[N@H+]1CCc2c(N)cccc2C1 ZINC000038032602 174029206 /nfs/dbraw/zinc/02/92/06/174029206.db2.gz BQUSUBIBJRRWLI-AEFFLSMTSA-N 1 1 286.463 4.232 10 0 CIAEMO Cc1ccc([C@H](C)NC[C@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000038041761 174043121 /nfs/dbraw/zinc/04/31/21/174043121.db2.gz CCUOQVAEAAUPLL-WMZOPIPTSA-N 1 1 288.479 4.076 10 0 CIAEMO Cc1ccc(C)c([C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000038041641 174043504 /nfs/dbraw/zinc/04/35/04/174043504.db2.gz NHCOQTJZEHKOOF-FUHWJXTLSA-N 1 1 288.479 4.076 10 0 CIAEMO CCC[N@@H+](Cc1cc(Br)cs1)C(C)C ZINC000043687014 175094322 /nfs/dbraw/zinc/09/43/22/175094322.db2.gz HIUPOOLBXMJUBZ-UHFFFAOYSA-N 1 1 276.243 4.131 10 0 CIAEMO CC[N@@H+](Cc1cc(Br)cs1)C1CCCC1 ZINC000043687056 175094671 /nfs/dbraw/zinc/09/46/71/175094671.db2.gz ASRIXGUFBGRJGN-UHFFFAOYSA-N 1 1 288.254 4.275 10 0 CIAEMO Cc1cc(N)c[nH+]c1Nc1ccccc1C(C)(C)C ZINC000071174162 176053688 /nfs/dbraw/zinc/05/36/88/176053688.db2.gz DNACOMICBLGXCR-UHFFFAOYSA-N 1 1 255.365 4.013 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)o1 ZINC000035043351 260005056 /nfs/dbraw/zinc/00/50/56/260005056.db2.gz DFKOJKLAWKVUDG-SUHUHFCYSA-N 1 1 259.349 4.155 10 0 CIAEMO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1c(F)cccc1F ZINC000037771901 260116351 /nfs/dbraw/zinc/11/63/51/260116351.db2.gz WIQWRJKFNSISAD-BMIGLBTASA-N 1 1 289.325 4.009 10 0 CIAEMO Cc1cc(C[NH2+][C@@H](c2ccccc2)c2ccccc2C)on1 ZINC000175172929 261210879 /nfs/dbraw/zinc/21/08/79/261210879.db2.gz MTJMCKUAHXZAMI-IBGZPJMESA-N 1 1 292.382 4.171 10 0 CIAEMO COc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000186083081 262079478 /nfs/dbraw/zinc/07/94/78/262079478.db2.gz NHZLPILQYZCMAS-MNOVXSKESA-N 1 1 265.378 4.070 10 0 CIAEMO C[C@@H](CNc1cc[nH+]cc1Cl)c1cccs1 ZINC000301539572 327716888 /nfs/dbraw/zinc/71/68/88/327716888.db2.gz UYRRLOJPHPAMAG-VIFPVBQESA-N 1 1 252.770 4.012 10 0 CIAEMO CSCCC[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173802173 329152556 /nfs/dbraw/zinc/15/25/56/329152556.db2.gz KTGKLHWUMIAPNL-CYBMUJFWSA-N 1 1 298.521 4.199 10 0 CIAEMO C[C@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1cccs1 ZINC000176205400 329172551 /nfs/dbraw/zinc/17/25/51/329172551.db2.gz JDPNXLLZLXCYIM-RYUDHWBXSA-N 1 1 299.399 4.210 10 0 CIAEMO C[C@@H]([NH2+][C@H](C)c1nnc(-c2ccccc2)o1)c1cccs1 ZINC000176205445 329172631 /nfs/dbraw/zinc/17/26/31/329172631.db2.gz JDPNXLLZLXCYIM-VXGBXAGGSA-N 1 1 299.399 4.210 10 0 CIAEMO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2nc(C)c(C)s2)o1 ZINC000176382456 329175105 /nfs/dbraw/zinc/17/51/05/329175105.db2.gz VDNPIDHBBREDIV-CQSZACIVSA-N 1 1 290.432 4.389 10 0 CIAEMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2nc(C)c(C)s2)o1 ZINC000176382456 329175106 /nfs/dbraw/zinc/17/51/06/329175106.db2.gz VDNPIDHBBREDIV-CQSZACIVSA-N 1 1 290.432 4.389 10 0 CIAEMO CCOC[C@H](C)[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000044689432 330331925 /nfs/dbraw/zinc/33/19/25/330331925.db2.gz HGMWGVJMHVLFEU-IUCAKERBSA-N 1 1 294.197 4.208 10 0 CIAEMO CC[C@@H](Nc1cc[nH+]cc1Br)c1ccccc1 ZINC000163913728 331138920 /nfs/dbraw/zinc/13/89/20/331138920.db2.gz BXZXOJMQSBODTB-CYBMUJFWSA-N 1 1 291.192 4.407 10 0 CIAEMO Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000177673197 333061556 /nfs/dbraw/zinc/06/15/56/333061556.db2.gz YMFBSBMEODPJNW-FZMZJTMJSA-N 1 1 287.300 4.087 10 0 CIAEMO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2)o1 ZINC000220928324 333170766 /nfs/dbraw/zinc/17/07/66/333170766.db2.gz JAIPAKHUBMFZAP-ZIAGYGMSSA-N 1 1 258.365 4.012 10 0 CIAEMO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2C)cs1 ZINC000037103519 333482190 /nfs/dbraw/zinc/48/21/90/333482190.db2.gz PLQLXDCAGYXRGP-STQMWFEESA-N 1 1 274.433 4.480 10 0 CIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)c1cccc(C)c1 ZINC000247196553 334277522 /nfs/dbraw/zinc/27/75/22/334277522.db2.gz BWJPLCXGTVDHGP-QAPCUYQASA-N 1 1 297.446 4.243 10 0 CIAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC000247558877 334285656 /nfs/dbraw/zinc/28/56/56/334285656.db2.gz FTVYVGAVQSGWHL-QZTJIDSGSA-N 1 1 297.446 4.234 10 0 CIAEMO CCC[C@@H](C)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000252733974 334388010 /nfs/dbraw/zinc/38/80/10/334388010.db2.gz XQVLCXWXBNYVMS-OLZOCXBDSA-N 1 1 252.427 4.106 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2Cl)cc1F ZINC000380960750 336041074 /nfs/dbraw/zinc/04/10/74/336041074.db2.gz WGJWNMIBKGSCLO-NSHDSACASA-N 1 1 293.769 4.344 10 0 CIAEMO CC[NH2+][C@@H](c1cccc(Cl)c1Cl)c1ncccc1C ZINC000055227271 520113369 /nfs/dbraw/zinc/11/33/69/520113369.db2.gz AYVSARCYPJULAT-HNNXBMFYSA-N 1 1 295.213 4.396 10 0 CIAEMO CCCNc1ccc(Cl)c(C[N@@H+](C)[C@@H](C)CCC)n1 ZINC000061631318 520162387 /nfs/dbraw/zinc/16/23/87/520162387.db2.gz ZWUDWPFIYFASNT-LBPRGKRZSA-N 1 1 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WOSVAWZWHVRMCY-UHFFFAOYSA-N 1 1 259.397 4.061 10 0 CIAEMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1N ZINC000050443039 523226908 /nfs/dbraw/zinc/22/69/08/523226908.db2.gz YJAXEBIUCOJWRD-UHFFFAOYSA-N 1 1 295.213 4.208 10 0 CIAEMO Cc1cc(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)no1 ZINC000044296163 524777195 /nfs/dbraw/zinc/77/71/95/524777195.db2.gz OTPKTFLAFQUMPS-CQSZACIVSA-N 1 1 272.392 4.032 10 0 CIAEMO Cc1cc(N)c[nH+]c1Nc1cc(Cl)cc(Cl)c1 ZINC000052812459 525040534 /nfs/dbraw/zinc/04/05/34/525040534.db2.gz NIZAKBYBQFAKJX-UHFFFAOYSA-N 1 1 268.147 4.023 10 0 CIAEMO Cc1cc([C@H]([NH3+])c2nc(C(C)(C)C)cs2)c(C)s1 ZINC000049687888 525535953 /nfs/dbraw/zinc/53/59/53/525535953.db2.gz OUPGAIFZTPTBNW-LBPRGKRZSA-N 1 1 280.462 4.167 10 0 CIAEMO C[C@@H]([NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)c1ncc[nH]1 ZINC000138978166 525658190 /nfs/dbraw/zinc/65/81/90/525658190.db2.gz IUDLKRYDDWLLHX-CHWSQXEVSA-N 1 1 271.408 4.119 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2)o1 ZINC000094826583 525746019 /nfs/dbraw/zinc/74/60/19/525746019.db2.gz CPVWDYAYRMKAHY-GHMZBOCLSA-N 1 1 265.303 4.278 10 0 CIAEMO Cc1[nH+]c2cc(N)ccc2n1-c1cc(Cl)ccc1Cl ZINC000052842819 527122044 /nfs/dbraw/zinc/12/20/44/527122044.db2.gz QFORQIXJBUZARC-UHFFFAOYSA-N 1 1 292.169 4.223 10 0 CIAEMO CC[N@@H+]1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000226250018 567039145 /nfs/dbraw/zinc/03/91/45/567039145.db2.gz MDQAYINKVVQYLA-UHFFFAOYSA-N 1 1 297.185 4.244 10 0 CIAEMO CCC[N@@H+]1CC=C(c2nc3c(cccc3Cl)s2)CC1 ZINC000073638853 567893388 /nfs/dbraw/zinc/89/33/88/567893388.db2.gz VCFKCKCGBWZFRT-UHFFFAOYSA-N 1 1 292.835 4.449 10 0 CIAEMO CC[N@@H+]1CC=C(c2nc3ccc(Cl)cc3s2)CC1 ZINC000073638871 567893533 /nfs/dbraw/zinc/89/35/33/567893533.db2.gz JMBXYGOKOJXGLK-UHFFFAOYSA-N 1 1 278.808 4.059 10 0 CIAEMO CCCC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2ccccc2O1 ZINC000011913386 567928865 /nfs/dbraw/zinc/92/88/65/567928865.db2.gz AJPZDPRQZNOOLU-GOSISDBHSA-N 1 1 296.414 4.035 10 0 CIAEMO c1ccc(C[N@@H+]2CC=C(c3nc4ccccc4o3)CC2)cc1 ZINC000026292687 567937624 /nfs/dbraw/zinc/93/76/24/567937624.db2.gz LMRUSDUZVDKYMF-UHFFFAOYSA-N 1 1 290.366 4.117 10 0 CIAEMO CCc1cc(N[C@@H](c2ccc(F)cc2)C2CC2)nc(C)[nH+]1 ZINC000302041180 529560113 /nfs/dbraw/zinc/56/01/13/529560113.db2.gz IATMETNJCVFCMZ-QGZVFWFLSA-N 1 1 285.366 4.050 10 0 CIAEMO CCC[NH2+][C@@H](CCC)[C@H](CC)N1CCC(CC)CC1 ZINC000103986519 185876122 /nfs/dbraw/zinc/87/61/22/185876122.db2.gz FGHBAEROQVKYJA-IRXDYDNUSA-N 1 1 268.489 4.055 10 0 CIAEMO C[N@H+]1CCC[C@H]2[C@@H]1c1ccccc1[C@@H]2c1ccccc1 ZINC000005966483 170163766 /nfs/dbraw/zinc/16/37/66/170163766.db2.gz ZFTCDHKYTKCNGS-QYZOEREBSA-N 1 1 263.384 4.215 10 0 CIAEMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c(C)s1 ZINC000020126373 171010115 /nfs/dbraw/zinc/01/01/15/171010115.db2.gz FJESHLLHNJGQPN-NWDGAFQWSA-N 1 1 274.433 4.480 10 0 CIAEMO [NH3+][C@H](c1cc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000020369156 171167135 /nfs/dbraw/zinc/16/71/35/171167135.db2.gz OTHWHGSKMWNTAQ-HNNXBMFYSA-N 1 1 291.272 4.500 10 0 CIAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000020369159 171167162 /nfs/dbraw/zinc/16/71/62/171167162.db2.gz OTHWHGSKMWNTAQ-OAHLLOKOSA-N 1 1 291.272 4.500 10 0 CIAEMO Cc1ccc2cc([C@@H]([NH3+])c3ccc(Cl)cc3)oc2c1 ZINC000020389302 171177966 /nfs/dbraw/zinc/17/79/66/171177966.db2.gz ZKXYUPPUYOWCHJ-INIZCTEOSA-N 1 1 271.747 4.443 10 0 CIAEMO CC(C)c1ccc([C@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020549334 171246364 /nfs/dbraw/zinc/24/63/64/171246364.db2.gz XJZBIXZCKGVCIW-RVKKMQEKSA-N 1 1 274.452 4.073 10 0 CIAEMO CC[N@@H+]([C@H](CN)c1c(C)cc(C)cc1C)C1CCCCC1 ZINC000020556312 171249954 /nfs/dbraw/zinc/24/99/54/171249954.db2.gz FNNWHJQDCGKIOW-GOSISDBHSA-N 1 1 288.479 4.266 10 0 CIAEMO CC1CCN(CCC[NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000021010264 171286632 /nfs/dbraw/zinc/28/66/32/171286632.db2.gz VQMAEYVDEYKCPQ-UHFFFAOYSA-N 1 1 294.527 4.303 10 0 CIAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCCCCCCCCC[C@@H]2N)C1 ZINC000021011936 171287650 /nfs/dbraw/zinc/28/76/50/171287650.db2.gz FABUEEXFIHPCIW-FGTMMUONSA-N 1 1 280.500 4.329 10 0 CIAEMO C[C@@H]1CCCN([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])C1 ZINC000021011936 171287652 /nfs/dbraw/zinc/28/76/52/171287652.db2.gz FABUEEXFIHPCIW-FGTMMUONSA-N 1 1 280.500 4.329 10 0 CIAEMO C[C@H]1CCC[N@H+]([C@@H]2CCCCCCCCCC[C@@H]2N)C1 ZINC000021011937 171287722 /nfs/dbraw/zinc/28/77/22/171287722.db2.gz FABUEEXFIHPCIW-OKZBNKHCSA-N 1 1 280.500 4.329 10 0 CIAEMO C[C@H]1CCCN([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])C1 ZINC000021011937 171287724 /nfs/dbraw/zinc/28/77/24/171287724.db2.gz FABUEEXFIHPCIW-OKZBNKHCSA-N 1 1 280.500 4.329 10 0 CIAEMO Cc1cc(C)c([C@@H](C)[NH2+]CCN(C(C)C)C(C)C)c(C)c1 ZINC000021025101 171291330 /nfs/dbraw/zinc/29/13/30/171291330.db2.gz SUFAIMMPQAASCR-GOSISDBHSA-N 1 1 290.495 4.381 10 0 CIAEMO C[N@@H+](C[C@H](N)c1cccc2ccccc21)C1CCCCC1 ZINC000021048643 171294322 /nfs/dbraw/zinc/29/43/22/171294322.db2.gz IXNIFWZIZGOKDW-IBGZPJMESA-N 1 1 282.431 4.104 10 0 CIAEMO C[N@@H+](C[C@@H](N)c1cccc2ccccc21)C1CCCCC1 ZINC000021048637 171294508 /nfs/dbraw/zinc/29/45/08/171294508.db2.gz IXNIFWZIZGOKDW-LJQANCHMSA-N 1 1 282.431 4.104 10 0 CIAEMO [NH3+][C@H]1CCCCCCCCCC[C@@H]1N1CCCCC1 ZINC000021499753 171304595 /nfs/dbraw/zinc/30/45/95/171304595.db2.gz NUDNOPCBPQXIST-IRXDYDNUSA-N 1 1 266.473 4.083 10 0 CIAEMO CC[N@@H+]([C@@H](CN)c1ccc(C(C)C)cc1)C1CCCCC1 ZINC000021509540 171309712 /nfs/dbraw/zinc/30/97/12/171309712.db2.gz LLODURLIXRECJM-IBGZPJMESA-N 1 1 288.479 4.464 10 0 CIAEMO CCCC[N@@H+](CC)C[C@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021515743 171312539 /nfs/dbraw/zinc/31/25/39/171312539.db2.gz IQLZQXKARDKFQI-KRWDZBQOSA-N 1 1 276.468 4.106 10 0 CIAEMO CCCCN(CC)C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021515743 171312540 /nfs/dbraw/zinc/31/25/40/171312540.db2.gz IQLZQXKARDKFQI-KRWDZBQOSA-N 1 1 276.468 4.106 10 0 CIAEMO Cc1ccc(C)c([C@H](C)[NH2+]CCN(C(C)C)C(C)C)c1 ZINC000021520795 171316217 /nfs/dbraw/zinc/31/62/17/171316217.db2.gz TZLIKPQHULGIMX-KRWDZBQOSA-N 1 1 276.468 4.073 10 0 CIAEMO Cc1cc(C)c(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000021791419 171324297 /nfs/dbraw/zinc/32/42/97/171324297.db2.gz PCJYVTWGYHZWFF-UHFFFAOYSA-N 1 1 288.479 4.011 10 0 CIAEMO C([NH2+]C1CCCCCC1)C1(N2CCCCC2)CCCCC1 ZINC000021805788 171327459 /nfs/dbraw/zinc/32/74/59/171327459.db2.gz CMLNUSSGHVVFLI-UHFFFAOYSA-N 1 1 292.511 4.488 10 0 CIAEMO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000021817127 171332854 /nfs/dbraw/zinc/33/28/54/171332854.db2.gz GNSSJXRBUAWIPE-GJZGRUSLSA-N 1 1 294.870 4.255 10 0 CIAEMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000021817127 171332856 /nfs/dbraw/zinc/33/28/56/171332856.db2.gz GNSSJXRBUAWIPE-GJZGRUSLSA-N 1 1 294.870 4.255 10 0 CIAEMO C[NH2+][C@@H](c1occc1C)c1cc(Cl)ccc1Cl ZINC000035501807 172236949 /nfs/dbraw/zinc/23/69/49/172236949.db2.gz OSHCCZNUUXYABV-GFCCVEGCSA-N 1 1 270.159 4.204 10 0 CIAEMO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000035738835 172392421 /nfs/dbraw/zinc/39/24/21/172392421.db2.gz XZOIKEHUQVGSCH-STQMWFEESA-N 1 1 259.349 4.090 10 0 CIAEMO Cc1ccc2[nH+]c(-c3ccc(Cl)c(Cl)c3)c(N)n2c1 ZINC000036222193 172519489 /nfs/dbraw/zinc/51/94/89/172519489.db2.gz NCTHGDAEOMNPAH-UHFFFAOYSA-N 1 1 292.169 4.199 10 0 CIAEMO C[C@H](Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C)C1 ZINC000037208848 173030013 /nfs/dbraw/zinc/03/00/13/173030013.db2.gz IMMHVFZYCFEDQA-WDEREUQCSA-N 1 1 287.234 4.136 10 0 CIAEMO C[C@@H](Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000037208851 173030335 /nfs/dbraw/zinc/03/03/35/173030335.db2.gz IMMHVFZYCFEDQA-MNOVXSKESA-N 1 1 287.234 4.136 10 0 CIAEMO CCC[N@@H+](C(C)C)[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037415036 173191715 /nfs/dbraw/zinc/19/17/15/173191715.db2.gz ZNIJREPDAGKHQC-GFCCVEGCSA-N 1 1 267.800 4.032 10 0 CIAEMO CCC[C@@H](c1ccccc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032552 174028591 /nfs/dbraw/zinc/02/85/91/174028591.db2.gz VQECCVPOEVZIFZ-IBGZPJMESA-N 1 1 280.415 4.168 10 0 CIAEMO Cc1ccc([C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC000038041859 174044146 /nfs/dbraw/zinc/04/41/46/174044146.db2.gz VFMQQUFAAOPSEJ-QAPCUYQASA-N 1 1 288.479 4.076 10 0 CIAEMO Cc1cc([C@H](C)NC[C@H](C)C[NH+]2CCCCC2)c(C)s1 ZINC000038041901 174044516 /nfs/dbraw/zinc/04/45/16/174044516.db2.gz XLDKJKBNFISIDB-ZFWWWQNUSA-N 1 1 294.508 4.138 10 0 CIAEMO Cc1ccc([C@H](C)NC[C@H](C)C[NH+]2CCCCC2)cc1C ZINC000038041861 174044543 /nfs/dbraw/zinc/04/45/43/174044543.db2.gz VFMQQUFAAOPSEJ-YJBOKZPZSA-N 1 1 288.479 4.076 10 0 CIAEMO CC(C)[N@@H+](CC1CC1)[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000044415164 175172952 /nfs/dbraw/zinc/17/29/52/175172952.db2.gz CISNAKKZJCIDSL-LBPRGKRZSA-N 1 1 279.811 4.032 10 0 CIAEMO CC(C)C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000071108585 176034072 /nfs/dbraw/zinc/03/40/72/176034072.db2.gz WJTPGVIJEPEZLR-GFCCVEGCSA-N 1 1 284.241 4.316 10 0 CIAEMO C[N@H+]1C[C@H]2CCCC[C@@]2(c2cccc3ccccc32)C1 ZINC000072113759 176318392 /nfs/dbraw/zinc/31/83/92/176318392.db2.gz JUHGVUXNNZSORA-VQIMIIECSA-N 1 1 265.400 4.213 10 0 CIAEMO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1c(F)cccc1F ZINC000037771900 260116353 /nfs/dbraw/zinc/11/63/53/260116353.db2.gz WIQWRJKFNSISAD-BONVTDFDSA-N 1 1 289.325 4.009 10 0 CIAEMO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc(F)c1F ZINC000090963161 260264065 /nfs/dbraw/zinc/26/40/65/260264065.db2.gz ODIVLEYMISFHEQ-ABAIWWIYSA-N 1 1 289.325 4.139 10 0 CIAEMO CCCn1ccc(C[NH2+][C@H](C)c2c(F)cccc2F)c1 ZINC000091012340 260264835 /nfs/dbraw/zinc/26/48/35/260264835.db2.gz FYZICAZZSYYCNO-GFCCVEGCSA-N 1 1 278.346 4.027 10 0 CIAEMO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2o1)c1cccs1 ZINC000182422520 261937536 /nfs/dbraw/zinc/93/75/36/261937536.db2.gz RZQMJNJWYVSDSH-QWRGUYRKSA-N 1 1 272.373 4.301 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+]Cc2ccsc2Cl)o1 ZINC000309792617 262021574 /nfs/dbraw/zinc/02/15/74/262021574.db2.gz PNGDTIXIVQGFPK-SECBINFHSA-N 1 1 255.770 4.154 10 0 CIAEMO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000186083099 262078917 /nfs/dbraw/zinc/07/89/17/262078917.db2.gz NHZLPILQYZCMAS-QWRGUYRKSA-N 1 1 265.378 4.070 10 0 CIAEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000127063914 264247983 /nfs/dbraw/zinc/24/79/83/264247983.db2.gz ZNXVTIZBYWOLRB-ZDUSSCGKSA-N 1 1 297.377 4.046 10 0 CIAEMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116404610 267151826 /nfs/dbraw/zinc/15/18/26/267151826.db2.gz UKEXZLTZCIAFCZ-INIZCTEOSA-N 1 1 271.360 4.015 10 0 CIAEMO Cc1nc(C[NH2+][C@H](C)c2ccc3ccccc3c2)cs1 ZINC000040418842 327906693 /nfs/dbraw/zinc/90/66/93/327906693.db2.gz XEGUZAAOLBGJFU-GFCCVEGCSA-N 1 1 282.412 4.456 10 0 CIAEMO C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000048777454 328320522 /nfs/dbraw/zinc/32/05/22/328320522.db2.gz XYOLHSMZCDQRFS-NSHDSACASA-N 1 1 285.778 4.067 10 0 CIAEMO C(=C\c1ccccc1)\C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000255906905 327028129 /nfs/dbraw/zinc/02/81/29/327028129.db2.gz VDSDSCGMAXXFMX-HWYHOQROSA-N 1 1 284.428 4.384 10 0 CIAEMO C(=C\c1ccccc1)\C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000255906905 327028131 /nfs/dbraw/zinc/02/81/31/327028131.db2.gz VDSDSCGMAXXFMX-HWYHOQROSA-N 1 1 284.428 4.384 10 0 CIAEMO CC[C@H](Nc1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000051628894 328626270 /nfs/dbraw/zinc/62/62/70/328626270.db2.gz LDELTTNYIDLWPN-ZDUSSCGKSA-N 1 1 251.333 4.126 10 0 CIAEMO C[C@H]([NH2+]Cc1ccncc1)c1c(Cl)ccc(F)c1Cl ZINC000035790953 330251291 /nfs/dbraw/zinc/25/12/91/330251291.db2.gz ABKLVIUNQYTSTA-VIFPVBQESA-N 1 1 299.176 4.378 10 0 CIAEMO C[C@H]([NH2+]Cc1cccc(O)c1Cl)c1ccc(F)c(F)c1 ZINC000328079493 330311893 /nfs/dbraw/zinc/31/18/93/330311893.db2.gz AHECRYKPAQDSRU-VIFPVBQESA-N 1 1 297.732 4.175 10 0 CIAEMO CCOC[C@@H](C)[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000044689431 330331844 /nfs/dbraw/zinc/33/18/44/330331844.db2.gz HGMWGVJMHVLFEU-BDAKNGLRSA-N 1 1 294.197 4.208 10 0 CIAEMO Cc1ccccc1[C@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000166024338 331306463 /nfs/dbraw/zinc/30/64/63/331306463.db2.gz DEXMRBLKBUHDBQ-LJQANCHMSA-N 1 1 277.367 4.467 10 0 CIAEMO COc1cccc([C@@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000175525413 333026161 /nfs/dbraw/zinc/02/61/61/333026161.db2.gz RRUJJXKJNCKNEJ-YPMHNXCESA-N 1 1 287.325 4.031 10 0 CIAEMO C[C@@H](Nc1cc[nH+]cc1Cl)c1ccc(F)c(F)c1 ZINC000176747640 333046639 /nfs/dbraw/zinc/04/66/39/333046639.db2.gz IWARTGNDAJDAJG-MRVPVSSYSA-N 1 1 268.694 4.186 10 0 CIAEMO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2C)o1 ZINC000220915108 333170488 /nfs/dbraw/zinc/17/04/88/333170488.db2.gz JOZVDUVAELYBCA-ZIAGYGMSSA-N 1 1 258.365 4.012 10 0 CIAEMO c1csc([C@@H]2CCCC[N@@H+]2CC2CCCCC2)n1 ZINC000195364537 333251265 /nfs/dbraw/zinc/25/12/65/333251265.db2.gz XARJXDGTGNBICQ-AWEZNQCLSA-N 1 1 264.438 4.250 10 0 CIAEMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000195439377 333253310 /nfs/dbraw/zinc/25/33/10/333253310.db2.gz SKRVSDYYKLWAMM-OAHLLOKOSA-N 1 1 272.417 4.179 10 0 CIAEMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000195439377 333253312 /nfs/dbraw/zinc/25/33/12/333253312.db2.gz SKRVSDYYKLWAMM-OAHLLOKOSA-N 1 1 272.417 4.179 10 0 CIAEMO C(=C/c1ccccc1)\C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195440081 333253428 /nfs/dbraw/zinc/25/34/28/333253428.db2.gz VDSDSCGMAXXFMX-FSNWXROXSA-N 1 1 284.428 4.384 10 0 CIAEMO C(=C/c1ccccc1)\C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195440081 333253429 /nfs/dbraw/zinc/25/34/29/333253429.db2.gz VDSDSCGMAXXFMX-FSNWXROXSA-N 1 1 284.428 4.384 10 0 CIAEMO Cc1nc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2C)cs1 ZINC000037103518 333482113 /nfs/dbraw/zinc/48/21/13/333482113.db2.gz PLQLXDCAGYXRGP-OLZOCXBDSA-N 1 1 274.433 4.480 10 0 CIAEMO COc1ccc([C@H](C)C[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000245855590 334221632 /nfs/dbraw/zinc/22/16/32/334221632.db2.gz NLICGOFHNBDKOS-PBHICJAKSA-N 1 1 285.387 4.229 10 0 CIAEMO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](C)c2ccccc2)cs1 ZINC000249446279 334334194 /nfs/dbraw/zinc/33/41/94/334334194.db2.gz LDAUEGWUFSNDGD-GUYCJALGSA-N 1 1 286.444 4.392 10 0 CIAEMO CCCNc1ccc(Cl)c(C[N@@H+](CC)[C@H](C)CC)n1 ZINC000061631087 520161933 /nfs/dbraw/zinc/16/19/33/520161933.db2.gz TVDHNSHQZNYNSX-GFCCVEGCSA-N 1 1 283.847 4.177 10 0 CIAEMO CCCNc1ccc(Cl)c(C[N@@H+](CC)[C@@H](C)CC)n1 ZINC000061631086 520162036 /nfs/dbraw/zinc/16/20/36/520162036.db2.gz TVDHNSHQZNYNSX-LBPRGKRZSA-N 1 1 283.847 4.177 10 0 CIAEMO CCCCC[N@@H+](Cc1ccc(Cl)cc1N)C(C)C ZINC000050443169 520175110 /nfs/dbraw/zinc/17/51/10/520175110.db2.gz JVGGANRXXCHGBO-UHFFFAOYSA-N 1 1 268.832 4.323 10 0 CIAEMO CCCCC[N@H+]1C[C@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062705183 520183332 /nfs/dbraw/zinc/18/33/32/520183332.db2.gz TUVPOAKHTAEYPB-RBUKOAKNSA-N 1 1 288.479 4.238 10 0 CIAEMO CCCCCN1C[C@H](CC(C)C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062705183 520183338 /nfs/dbraw/zinc/18/33/38/520183338.db2.gz TUVPOAKHTAEYPB-RBUKOAKNSA-N 1 1 288.479 4.238 10 0 CIAEMO CC[C@H](C)[N@@H+](CC)Cc1ccc(Br)cc1 ZINC000049595465 523935021 /nfs/dbraw/zinc/93/50/21/523935021.db2.gz WOVCKOBYOGFBMZ-NSHDSACASA-N 1 1 270.214 4.070 10 0 CIAEMO CCc1ccc([C@H](C)[NH2+][C@H](C)c2csc(C)n2)cc1 ZINC000036958559 524047535 /nfs/dbraw/zinc/04/75/35/524047535.db2.gz VCQCUCIKUAWKCC-NWDGAFQWSA-N 1 1 274.433 4.426 10 0 CIAEMO C[C@H]([N@@H+](C)Cc1nc2sccc2c(Cl)n1)C(C)(C)C ZINC000050840432 524813817 /nfs/dbraw/zinc/81/38/17/524813817.db2.gz UNGUTHXZASTAKW-VIFPVBQESA-N 1 1 297.855 4.211 10 0 CIAEMO Cc1cc(N)c[nH+]c1Nc1ccc(Cl)c(Cl)c1 ZINC000052812471 525041092 /nfs/dbraw/zinc/04/10/92/525041092.db2.gz OGCWUWBQAFKBHF-UHFFFAOYSA-N 1 1 268.147 4.023 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cn2)o1 ZINC000274884398 525942629 /nfs/dbraw/zinc/94/26/29/525942629.db2.gz ICYVWXIBZKJGON-MNOVXSKESA-N 1 1 264.756 4.048 10 0 CIAEMO C[C@H](c1cccs1)N(C)CC(C)(C)C[NH2+]C(C)(C)C ZINC000051251208 526152398 /nfs/dbraw/zinc/15/23/98/526152398.db2.gz KDRMEMPFSKOGHB-CYBMUJFWSA-N 1 1 282.497 4.155 10 0 CIAEMO CCCC[N@@H+]1CC=C(c2nc3cc(C)c(C)cc3o2)CC1 ZINC000226250915 567039216 /nfs/dbraw/zinc/03/92/16/567039216.db2.gz YHJJJGGDSFMICI-UHFFFAOYSA-N 1 1 284.403 4.334 10 0 CIAEMO CCC[N@@H+]1CC=C(c2nc3ccc(C)cc3s2)CC1 ZINC000073638464 567893416 /nfs/dbraw/zinc/89/34/16/567893416.db2.gz DYLVGAVCXSJSDX-UHFFFAOYSA-N 1 1 272.417 4.104 10 0 CIAEMO c1ccc([C@@H]2C[N@H+](CC3CC3)Cc3ccccc3O2)cc1 ZINC000012132165 567945665 /nfs/dbraw/zinc/94/56/65/567945665.db2.gz VIKDLBDNQGDXMM-IBGZPJMESA-N 1 1 279.383 4.032 10 0 CIAEMO Clc1cc([C@@H]2[NH2+]CCc3sccc32)c(Cl)s1 ZINC000397115263 570289982 /nfs/dbraw/zinc/28/99/82/570289982.db2.gz GVRJMPUYSOAUAX-SNVBAGLBSA-N 1 1 290.240 4.352 10 0 CIAEMO Clc1cc([C@H]2[NH2+]CCc3sccc32)c(Cl)s1 ZINC000397115262 570290098 /nfs/dbraw/zinc/29/00/98/570290098.db2.gz GVRJMPUYSOAUAX-JTQLQIEISA-N 1 1 290.240 4.352 10 0 CIAEMO CC(C)Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2N)cc1 ZINC000082694843 178189957 /nfs/dbraw/zinc/18/99/57/178189957.db2.gz OMPOFQWBMADXCY-UHFFFAOYSA-N 1 1 299.805 4.435 10 0 CIAEMO Cc1ccc2[nH+]c(-c3cccc(Cl)c3Cl)c(N)n2c1 ZINC000104357571 185981652 /nfs/dbraw/zinc/98/16/52/185981652.db2.gz ISVHFJKLCUIEIV-UHFFFAOYSA-N 1 1 292.169 4.199 10 0 CIAEMO C[N@H+]1CCCC[C@H]1[C@@H](c1ccccc1)c1cccc(O)c1 ZINC000005699341 170130481 /nfs/dbraw/zinc/13/04/81/170130481.db2.gz HWUXTANMKXCFCP-OALUTQOASA-N 1 1 281.399 4.008 10 0 CIAEMO CC[N@@H+](C[C@@H](N)c1c(C)cc(C)cc1C)C1CCCCC1 ZINC000020017753 170970805 /nfs/dbraw/zinc/97/08/05/170970805.db2.gz QNQFNEDIHWJRKD-GOSISDBHSA-N 1 1 288.479 4.266 10 0 CIAEMO Cc1nc([C@H](C)[NH2+][C@H](C)c2cccs2)c(C)s1 ZINC000020148660 171037094 /nfs/dbraw/zinc/03/70/94/171037094.db2.gz GGXNLHNPBOBMFI-BDAKNGLRSA-N 1 1 266.435 4.233 10 0 CIAEMO CC[N@@H+]([C@H](CN)c1ccc(SC)cc1)C1CCCCC1 ZINC000020362604 171161397 /nfs/dbraw/zinc/16/13/97/171161397.db2.gz MUVZZMCJFRLYEN-QGZVFWFLSA-N 1 1 292.492 4.063 10 0 CIAEMO [NH3+][C@H](c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000020369168 171166944 /nfs/dbraw/zinc/16/69/44/171166944.db2.gz YNCPWOYHBVFAGG-HNNXBMFYSA-N 1 1 257.720 4.134 10 0 CIAEMO C[C@@H](Nc1ccc(N)c[nH+]1)c1ccc(Cl)cc1Cl ZINC000020381431 171172764 /nfs/dbraw/zinc/17/27/64/171172764.db2.gz FUKQYEQDEFXQMJ-MRVPVSSYSA-N 1 1 282.174 4.144 10 0 CIAEMO Cc1cccc2cc([C@@H]([NH3+])c3ccc(Cl)cc3)oc21 ZINC000020389209 171178224 /nfs/dbraw/zinc/17/82/24/171178224.db2.gz GJSWQBUJCHXBDH-HNNXBMFYSA-N 1 1 271.747 4.443 10 0 CIAEMO Cc1ccc2oc([C@@H]([NH3+])c3ccc(Cl)cc3)cc2c1 ZINC000020389389 171178257 /nfs/dbraw/zinc/17/82/57/171178257.db2.gz ARLPELHSXGQJCU-INIZCTEOSA-N 1 1 271.747 4.443 10 0 CIAEMO CCCC[N@@H+](CC)[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020546819 171244680 /nfs/dbraw/zinc/24/46/80/171244680.db2.gz FBSYDWHCPWAMDU-QGZVFWFLSA-N 1 1 276.468 4.106 10 0 CIAEMO CCCCN(CC)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020546819 171244682 /nfs/dbraw/zinc/24/46/82/171244682.db2.gz FBSYDWHCPWAMDU-QGZVFWFLSA-N 1 1 276.468 4.106 10 0 CIAEMO CC[N@@H+](C[C@H](N)c1cc2ccccc2o1)C1CCCCC1 ZINC000020557012 171250449 /nfs/dbraw/zinc/25/04/49/171250449.db2.gz BSJTXTVIUOSVNW-INIZCTEOSA-N 1 1 286.419 4.087 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+]CCN(C(C)C)C(C)C)cc1C ZINC000020562782 171252277 /nfs/dbraw/zinc/25/22/77/171252277.db2.gz UKHYYOOQRDUHRL-KRWDZBQOSA-N 1 1 276.468 4.073 10 0 CIAEMO Clc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020595848 171264729 /nfs/dbraw/zinc/26/47/29/171264729.db2.gz BYHLWUFMEGUGPZ-KRWDZBQOSA-N 1 1 286.806 4.026 10 0 CIAEMO Cc1ccc(OC[C@H]([NH3+])c2cc3ccccc3o2)c(C)c1 ZINC000021042233 171293601 /nfs/dbraw/zinc/29/36/01/171293601.db2.gz BYLLDVDISRSBQN-HNNXBMFYSA-N 1 1 281.355 4.128 10 0 CIAEMO CCCN1CCC([NH2+]C2CCC(C(C)(C)CC)CC2)CC1 ZINC000021050191 171294982 /nfs/dbraw/zinc/29/49/82/171294982.db2.gz NSRFTMUIINTETM-UHFFFAOYSA-N 1 1 294.527 4.445 10 0 CIAEMO CCCC[N@@H+](C)C[C@H](N)c1ccc(-c2ccccc2)cc1 ZINC000021503844 171307095 /nfs/dbraw/zinc/30/70/95/171307095.db2.gz REJOXBBTXVTQID-IBGZPJMESA-N 1 1 282.431 4.085 10 0 CIAEMO CCCCN(C)C[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000021503844 171307097 /nfs/dbraw/zinc/30/70/97/171307097.db2.gz REJOXBBTXVTQID-IBGZPJMESA-N 1 1 282.431 4.085 10 0 CIAEMO Cc1ccc(NCCc2ccc(Cl)cc2Cl)[nH+]c1 ZINC000021813489 171330995 /nfs/dbraw/zinc/33/09/95/171330995.db2.gz HFHGOXCESSLBDF-UHFFFAOYSA-N 1 1 281.186 4.351 10 0 CIAEMO CC[N@@H+]([C@@H](CN)c1ccc([C@@H]2C[C@@H]2C)o1)C1CCCCC1 ZINC000021817464 171333428 /nfs/dbraw/zinc/33/34/28/171333428.db2.gz XFUMKELCYDFLFX-IMJJTQAJSA-N 1 1 290.451 4.057 10 0 CIAEMO CCN([C@@H](C[NH3+])c1ccc([C@@H]2C[C@@H]2C)o1)C1CCCCC1 ZINC000021817464 171333430 /nfs/dbraw/zinc/33/34/30/171333430.db2.gz XFUMKELCYDFLFX-IMJJTQAJSA-N 1 1 290.451 4.057 10 0 CIAEMO Cc1cc(NC2CCCCC2)c2c3nc[nH]c3ccc2[nH+]1 ZINC000027523497 171519287 /nfs/dbraw/zinc/51/92/87/171519287.db2.gz LMGSLFOZEXBRLT-UHFFFAOYSA-N 1 1 280.375 4.164 10 0 CIAEMO Cc1ccc(C)c(C(=O)[C@@H](C)[N@@H+](C)C2CCCCC2)c1 ZINC000035021271 171940601 /nfs/dbraw/zinc/94/06/01/171940601.db2.gz SBHLZGNMLJDXOE-OAHLLOKOSA-N 1 1 273.420 4.139 10 0 CIAEMO C[C@H](C(=O)c1cccc(Cl)c1)[NH+]1CCCCCCC1 ZINC000035036172 171942524 /nfs/dbraw/zinc/94/25/24/171942524.db2.gz IIWPCICQTDCHIY-CYBMUJFWSA-N 1 1 279.811 4.177 10 0 CIAEMO CC[N@@H+](C1CCCCC1)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000035219741 172060654 /nfs/dbraw/zinc/06/06/54/172060654.db2.gz ANBJLNOBJVXGIT-MOPGFXCFSA-N 1 1 286.463 4.046 10 0 CIAEMO C[NH2+][C@@H](c1cccc(Cl)c1)c1c(F)cc(F)cc1F ZINC000035469560 172220944 /nfs/dbraw/zinc/22/09/44/172220944.db2.gz XCIWOMBGRPJHST-AWEZNQCLSA-N 1 1 285.696 4.066 10 0 CIAEMO COc1cccc2cc([C@@H](C)[NH2+][C@@H](C)c3ccco3)oc21 ZINC000035738560 172391655 /nfs/dbraw/zinc/39/16/55/172391655.db2.gz XTTPTQMTUNKRDT-NWDGAFQWSA-N 1 1 285.343 4.446 10 0 CIAEMO COc1cccc2cc([C@H](C)[NH2+][C@@H](C)c3ccco3)oc21 ZINC000035738558 172391822 /nfs/dbraw/zinc/39/18/22/172391822.db2.gz XTTPTQMTUNKRDT-RYUDHWBXSA-N 1 1 285.343 4.446 10 0 CIAEMO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000038041702 174042956 /nfs/dbraw/zinc/04/29/56/174042956.db2.gz AANPSVZHQAVLNR-LSDHHAIUSA-N 1 1 294.870 4.113 10 0 CIAEMO C[C@@H](CN[C@@H](C)c1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000038041700 174043437 /nfs/dbraw/zinc/04/34/37/174043437.db2.gz AANPSVZHQAVLNR-GJZGRUSLSA-N 1 1 294.870 4.113 10 0 CIAEMO Cc1ccc(C)c([C@H](C)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000038041642 174043686 /nfs/dbraw/zinc/04/36/86/174043686.db2.gz NHCOQTJZEHKOOF-WMZOPIPTSA-N 1 1 288.479 4.076 10 0 CIAEMO Cc1cc2c(s1)C[N@@H+](C)C[C@@H]2c1ccc(Cl)cc1 ZINC000038157560 174134648 /nfs/dbraw/zinc/13/46/48/174134648.db2.gz ONJZZJUKFLMXPJ-CQSZACIVSA-N 1 1 277.820 4.287 10 0 CIAEMO CC(C)c1ccc([C@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789042 174173791 /nfs/dbraw/zinc/17/37/91/174173791.db2.gz MMQNYSUSKZFCLK-DAYGRLMNSA-N 1 1 274.452 4.073 10 0 CIAEMO CC(C)c1ccc([C@H](C[NH3+])N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789042 174173792 /nfs/dbraw/zinc/17/37/92/174173792.db2.gz MMQNYSUSKZFCLK-DAYGRLMNSA-N 1 1 274.452 4.073 10 0 CIAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000039789047 174173822 /nfs/dbraw/zinc/17/38/22/174173822.db2.gz WELXSZRICWNRPA-DAYGRLMNSA-N 1 1 288.479 4.247 10 0 CIAEMO C[C@@H]1CCC[C@H](C)N1[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000039789047 174173823 /nfs/dbraw/zinc/17/38/23/174173823.db2.gz WELXSZRICWNRPA-DAYGRLMNSA-N 1 1 288.479 4.247 10 0 CIAEMO Fc1cccc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000039953770 174177999 /nfs/dbraw/zinc/17/79/99/174177999.db2.gz QQHKQZSDGCYPOJ-UHFFFAOYSA-N 1 1 267.347 4.115 10 0 CIAEMO COc1ccc2[nH+]ccc(Nc3cc(F)cc(F)c3)c2c1 ZINC000041055490 174465057 /nfs/dbraw/zinc/46/50/57/174465057.db2.gz GQGUIYVVJFANHC-UHFFFAOYSA-N 1 1 286.281 4.265 10 0 CIAEMO CC[C@@H](C)[N@@H+](CC)Cc1cc(Br)cs1 ZINC000043687010 175094420 /nfs/dbraw/zinc/09/44/20/175094420.db2.gz ZOAUCINIUWPEGU-SECBINFHSA-N 1 1 276.243 4.131 10 0 CIAEMO CC(C)c1ccc([C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121787 175143370 /nfs/dbraw/zinc/14/33/70/175143370.db2.gz KZRUCTHTDCDVMY-DAYGRLMNSA-N 1 1 275.436 4.106 10 0 CIAEMO CCCC[N@@H+](CC)Cc1ccc(F)c(Br)c1 ZINC000071108341 176033968 /nfs/dbraw/zinc/03/39/68/176033968.db2.gz VTVLBWVWTVUHGK-UHFFFAOYSA-N 1 1 288.204 4.210 10 0 CIAEMO C[N@H+]1C[C@@H]2CCCC[C@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072106130 176316326 /nfs/dbraw/zinc/31/63/26/176316326.db2.gz FEYNATNTSNGKKO-SWLSCSKDSA-N 1 1 284.230 4.367 10 0 CIAEMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2C)o1 ZINC000220914975 260141359 /nfs/dbraw/zinc/14/13/59/260141359.db2.gz JOZVDUVAELYBCA-UONOGXRCSA-N 1 1 258.365 4.012 10 0 CIAEMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2)o1 ZINC000220928274 260141977 /nfs/dbraw/zinc/14/19/77/260141977.db2.gz JAIPAKHUBMFZAP-KBPBESRZSA-N 1 1 258.365 4.012 10 0 CIAEMO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000080265749 260179330 /nfs/dbraw/zinc/17/93/30/260179330.db2.gz LUSXYWZXBUUFNB-CHWSQXEVSA-N 1 1 290.432 4.344 10 0 CIAEMO Oc1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)cc1 ZINC000312611214 260182236 /nfs/dbraw/zinc/18/22/36/260182236.db2.gz JCGDHTZPSTVHEO-UHFFFAOYSA-N 1 1 288.199 4.050 10 0 CIAEMO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc(F)c1F ZINC000090963158 260264241 /nfs/dbraw/zinc/26/42/41/260264241.db2.gz ODIVLEYMISFHEQ-XHDPSFHLSA-N 1 1 289.325 4.139 10 0 CIAEMO CCOc1ccccc1[C@@H](C)[NH2+]Cc1nc(C)c(C)s1 ZINC000153946490 261085731 /nfs/dbraw/zinc/08/57/31/261085731.db2.gz KSXMTXITJSXMDE-GFCCVEGCSA-N 1 1 290.432 4.009 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccnc2Cl)o1 ZINC000158122558 261158975 /nfs/dbraw/zinc/15/89/75/261158975.db2.gz GFCKXIFFOXTBDW-GHMZBOCLSA-N 1 1 264.756 4.048 10 0 CIAEMO C[C@@H](CNc1cc[nH+]cc1Cl)c1ccsc1 ZINC000301595949 261337433 /nfs/dbraw/zinc/33/74/33/261337433.db2.gz ZEFJRLBOHAXJIE-VIFPVBQESA-N 1 1 252.770 4.012 10 0 CIAEMO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000127057945 264246894 /nfs/dbraw/zinc/24/68/94/264246894.db2.gz PQKWBVQFZLSRRE-CYBMUJFWSA-N 1 1 297.377 4.046 10 0 CIAEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000127058116 264247212 /nfs/dbraw/zinc/24/72/12/264247212.db2.gz PQKWBVQFZLSRRE-ZDUSSCGKSA-N 1 1 297.377 4.046 10 0 CIAEMO Cc1nc([C@@H]2CCC[N@@H+]2C/C=C/c2ccccc2)cs1 ZINC000189810842 264327463 /nfs/dbraw/zinc/32/74/63/264327463.db2.gz NVQNFYVPIBFZHQ-MPNRVQBSSA-N 1 1 284.428 4.302 10 0 CIAEMO Cc1nc([C@@H]2CCC[N@H+]2C/C=C/c2ccccc2)cs1 ZINC000189810842 264327464 /nfs/dbraw/zinc/32/74/64/264327464.db2.gz NVQNFYVPIBFZHQ-MPNRVQBSSA-N 1 1 284.428 4.302 10 0 CIAEMO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000172028546 335089842 /nfs/dbraw/zinc/08/98/42/335089842.db2.gz VBZHXLRYYOKDGR-LLVKDONJSA-N 1 1 267.781 4.332 10 0 CIAEMO Clc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000172028546 335089843 /nfs/dbraw/zinc/08/98/43/335089843.db2.gz VBZHXLRYYOKDGR-LLVKDONJSA-N 1 1 267.781 4.332 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2Cl)cc1F ZINC000528441120 327001826 /nfs/dbraw/zinc/00/18/26/327001826.db2.gz WRVPROXPHLOMSH-NSHDSACASA-N 1 1 278.758 4.033 10 0 CIAEMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000092224000 327190422 /nfs/dbraw/zinc/19/04/22/327190422.db2.gz VIBPPFXOIFSLLZ-IBGZPJMESA-N 1 1 291.398 4.213 10 0 CIAEMO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000181114574 329226243 /nfs/dbraw/zinc/22/62/43/329226243.db2.gz ZKFIWMIOPKLZOM-GXTWGEPZSA-N 1 1 282.343 4.319 10 0 CIAEMO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000181114574 329226245 /nfs/dbraw/zinc/22/62/45/329226245.db2.gz ZKFIWMIOPKLZOM-GXTWGEPZSA-N 1 1 282.343 4.319 10 0 CIAEMO C[C@@H]([NH2+]Cc1ccncc1)c1c(Cl)ccc(F)c1Cl ZINC000035790957 330251247 /nfs/dbraw/zinc/25/12/47/330251247.db2.gz ABKLVIUNQYTSTA-SECBINFHSA-N 1 1 299.176 4.378 10 0 CIAEMO CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)c1csc(Cl)c1 ZINC000230409192 333318152 /nfs/dbraw/zinc/31/81/52/333318152.db2.gz FUGSIRBMEMQBRS-WCQYABFASA-N 1 1 288.888 4.028 10 0 CIAEMO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2C)cs1 ZINC000037103520 333482140 /nfs/dbraw/zinc/48/21/40/333482140.db2.gz PLQLXDCAGYXRGP-CHWSQXEVSA-N 1 1 274.433 4.480 10 0 CIAEMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000245507162 334198602 /nfs/dbraw/zinc/19/86/02/334198602.db2.gz POCSYXBGNKIHBZ-WZRBSPASSA-N 1 1 287.325 4.177 10 0 CIAEMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000245507162 334198603 /nfs/dbraw/zinc/19/86/03/334198603.db2.gz POCSYXBGNKIHBZ-WZRBSPASSA-N 1 1 287.325 4.177 10 0 CIAEMO C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247546960 334285272 /nfs/dbraw/zinc/28/52/72/334285272.db2.gz RSFVRRNPPVJICY-DOMZBBRYSA-N 1 1 259.324 4.317 10 0 CIAEMO CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247573867 334286099 /nfs/dbraw/zinc/28/60/99/334286099.db2.gz HNNDDYJAYMTUKL-MSOLQXFVSA-N 1 1 297.446 4.325 10 0 CIAEMO CCC[C@H](C)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000252733975 334388088 /nfs/dbraw/zinc/38/80/88/334388088.db2.gz XQVLCXWXBNYVMS-STQMWFEESA-N 1 1 252.427 4.106 10 0 CIAEMO CC[NH2+][C@H](c1ccccn1)c1cccc(Cl)c1Cl ZINC000055222937 520211985 /nfs/dbraw/zinc/21/19/85/520211985.db2.gz WQFYVYLMKVQFRE-AWEZNQCLSA-N 1 1 281.186 4.087 10 0 CIAEMO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2nccs2)cc1 ZINC000041011934 519449775 /nfs/dbraw/zinc/44/97/75/519449775.db2.gz TZIPCIGLAXBJMP-ZDUSSCGKSA-N 1 1 274.433 4.192 10 0 CIAEMO CCCCC[N@@H+](C)[C@H](CN)c1csc2ccccc21 ZINC000054464061 520154811 /nfs/dbraw/zinc/15/48/11/520154811.db2.gz BVHPGQCUXAPLGF-OAHLLOKOSA-N 1 1 276.449 4.023 10 0 CIAEMO CCCCCN(C)[C@H](C[NH3+])c1csc2ccccc21 ZINC000054464061 520154819 /nfs/dbraw/zinc/15/48/19/520154819.db2.gz BVHPGQCUXAPLGF-OAHLLOKOSA-N 1 1 276.449 4.023 10 0 CIAEMO CCC(CC)n1ccc(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000085173133 521640778 /nfs/dbraw/zinc/64/07/78/521640778.db2.gz BRROXNQGCKXJBZ-LBPRGKRZSA-N 1 1 277.437 4.157 10 0 CIAEMO CC[C@H](C)[N@@H+](CC)Cc1ccc(F)c(Br)c1 ZINC000049595477 523934144 /nfs/dbraw/zinc/93/41/44/523934144.db2.gz MZWFZKKBUSJBBU-JTQLQIEISA-N 1 1 288.204 4.209 10 0 CIAEMO C[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)[C@@H]1C ZINC000050566589 524233128 /nfs/dbraw/zinc/23/31/28/524233128.db2.gz ZEJGQLIHGGJGPH-NXEZZACHSA-N 1 1 288.254 4.131 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2[nH]1)c1ccsc1 ZINC000054376084 525622473 /nfs/dbraw/zinc/62/24/73/525622473.db2.gz BQAXZJFLGJTFCY-MNOVXSKESA-N 1 1 271.389 4.036 10 0 CIAEMO C[C@@H]([NH2+][C@H](C)c1nccs1)c1ccc(Cl)s1 ZINC000070732337 525664133 /nfs/dbraw/zinc/66/41/33/525664133.db2.gz BMHFGLSPWQIWCD-HTQZYQBOSA-N 1 1 272.826 4.270 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nccs2)cc1C ZINC000080268063 525746554 /nfs/dbraw/zinc/74/65/54/525746554.db2.gz DAECPRDLHBZTCF-CHWSQXEVSA-N 1 1 260.406 4.172 10 0 CIAEMO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(Cl)cc1N ZINC000050443111 526147481 /nfs/dbraw/zinc/14/74/81/526147481.db2.gz JQSBQPVCDPAGLD-JTQLQIEISA-N 1 1 280.824 4.177 10 0 CIAEMO Clc1ccc2[nH+]ccc(NCCC3=CCOCC3)c2c1 ZINC000158049297 526971202 /nfs/dbraw/zinc/97/12/02/526971202.db2.gz FWFKKGKTGMLLCG-UHFFFAOYSA-N 1 1 288.778 4.037 10 0 CIAEMO CC[N@@H+]1CC=C(c2nc3c(cccc3Cl)s2)CC1 ZINC000073638854 567893355 /nfs/dbraw/zinc/89/33/55/567893355.db2.gz LGMVGYREZNRJOH-UHFFFAOYSA-N 1 1 278.808 4.059 10 0 CIAEMO C/C=C(\C)C[N@@H+](Cc1ccncc1)Cc1ccc(F)cc1 ZINC000055200346 570241384 /nfs/dbraw/zinc/24/13/84/570241384.db2.gz OWYYLFHGZJKNOK-CRKCGEKBSA-N 1 1 284.378 4.189 10 0 CIAEMO CCCCCC[N@@H+](CCC)C1(CN)CCC(C)CC1 ZINC000110106671 186285811 /nfs/dbraw/zinc/28/58/11/186285811.db2.gz WYGSKEDQUAYBFP-UHFFFAOYSA-N 1 1 268.489 4.186 10 0 CIAEMO c1ccc2c(c1)CCc1cccc3c1[C@@H]2C[N@@H+]1CCCC[C@@H]31 ZINC000001481926 169709542 /nfs/dbraw/zinc/70/95/42/169709542.db2.gz BFHGFZIDLRXFJE-UXHICEINSA-N 1 1 289.422 4.458 10 0 in-man CIAEMO C[N@H+]1CCCC[C@@H]1[C@@H](c1ccccc1)c1cccc(O)c1 ZINC000005699322 170130369 /nfs/dbraw/zinc/13/03/69/170130369.db2.gz HWUXTANMKXCFCP-MOPGFXCFSA-N 1 1 281.399 4.008 10 0 CIAEMO CCC(C)(C)C1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000019230655 170756295 /nfs/dbraw/zinc/75/62/95/170756295.db2.gz QDOPIEKANYQGBR-UHFFFAOYSA-N 1 1 280.500 4.057 10 0 CIAEMO Cc1nc([C@H]([NH3+])c2ccc(Cl)c(Cl)c2)sc1C ZINC000019931437 170930657 /nfs/dbraw/zinc/93/06/57/170930657.db2.gz BKYIMMRCDSGWTD-LLVKDONJSA-N 1 1 287.215 4.115 10 0 CIAEMO Clc1cccc(C[NH2+]Cc2nc3ccccc3s2)c1 ZINC000020136274 171023613 /nfs/dbraw/zinc/02/36/13/171023613.db2.gz QTBJSDYVPINKNU-UHFFFAOYSA-N 1 1 288.803 4.240 10 0 CIAEMO Cc1nc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)c(C)s1 ZINC000020148087 171036014 /nfs/dbraw/zinc/03/60/14/171036014.db2.gz SNWGDSZBLZTDRW-ZJUUUORDSA-N 1 1 278.396 4.311 10 0 CIAEMO [NH3+][C@H](c1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000020369148 171166764 /nfs/dbraw/zinc/16/67/64/171166764.db2.gz DEKPTXKDBJCFSI-HNNXBMFYSA-N 1 1 257.720 4.134 10 0 CIAEMO [NH3+][C@H](c1cc2ccccc2o1)c1ccccc1Cl ZINC000020369132 171166895 /nfs/dbraw/zinc/16/68/95/171166895.db2.gz RBTJSIDIBROUON-HNNXBMFYSA-N 1 1 257.720 4.134 10 0 CIAEMO CCc1ccc2oc([C@@H]([NH3+])c3ccc(F)cc3)cc2c1 ZINC000020389460 171178431 /nfs/dbraw/zinc/17/84/31/171178431.db2.gz JQFDAXXWBAFKJG-KRWDZBQOSA-N 1 1 269.319 4.182 10 0 CIAEMO Cc1cccc2cc([C@H]([NH3+])c3ccc(Cl)cc3)oc21 ZINC000020389214 171178451 /nfs/dbraw/zinc/17/84/51/171178451.db2.gz GJSWQBUJCHXBDH-OAHLLOKOSA-N 1 1 271.747 4.443 10 0 CIAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(Nc1cc(Cl)cc(Cl)c1)C2 ZINC000020523869 171236267 /nfs/dbraw/zinc/23/62/67/171236267.db2.gz DQBVLJDRDSXOLC-AGUYFDCRSA-N 1 1 285.218 4.031 10 0 CIAEMO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C(C)(C)C)cc1 ZINC000020547123 171244328 /nfs/dbraw/zinc/24/43/28/171244328.db2.gz NBKBEFBDGSMCRY-HNNXBMFYSA-N 1 1 290.495 4.223 10 0 CIAEMO C[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC000020547123 171244329 /nfs/dbraw/zinc/24/43/29/171244329.db2.gz NBKBEFBDGSMCRY-HNNXBMFYSA-N 1 1 290.495 4.223 10 0 CIAEMO CC(C)N(CC[NH2+][C@@H](C)c1ccc(Cl)cc1)C(C)C ZINC000020549585 171246214 /nfs/dbraw/zinc/24/62/14/171246214.db2.gz TXAUKUIXDSCCSP-AWEZNQCLSA-N 1 1 282.859 4.109 10 0 CIAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1ccc(F)c(Cl)c1 ZINC000020592727 171261943 /nfs/dbraw/zinc/26/19/43/171261943.db2.gz XOLBVZQZTAUMKI-OAHLLOKOSA-N 1 1 275.710 4.273 10 0 CIAEMO Cc1c2ccccc2oc1[C@@H]([NH3+])c1ccccc1Cl ZINC000020592928 171262626 /nfs/dbraw/zinc/26/26/26/171262626.db2.gz QHQUMEDWTSQIJK-HNNXBMFYSA-N 1 1 271.747 4.443 10 0 CIAEMO [NH3+][C@H]1CCCCCCCCCC[C@H]1N1CCCCC1 ZINC000021499757 171304408 /nfs/dbraw/zinc/30/44/08/171304408.db2.gz NUDNOPCBPQXIST-DLBZAZTESA-N 1 1 266.473 4.083 10 0 CIAEMO CCCN(CCC)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000021790964 171323796 /nfs/dbraw/zinc/32/37/96/171323796.db2.gz KPINGSADBQBUMV-AWEZNQCLSA-N 1 1 289.250 4.115 10 0 CIAEMO CCCC[N@@H+](CC)C[C@@H](N)c1ccc(CC(C)C)cc1 ZINC000022148144 171357522 /nfs/dbraw/zinc/35/75/22/171357522.db2.gz QRQBTADZXBUVQL-GOSISDBHSA-N 1 1 276.468 4.007 10 0 CIAEMO CCCCN(CC)C[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000022148144 171357523 /nfs/dbraw/zinc/35/75/23/171357523.db2.gz QRQBTADZXBUVQL-GOSISDBHSA-N 1 1 276.468 4.007 10 0 CIAEMO C[NH2+][C@@H](c1ccc(F)cc1F)c1ccc(Cl)cc1F ZINC000035491788 172225483 /nfs/dbraw/zinc/22/54/83/172225483.db2.gz LBVSLZJIXJFKNG-CQSZACIVSA-N 1 1 285.696 4.066 10 0 CIAEMO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1occc1C ZINC000035502052 172236766 /nfs/dbraw/zinc/23/67/66/172236766.db2.gz MDTOLXPREMAAAP-SECBINFHSA-N 1 1 276.188 4.265 10 0 CIAEMO C[C@H](Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000037221817 173041997 /nfs/dbraw/zinc/04/19/97/173041997.db2.gz BRGMYYJYIOZQFW-QWRGUYRKSA-N 1 1 287.234 4.136 10 0 CIAEMO CC[C@H](C)[N@H+](CC)CC(=O)c1cc(Cl)ccc1Cl ZINC000037415096 173191566 /nfs/dbraw/zinc/19/15/66/173191566.db2.gz YTAYECZBDWCJJI-JTQLQIEISA-N 1 1 288.218 4.297 10 0 CIAEMO CC[C@H](C)[N@@H+](CC)CC(=O)c1cc(Cl)ccc1Cl ZINC000037415096 173191568 /nfs/dbraw/zinc/19/15/68/173191568.db2.gz YTAYECZBDWCJJI-JTQLQIEISA-N 1 1 288.218 4.297 10 0 CIAEMO CCC(CC)[N@@H+](C)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424971 173199216 /nfs/dbraw/zinc/19/92/16/173199216.db2.gz OWQDHPDOVGSKJT-CQSZACIVSA-N 1 1 289.250 4.114 10 0 CIAEMO CCC(CC)N(C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424971 173199217 /nfs/dbraw/zinc/19/92/17/173199217.db2.gz OWQDHPDOVGSKJT-CQSZACIVSA-N 1 1 289.250 4.114 10 0 CIAEMO CCCCC[N@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424906 173199395 /nfs/dbraw/zinc/19/93/95/173199395.db2.gz RGMZVORXFQXADR-AWEZNQCLSA-N 1 1 289.250 4.115 10 0 CIAEMO CCCCC[N@@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424906 173199399 /nfs/dbraw/zinc/19/93/99/173199399.db2.gz RGMZVORXFQXADR-AWEZNQCLSA-N 1 1 289.250 4.115 10 0 CIAEMO C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1ccc(F)c(Cl)c1 ZINC000038028794 174018765 /nfs/dbraw/zinc/01/87/65/174018765.db2.gz CKRVPSOKRDHKDD-QWHCGFSZSA-N 1 1 298.833 4.004 10 0 CIAEMO Cc1ccc([C@@H](C)[N@H+]2CCc3c(N)cccc3C2)cc1C ZINC000038032671 174028323 /nfs/dbraw/zinc/02/83/23/174028323.db2.gz DAXBASNWBFOKNN-OAHLLOKOSA-N 1 1 280.415 4.005 10 0 CIAEMO C[C@@H](c1cccc(Cl)c1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032660 174028721 /nfs/dbraw/zinc/02/87/21/174028721.db2.gz YZOVZGKNMRJPLN-LBPRGKRZSA-N 1 1 286.806 4.042 10 0 CIAEMO CC(C)(C)[C@H]1CCCC[C@@H]1[N@H+]1CCc2c(N)cccc2C1 ZINC000038032603 174029199 /nfs/dbraw/zinc/02/91/99/174029199.db2.gz BQUSUBIBJRRWLI-WMZOPIPTSA-N 1 1 286.463 4.232 10 0 CIAEMO C[C@@H](CN[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000038041668 174042766 /nfs/dbraw/zinc/04/27/66/174042766.db2.gz LWIIBANFUUDGCK-GJZGRUSLSA-N 1 1 294.870 4.113 10 0 CIAEMO Cc1cc([C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)c(C)s1 ZINC000038041900 174043938 /nfs/dbraw/zinc/04/39/38/174043938.db2.gz XLDKJKBNFISIDB-DZGCQCFKSA-N 1 1 294.508 4.138 10 0 CIAEMO CC[C@@H](C(=O)c1ccccc1)[N@@H+](CC(C)C)C(C)C ZINC000042587763 174809798 /nfs/dbraw/zinc/80/97/98/174809798.db2.gz OYNTVGJOPSCACS-INIZCTEOSA-N 1 1 261.409 4.014 10 0 CIAEMO CC(C)C[N@@H+](Cc1sccc1Br)C(C)C ZINC000043511700 175060069 /nfs/dbraw/zinc/06/00/69/175060069.db2.gz NWYWSJNJTICBPO-UHFFFAOYSA-N 1 1 290.270 4.377 10 0 CIAEMO CC(C)C[C@H](C)[N@@H+](C)Cc1sccc1Br ZINC000043511671 175060176 /nfs/dbraw/zinc/06/01/76/175060176.db2.gz LQXAOXFGSPVJQE-JTQLQIEISA-N 1 1 290.270 4.377 10 0 CIAEMO CCC[N@@H+](Cc1sccc1Br)C(C)C ZINC000043677670 175089016 /nfs/dbraw/zinc/08/90/16/175089016.db2.gz LMFXCFVQTLVQAD-UHFFFAOYSA-N 1 1 276.243 4.131 10 0 CIAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(Br)cs1 ZINC000043686978 175094361 /nfs/dbraw/zinc/09/43/61/175094361.db2.gz IASQYMXEVOGLQL-AOOOYVTPSA-N 1 1 288.254 4.274 10 0 CIAEMO CC(C)C[N@@H+](Cc1cc(Br)cs1)C1CC1 ZINC000043687287 175094860 /nfs/dbraw/zinc/09/48/60/175094860.db2.gz DKXKSWBQYABRBL-UHFFFAOYSA-N 1 1 288.254 4.131 10 0 CIAEMO CCCCC[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000078774908 177385845 /nfs/dbraw/zinc/38/58/45/177385845.db2.gz DVVSTTRKDMNMPM-INIZCTEOSA-N 1 1 261.409 4.029 10 0 CIAEMO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000176154543 335246662 /nfs/dbraw/zinc/24/66/62/335246662.db2.gz NXPFCGAFEVXAGG-JQWIXIFHSA-N 1 1 275.289 4.161 10 0 CIAEMO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1c(F)cccc1F ZINC000037771899 260116280 /nfs/dbraw/zinc/11/62/80/260116280.db2.gz WIQWRJKFNSISAD-MEBBXXQBSA-N 1 1 289.325 4.009 10 0 CIAEMO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)c1ccco1 ZINC000035738994 260152794 /nfs/dbraw/zinc/15/27/94/260152794.db2.gz LBDJTMPPRVOEIP-GHMZBOCLSA-N 1 1 294.192 4.454 10 0 CIAEMO Clc1ccc(Cl)c(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000087759420 260225538 /nfs/dbraw/zinc/22/55/38/260225538.db2.gz RKUDEBOSOHKCEE-CQSZACIVSA-N 1 1 294.181 4.217 10 0 CIAEMO CCCn1ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)c1 ZINC000091012338 260264830 /nfs/dbraw/zinc/26/48/30/260264830.db2.gz FYZICAZZSYYCNO-LBPRGKRZSA-N 1 1 278.346 4.027 10 0 CIAEMO Cc1nc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)sc1C ZINC000153904052 261085180 /nfs/dbraw/zinc/08/51/80/261085180.db2.gz PVYFSXKZMPTTQH-VIFPVBQESA-N 1 1 298.814 4.403 10 0 CIAEMO COc1cccc([C@H](C)[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000175679679 261240002 /nfs/dbraw/zinc/24/00/02/261240002.db2.gz IAHXIPVFVNVVAR-XJKSGUPXSA-N 1 1 271.360 4.186 10 0 CIAEMO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1cscn1 ZINC000534328670 328045901 /nfs/dbraw/zinc/04/59/01/328045901.db2.gz FEFZWNKCZWEIAY-WFASDCNBSA-N 1 1 272.417 4.261 10 0 CIAEMO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cscn1 ZINC000534328669 328046001 /nfs/dbraw/zinc/04/60/01/328046001.db2.gz FEFZWNKCZWEIAY-SWLSCSKDSA-N 1 1 272.417 4.261 10 0 CIAEMO Cc1csc([C@@H]2CCC[N@@H+](C/C=C\c3ccccc3)C2)n1 ZINC000255897712 327026223 /nfs/dbraw/zinc/02/62/23/327026223.db2.gz JXHGJZMBJPMIQU-VWTAQGJOSA-N 1 1 298.455 4.344 10 0 CIAEMO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2nc(C)c(C)s2)o1 ZINC000176382437 329174943 /nfs/dbraw/zinc/17/49/43/329174943.db2.gz VDNPIDHBBREDIV-AWEZNQCLSA-N 1 1 290.432 4.389 10 0 CIAEMO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2nc(C)c(C)s2)o1 ZINC000176382437 329174945 /nfs/dbraw/zinc/17/49/45/329174945.db2.gz VDNPIDHBBREDIV-AWEZNQCLSA-N 1 1 290.432 4.389 10 0 CIAEMO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000181114591 329226326 /nfs/dbraw/zinc/22/63/26/329226326.db2.gz ZKFIWMIOPKLZOM-TZMCWYRMSA-N 1 1 282.343 4.319 10 0 CIAEMO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000181114591 329226327 /nfs/dbraw/zinc/22/63/27/329226327.db2.gz ZKFIWMIOPKLZOM-TZMCWYRMSA-N 1 1 282.343 4.319 10 0 CIAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC000106212498 330333739 /nfs/dbraw/zinc/33/37/39/330333739.db2.gz FTVYVGAVQSGWHL-MSOLQXFVSA-N 1 1 297.446 4.234 10 0 CIAEMO CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000106206418 330333844 /nfs/dbraw/zinc/33/38/44/330333844.db2.gz HNNDDYJAYMTUKL-ZWKOTPCHSA-N 1 1 297.446 4.325 10 0 CIAEMO CC[C@H](Nc1cc[nH+]cc1Cl)c1cccs1 ZINC000086833122 330371106 /nfs/dbraw/zinc/37/11/06/330371106.db2.gz ZGRCYISQLGERBY-JTQLQIEISA-N 1 1 252.770 4.360 10 0 CIAEMO CCC[C@@H](C)[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000187670079 333173546 /nfs/dbraw/zinc/17/35/46/333173546.db2.gz KVUFRAMAXHAUAE-OLZOCXBDSA-N 1 1 296.480 4.003 10 0 CIAEMO CCC[C@@H](C)[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000187670079 333173547 /nfs/dbraw/zinc/17/35/47/333173547.db2.gz KVUFRAMAXHAUAE-OLZOCXBDSA-N 1 1 296.480 4.003 10 0 CIAEMO CC(C)C[C@H](C[NH+](C)C)N[C@H](C)c1csc(Cl)c1 ZINC000230409198 333318102 /nfs/dbraw/zinc/31/81/02/333318102.db2.gz FUGSIRBMEMQBRS-DGCLKSJQSA-N 1 1 288.888 4.028 10 0 CIAEMO FC(F)(F)[C@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000174671260 335163016 /nfs/dbraw/zinc/16/30/16/335163016.db2.gz NPEMVMCDNAZPOG-VIFPVBQESA-N 1 1 286.322 4.075 10 0 CIAEMO C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000078527841 334135151 /nfs/dbraw/zinc/13/51/51/334135151.db2.gz IMONUTBFJBJXHH-OAHLLOKOSA-N 1 1 276.383 4.428 10 0 CIAEMO COc1cccc([C@H](C)[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000246485873 334259781 /nfs/dbraw/zinc/25/97/81/334259781.db2.gz IAHXIPVFVNVVAR-BBRMVZONSA-N 1 1 271.360 4.186 10 0 CIAEMO CC[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1cccs1 ZINC000049531163 522968423 /nfs/dbraw/zinc/96/84/23/522968423.db2.gz NWYLIYKNKMYXGY-SNVBAGLBSA-N 1 1 257.362 4.188 10 0 CIAEMO C[C@@H]([NH2+]Cc1nccs1)c1ccc(C(C)(C)C)cc1 ZINC000041011869 525562926 /nfs/dbraw/zinc/56/29/26/525562926.db2.gz OBADBKCHKARZNC-GFCCVEGCSA-N 1 1 274.433 4.291 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000274947663 525606845 /nfs/dbraw/zinc/60/68/45/525606845.db2.gz UQRRJBRXBHJTQN-ZJUUUORDSA-N 1 1 296.748 4.425 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cn2)o1 ZINC000274884400 525935120 /nfs/dbraw/zinc/93/51/20/525935120.db2.gz ICYVWXIBZKJGON-QWRGUYRKSA-N 1 1 264.756 4.048 10 0 CIAEMO Clc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000061630454 526954682 /nfs/dbraw/zinc/95/46/82/526954682.db2.gz ZNNGFMKKQYIWSJ-NWDGAFQWSA-N 1 1 299.245 4.401 10 0 CIAEMO Clc1ccc(Cl)c(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000061630454 526954684 /nfs/dbraw/zinc/95/46/84/526954684.db2.gz ZNNGFMKKQYIWSJ-NWDGAFQWSA-N 1 1 299.245 4.401 10 0 CIAEMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)cs1 ZINC000036915280 527033216 /nfs/dbraw/zinc/03/32/16/527033216.db2.gz IGMIELBIZCNEJV-NWDGAFQWSA-N 1 1 260.406 4.172 10 0 CIAEMO Clc1cc([C@H]2[NH2+]CCc3ccsc32)c(Cl)s1 ZINC000712526102 567851387 /nfs/dbraw/zinc/85/13/87/567851387.db2.gz ASEQJCPIXJOCFT-SECBINFHSA-N 1 1 290.240 4.352 10 0 CIAEMO CCC[N@@H+]1CC=C(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000073638461 567893581 /nfs/dbraw/zinc/89/35/81/567893581.db2.gz XUMVWUPTZNPPSI-UHFFFAOYSA-N 1 1 286.444 4.412 10 0 CIAEMO Cl[C@]12CCCC[C@@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000005773514 170139183 /nfs/dbraw/zinc/13/91/83/170139183.db2.gz PMKLHZABYQCVLG-CVEARBPZSA-N 1 1 263.812 4.060 10 0 CIAEMO c1ccc2c(c1)CCc1cccc3c1[C@@H]2C[N@@H+]1CCCC[C@H]31 ZINC000005934813 170157625 /nfs/dbraw/zinc/15/76/25/170157625.db2.gz BFHGFZIDLRXFJE-WOJBJXKFSA-N 1 1 289.422 4.458 10 0 in-man CIAEMO Brc1ccccc1[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000006095465 170176034 /nfs/dbraw/zinc/17/60/34/170176034.db2.gz NYBDMYWOGLTJBP-BXUZGUMPSA-N 1 1 280.209 4.139 10 0 CIAEMO Cc1nc([C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)sc1C ZINC000019931435 170930586 /nfs/dbraw/zinc/93/05/86/170930586.db2.gz BKYIMMRCDSGWTD-NSHDSACASA-N 1 1 287.215 4.115 10 0 CIAEMO CCCc1ccc([C@H](C)NCCC[NH+](CC)CC)cc1 ZINC000020011241 170968827 /nfs/dbraw/zinc/96/88/27/170968827.db2.gz WDMNNRATQJDNEN-INIZCTEOSA-N 1 1 276.468 4.022 10 0 CIAEMO CC[N@@H+](C[C@H](N)c1c(C)cc(C)cc1C)C1CCCCC1 ZINC000020017756 170970747 /nfs/dbraw/zinc/97/07/47/170970747.db2.gz QNQFNEDIHWJRKD-SFHVURJKSA-N 1 1 288.479 4.266 10 0 CIAEMO C[C@@H]([NH2+]Cc1nc2ccccc2s1)c1cccc(F)c1 ZINC000020136287 171023742 /nfs/dbraw/zinc/02/37/42/171023742.db2.gz PJQTWIJWNWSEEI-LLVKDONJSA-N 1 1 286.375 4.286 10 0 CIAEMO C[C@H]([NH2+]Cc1nc2ccccc2s1)c1ccc(F)cc1 ZINC000020136166 171024070 /nfs/dbraw/zinc/02/40/70/171024070.db2.gz RSGANCPQRSWHMV-NSHDSACASA-N 1 1 286.375 4.286 10 0 CIAEMO C[C@H]([NH2+]Cc1ccc(Br)o1)c1cccc(F)c1 ZINC000020147805 171034974 /nfs/dbraw/zinc/03/49/74/171034974.db2.gz ACMRGNPDJGCTSX-VIFPVBQESA-N 1 1 298.155 4.032 10 0 CIAEMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cccs2)c(C)s1 ZINC000020148663 171037256 /nfs/dbraw/zinc/03/72/56/171037256.db2.gz GGXNLHNPBOBMFI-DTWKUNHWSA-N 1 1 266.435 4.233 10 0 CIAEMO CC[N@@H+]([C@@H](CN)c1ccc(SC)cc1)C1CCCCC1 ZINC000020362603 171161915 /nfs/dbraw/zinc/16/19/15/171161915.db2.gz MUVZZMCJFRLYEN-KRWDZBQOSA-N 1 1 292.492 4.063 10 0 CIAEMO C[C@H](Nc1ccc(N)[nH+]c1)c1ccc(Cl)cc1Cl ZINC000020381387 171172679 /nfs/dbraw/zinc/17/26/79/171172679.db2.gz RCIZZJCXXFWAKR-QMMMGPOBSA-N 1 1 282.174 4.144 10 0 CIAEMO CCc1ccc(OC[C@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000020557098 171250249 /nfs/dbraw/zinc/25/02/49/171250249.db2.gz UDYOTCBEAYNMBA-INIZCTEOSA-N 1 1 281.355 4.074 10 0 CIAEMO CCC(C)(C)C1CCC(C[NH3+])(N2CCC(C)CC2)CC1 ZINC000020560006 171251497 /nfs/dbraw/zinc/25/14/97/171251497.db2.gz HRSFHCRBAKVTML-UHFFFAOYSA-N 1 1 280.500 4.042 10 0 CIAEMO CC(C)Cc1ccc([C@@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020565732 171254313 /nfs/dbraw/zinc/25/43/13/171254313.db2.gz VSUCVYUTYXKUTJ-FCEWJHQRSA-N 1 1 288.479 4.148 10 0 CIAEMO COc1ccc(C)cc1[C@@H]([NH3+])c1oc2ccccc2c1C ZINC000020592938 171262744 /nfs/dbraw/zinc/26/27/44/171262744.db2.gz LRHNZXKIYRMVMK-QGZVFWFLSA-N 1 1 281.355 4.106 10 0 CIAEMO Clc1ccccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020595873 171264723 /nfs/dbraw/zinc/26/47/23/171264723.db2.gz SYENNRBVQNNNDD-HNNXBMFYSA-N 1 1 286.806 4.026 10 0 CIAEMO CCCC[N@@H+](C)[C@H]1CCCCCCCCCC[C@@H]1N ZINC000021062671 171297462 /nfs/dbraw/zinc/29/74/62/171297462.db2.gz WLZUPZGQJWQLBT-IRXDYDNUSA-N 1 1 268.489 4.329 10 0 CIAEMO CCCCN(C)[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021062671 171297464 /nfs/dbraw/zinc/29/74/64/171297464.db2.gz WLZUPZGQJWQLBT-IRXDYDNUSA-N 1 1 268.489 4.329 10 0 CIAEMO CC(C)c1ccccc1N1Cc2ccccc2C1=[NH2+] ZINC000021502249 171305926 /nfs/dbraw/zinc/30/59/26/171305926.db2.gz MWOYWHVAVSWBDN-UHFFFAOYSA-N 1 1 250.345 4.156 10 0 CIAEMO C[N@@H+]([C@H](CN)c1ccc2ccccc2c1)C1CCCCC1 ZINC000021805228 171327210 /nfs/dbraw/zinc/32/72/10/171327210.db2.gz KZWYNBKCHWBRMY-LJQANCHMSA-N 1 1 282.431 4.104 10 0 CIAEMO CCCc1ccc([C@H](C)[NH2+]CCN(C(C)C)C(C)C)cc1 ZINC000022152851 171359988 /nfs/dbraw/zinc/35/99/88/171359988.db2.gz IGCRREPGZRLZMQ-KRWDZBQOSA-N 1 1 290.495 4.409 10 0 CIAEMO Cc1cccc(C)c1OC[C@H]([NH3+])c1cc2ccccc2o1 ZINC000022153768 171360479 /nfs/dbraw/zinc/36/04/79/171360479.db2.gz KQLDBYCQWBVUEU-HNNXBMFYSA-N 1 1 281.355 4.128 10 0 CIAEMO CC[N@@H+]([C@@H](C)C(=O)c1ccc(F)c(F)c1)C1CCCCC1 ZINC000035022820 171941042 /nfs/dbraw/zinc/94/10/42/171941042.db2.gz GSPWIDYNBNBLHZ-LBPRGKRZSA-N 1 1 295.373 4.191 10 0 CIAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2cc(Cl)ccc2F)C1 ZINC000035283897 172102353 /nfs/dbraw/zinc/10/23/53/172102353.db2.gz SDFJYTIEDNZPLC-VXGBXAGGSA-N 1 1 284.806 4.011 10 0 CIAEMO CC[NH2+][C@H](c1ccc(Cl)s1)c1c(F)cccc1F ZINC000035553296 172259769 /nfs/dbraw/zinc/25/97/69/172259769.db2.gz JOKLSBCUPVKHHR-CYBMUJFWSA-N 1 1 287.762 4.379 10 0 CIAEMO CC(C)[C@@H](O)[N@@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC000035569898 172265452 /nfs/dbraw/zinc/26/54/52/172265452.db2.gz QILIVQLYPIRCPW-HXUWFJFHSA-N 1 1 297.442 4.115 10 0 CIAEMO Cc1cc(Nc2ccc(Cl)cc2Cl)[nH+]cc1N ZINC000036251378 172545415 /nfs/dbraw/zinc/54/54/15/172545415.db2.gz WHCBMQRVSJNTLB-UHFFFAOYSA-N 1 1 268.147 4.023 10 0 CIAEMO Cc1cccc(N[C@H](C)c2c(C)cc(C)[nH+]c2C)c1 ZINC000037185429 173016535 /nfs/dbraw/zinc/01/65/35/173016535.db2.gz AJYUPLCTFUEAOI-OAHLLOKOSA-N 1 1 254.377 4.488 10 0 CIAEMO CC[N@@H+](CC(=O)c1cc(Cl)ccc1Cl)CC(C)C ZINC000037415092 173191976 /nfs/dbraw/zinc/19/19/76/173191976.db2.gz GKTORCVSFQIFTE-UHFFFAOYSA-N 1 1 288.218 4.154 10 0 CIAEMO CC[N@H+](CC(=O)c1cc(Cl)ccc1Cl)CC(C)C ZINC000037415092 173191979 /nfs/dbraw/zinc/19/19/79/173191979.db2.gz GKTORCVSFQIFTE-UHFFFAOYSA-N 1 1 288.218 4.154 10 0 CIAEMO CSc1ccc([C@@H](C)[N@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032663 174028405 /nfs/dbraw/zinc/02/84/05/174028405.db2.gz AGRQVAKBHSHHAL-CYBMUJFWSA-N 1 1 298.455 4.110 10 0 CIAEMO C[C@H](CN[C@@H](C)c1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000038041701 174042724 /nfs/dbraw/zinc/04/27/24/174042724.db2.gz AANPSVZHQAVLNR-CABCVRRESA-N 1 1 294.870 4.113 10 0 CIAEMO Cc1cc([C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)c(C)s1 ZINC000038041899 174044734 /nfs/dbraw/zinc/04/47/34/174044734.db2.gz XLDKJKBNFISIDB-HIFRSBDPSA-N 1 1 294.508 4.138 10 0 CIAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000039789049 174173811 /nfs/dbraw/zinc/17/38/11/174173811.db2.gz WELXSZRICWNRPA-RVKKMQEKSA-N 1 1 288.479 4.247 10 0 CIAEMO C[C@@H]1CCC[C@H](C)N1[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000039789049 174173813 /nfs/dbraw/zinc/17/38/13/174173813.db2.gz WELXSZRICWNRPA-RVKKMQEKSA-N 1 1 288.479 4.247 10 0 CIAEMO COc1ccccc1Nc1cc[nH+]c2ccc(C)cc12 ZINC000041054744 174465029 /nfs/dbraw/zinc/46/50/29/174465029.db2.gz ACRJJNAOOMPVCX-UHFFFAOYSA-N 1 1 264.328 4.295 10 0 CIAEMO CC[N@@H+](Cc1ccc(Br)s1)C1CCCC1 ZINC000043677716 175089129 /nfs/dbraw/zinc/08/91/29/175089129.db2.gz PAFCGQBPDKPCKP-UHFFFAOYSA-N 1 1 288.254 4.275 10 0 CIAEMO CCCC[N@@H+](CC)Cc1cc(Br)cs1 ZINC000043686955 175094400 /nfs/dbraw/zinc/09/44/00/175094400.db2.gz UHXITRJROSCLII-UHFFFAOYSA-N 1 1 276.243 4.133 10 0 CIAEMO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)[C@@H]1C ZINC000071108740 176034136 /nfs/dbraw/zinc/03/41/36/176034136.db2.gz FIGIBVIKHFBVCQ-VXGBXAGGSA-N 1 1 282.225 4.070 10 0 CIAEMO CC(C)c1[nH+]c2cc(N)ccc2n1[C@H]1CCC[C@H]1C ZINC000071209437 176082147 /nfs/dbraw/zinc/08/21/47/176082147.db2.gz GFVHEWFDAPTMMF-RISCZKNCSA-N 1 1 257.381 4.103 10 0 CIAEMO CC(C)c1[nH+]c2cc(N)ccc2n1[C@H]1CCC[C@@H]1C ZINC000071209438 176082176 /nfs/dbraw/zinc/08/21/76/176082176.db2.gz GFVHEWFDAPTMMF-FZMZJTMJSA-N 1 1 257.381 4.103 10 0 CIAEMO COc1ccc(C)cc1[C@H]([NH3+])c1cc2cc(C)ccc2o1 ZINC000071406755 176156262 /nfs/dbraw/zinc/15/62/62/176156262.db2.gz ILCPSZXKXLSDMM-SFHVURJKSA-N 1 1 281.355 4.106 10 0 CIAEMO C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000176154556 335246750 /nfs/dbraw/zinc/24/67/50/335246750.db2.gz NXPFCGAFEVXAGG-PWSUYJOCSA-N 1 1 275.289 4.161 10 0 CIAEMO Cc1nc([C@@H]2CCC[N@@H+]2C/C=C\c2ccccc2)cs1 ZINC000426767529 260221466 /nfs/dbraw/zinc/22/14/66/260221466.db2.gz NVQNFYVPIBFZHQ-OOYWPUHTSA-N 1 1 284.428 4.302 10 0 CIAEMO Cc1nc([C@@H]2CCC[N@H+]2C/C=C\c2ccccc2)cs1 ZINC000426767529 260221468 /nfs/dbraw/zinc/22/14/68/260221468.db2.gz NVQNFYVPIBFZHQ-OOYWPUHTSA-N 1 1 284.428 4.302 10 0 CIAEMO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc(F)c1F ZINC000090963159 260264343 /nfs/dbraw/zinc/26/43/43/260264343.db2.gz ODIVLEYMISFHEQ-IAQYHMDHSA-N 1 1 289.325 4.139 10 0 CIAEMO c1coc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000152049889 261059160 /nfs/dbraw/zinc/05/91/60/261059160.db2.gz ZMOIDHZEFDIOLA-MRXNPFEDSA-N 1 1 283.371 4.206 10 0 CIAEMO C[C@H](CNc1cc[nH+]cc1Cl)c1ccsc1 ZINC000301595948 261337379 /nfs/dbraw/zinc/33/73/79/261337379.db2.gz ZEFJRLBOHAXJIE-SECBINFHSA-N 1 1 252.770 4.012 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)o1 ZINC000164988284 263779369 /nfs/dbraw/zinc/77/93/69/263779369.db2.gz PDEOXAXOZJEIPS-KXBFYZLASA-N 1 1 292.382 4.423 10 0 CIAEMO Cc1ccc([C@@H](C)Nc2cc[nH+]cc2Cl)cc1F ZINC000094957809 265279026 /nfs/dbraw/zinc/27/90/26/265279026.db2.gz GPHJPTSHHHLIFI-SNVBAGLBSA-N 1 1 264.731 4.356 10 0 CIAEMO Clc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)s1 ZINC000172028541 335089807 /nfs/dbraw/zinc/08/98/07/335089807.db2.gz VBZHXLRYYOKDGR-NSHDSACASA-N 1 1 267.781 4.332 10 0 CIAEMO Clc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)s1 ZINC000172028541 335089808 /nfs/dbraw/zinc/08/98/08/335089808.db2.gz VBZHXLRYYOKDGR-NSHDSACASA-N 1 1 267.781 4.332 10 0 CIAEMO C[C@H](CNc1cc[nH+]cc1Cl)c1cccs1 ZINC000301539570 327716821 /nfs/dbraw/zinc/71/68/21/327716821.db2.gz UYRRLOJPHPAMAG-SECBINFHSA-N 1 1 252.770 4.012 10 0 CIAEMO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)cs1 ZINC000036915419 329548767 /nfs/dbraw/zinc/54/87/67/329548767.db2.gz NMHKWGJWHNGTGW-NXEZZACHSA-N 1 1 264.369 4.002 10 0 CIAEMO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1ncc[nH]1 ZINC000138975591 329678579 /nfs/dbraw/zinc/67/85/79/329678579.db2.gz VLBMOJYLSVUQBY-RKDXNWHRSA-N 1 1 284.190 4.128 10 0 CIAEMO CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000106206420 330333850 /nfs/dbraw/zinc/33/38/50/330333850.db2.gz HNNDDYJAYMTUKL-QZTJIDSGSA-N 1 1 297.446 4.325 10 0 CIAEMO CC(C)CCOCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000045093893 330338392 /nfs/dbraw/zinc/33/83/92/330338392.db2.gz ISIKXJBDBSLMHQ-GOSISDBHSA-N 1 1 287.403 4.021 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2Cl)o1 ZINC000166338631 331307012 /nfs/dbraw/zinc/30/70/12/331307012.db2.gz DJHXHGIYCMDXBC-JTQLQIEISA-N 1 1 267.731 4.231 10 0 CIAEMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2C)o1 ZINC000220915047 333170568 /nfs/dbraw/zinc/17/05/68/333170568.db2.gz JOZVDUVAELYBCA-KBPBESRZSA-N 1 1 258.365 4.012 10 0 CIAEMO c1csc([C@@H]2CCCC[N@@H+]2CCCc2ccccc2)n1 ZINC000195361998 333251326 /nfs/dbraw/zinc/25/13/26/333251326.db2.gz LPNUMAJPCYZXHD-INIZCTEOSA-N 1 1 286.444 4.303 10 0 CIAEMO Cc1cnc([C@H](C)Nc2cc[nH+]c3cc(Cl)ccc23)o1 ZINC000235557867 333370988 /nfs/dbraw/zinc/37/09/88/333370988.db2.gz BIBDBKWGHPASNX-JTQLQIEISA-N 1 1 287.750 4.358 10 0 CIAEMO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000125108783 333563890 /nfs/dbraw/zinc/56/38/90/333563890.db2.gz KZCHRXUFLAVLMS-LLVKDONJSA-N 1 1 293.769 4.339 10 0 CIAEMO Cc1oncc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000129687615 333788063 /nfs/dbraw/zinc/78/80/63/333788063.db2.gz JJNRCNFWKGAAFL-MRVPVSSYSA-N 1 1 285.174 4.141 10 0 CIAEMO CCc1ccccc1CNc1cccc2cc[nH+]cc21 ZINC000131426842 333936430 /nfs/dbraw/zinc/93/64/30/333936430.db2.gz SXWZHBLZWLTASK-UHFFFAOYSA-N 1 1 262.356 4.409 10 0 CIAEMO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246927482 334272151 /nfs/dbraw/zinc/27/21/51/334272151.db2.gz IGZJLQTWFZOMCQ-WFASDCNBSA-N 1 1 259.324 4.317 10 0 CIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc(C)c1 ZINC000247196577 334277342 /nfs/dbraw/zinc/27/73/42/334277342.db2.gz BWJPLCXGTVDHGP-YJBOKZPZSA-N 1 1 297.446 4.243 10 0 CIAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC000247558886 334285722 /nfs/dbraw/zinc/28/57/22/334285722.db2.gz FTVYVGAVQSGWHL-ZWKOTPCHSA-N 1 1 297.446 4.234 10 0 CIAEMO Cc1cccc([C@@H](C)[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000089670766 334348511 /nfs/dbraw/zinc/34/85/11/334348511.db2.gz PJDBEJHOGLNGPW-CJNGLKHVSA-N 1 1 299.418 4.303 10 0 CIAEMO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000194184566 336008396 /nfs/dbraw/zinc/00/83/96/336008396.db2.gz WYGAXJLMZZTOSU-ZJUUUORDSA-N 1 1 293.279 4.300 10 0 CIAEMO C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000194184566 336008397 /nfs/dbraw/zinc/00/83/97/336008397.db2.gz WYGAXJLMZZTOSU-ZJUUUORDSA-N 1 1 293.279 4.300 10 0 CIAEMO Clc1ccsc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000194393174 336019530 /nfs/dbraw/zinc/01/95/30/336019530.db2.gz SKCIJGQUHDWJCX-LLVKDONJSA-N 1 1 267.781 4.332 10 0 CIAEMO Clc1ccsc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000194393174 336019531 /nfs/dbraw/zinc/01/95/31/336019531.db2.gz SKCIJGQUHDWJCX-LLVKDONJSA-N 1 1 267.781 4.332 10 0 CIAEMO CC(C)C[C@@H]1C[N@H+](C2CCCCC2)[C@@H](CC(C)C)CN1 ZINC000062671363 519271258 /nfs/dbraw/zinc/27/12/58/519271258.db2.gz GTOFIGAIZYDUFY-AEFFLSMTSA-N 1 1 280.500 4.054 10 0 CIAEMO CCC[C@H](Nc1cc(C)[nH+]c(C)n1)c1cccs1 ZINC000049545857 521179555 /nfs/dbraw/zinc/17/95/55/521179555.db2.gz JQZAGRJOTGTLQA-LBPRGKRZSA-N 1 1 261.394 4.108 10 0 CIAEMO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000036960052 521584713 /nfs/dbraw/zinc/58/47/13/521584713.db2.gz WFPMLHWMHWJAQX-KBPBESRZSA-N 1 1 273.376 4.399 10 0 CIAEMO CCC(CC)n1ccc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000069993336 521640196 /nfs/dbraw/zinc/64/01/96/521640196.db2.gz BIENOABQAYUBBQ-HNNXBMFYSA-N 1 1 285.435 4.403 10 0 CIAEMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(Br)cc1 ZINC000049595464 522085911 /nfs/dbraw/zinc/08/59/11/522085911.db2.gz WOVCKOBYOGFBMZ-LLVKDONJSA-N 1 1 270.214 4.070 10 0 CIAEMO CC[C@H](C1CCCCC1)n1c[nH+]c2cc(N)ccc21 ZINC000052853551 522085896 /nfs/dbraw/zinc/08/58/96/522085896.db2.gz NTXLXKQXCJIFIL-OAHLLOKOSA-N 1 1 257.381 4.150 10 0 CIAEMO CC[C@@H](C1CCCCC1)n1c[nH+]c2cc(N)ccc21 ZINC000052853549 522464857 /nfs/dbraw/zinc/46/48/57/522464857.db2.gz NTXLXKQXCJIFIL-HNNXBMFYSA-N 1 1 257.381 4.150 10 0 CIAEMO CC[C@H]([NH2+][C@@H](C)c1csc(C)n1)c1cccs1 ZINC000049529404 522701677 /nfs/dbraw/zinc/70/16/77/522701677.db2.gz SHMBYLCHPNSGJK-ONGXEEELSA-N 1 1 266.435 4.315 10 0 CIAEMO CCc1ccc([C@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000080265845 524047475 /nfs/dbraw/zinc/04/74/75/524047475.db2.gz OGRSSQSEVDZPPL-NWDGAFQWSA-N 1 1 260.406 4.117 10 0 CIAEMO C[C@@H](C(=O)c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000050565895 524307211 /nfs/dbraw/zinc/30/72/11/524307211.db2.gz DVUGCERFFUQVSH-UPJWGTAASA-N 1 1 279.811 4.032 10 0 CIAEMO C[C@@H](C(=O)c1cccc(Cl)c1)[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000050565895 524307214 /nfs/dbraw/zinc/30/72/14/524307214.db2.gz DVUGCERFFUQVSH-UPJWGTAASA-N 1 1 279.811 4.032 10 0 CIAEMO C[C@@H]([N@@H+](C)Cc1nc2sccc2c(Cl)n1)C(C)(C)C ZINC000050840434 524982330 /nfs/dbraw/zinc/98/23/30/524982330.db2.gz UNGUTHXZASTAKW-SECBINFHSA-N 1 1 297.855 4.211 10 0 CIAEMO Cc1cc(N)c[nH+]c1Nc1cccc(Cl)c1Cl ZINC000052812539 525040883 /nfs/dbraw/zinc/04/08/83/525040883.db2.gz KSJMFYLJIVJKSO-UHFFFAOYSA-N 1 1 268.147 4.023 10 0 CIAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(Br)cs1 ZINC000050566590 525639889 /nfs/dbraw/zinc/63/98/89/525639889.db2.gz ZEJGQLIHGGJGPH-VHSXEESVSA-N 1 1 288.254 4.131 10 0 CIAEMO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000274947658 525660169 /nfs/dbraw/zinc/66/01/69/525660169.db2.gz UQRRJBRXBHJTQN-NXEZZACHSA-N 1 1 296.748 4.425 10 0 CIAEMO Cc1ccsc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000127700272 525844754 /nfs/dbraw/zinc/84/47/54/525844754.db2.gz RIYYUXWMUXBRJG-GFCCVEGCSA-N 1 1 278.446 4.240 10 0 CIAEMO Cc1ccsc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000127700272 525844763 /nfs/dbraw/zinc/84/47/63/525844763.db2.gz RIYYUXWMUXBRJG-GFCCVEGCSA-N 1 1 278.446 4.240 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+]Cc2cnc(C(C)(C)C)s2)o1 ZINC000059180833 525931314 /nfs/dbraw/zinc/93/13/14/525931314.db2.gz PZYHNGFUNOKSHX-NSHDSACASA-N 1 1 278.421 4.193 10 0 CIAEMO Clc1nc(C[NH+]2CCCCCCC2)nc2sccc21 ZINC000050839883 527003598 /nfs/dbraw/zinc/00/35/98/527003598.db2.gz XIYWOWMKRADITE-UHFFFAOYSA-N 1 1 295.839 4.111 10 0 CIAEMO Cc1nc([C@@H]([NH3+])c2csc3ccccc32)sc1C ZINC000054465564 527037762 /nfs/dbraw/zinc/03/77/62/527037762.db2.gz HQGQZJOENOHKSA-ZDUSSCGKSA-N 1 1 274.414 4.023 10 0 CIAEMO CCCC[C@H]1C[N@@H+](Cc2ccncc2)Cc2ccccc2O1 ZINC000011913387 567928761 /nfs/dbraw/zinc/92/87/61/567928761.db2.gz AJPZDPRQZNOOLU-SFHVURJKSA-N 1 1 296.414 4.035 10 0 CIAEMO C[C@@]12C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3[C@@]1(C)CC=CC2 ZINC000095936385 185034200 /nfs/dbraw/zinc/03/42/00/185034200.db2.gz IAKRGBANZNSMTD-XUVXKRRUSA-N 1 1 292.426 4.443 10 0 CIAEMO CCOc1ccc(Nc2cc(C)c3c(O)cccc3[nH+]2)cc1 ZINC000004961199 170045574 /nfs/dbraw/zinc/04/55/74/170045574.db2.gz AQBCEOXRHVUIOL-UHFFFAOYSA-N 1 1 294.354 4.391 10 0 CIAEMO C[N@H+]1CCC[C@@H]2[C@@H]1c1ccccc1[C@@H]2c1ccccc1 ZINC000005966464 170163554 /nfs/dbraw/zinc/16/35/54/170163554.db2.gz ZFTCDHKYTKCNGS-FHWLQOOXSA-N 1 1 263.384 4.215 10 0 CIAEMO COc1ccc(Nc2[nH+]c3ccccc3n2C(C)C)cc1 ZINC000006855771 170249572 /nfs/dbraw/zinc/24/95/72/170249572.db2.gz PYRKRRAGDLPVEE-UHFFFAOYSA-N 1 1 281.359 4.369 10 0 CIAEMO CCc1c(C[N@@H+](C)Cc2ccccc2)csc1C ZINC000006895144 170254108 /nfs/dbraw/zinc/25/41/08/170254108.db2.gz DGXIZQFFMYDZNR-UHFFFAOYSA-N 1 1 259.418 4.251 10 0 CIAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(Br)cc1 ZINC000009997553 170394078 /nfs/dbraw/zinc/39/40/78/170394078.db2.gz PIGIKHPZCSTRDF-TXEJJXNPSA-N 1 1 282.225 4.212 10 0 CIAEMO C[C@@H]([NH2+]Cc1ccc(Br)o1)c1cccc(F)c1 ZINC000020147804 171035624 /nfs/dbraw/zinc/03/56/24/171035624.db2.gz ACMRGNPDJGCTSX-SECBINFHSA-N 1 1 298.155 4.032 10 0 CIAEMO CCCCN(CCCC)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020484816 171224719 /nfs/dbraw/zinc/22/47/19/171224719.db2.gz ZCOSLCWPCJYJKV-MRXNPFEDSA-N 1 1 282.859 4.242 10 0 CIAEMO Cc1ccc(C)c(OC[C@H]([NH3+])c2cc3ccccc3o2)c1 ZINC000020548216 171245557 /nfs/dbraw/zinc/24/55/57/171245557.db2.gz VVEHZJBCSHUDRW-HNNXBMFYSA-N 1 1 281.355 4.128 10 0 CIAEMO CC(C)N(CC[NH2+][C@H](C)c1ccc(Cl)cc1)C(C)C ZINC000020549586 171246174 /nfs/dbraw/zinc/24/61/74/171246174.db2.gz TXAUKUIXDSCCSP-CQSZACIVSA-N 1 1 282.859 4.109 10 0 CIAEMO CCC(C)(C)C1CCC(CN)([N@H+]2CCCC[C@@H]2C)CC1 ZINC000021022144 171290741 /nfs/dbraw/zinc/29/07/41/171290741.db2.gz AQXVWQQKXNGTHP-HJOIGYKYSA-N 1 1 280.500 4.185 10 0 CIAEMO CC[NH+](CC)CCCN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000021791317 171324164 /nfs/dbraw/zinc/32/41/64/171324164.db2.gz LFSDWXAGQYMVNF-KRWDZBQOSA-N 1 1 290.495 4.268 10 0 CIAEMO COc1cccc([C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000029248559 171592446 /nfs/dbraw/zinc/59/24/46/171592446.db2.gz DOMDNBVHXGMNHG-MRXNPFEDSA-N 1 1 273.420 4.207 10 0 CIAEMO CC[C@H](C)C[C@@](CC)(CN)[N@@H+](CC)C1CCCCC1 ZINC000035176732 172030147 /nfs/dbraw/zinc/03/01/47/172030147.db2.gz NKYORAGWJSVATB-RDJZCZTQSA-N 1 1 268.489 4.185 10 0 CIAEMO C[NH2+][C@@H](c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000035463976 172211477 /nfs/dbraw/zinc/21/14/77/172211477.db2.gz VCNHQKDGLXEXPT-AWEZNQCLSA-N 1 1 284.161 4.441 10 0 CIAEMO C[NH2+][C@H](c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000035463978 172211709 /nfs/dbraw/zinc/21/17/09/172211709.db2.gz VCNHQKDGLXEXPT-CQSZACIVSA-N 1 1 284.161 4.441 10 0 CIAEMO C[NH2+][C@H](c1ccc(Cl)cc1)c1c(F)cc(F)cc1F ZINC000035469573 172220980 /nfs/dbraw/zinc/22/09/80/172220980.db2.gz YFSUPJYRKCKQTM-CQSZACIVSA-N 1 1 285.696 4.066 10 0 CIAEMO C[NH2+][C@@H](c1ccc(F)cc1F)c1c(F)cccc1Cl ZINC000035492160 172226226 /nfs/dbraw/zinc/22/62/26/172226226.db2.gz QXKDZISGVNQAJU-AWEZNQCLSA-N 1 1 285.696 4.066 10 0 CIAEMO CC[NH2+][C@@H](c1ccc(F)cc1F)c1ccccc1Cl ZINC000035547311 172255336 /nfs/dbraw/zinc/25/53/36/172255336.db2.gz RQGNXIBJHYLPTL-OAHLLOKOSA-N 1 1 281.733 4.317 10 0 CIAEMO CC[NH2+][C@H](c1ccoc1)c1cc(Cl)ccc1Cl ZINC000035558647 172264125 /nfs/dbraw/zinc/26/41/25/172264125.db2.gz WZYNGDVWPIPXIC-CYBMUJFWSA-N 1 1 270.159 4.285 10 0 CIAEMO Cc1c2cc(C)ccc2oc1[C@@H]([NH3+])c1ccc(F)cc1 ZINC000035630523 172312465 /nfs/dbraw/zinc/31/24/65/172312465.db2.gz ZIAVUHUGDMWQDU-INIZCTEOSA-N 1 1 269.319 4.237 10 0 CIAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(F)cc2Cl)C1 ZINC000037222086 173042319 /nfs/dbraw/zinc/04/23/19/173042319.db2.gz LQRJWWGGJYPQQR-VXGBXAGGSA-N 1 1 284.806 4.011 10 0 CIAEMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037340394 173142621 /nfs/dbraw/zinc/14/26/21/173142621.db2.gz MINPKJJEGCPRHQ-NSHDSACASA-N 1 1 276.767 4.104 10 0 CIAEMO CCC(CC)[N@@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424970 173198897 /nfs/dbraw/zinc/19/88/97/173198897.db2.gz OWQDHPDOVGSKJT-AWEZNQCLSA-N 1 1 289.250 4.114 10 0 CIAEMO CCC(CC)N(C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424970 173198898 /nfs/dbraw/zinc/19/88/98/173198898.db2.gz OWQDHPDOVGSKJT-AWEZNQCLSA-N 1 1 289.250 4.114 10 0 CIAEMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)N1CCCCC1 ZINC000038029067 174018907 /nfs/dbraw/zinc/01/89/07/174018907.db2.gz GHAXCTJLUOGXHR-OLZOCXBDSA-N 1 1 298.833 4.004 10 0 CIAEMO Cc1ccc([C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000038041759 174043040 /nfs/dbraw/zinc/04/30/40/174043040.db2.gz CCUOQVAEAAUPLL-AEFFLSMTSA-N 1 1 288.479 4.076 10 0 CIAEMO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000038041670 174043681 /nfs/dbraw/zinc/04/36/81/174043681.db2.gz LWIIBANFUUDGCK-LSDHHAIUSA-N 1 1 294.870 4.113 10 0 CIAEMO CC[C@H]1CCCC[N@H+]1Cc1cc(Br)cs1 ZINC000043687005 175094301 /nfs/dbraw/zinc/09/43/01/175094301.db2.gz ISCLYPPYCRLWMM-NSHDSACASA-N 1 1 288.254 4.275 10 0 CIAEMO Cc1ccc(C[C@@H]2C3=C(CCCC3)CC[N@@H+]2C)cc1 ZINC000071257387 176095857 /nfs/dbraw/zinc/09/58/57/176095857.db2.gz WUMWCWCKAPJLTK-GOSISDBHSA-N 1 1 255.405 4.112 10 0 CIAEMO C[N@H+]1C[C@@H]2CCCC[C@]2(c2cccc3ccccc32)C1 ZINC000072111387 176317797 /nfs/dbraw/zinc/31/77/97/176317797.db2.gz JUHGVUXNNZSORA-LPHOPBHVSA-N 1 1 265.400 4.213 10 0 CIAEMO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1c(F)cccc1F ZINC000037771898 260116334 /nfs/dbraw/zinc/11/63/34/260116334.db2.gz WIQWRJKFNSISAD-ZUZCIYMTSA-N 1 1 289.325 4.009 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccnc2Cl)o1 ZINC000158122696 261159293 /nfs/dbraw/zinc/15/92/93/261159293.db2.gz GFCKXIFFOXTBDW-MNOVXSKESA-N 1 1 264.756 4.048 10 0 CIAEMO CC/C=C/CC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000184493821 262021285 /nfs/dbraw/zinc/02/12/85/262021285.db2.gz WDIYXKMEPNQKRH-ITDFMYJTSA-N 1 1 250.411 4.026 10 0 CIAEMO CC/C=C/CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000184493841 262021633 /nfs/dbraw/zinc/02/16/33/262021633.db2.gz WDIYXKMEPNQKRH-OOPCZODUSA-N 1 1 250.411 4.026 10 0 CIAEMO Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H](C)c2ccccc2)cs1 ZINC000189809583 264327140 /nfs/dbraw/zinc/32/71/40/264327140.db2.gz LDAUEGWUFSNDGD-DYVFJYSZSA-N 1 1 286.444 4.392 10 0 CIAEMO c1coc([C@H]2CCC[N@@H+]2Cc2cccc3cccnc32)c1 ZINC000116288005 267136823 /nfs/dbraw/zinc/13/68/23/267136823.db2.gz YOBBVZBHEKMHSB-MRXNPFEDSA-N 1 1 278.355 4.165 10 0 CIAEMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)c(OC)c1 ZINC000036922108 326831192 /nfs/dbraw/zinc/83/11/92/326831192.db2.gz JDBIFYLNBCVAGC-CHWSQXEVSA-N 1 1 289.375 4.017 10 0 CIAEMO CSCCC[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173802187 329152637 /nfs/dbraw/zinc/15/26/37/329152637.db2.gz KTGKLHWUMIAPNL-ZDUSSCGKSA-N 1 1 298.521 4.199 10 0 CIAEMO c1coc([C@@H]2CCCN2Cc2cnc(-c3ccccc3)[nH]2)c1 ZINC000179597590 329210213 /nfs/dbraw/zinc/21/02/13/329210213.db2.gz DGTBSKQUZKYGNL-INIZCTEOSA-N 1 1 293.370 4.007 10 0 CIAEMO c1coc([C@@H]2CCC[N@H+]2Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC000179597590 329210214 /nfs/dbraw/zinc/21/02/14/329210214.db2.gz DGTBSKQUZKYGNL-INIZCTEOSA-N 1 1 293.370 4.007 10 0 CIAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC000179597590 329210216 /nfs/dbraw/zinc/21/02/16/329210216.db2.gz DGTBSKQUZKYGNL-INIZCTEOSA-N 1 1 293.370 4.007 10 0 CIAEMO COc1cccc([C@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000175525395 333026168 /nfs/dbraw/zinc/02/61/68/333026168.db2.gz RRUJJXKJNCKNEJ-AAEUAGOBSA-N 1 1 287.325 4.031 10 0 CIAEMO c1csc([C@H]2CCCC[N@@H+]2CCCc2ccccc2)n1 ZINC000195361990 333251271 /nfs/dbraw/zinc/25/12/71/333251271.db2.gz LPNUMAJPCYZXHD-MRXNPFEDSA-N 1 1 286.444 4.303 10 0 CIAEMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000195439383 333253363 /nfs/dbraw/zinc/25/33/63/333253363.db2.gz SKRVSDYYKLWAMM-HNNXBMFYSA-N 1 1 272.417 4.179 10 0 CIAEMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000195439383 333253364 /nfs/dbraw/zinc/25/33/64/333253364.db2.gz SKRVSDYYKLWAMM-HNNXBMFYSA-N 1 1 272.417 4.179 10 0 CIAEMO C(=C/c1ccccc1)\C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195440075 333253439 /nfs/dbraw/zinc/25/34/39/333253439.db2.gz VDSDSCGMAXXFMX-YXMGTMDOSA-N 1 1 284.428 4.384 10 0 CIAEMO C(=C/c1ccccc1)\C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195440075 333253440 /nfs/dbraw/zinc/25/34/40/333253440.db2.gz VDSDSCGMAXXFMX-YXMGTMDOSA-N 1 1 284.428 4.384 10 0 CIAEMO C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193576781 333253628 /nfs/dbraw/zinc/25/36/28/333253628.db2.gz SYGDLWJEVYANNP-QWRGUYRKSA-N 1 1 275.289 4.161 10 0 CIAEMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2C)cs1 ZINC000037103521 333482147 /nfs/dbraw/zinc/48/21/47/333482147.db2.gz PLQLXDCAGYXRGP-QWHCGFSZSA-N 1 1 274.433 4.480 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2F)o1 ZINC000125117484 333564011 /nfs/dbraw/zinc/56/40/11/333564011.db2.gz MSXAEBFQHNVNFL-SNVBAGLBSA-N 1 1 267.731 4.231 10 0 CIAEMO C[C@@H]([NH2+][C@H]1COc2ccccc21)c1cc2ccccc2o1 ZINC000070529284 333814943 /nfs/dbraw/zinc/81/49/43/333814943.db2.gz VTGZOQXNDPIDOO-DOMZBBRYSA-N 1 1 279.339 4.217 10 0 CIAEMO CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000248472707 334303439 /nfs/dbraw/zinc/30/34/39/334303439.db2.gz WJLKTLRPYQKTFP-MAUKXSAKSA-N 1 1 297.446 4.094 10 0 CIAEMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(F)c(Br)c1 ZINC000049595476 522086534 /nfs/dbraw/zinc/08/65/34/522086534.db2.gz MZWFZKKBUSJBBU-SNVBAGLBSA-N 1 1 288.204 4.209 10 0 CIAEMO CC(C)(C)c1[nH+]c2cc(N)ccc2n1-c1cccc(F)c1 ZINC000052842767 519105540 /nfs/dbraw/zinc/10/55/40/519105540.db2.gz UGZMUVRPXNSQDX-UHFFFAOYSA-N 1 1 283.350 4.044 10 0 CIAEMO CC(C)(C)c1[nH+]c2cc(N)ccc2n1C1CCCC1 ZINC000052842092 519105661 /nfs/dbraw/zinc/10/56/61/519105661.db2.gz HGGRGIROYNJREI-UHFFFAOYSA-N 1 1 257.381 4.031 10 0 CIAEMO CCCCC[N@H+]1C[C@@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062705185 520182586 /nfs/dbraw/zinc/18/25/86/520182586.db2.gz TUVPOAKHTAEYPB-RTBURBONSA-N 1 1 288.479 4.238 10 0 CIAEMO CCCCCN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062705185 520182592 /nfs/dbraw/zinc/18/25/92/520182592.db2.gz TUVPOAKHTAEYPB-RTBURBONSA-N 1 1 288.479 4.238 10 0 CIAEMO C[NH2+][C@H](c1ccc(Cl)cc1F)c1cc(C)ccc1F ZINC000062786237 522479589 /nfs/dbraw/zinc/47/95/89/522479589.db2.gz KCWNIZKKTAZCKR-OAHLLOKOSA-N 1 1 281.733 4.235 10 0 CIAEMO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2csc(C)n2)cc1 ZINC000036958556 524026296 /nfs/dbraw/zinc/02/62/96/524026296.db2.gz VCQCUCIKUAWKCC-NEPJUHHUSA-N 1 1 274.433 4.426 10 0 CIAEMO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2csc(C)n2)cc1 ZINC000036958557 524047203 /nfs/dbraw/zinc/04/72/03/524047203.db2.gz VCQCUCIKUAWKCC-RYUDHWBXSA-N 1 1 274.433 4.426 10 0 CIAEMO Cc1cccc(N[C@H](C)c2ccc(Cl)s2)[nH+]1 ZINC000042590661 524697505 /nfs/dbraw/zinc/69/75/05/524697505.db2.gz FCACRQGBLWKIDC-SECBINFHSA-N 1 1 252.770 4.278 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccnc1Cl ZINC000133237603 525606774 /nfs/dbraw/zinc/60/67/74/525606774.db2.gz SPRRARPDEODFTM-VHSXEESVSA-N 1 1 296.748 4.425 10 0 CIAEMO Cc1ccc([C@@H]([NH3+])c2oc3cc(F)ccc3c2C)s1 ZINC000062749468 525768842 /nfs/dbraw/zinc/76/88/42/525768842.db2.gz QBVFHPXJXNCABE-CQSZACIVSA-N 1 1 275.348 4.298 10 0 CIAEMO CCCC[N@@H+]1CC=C(c2nc3cc(CC)ccc3o2)CC1 ZINC000226250927 567039328 /nfs/dbraw/zinc/03/93/28/567039328.db2.gz KCEBHKAZPNATSC-UHFFFAOYSA-N 1 1 284.403 4.279 10 0 CIAEMO CCC(C)(C)C1CCC2(CC1)C(=O)CC[N@@H+]2C(C)C ZINC000712043602 567836991 /nfs/dbraw/zinc/83/69/91/567836991.db2.gz CBGLUHDLDYDXDN-UHFFFAOYSA-N 1 1 265.441 4.035 10 0 CIAEMO CCC(C)(C)C1CCC2(CC1)C(=O)CC[N@H+]2C(C)C ZINC000712043602 567836992 /nfs/dbraw/zinc/83/69/92/567836992.db2.gz CBGLUHDLDYDXDN-UHFFFAOYSA-N 1 1 265.441 4.035 10 0 CIAEMO CCCc1[nH+]c(-c2cccc(Cl)c2Cl)c(N)n1CC ZINC000103501094 185845291 /nfs/dbraw/zinc/84/52/91/185845291.db2.gz GUFAMFRRZRXZJW-UHFFFAOYSA-N 1 1 298.217 4.412 10 0 CIAEMO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCc2c(N)cccc2C1 ZINC000216477810 189704681 /nfs/dbraw/zinc/70/46/81/189704681.db2.gz UAKNIRRVKFLKHP-QOKNQOGYSA-N 1 1 286.463 4.088 10 0 CIAEMO Cc1ccc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000020129432 171017815 /nfs/dbraw/zinc/01/78/15/171017815.db2.gz IIJLBCBSKQDJRX-ZBFHGGJFSA-N 1 1 288.460 4.010 10 0 CIAEMO Cc1ccc([C@H](C)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000020129435 171018171 /nfs/dbraw/zinc/01/81/71/171018171.db2.gz IIJLBCBSKQDJRX-GOEBONIOSA-N 1 1 288.460 4.010 10 0 CIAEMO Clc1ccccc1C[NH2+]Cc1nc2ccccc2s1 ZINC000020135892 171023034 /nfs/dbraw/zinc/02/30/34/171023034.db2.gz DMGMCYODDDFGQZ-UHFFFAOYSA-N 1 1 288.803 4.240 10 0 CIAEMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c(C)s1 ZINC000020148090 171036379 /nfs/dbraw/zinc/03/63/79/171036379.db2.gz SNWGDSZBLZTDRW-VHSXEESVSA-N 1 1 278.396 4.311 10 0 CIAEMO C[C@@H](Nc1ccc(N)[nH+]c1)c1ccc(Cl)cc1Cl ZINC000020381384 171172649 /nfs/dbraw/zinc/17/26/49/171172649.db2.gz RCIZZJCXXFWAKR-MRVPVSSYSA-N 1 1 282.174 4.144 10 0 CIAEMO C[C@H](Nc1[nH+]cccc1N)c1ccc(Cl)cc1Cl ZINC000020381413 171172811 /nfs/dbraw/zinc/17/28/11/171172811.db2.gz SUYRTTSSYYTPNS-QMMMGPOBSA-N 1 1 282.174 4.144 10 0 CIAEMO C[N@@H+](Cc1cccc(-c2ccccc2F)c1)C1CCOCC1 ZINC000020418834 171183967 /nfs/dbraw/zinc/18/39/67/171183967.db2.gz KIAIHDWJYLKSEU-UHFFFAOYSA-N 1 1 299.389 4.104 10 0 CIAEMO C[N@@H+]([C@@H](CN)c1cccc2ccccc21)C1CCCCC1 ZINC000020546512 171244064 /nfs/dbraw/zinc/24/40/64/171244064.db2.gz AYHNVAUTVIPQCP-IBGZPJMESA-N 1 1 282.431 4.104 10 0 CIAEMO CC[C@H]([NH2+]CCN(C(C)C)C(C)C)c1cccc(Cl)c1 ZINC000020548339 171245668 /nfs/dbraw/zinc/24/56/68/171245668.db2.gz RDHWUDLBMZDPRF-KRWDZBQOSA-N 1 1 296.886 4.500 10 0 CIAEMO CC(C)(C)C1CCC([NH2+]CCCN2CCCCC2)CC1 ZINC000020549680 171246614 /nfs/dbraw/zinc/24/66/14/171246614.db2.gz PWZXOSBAUKODEV-UHFFFAOYSA-N 1 1 280.500 4.057 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+]CCN(C(C)C)C(C)C)cc1C ZINC000020562785 171252485 /nfs/dbraw/zinc/25/24/85/171252485.db2.gz UKHYYOOQRDUHRL-QGZVFWFLSA-N 1 1 276.468 4.073 10 0 CIAEMO CC(C)Cc1ccc([C@H](N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020565733 171254244 /nfs/dbraw/zinc/25/42/44/171254244.db2.gz VSUCVYUTYXKUTJ-JTDSTZFVSA-N 1 1 288.479 4.148 10 0 CIAEMO CCC(C)(C)C1CCC(CN)([N@H+]2CCC[C@H](C)C2)CC1 ZINC000021012451 171288191 /nfs/dbraw/zinc/28/81/91/171288191.db2.gz QUYVSBXAFCZFBX-HJOIGYKYSA-N 1 1 280.500 4.042 10 0 CIAEMO C[N@H+](Cc1ccccc1)C1(CN)CCC(C(C)(C)C)CC1 ZINC000021043907 171293753 /nfs/dbraw/zinc/29/37/53/171293753.db2.gz NUKVFKKTDORYKU-UHFFFAOYSA-N 1 1 288.479 4.052 10 0 CIAEMO C[N@@H+](Cc1ccccc1)C1(CN)CCC(C(C)(C)C)CC1 ZINC000021043907 171293754 /nfs/dbraw/zinc/29/37/54/171293754.db2.gz NUKVFKKTDORYKU-UHFFFAOYSA-N 1 1 288.479 4.052 10 0 CIAEMO CN(Cc1ccccc1)C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000021043907 171293755 /nfs/dbraw/zinc/29/37/55/171293755.db2.gz NUKVFKKTDORYKU-UHFFFAOYSA-N 1 1 288.479 4.052 10 0 CIAEMO [NH3+][C@@H]1CCCCCCCCCC[C@@H]1N1CCCCC1 ZINC000021499751 171304626 /nfs/dbraw/zinc/30/46/26/171304626.db2.gz NUDNOPCBPQXIST-SJORKVTESA-N 1 1 266.473 4.083 10 0 CIAEMO C1=CC[C@H](C[NH2+]CC2(N3CCCCC3)CCCCC2)CC1 ZINC000021517109 171313175 /nfs/dbraw/zinc/31/31/75/171313175.db2.gz IRZIHGWCKWDNJG-SFHVURJKSA-N 1 1 290.495 4.121 10 0 CIAEMO CC[C@H](NCCC[NH+](CC)CC)c1cccc(Cl)c1 ZINC000021517842 171314115 /nfs/dbraw/zinc/31/41/15/171314115.db2.gz GYBNMQCEVCTJGV-INIZCTEOSA-N 1 1 282.859 4.113 10 0 CIAEMO CC[NH+](CC)CCCN[C@H](C)c1ccc(CC(C)C)cc1 ZINC000021791321 171324327 /nfs/dbraw/zinc/32/43/27/171324327.db2.gz LFSDWXAGQYMVNF-QGZVFWFLSA-N 1 1 290.495 4.268 10 0 CIAEMO CCC(C)(C)C1CCC(CN)([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000022151203 171358633 /nfs/dbraw/zinc/35/86/33/171358633.db2.gz HLBPBMAINRQWKJ-GIOYIUAESA-N 1 1 294.527 4.288 10 0 CIAEMO C[NH2+][C@@H](c1ccc(Cl)cc1)c1c(F)cccc1Cl ZINC000035464734 172212189 /nfs/dbraw/zinc/21/21/89/172212189.db2.gz WFOOXKIXRFWKNG-AWEZNQCLSA-N 1 1 284.161 4.441 10 0 CIAEMO C[NH2+][C@H](c1occc1C)c1cc(Cl)ccc1Cl ZINC000035501808 172236363 /nfs/dbraw/zinc/23/63/63/172236363.db2.gz OSHCCZNUUXYABV-LBPRGKRZSA-N 1 1 270.159 4.204 10 0 CIAEMO CC[NH2+][C@H](c1ccc(F)cc1F)c1ccccc1Cl ZINC000035547309 172255129 /nfs/dbraw/zinc/25/51/29/172255129.db2.gz RQGNXIBJHYLPTL-HNNXBMFYSA-N 1 1 281.733 4.317 10 0 CIAEMO CC[NH2+][C@@H](c1ccoc1)c1cc(Cl)ccc1Cl ZINC000035558644 172264268 /nfs/dbraw/zinc/26/42/68/172264268.db2.gz WZYNGDVWPIPXIC-ZDUSSCGKSA-N 1 1 270.159 4.285 10 0 CIAEMO CCCCC[N@H+](C)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424907 173199546 /nfs/dbraw/zinc/19/95/46/173199546.db2.gz RGMZVORXFQXADR-CQSZACIVSA-N 1 1 289.250 4.115 10 0 CIAEMO CCCCC[N@@H+](C)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424907 173199547 /nfs/dbraw/zinc/19/95/47/173199547.db2.gz RGMZVORXFQXADR-CQSZACIVSA-N 1 1 289.250 4.115 10 0 CIAEMO C[C@@H](c1ccccc1Cl)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032666 174028343 /nfs/dbraw/zinc/02/83/43/174028343.db2.gz QFSZLHACDGAROM-LBPRGKRZSA-N 1 1 286.806 4.042 10 0 CIAEMO Cc1ccc([C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000038041760 174042913 /nfs/dbraw/zinc/04/29/13/174042913.db2.gz CCUOQVAEAAUPLL-FUHWJXTLSA-N 1 1 288.479 4.076 10 0 CIAEMO Cc1ccc(C)c([C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000038041640 174043422 /nfs/dbraw/zinc/04/34/22/174043422.db2.gz NHCOQTJZEHKOOF-AEFFLSMTSA-N 1 1 288.479 4.076 10 0 CIAEMO CC(C)C[C@@H](C)[N@@H+](C)Cc1sccc1Br ZINC000043511669 175060093 /nfs/dbraw/zinc/06/00/93/175060093.db2.gz LQXAOXFGSPVJQE-SNVBAGLBSA-N 1 1 290.270 4.377 10 0 CIAEMO CC(C)C[N@@H+](Cc1cc(Br)cs1)C(C)C ZINC000043687293 175094895 /nfs/dbraw/zinc/09/48/95/175094895.db2.gz XRCZRPBXDAKQFB-UHFFFAOYSA-N 1 1 290.270 4.377 10 0 CIAEMO CCCC[N@@H+](Cc1cc(Br)cs1)C1CC1 ZINC000043687142 175095075 /nfs/dbraw/zinc/09/50/75/175095075.db2.gz CCZXUSNAAYXNJR-UHFFFAOYSA-N 1 1 288.254 4.275 10 0 CIAEMO C[C@@H]([N@@H+](C)Cc1ccc(Br)cc1)C(C)(C)C ZINC000071108692 176033838 /nfs/dbraw/zinc/03/38/38/176033838.db2.gz QVRSZIMSWVKFGT-LLVKDONJSA-N 1 1 284.241 4.316 10 0 CIAEMO CC[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000071108426 176033939 /nfs/dbraw/zinc/03/39/39/176033939.db2.gz HDQQNHTXCMOEAE-LBPRGKRZSA-N 1 1 282.225 4.071 10 0 CIAEMO CC[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000071108423 176033988 /nfs/dbraw/zinc/03/39/88/176033988.db2.gz HDQQNHTXCMOEAE-GFCCVEGCSA-N 1 1 282.225 4.071 10 0 CIAEMO COc1ccc(C)cc1[C@@H]([NH3+])c1cc2cc(C)ccc2o1 ZINC000071406754 176156355 /nfs/dbraw/zinc/15/63/55/176156355.db2.gz ILCPSZXKXLSDMM-GOSISDBHSA-N 1 1 281.355 4.106 10 0 CIAEMO C[N@H+]1C[C@H]2CCCC[C@@]2(c2ccc3ccccc3c2)C1 ZINC000072106669 176316569 /nfs/dbraw/zinc/31/65/69/176316569.db2.gz BIDMNSYJUSJTRE-MOPGFXCFSA-N 1 1 265.400 4.213 10 0 CIAEMO CCCCC[N@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000078774903 177385992 /nfs/dbraw/zinc/38/59/92/177385992.db2.gz DVVSTTRKDMNMPM-MRXNPFEDSA-N 1 1 261.409 4.029 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccccc1Br ZINC000035738992 260152491 /nfs/dbraw/zinc/15/24/91/260152491.db2.gz LBDJTMPPRVOEIP-MNOVXSKESA-N 1 1 294.192 4.454 10 0 CIAEMO C[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccco1 ZINC000035738991 260152504 /nfs/dbraw/zinc/15/25/04/260152504.db2.gz LBDJTMPPRVOEIP-QWRGUYRKSA-N 1 1 294.192 4.454 10 0 CIAEMO c1coc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000152049956 261058960 /nfs/dbraw/zinc/05/89/60/261058960.db2.gz ZMOIDHZEFDIOLA-INIZCTEOSA-N 1 1 283.371 4.206 10 0 CIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc(C)c1 ZINC000173697750 261168079 /nfs/dbraw/zinc/16/80/79/261168079.db2.gz BWJPLCXGTVDHGP-MAUKXSAKSA-N 1 1 297.446 4.243 10 0 CIAEMO Cc1cc(C[NH2+][C@H](c2ccccc2)c2ccccc2C)on1 ZINC000175172913 261210653 /nfs/dbraw/zinc/21/06/53/261210653.db2.gz MTJMCKUAHXZAMI-LJQANCHMSA-N 1 1 292.382 4.171 10 0 CIAEMO Cc1ccc2cc(C[N@H+]3CCC[C@H]3c3ccco3)ccc2n1 ZINC000187265405 262393960 /nfs/dbraw/zinc/39/39/60/262393960.db2.gz YEBPOKUNHHNOGI-SFHVURJKSA-N 1 1 292.382 4.473 10 0 CIAEMO CC1(C)C[C@H]([NH2+]Cc2ccc(Cl)o2)c2ccccc2O1 ZINC000344668700 265065897 /nfs/dbraw/zinc/06/58/97/265065897.db2.gz XAPFSVFNZAVFQT-ZDUSSCGKSA-N 1 1 291.778 4.325 10 0 CIAEMO Clc1c[nH+]ccc1N[C@H]1CCCc2ccccc21 ZINC000094195485 265223119 /nfs/dbraw/zinc/22/31/19/265223119.db2.gz JNMCBXIJTAUEAZ-AWEZNQCLSA-N 1 1 258.752 4.225 10 0 CIAEMO Clc1c[nH+]ccc1N[C@@H]1CCCc2ccccc21 ZINC000094195486 265223596 /nfs/dbraw/zinc/22/35/96/265223596.db2.gz JNMCBXIJTAUEAZ-CQSZACIVSA-N 1 1 258.752 4.225 10 0 CIAEMO c1nc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cs1 ZINC000069098956 327905758 /nfs/dbraw/zinc/90/57/58/327905758.db2.gz QBXXLTXDSYUPHK-UHFFFAOYSA-N 1 1 280.396 4.100 10 0 CIAEMO C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000048777182 328320410 /nfs/dbraw/zinc/32/04/10/328320410.db2.gz FKXMUANTSLZIMP-NSHDSACASA-N 1 1 285.778 4.067 10 0 CIAEMO Clc1ccc(Cl)c(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000087759421 327006563 /nfs/dbraw/zinc/00/65/63/327006563.db2.gz RKUDEBOSOHKCEE-AWEZNQCLSA-N 1 1 294.181 4.217 10 0 CIAEMO CCc1cc(N[C@@H](C)c2cccc(Cl)c2)nc(C)[nH+]1 ZINC000088058335 327011524 /nfs/dbraw/zinc/01/15/24/327011524.db2.gz KTZZHJWARQQLNX-JTQLQIEISA-N 1 1 275.783 4.174 10 0 CIAEMO Cc1csc([C@H]2CCC[N@@H+](C/C=C\c3ccccc3)C2)n1 ZINC000255897711 327026232 /nfs/dbraw/zinc/02/62/32/327026232.db2.gz JXHGJZMBJPMIQU-OOYWPUHTSA-N 1 1 298.455 4.344 10 0 CIAEMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000092224001 327190484 /nfs/dbraw/zinc/19/04/84/327190484.db2.gz VIBPPFXOIFSLLZ-LJQANCHMSA-N 1 1 291.398 4.213 10 0 CIAEMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2cnn(C(C)C)c2)o1 ZINC000179696132 329211650 /nfs/dbraw/zinc/21/16/50/329211650.db2.gz VEJFBOQHLNVOJL-MRXNPFEDSA-N 1 1 287.407 4.093 10 0 CIAEMO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cnn(C(C)C)c2)o1 ZINC000179696132 329211651 /nfs/dbraw/zinc/21/16/51/329211651.db2.gz VEJFBOQHLNVOJL-MRXNPFEDSA-N 1 1 287.407 4.093 10 0 CIAEMO CC[C@H](c1ccccc1)[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106371452 330337192 /nfs/dbraw/zinc/33/71/92/330337192.db2.gz VZGXNGAKQGLOJS-QGZVFWFLSA-N 1 1 297.446 4.053 10 0 CIAEMO CC[C@H](c1ccccc1)[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106371452 330337193 /nfs/dbraw/zinc/33/71/93/330337193.db2.gz VZGXNGAKQGLOJS-QGZVFWFLSA-N 1 1 297.446 4.053 10 0 CIAEMO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2)o1 ZINC000220928378 333170798 /nfs/dbraw/zinc/17/07/98/333170798.db2.gz JAIPAKHUBMFZAP-KGLIPLIRSA-N 1 1 258.365 4.012 10 0 CIAEMO C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193576790 333253644 /nfs/dbraw/zinc/25/36/44/333253644.db2.gz SYGDLWJEVYANNP-MNOVXSKESA-N 1 1 275.289 4.161 10 0 CIAEMO FC(F)(F)[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000194307377 333268675 /nfs/dbraw/zinc/26/86/75/333268675.db2.gz XVCYBDNWGVUJPE-MRVPVSSYSA-N 1 1 283.746 4.176 10 0 CIAEMO FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000194307377 333268677 /nfs/dbraw/zinc/26/86/77/333268677.db2.gz XVCYBDNWGVUJPE-MRVPVSSYSA-N 1 1 283.746 4.176 10 0 CIAEMO Cc1nc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)cs1 ZINC000126152694 333591399 /nfs/dbraw/zinc/59/13/99/333591399.db2.gz LKVGIVMLAVJGLO-INIZCTEOSA-N 1 1 286.444 4.255 10 0 CIAEMO C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246927451 334272264 /nfs/dbraw/zinc/27/22/64/334272264.db2.gz IGZJLQTWFZOMCQ-DOMZBBRYSA-N 1 1 259.324 4.317 10 0 CIAEMO C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247546969 334285262 /nfs/dbraw/zinc/28/52/62/334285262.db2.gz RSFVRRNPPVJICY-WFASDCNBSA-N 1 1 259.324 4.317 10 0 CIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)c1ccccc1C ZINC000248063252 334294499 /nfs/dbraw/zinc/29/44/99/334294499.db2.gz LZQASIFRRSRISI-QAPCUYQASA-N 1 1 297.446 4.243 10 0 CIAEMO C[C@@H](CC[N@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000248752581 334315919 /nfs/dbraw/zinc/31/59/19/334315919.db2.gz CEFGAKNYHSSBEU-YJBOKZPZSA-N 1 1 283.419 4.131 10 0 CIAEMO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000194184551 336008539 /nfs/dbraw/zinc/00/85/39/336008539.db2.gz WYGAXJLMZZTOSU-UWVGGRQHSA-N 1 1 293.279 4.300 10 0 CIAEMO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000194184551 336008540 /nfs/dbraw/zinc/00/85/40/336008540.db2.gz WYGAXJLMZZTOSU-UWVGGRQHSA-N 1 1 293.279 4.300 10 0 CIAEMO CC(C)C[C@@H]1C[N@H+](C2CCCCC2)[C@H](CC(C)C)CN1 ZINC000062671362 519271756 /nfs/dbraw/zinc/27/17/56/519271756.db2.gz GTOFIGAIZYDUFY-SJLPKXTDSA-N 1 1 280.500 4.054 10 0 CIAEMO CC[NH2+][C@@H](c1ccccn1)c1cccc(Cl)c1Cl ZINC000055222939 520115408 /nfs/dbraw/zinc/11/54/08/520115408.db2.gz WQFYVYLMKVQFRE-CQSZACIVSA-N 1 1 281.186 4.087 10 0 CIAEMO CCCC[N@@H+](Cc1ccc(Cl)cc1N)[C@@H](C)CC ZINC000050443185 520543576 /nfs/dbraw/zinc/54/35/76/520543576.db2.gz NDMIPGFEVNTOSR-LBPRGKRZSA-N 1 1 268.832 4.323 10 0 CIAEMO C[N@@H+](Cc1nc2sccc2c(Cl)n1)C1CCCCC1 ZINC000050839831 523572453 /nfs/dbraw/zinc/57/24/53/523572453.db2.gz CYIYBYQHNZPKEL-UHFFFAOYSA-N 1 1 295.839 4.109 10 0 CIAEMO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000080265843 524027147 /nfs/dbraw/zinc/02/71/47/524027147.db2.gz OGRSSQSEVDZPPL-VXGBXAGGSA-N 1 1 260.406 4.117 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2)o1 ZINC000094826584 525940664 /nfs/dbraw/zinc/94/06/64/525940664.db2.gz CPVWDYAYRMKAHY-MNOVXSKESA-N 1 1 265.303 4.278 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nccs2)c(C)c1 ZINC000080266494 525943892 /nfs/dbraw/zinc/94/38/92/525943892.db2.gz LPJOSDRHJXZUJQ-QWHCGFSZSA-N 1 1 260.406 4.172 10 0 CIAEMO Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000157433935 526302015 /nfs/dbraw/zinc/30/20/15/526302015.db2.gz NGAXWHCPOBCLHQ-OAHLLOKOSA-N 1 1 291.753 4.093 10 0 CIAEMO Nc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000050443249 527451925 /nfs/dbraw/zinc/45/19/25/527451925.db2.gz COFFTWQRVPDJMN-MRXNPFEDSA-N 1 1 278.827 4.077 10 0 CIAEMO CC[N@@H+]1CC=C(c2nc3cc(C(C)C)ccc3o2)CC1 ZINC000073635995 567893223 /nfs/dbraw/zinc/89/32/23/567893223.db2.gz WJFIKGZELPJUNO-UHFFFAOYSA-N 1 1 270.376 4.060 10 0 CIAEMO CC[N@@H+]1CC=C(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000073638458 567893349 /nfs/dbraw/zinc/89/33/49/567893349.db2.gz VHHZBQMGBRLOIQ-UHFFFAOYSA-N 1 1 272.417 4.022 10 0 CIAEMO C[C@]12C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3[C@]1(C)CC=CC2 ZINC000095936386 185034320 /nfs/dbraw/zinc/03/43/20/185034320.db2.gz IAKRGBANZNSMTD-UFYCRDLUSA-N 1 1 292.426 4.443 10 0 CIAEMO CCc1cnc([C@@H](C)Nc2cc[nH+]c3ccsc32)s1 ZINC000301548983 529665177 /nfs/dbraw/zinc/66/51/77/529665177.db2.gz LSSHAHFFMKHOQH-SECBINFHSA-N 1 1 289.429 4.488 10 0 CIAEMO CCCn1c(N)c(-c2ccccc2Cl)[nH+]c1C1CC1 ZINC000103500754 185845618 /nfs/dbraw/zinc/84/56/18/185845618.db2.gz KZNYGBXCQRGSCQ-UHFFFAOYSA-N 1 1 275.783 4.073 10 0 CIAEMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OC)c1-3 ZINC000005833991 170145318 /nfs/dbraw/zinc/14/53/18/170145318.db2.gz PZJGVCFSNKRINT-QGZVFWFLSA-N 1 1 293.410 4.228 10 0 CIAEMO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@@H]3CCCC[C@H]3C[C@@H]12 ZINC000006117794 170177144 /nfs/dbraw/zinc/17/71/44/170177144.db2.gz JUPDIHMJFPDGMY-DEYYWGMASA-N 1 1 280.415 4.277 10 0 in-vitro CIAEMO Clc1ccc(C[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000020135902 171023055 /nfs/dbraw/zinc/02/30/55/171023055.db2.gz MIUAQIFOLJVUSY-UHFFFAOYSA-N 1 1 288.803 4.240 10 0 CIAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000020369173 171167173 /nfs/dbraw/zinc/16/71/73/171167173.db2.gz YNCPWOYHBVFAGG-OAHLLOKOSA-N 1 1 257.720 4.134 10 0 CIAEMO Cc1ccc2oc([C@H]([NH3+])c3ccc(Cl)cc3)cc2c1 ZINC000020389396 171178505 /nfs/dbraw/zinc/17/85/05/171178505.db2.gz ARLPELHSXGQJCU-MRXNPFEDSA-N 1 1 271.747 4.443 10 0 CIAEMO CC[C@@H]([NH2+]CCN(C(C)C)C(C)C)c1cccc(Cl)c1 ZINC000020548337 171245542 /nfs/dbraw/zinc/24/55/42/171245542.db2.gz RDHWUDLBMZDPRF-QGZVFWFLSA-N 1 1 296.886 4.500 10 0 CIAEMO Clc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020595851 171264653 /nfs/dbraw/zinc/26/46/53/171264653.db2.gz YRJWIOANYYCMSA-QGZVFWFLSA-N 1 1 286.806 4.026 10 0 CIAEMO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000021502899 171306212 /nfs/dbraw/zinc/30/62/12/171306212.db2.gz JSWLYNYQCGOPBO-GJZGRUSLSA-N 1 1 294.870 4.255 10 0 CIAEMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000021502899 171306214 /nfs/dbraw/zinc/30/62/14/171306214.db2.gz JSWLYNYQCGOPBO-GJZGRUSLSA-N 1 1 294.870 4.255 10 0 CIAEMO CCCC[N@@H+](C)C[C@@H](N)c1ccc(-c2ccccc2)cc1 ZINC000021503842 171306710 /nfs/dbraw/zinc/30/67/10/171306710.db2.gz REJOXBBTXVTQID-LJQANCHMSA-N 1 1 282.431 4.085 10 0 CIAEMO CCCCN(C)C[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000021503842 171306711 /nfs/dbraw/zinc/30/67/11/171306711.db2.gz REJOXBBTXVTQID-LJQANCHMSA-N 1 1 282.431 4.085 10 0 CIAEMO CC(C)Cc1ccc([C@H](N)C[N@@H+](C)C2CCCCC2)cc1 ZINC000021516748 171312760 /nfs/dbraw/zinc/31/27/60/171312760.db2.gz WNPFEGVOLVJHGX-LJQANCHMSA-N 1 1 288.479 4.149 10 0 CIAEMO CC[NH2+][C@@H](c1ccc(Cl)s1)c1c(F)cccc1F ZINC000035553292 172259997 /nfs/dbraw/zinc/25/99/97/172259997.db2.gz JOKLSBCUPVKHHR-ZDUSSCGKSA-N 1 1 287.762 4.379 10 0 CIAEMO CC[NH2+][C@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000035559208 172264502 /nfs/dbraw/zinc/26/45/02/172264502.db2.gz JDNUFWKNZKENJR-SNVBAGLBSA-N 1 1 276.188 4.347 10 0 CIAEMO Nc1[nH+]c2cc(Cl)ccc2n1-c1ccc(F)c(Cl)c1 ZINC000036889962 172784556 /nfs/dbraw/zinc/78/45/56/172784556.db2.gz YRKGVXNKPLXQJQ-UHFFFAOYSA-N 1 1 296.132 4.054 10 0 CIAEMO Cc1cc(C)c([C@@H](C)Nc2cccc(F)c2)c(C)[nH+]1 ZINC000037202727 173026003 /nfs/dbraw/zinc/02/60/03/173026003.db2.gz NHUVVVGNHJPNJL-CYBMUJFWSA-N 1 1 258.340 4.319 10 0 CIAEMO Cc1cc(C)c([C@H](C)Nc2cccc(F)c2)c(C)[nH+]1 ZINC000037202728 173026143 /nfs/dbraw/zinc/02/61/43/173026143.db2.gz NHUVVVGNHJPNJL-ZDUSSCGKSA-N 1 1 258.340 4.319 10 0 CIAEMO CC[N@H+]1CCC[C@H]([C@@H](C)Nc2ccc(F)cc2Cl)C1 ZINC000037222085 173042007 /nfs/dbraw/zinc/04/20/07/173042007.db2.gz LQRJWWGGJYPQQR-NEPJUHHUSA-N 1 1 284.806 4.011 10 0 CIAEMO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032642 174028579 /nfs/dbraw/zinc/02/85/79/174028579.db2.gz RSXYDQWMNSQGOM-GFCCVEGCSA-N 1 1 286.806 4.042 10 0 CIAEMO CC(C)C[N@@H+](Cc1ccc(Br)s1)C(C)C ZINC000043678291 175089041 /nfs/dbraw/zinc/08/90/41/175089041.db2.gz UTLFQTDFOQFDMW-UHFFFAOYSA-N 1 1 290.270 4.377 10 0 CIAEMO CCC[N@@H+](Cc1ccc(Br)s1)C(C)C ZINC000043677667 175089239 /nfs/dbraw/zinc/08/92/39/175089239.db2.gz OFVMGPHGVAGYTH-UHFFFAOYSA-N 1 1 276.243 4.131 10 0 CIAEMO CC[C@H](C)[N@@H+](CC)Cc1cc(Br)cs1 ZINC000043687012 175094332 /nfs/dbraw/zinc/09/43/32/175094332.db2.gz ZOAUCINIUWPEGU-VIFPVBQESA-N 1 1 276.243 4.131 10 0 CIAEMO CC(C)C[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC000071108605 176034024 /nfs/dbraw/zinc/03/40/24/176034024.db2.gz XRKHGEFPLSSFAJ-UHFFFAOYSA-N 1 1 284.241 4.316 10 0 CIAEMO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc(F)c1F ZINC000090963160 260264178 /nfs/dbraw/zinc/26/41/78/260264178.db2.gz ODIVLEYMISFHEQ-NHYWBVRUSA-N 1 1 289.325 4.139 10 0 CIAEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccccc1F ZINC000127044808 264246921 /nfs/dbraw/zinc/24/69/21/264246921.db2.gz AWTNSOPCGSONPK-ZDUSSCGKSA-N 1 1 297.377 4.046 10 0 CIAEMO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccccc1F ZINC000127044536 264247108 /nfs/dbraw/zinc/24/71/08/264247108.db2.gz AWTNSOPCGSONPK-CYBMUJFWSA-N 1 1 297.377 4.046 10 0 CIAEMO Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116289344 267136367 /nfs/dbraw/zinc/13/63/67/267136367.db2.gz VHTLWBLUGBNHKV-MRXNPFEDSA-N 1 1 296.345 4.304 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)nc2)o1 ZINC000179096279 327799230 /nfs/dbraw/zinc/79/92/30/327799230.db2.gz KGXHJQBWGPTJLJ-MNOVXSKESA-N 1 1 264.756 4.048 10 0 CIAEMO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cscn1 ZINC000534328668 328046129 /nfs/dbraw/zinc/04/61/29/328046129.db2.gz FEFZWNKCZWEIAY-IUODEOHRSA-N 1 1 272.417 4.261 10 0 CIAEMO Clc1sccc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000312583632 326919193 /nfs/dbraw/zinc/91/91/93/326919193.db2.gz YZCGECIVJUAIID-GFCCVEGCSA-N 1 1 279.792 4.015 10 0 CIAEMO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1nnc(-c2ccccc2)o1 ZINC000176205434 329172484 /nfs/dbraw/zinc/17/24/84/329172484.db2.gz JDPNXLLZLXCYIM-NWDGAFQWSA-N 1 1 299.399 4.210 10 0 CIAEMO CC(C)CCOCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000045093892 330338442 /nfs/dbraw/zinc/33/84/42/330338442.db2.gz ISIKXJBDBSLMHQ-SFHVURJKSA-N 1 1 287.403 4.021 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2Cl)o1 ZINC000166338516 331306950 /nfs/dbraw/zinc/30/69/50/331306950.db2.gz DJHXHGIYCMDXBC-SNVBAGLBSA-N 1 1 267.731 4.231 10 0 CIAEMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249810121 334340552 /nfs/dbraw/zinc/34/05/52/334340552.db2.gz YILBKZFXKLJHHY-GXSJLCMTSA-N 1 1 293.279 4.300 10 0 CIAEMO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249810121 334340553 /nfs/dbraw/zinc/34/05/53/334340553.db2.gz YILBKZFXKLJHHY-GXSJLCMTSA-N 1 1 293.279 4.300 10 0 CIAEMO Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CCC1(C)C ZINC000311667707 333071127 /nfs/dbraw/zinc/07/11/27/333071127.db2.gz XULLVFNZHJICAN-INIZCTEOSA-N 1 1 258.409 4.196 10 0 CIAEMO CCC[C@H](C)[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000187670097 333173726 /nfs/dbraw/zinc/17/37/26/333173726.db2.gz KVUFRAMAXHAUAE-STQMWFEESA-N 1 1 296.480 4.003 10 0 CIAEMO CCC[C@H](C)[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000187670097 333173727 /nfs/dbraw/zinc/17/37/27/333173727.db2.gz KVUFRAMAXHAUAE-STQMWFEESA-N 1 1 296.480 4.003 10 0 CIAEMO Cc1cnc([C@@H](C)Nc2cc[nH+]c3cc(Cl)ccc23)o1 ZINC000235224796 333366779 /nfs/dbraw/zinc/36/67/79/333366779.db2.gz BIBDBKWGHPASNX-SNVBAGLBSA-N 1 1 287.750 4.358 10 0 CIAEMO FC(F)(F)[C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000174671275 335163014 /nfs/dbraw/zinc/16/30/14/335163014.db2.gz NPEMVMCDNAZPOG-SECBINFHSA-N 1 1 286.322 4.075 10 0 CIAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OC(C)(C)C3)o1 ZINC000080507884 334172289 /nfs/dbraw/zinc/17/22/89/334172289.db2.gz SNMOALYEPYIFSR-CYBMUJFWSA-N 1 1 285.387 4.152 10 0 CIAEMO COc1cccc([C@@H](C)[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000246485890 334259757 /nfs/dbraw/zinc/25/97/57/334259757.db2.gz IAHXIPVFVNVVAR-CJNGLKHVSA-N 1 1 271.360 4.186 10 0 CIAEMO C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246872033 334270847 /nfs/dbraw/zinc/27/08/47/334270847.db2.gz FOFVQYXFPLWDJZ-DOMZBBRYSA-N 1 1 259.324 4.317 10 0 CIAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000247527596 334284236 /nfs/dbraw/zinc/28/42/36/334284236.db2.gz NYSQSYUVJKAKRS-SJLPKXTDSA-N 1 1 297.446 4.152 10 0 CIAEMO Cc1cccc([C@H](C)[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000089670765 334348421 /nfs/dbraw/zinc/34/84/21/334348421.db2.gz PJDBEJHOGLNGPW-XJKSGUPXSA-N 1 1 299.418 4.303 10 0 CIAEMO CCCN[C@@H](CC[NH+](CC)CC)c1ccc(Cl)cc1 ZINC000053976384 519995851 /nfs/dbraw/zinc/99/58/51/519995851.db2.gz FJZJFTJKQHWBQI-INIZCTEOSA-N 1 1 282.859 4.113 10 0 CIAEMO CC(C)C[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1C1CCCCC1 ZINC000062671364 519273038 /nfs/dbraw/zinc/27/30/38/519273038.db2.gz GTOFIGAIZYDUFY-FUHWJXTLSA-N 1 1 280.500 4.054 10 0 CIAEMO CCCCCC[N@H+]1C[C@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062672065 520079622 /nfs/dbraw/zinc/07/96/22/520079622.db2.gz PMFZVCODOLPCKD-ROUUACIJSA-N 1 1 282.516 4.301 10 0 CIAEMO CCCNc1ccc(Cl)c(C[N@@H+](CCC)C(C)C)n1 ZINC000061631095 520162156 /nfs/dbraw/zinc/16/21/56/520162156.db2.gz HEFQWXSVTWZMLS-UHFFFAOYSA-N 1 1 283.847 4.177 10 0 CIAEMO CC[C@@H]([NH2+][C@@H](C)c1csc(C)n1)c1cccs1 ZINC000049529405 522916679 /nfs/dbraw/zinc/91/66/79/522916679.db2.gz SHMBYLCHPNSGJK-GXSJLCMTSA-N 1 1 266.435 4.315 10 0 CIAEMO Cc1cc(C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000044692315 524765144 /nfs/dbraw/zinc/76/51/44/524765144.db2.gz BMZQUXFUKAQKDJ-ZDUSSCGKSA-N 1 1 272.392 4.131 10 0 CIAEMO Cc1ccc(N[C@@H](C)c2ccc(Br)cc2)[nH+]c1 ZINC000049526220 525310040 /nfs/dbraw/zinc/31/00/40/525310040.db2.gz YRWTYQUXKQPFGU-NSHDSACASA-N 1 1 291.192 4.326 10 0 CIAEMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)c(F)c1 ZINC000037280628 525328039 /nfs/dbraw/zinc/32/80/39/525328039.db2.gz YBZBWARKNGTKQN-RYUDHWBXSA-N 1 1 277.339 4.148 10 0 CIAEMO Cc1ccccc1[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000042337810 525420387 /nfs/dbraw/zinc/42/03/87/525420387.db2.gz RAKSIUBVAGZXLC-LBPRGKRZSA-N 1 1 251.333 4.044 10 0 CIAEMO C[C@H]([NH2+]Cc1nccs1)c1ccc(C(C)(C)C)cc1 ZINC000041011867 525490996 /nfs/dbraw/zinc/49/09/96/525490996.db2.gz OBADBKCHKARZNC-LBPRGKRZSA-N 1 1 274.433 4.291 10 0 CIAEMO C[C@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)c1ncc[nH]1 ZINC000138977890 525529050 /nfs/dbraw/zinc/52/90/50/525529050.db2.gz IUDLKRYDDWLLHX-STQMWFEESA-N 1 1 271.408 4.119 10 0 CIAEMO Cc1ccc[nH+]c1N[C@@H](C)c1ccc(Br)cc1 ZINC000051041119 525543354 /nfs/dbraw/zinc/54/33/54/525543354.db2.gz JBCOYDMKSZEOLL-NSHDSACASA-N 1 1 291.192 4.326 10 0 CIAEMO Cc1ccc[nH+]c1N[C@H](C)c1ccc(Cl)s1 ZINC000051041084 525544579 /nfs/dbraw/zinc/54/45/79/525544579.db2.gz OSSNVWAMEXCAAG-SECBINFHSA-N 1 1 252.770 4.278 10 0 CIAEMO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)c1nccs1 ZINC000070984329 525660079 /nfs/dbraw/zinc/66/00/79/525660079.db2.gz NQKKPTLLFOOVJK-RKDXNWHRSA-N 1 1 284.787 4.347 10 0 CIAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nccs2)cc1C ZINC000080268064 525943858 /nfs/dbraw/zinc/94/38/58/525943858.db2.gz DAECPRDLHBZTCF-QWHCGFSZSA-N 1 1 260.406 4.172 10 0 CIAEMO Cc1[nH+]c2cc(N)ccc2n1-c1ccc(Cl)cc1Cl ZINC000052842727 527122814 /nfs/dbraw/zinc/12/28/14/527122814.db2.gz HNAOTHHXWRXAQI-UHFFFAOYSA-N 1 1 292.169 4.223 10 0 CIAEMO CCCC[N@@H+]1CC=C(c2nc3cc(C)cc(C)c3o2)CC1 ZINC000226250902 567039174 /nfs/dbraw/zinc/03/91/74/567039174.db2.gz AQKWGINTRVVVRF-UHFFFAOYSA-N 1 1 284.403 4.334 10 0 CIAEMO C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1Nc1ccccc1 ZINC000032235568 567886124 /nfs/dbraw/zinc/88/61/24/567886124.db2.gz JQELYMOBBRDROY-PXNSSMCTSA-N 1 1 294.442 4.052 10 0 in-vitro CIAEMO Cc1cccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1Br ZINC000725262760 567923058 /nfs/dbraw/zinc/92/30/58/567923058.db2.gz LWPDSRPZVQOCMO-TXEJJXNPSA-N 1 1 296.252 4.235 10 0 CIAEMO CC[C@]12CCC[N@@H+](C1)CCc1c3ccccc3[nH]c1CC2 ZINC000004097967 571686175 /nfs/dbraw/zinc/68/61/75/571686175.db2.gz FDNDLNFGITWTOZ-LJQANCHMSA-N 1 1 282.431 4.149 10 0 endogenous,in-man CIAEMO