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](c1nc(-c2cccnc2)no1)[N@H+]1CC=C(c2cccs2)CC1 ZINC000117896181 1031267830 /nfs/dbraw/zinc/26/78/30/1031267830.db2.gz MDPRWLOMCGYYBR-CYBMUJFWSA-N 1 2 338.436 4.043 10 0 EIAELO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117896181 1031267844 /nfs/dbraw/zinc/26/78/44/1031267844.db2.gz MDPRWLOMCGYYBR-CYBMUJFWSA-N 1 2 338.436 4.043 10 0 EIAELO Nc1[nH+]cc(C(F)(F)F)cc1Nc1ccccc1Br ZINC000020318301 202037507 /nfs/dbraw/zinc/03/75/07/202037507.db2.gz LXINNXNROMHJBN-UHFFFAOYSA-N 1 2 332.123 4.189 10 0 EIAELO CCCCCCn1c(CCCCCNC(C)=O)[nH+]c2ccccc21 ZINC000035146600 202288762 /nfs/dbraw/zinc/28/87/62/202288762.db2.gz QTFGWIZQPUBMNL-UHFFFAOYSA-N 1 2 329.488 4.466 10 0 EIAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1Cl ZINC000040295722 202309408 /nfs/dbraw/zinc/30/94/08/202309408.db2.gz CYNAGGZHXGDIAV-UHFFFAOYSA-N 1 2 327.815 4.281 10 0 EIAELO Nc1c(NCCC2=CCCCC2)[nH+]cnc1N1CCc2ccccc21 ZINC000040687330 202458562 /nfs/dbraw/zinc/45/85/62/202458562.db2.gz CQTLQGPDHZUDSX-UHFFFAOYSA-N 1 2 335.455 4.055 10 0 EIAELO CC(C)[NH+](c1ccc(N)cc1C(=O)N1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000226323556 205129420 /nfs/dbraw/zinc/12/94/20/205129420.db2.gz CNRIYIYOCYWCKV-IYBDPMFKSA-N 1 2 331.504 4.010 10 0 EIAELO Cc1cc(N)c(NC(=O)c2ccccc2F)cc1[NH+]1CCC(C)CC1 ZINC000226329963 205129577 /nfs/dbraw/zinc/12/95/77/205129577.db2.gz LIHSEYTVHVWSHY-UHFFFAOYSA-N 1 2 341.430 4.205 10 0 EIAELO Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1[N@H+]1CCCC[C@@H]1C ZINC000226330373 205128987 /nfs/dbraw/zinc/12/89/87/205128987.db2.gz ALRAXQBCTNEBDX-AWEZNQCLSA-N 1 2 341.430 4.347 10 0 EIAELO Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1[N@@H+]1CCCC[C@@H]1C ZINC000226330373 205128991 /nfs/dbraw/zinc/12/89/91/205128991.db2.gz ALRAXQBCTNEBDX-AWEZNQCLSA-N 1 2 341.430 4.347 10 0 EIAELO Oc1ccc([NH+]2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000035080364 526351401 /nfs/dbraw/zinc/35/14/01/526351401.db2.gz DAQZDTIIIPKVFW-UHFFFAOYSA-N 1 2 337.341 4.459 10 0 EIAELO C[C@H](Nc1ccc(N(C)C)[nH+]c1)c1ccc(Br)s1 ZINC000038002667 202383999 /nfs/dbraw/zinc/38/39/99/202383999.db2.gz WDCDFWBYACWAMG-VIFPVBQESA-N 1 2 326.263 4.145 10 0 EIAELO C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)C(=O)[C@@H](c2cccc(Cl)c2)C1 ZINC000255995043 201189625 /nfs/dbraw/zinc/18/96/25/201189625.db2.gz POXOWTWAYFMUDK-DLBZAZTESA-N 1 2 334.246 4.375 10 0 EIAELO C[N@H+]1C[C@@H](c2ccc(Cl)cc2)C(=O)[C@@H](c2cccc(Cl)c2)C1 ZINC000255995043 201189627 /nfs/dbraw/zinc/18/96/27/201189627.db2.gz POXOWTWAYFMUDK-DLBZAZTESA-N 1 2 334.246 4.375 10 0 EIAELO COc1c(C)c[nH+]c(CNc2ccc(Br)cc2F)c1C ZINC000020045367 212096957 /nfs/dbraw/zinc/09/69/57/212096957.db2.gz FETOHROLGNWHII-UHFFFAOYSA-N 1 2 339.208 4.221 10 0 EIAELO Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1[NH+]1CCCC1 ZINC000226330598 205128592 /nfs/dbraw/zinc/12/85/92/205128592.db2.gz YFUOIHZFKNFORY-UHFFFAOYSA-N 1 2 329.831 4.083 10 0 EIAELO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1nccn1C(F)F ZINC000122107703 1031444746 /nfs/dbraw/zinc/44/47/46/1031444746.db2.gz ZARLVJYEGGPYBK-CYBMUJFWSA-N 1 2 341.789 4.244 10 0 EIAELO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(Br)s1 ZINC000035037575 202285077 /nfs/dbraw/zinc/28/50/77/202285077.db2.gz NLEVHFKQCNBYAH-VXGBXAGGSA-N 1 2 342.302 4.205 10 0 EIAELO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(Br)s1 ZINC000035037575 202285081 /nfs/dbraw/zinc/28/50/81/202285081.db2.gz NLEVHFKQCNBYAH-VXGBXAGGSA-N 1 2 342.302 4.205 10 0 EIAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 ZINC000040295742 202309676 /nfs/dbraw/zinc/30/96/76/202309676.db2.gz NBCGGLCGNXMEDL-UHFFFAOYSA-N 1 2 327.815 4.281 10 0 EIAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000226254956 205121643 /nfs/dbraw/zinc/12/16/43/205121643.db2.gz IRMLCBUQLACUBX-UHFFFAOYSA-N 1 2 329.831 4.165 10 0 EIAELO CC[C@@H]1C[NH+](Cc2cccc(C)c2Br)C[C@@H](CC)O1 ZINC000725262829 563986392 /nfs/dbraw/zinc/98/63/92/563986392.db2.gz WPPJNDLJGIAVMH-HUUCEWRRSA-N 1 2 326.278 4.147 10 0 EIAELO O[C@@H](c1ccc2c(c1)C[N@@H+](Cc1ccoc1)CCO2)C1CCCCC1 ZINC000012281523 564033397 /nfs/dbraw/zinc/03/33/97/564033397.db2.gz PAYWAZJHZCSAJF-OAQYLSRUSA-N 1 2 341.451 4.288 10 0 EIAELO O[C@@H](c1ccc2c(c1)C[N@H+](Cc1ccoc1)CCO2)C1CCCCC1 ZINC000012281523 564033398 /nfs/dbraw/zinc/03/33/98/564033398.db2.gz PAYWAZJHZCSAJF-OAQYLSRUSA-N 1 2 341.451 4.288 10 0 EIAELO CCCCc1noc([C@@H](C)[NH+]2CCC(Nc3ccccc3F)CC2)n1 ZINC000128950394 1031768195 /nfs/dbraw/zinc/76/81/95/1031768195.db2.gz MYSDYQBMXHNDAL-CQSZACIVSA-N 1 2 346.450 4.189 10 0 EIAELO Cc1[nH+]c2ccccc2n1CC(=O)c1ccc(Br)s1 ZINC000034979812 202282657 /nfs/dbraw/zinc/28/26/57/202282657.db2.gz NOHHWRAFTGNVIV-UHFFFAOYSA-N 1 2 335.226 4.052 10 0 EIAELO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(Br)s1 ZINC000035037573 202285281 /nfs/dbraw/zinc/28/52/81/202285281.db2.gz NLEVHFKQCNBYAH-NWDGAFQWSA-N 1 2 342.302 4.205 10 0 EIAELO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(Br)s1 ZINC000035037573 202285284 /nfs/dbraw/zinc/28/52/84/202285284.db2.gz NLEVHFKQCNBYAH-NWDGAFQWSA-N 1 2 342.302 4.205 10 0 EIAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000226261670 201037793 /nfs/dbraw/zinc/03/77/93/201037793.db2.gz KYDCSRZBJFFMNV-UHFFFAOYSA-N 1 2 341.455 4.155 10 0 EIAELO COc1ccc(CNc2nc(N3CCCCC3)[nH+]c3ccccc32)cc1 ZINC000072260750 203184986 /nfs/dbraw/zinc/18/49/86/203184986.db2.gz ABURKSYYJWEUCN-UHFFFAOYSA-N 1 2 348.450 4.241 10 0 EIAELO CC(C)[NH+](c1ccc(N)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000226323561 205129663 /nfs/dbraw/zinc/12/96/63/205129663.db2.gz CNRIYIYOCYWCKV-HZPDHXFCSA-N 1 2 331.504 4.010 10 0 EIAELO CCOC(=O)[C@](C)([NH2+]C1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000037970649 202070682 /nfs/dbraw/zinc/07/06/82/202070682.db2.gz HNYJTGVCNVAYFU-MRXNPFEDSA-N 1 2 330.255 4.304 10 0 EIAELO Nc1ccc(-c2[nH+]ccn2Cc2cc(Br)ccc2F)cc1 ZINC000037974211 202071574 /nfs/dbraw/zinc/07/15/74/202071574.db2.gz YMDXDRXWIYFGHB-UHFFFAOYSA-N 1 2 346.203 4.082 10 0 EIAELO CCOc1ccc2[nH]c(=S)n3c2c1C[N@@H+](CC=C(C)C)[C@@H](C)C3 ZINC000027873335 202161327 /nfs/dbraw/zinc/16/13/27/202161327.db2.gz QRNCLKJXAMIOKI-ZDUSSCGKSA-N 1 2 331.485 4.268 10 0 EIAELO CCOc1ccc2[nH]c(=S)n3c2c1C[N@H+](CC=C(C)C)[C@@H](C)C3 ZINC000027873335 202161329 /nfs/dbraw/zinc/16/13/29/202161329.db2.gz QRNCLKJXAMIOKI-ZDUSSCGKSA-N 1 2 331.485 4.268 10 0 EIAELO CCCOc1ccc(C(=O)Nc2cc(N)ccc2[NH+](CC)CC)cc1 ZINC000226261643 201036905 /nfs/dbraw/zinc/03/69/05/201036905.db2.gz NZJMHTDZORBCAL-UHFFFAOYSA-N 1 2 341.455 4.156 10 0 EIAELO Clc1nc(NC2CCCC2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000057345916 201139107 /nfs/dbraw/zinc/13/91/07/201139107.db2.gz ZJFGYZLFTBTNBJ-UHFFFAOYSA-N 1 2 342.874 4.043 10 0 EIAELO Clc1nc(NC2CCCC2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000057345916 201139110 /nfs/dbraw/zinc/13/91/10/201139110.db2.gz ZJFGYZLFTBTNBJ-UHFFFAOYSA-N 1 2 342.874 4.043 10 0 EIAELO Clc1ccc([C@@H](Cn2cc[nH+]c2)Sc2ncc[nH]2)c(Cl)c1 ZINC000211834609 241086461 /nfs/dbraw/zinc/08/64/61/241086461.db2.gz CZZBWLROTDSMQO-CYBMUJFWSA-N 1 2 339.251 4.447 10 0 EIAELO CCc1c(Cn2ccnc2-c2cccc(F)c2)[nH+]c2ccc(F)cn21 ZINC000201500865 536073700 /nfs/dbraw/zinc/07/37/00/536073700.db2.gz QMFARBWHMHYSAV-UHFFFAOYSA-N 1 2 338.361 4.087 10 0 EIAELO CC(C)C(=O)N1CCC(n2c3ccc(F)cc3[nH+]c2C2CCC2)CC1 ZINC000015069019 564053213 /nfs/dbraw/zinc/05/32/13/564053213.db2.gz DMHXWIHRHNZLFN-UHFFFAOYSA-N 1 2 343.446 4.262 10 0 EIAELO Cc1ccccc1Cc1nnc(C[N@H+]2CC=C(c3ccccc3)CC2)o1 ZINC000121024022 1032507609 /nfs/dbraw/zinc/50/76/09/1032507609.db2.gz ZCJFZXRPTUPBJK-UHFFFAOYSA-N 1 2 345.446 4.258 10 0 EIAELO Cc1ccccc1Cc1nnc(C[N@@H+]2CC=C(c3ccccc3)CC2)o1 ZINC000121024022 1032507627 /nfs/dbraw/zinc/50/76/27/1032507627.db2.gz ZCJFZXRPTUPBJK-UHFFFAOYSA-N 1 2 345.446 4.258 10 0 EIAELO COc1cccc(-c2noc(C[NH2+][C@H](C)c3ccc(Cl)cc3)n2)c1 ZINC000072823621 1045797660 /nfs/dbraw/zinc/79/76/60/1045797660.db2.gz VOILVDWNVUOVBQ-GFCCVEGCSA-N 1 2 343.814 4.249 10 0 EIAELO C[C@H](Oc1ccccc1)c1[nH]nc2c1C[N@H+](Cc1ccsc1)CC2 ZINC000020920020 202058152 /nfs/dbraw/zinc/05/81/52/202058152.db2.gz JUDKSQOXEBXWQU-AWEZNQCLSA-N 1 2 339.464 4.170 10 0 EIAELO C[C@H](Oc1ccccc1)c1[nH]nc2c1C[N@@H+](Cc1ccsc1)CC2 ZINC000020920020 202058155 /nfs/dbraw/zinc/05/81/55/202058155.db2.gz JUDKSQOXEBXWQU-AWEZNQCLSA-N 1 2 339.464 4.170 10 0 EIAELO CCc1ccc(Nc2[nH+]cnc(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040688438 202458362 /nfs/dbraw/zinc/45/83/62/202458362.db2.gz ANUIXSOFBZHBGA-UHFFFAOYSA-N 1 2 341.503 4.483 10 0 EIAELO CCc1ccc(C(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)cc1 ZINC000226254367 205121185 /nfs/dbraw/zinc/12/11/85/205121185.db2.gz LAZOKAUHCVZTMP-UHFFFAOYSA-N 1 2 337.467 4.320 10 0 EIAELO CCc1ccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)cc1 ZINC000226254513 205121854 /nfs/dbraw/zinc/12/18/54/205121854.db2.gz UMTWIGSBBVPNCV-OAHLLOKOSA-N 1 2 337.467 4.462 10 0 EIAELO CCc1ccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)cc1 ZINC000226254513 205121856 /nfs/dbraw/zinc/12/18/56/205121856.db2.gz UMTWIGSBBVPNCV-OAHLLOKOSA-N 1 2 337.467 4.462 10 0 EIAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2cc3ccccc3o2)c1 ZINC000226254114 205122340 /nfs/dbraw/zinc/12/23/40/205122340.db2.gz ICPMTHUCDVJZJG-UHFFFAOYSA-N 1 2 335.407 4.258 10 0 EIAELO Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1[NH+]1CCCCC1 ZINC000226330259 205129557 /nfs/dbraw/zinc/12/95/57/205129557.db2.gz LQSCCGMRUWERIP-UHFFFAOYSA-N 1 2 343.858 4.473 10 0 EIAELO CC(C)(C)[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccs1 ZINC000103308038 1022684796 /nfs/dbraw/zinc/68/47/96/1022684796.db2.gz JLZYZSIDDKETGY-MRXNPFEDSA-N 1 2 346.500 4.079 10 0 EIAELO Fc1ccccc1C1=CC[N@H+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000127657788 1031704683 /nfs/dbraw/zinc/70/46/83/1031704683.db2.gz KVLHNRHMDYHQER-UHFFFAOYSA-N 1 2 335.382 4.165 10 0 EIAELO Fc1ccccc1C1=CC[N@@H+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000127657788 1031704703 /nfs/dbraw/zinc/70/47/03/1031704703.db2.gz KVLHNRHMDYHQER-UHFFFAOYSA-N 1 2 335.382 4.165 10 0 EIAELO CC(C)c1ccccc1OCCCn1c(CCO)[nH+]c2ccccc21 ZINC000008786150 201762239 /nfs/dbraw/zinc/76/22/39/201762239.db2.gz AGTOEKXFWNRIML-UHFFFAOYSA-N 1 2 338.451 4.164 10 0 EIAELO Nc1[nH+]c2c(cccc2F)n1-c1cc(Br)ccc1Cl ZINC000104166676 219354755 /nfs/dbraw/zinc/35/47/55/219354755.db2.gz QPGIPAMYJKEVMN-UHFFFAOYSA-N 1 2 340.583 4.163 10 0 EIAELO Nc1ccc(-c2[nH+]ccn2Cc2ccc(F)cc2Br)cc1 ZINC000037974158 202071509 /nfs/dbraw/zinc/07/15/09/202071509.db2.gz JURJWIHSHBGSBT-UHFFFAOYSA-N 1 2 346.203 4.082 10 0 EIAELO C/C=C/C(=O)NCCCCCc1[nH+]c2ccccc2n1CCCC ZINC000040219404 202429799 /nfs/dbraw/zinc/42/97/99/202429799.db2.gz VMUSOBSNELOIPW-NYYWCZLTSA-N 1 2 327.472 4.242 10 0 EIAELO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1[NH+]1CCCC1 ZINC000226330636 205129605 /nfs/dbraw/zinc/12/96/05/205129605.db2.gz XLLNLBCYIXCQJY-UHFFFAOYSA-N 1 2 329.831 4.083 10 0 EIAELO Brc1ccc2c(ccn2CC[NH2+]Cc2cccs2)c1 ZINC000053527595 207238648 /nfs/dbraw/zinc/23/86/48/207238648.db2.gz KTQWNHDGGFVDRS-UHFFFAOYSA-N 1 2 335.270 4.255 10 0 EIAELO Nc1c(Nc2cccc3ncccc32)nc[nH+]c1NC1CCCCC1 ZINC000040708685 213372252 /nfs/dbraw/zinc/37/22/52/213372252.db2.gz BNYOPDQVDGNNMK-UHFFFAOYSA-N 1 2 334.427 4.095 10 0 EIAELO Nc1c(NC2CCCCC2)nc[nH+]c1Nc1cccc2ncccc21 ZINC000040708685 213372255 /nfs/dbraw/zinc/37/22/55/213372255.db2.gz BNYOPDQVDGNNMK-UHFFFAOYSA-N 1 2 334.427 4.095 10 0 EIAELO CC(C)CCNc1[nH+]cnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701852 213371841 /nfs/dbraw/zinc/37/18/41/213371841.db2.gz VANZGBQWTZMIKW-UHFFFAOYSA-N 1 2 339.365 4.279 10 0 EIAELO CC(C)Nc1[nH+]cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N ZINC000040708288 213371717 /nfs/dbraw/zinc/37/17/17/213371717.db2.gz BKLAVOBMEJPTRM-UHFFFAOYSA-N 1 2 345.756 4.295 10 0 EIAELO CC(C)Nc1nc[nH+]c(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N ZINC000040708288 213371719 /nfs/dbraw/zinc/37/17/19/213371719.db2.gz BKLAVOBMEJPTRM-UHFFFAOYSA-N 1 2 345.756 4.295 10 0 EIAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1ccc(Cl)cc1 ZINC000040295562 213290087 /nfs/dbraw/zinc/29/00/87/213290087.db2.gz FGRHBJKNFJDEKP-UHFFFAOYSA-N 1 2 327.815 4.254 10 0 EIAELO NC(=O)c1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)cc1 ZINC000039963855 213247569 /nfs/dbraw/zinc/24/75/69/213247569.db2.gz AJQSQWATTLSVGL-UHFFFAOYSA-N 1 2 331.297 4.096 10 0 EIAELO CCOC(=O)[C@@](C)([NH2+]C1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000037970650 213177859 /nfs/dbraw/zinc/17/78/59/213177859.db2.gz HNYJTGVCNVAYFU-INIZCTEOSA-N 1 2 330.255 4.304 10 0 EIAELO CCCOc1cccc(C(=O)Nc2cc(N)ccc2[NH+](CC)CC)c1 ZINC000226261578 242093062 /nfs/dbraw/zinc/09/30/62/242093062.db2.gz KLRMPXYZXLRJIY-UHFFFAOYSA-N 1 2 341.455 4.156 10 0 EIAELO CC(C)[NH+](c1ccc(N)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000226323566 242098853 /nfs/dbraw/zinc/09/88/53/242098853.db2.gz CNRIYIYOCYWCKV-HOTGVXAUSA-N 1 2 331.504 4.010 10 0 EIAELO CC[N@H+](Cc1nc(-c2cc(F)ccc2F)oc1C)Cc1ccncc1 ZINC000012319260 211345186 /nfs/dbraw/zinc/34/51/86/211345186.db2.gz HYCZYEZBRNEBJJ-UHFFFAOYSA-N 1 2 343.377 4.345 10 0 EIAELO CC[N@@H+](Cc1nc(-c2cc(F)ccc2F)oc1C)Cc1ccncc1 ZINC000012319260 211345192 /nfs/dbraw/zinc/34/51/92/211345192.db2.gz HYCZYEZBRNEBJJ-UHFFFAOYSA-N 1 2 343.377 4.345 10 0 EIAELO CC[C@H]1C[NH+](Cc2cccc(C)c2Br)C[C@H](CC)O1 ZINC000725262828 563986373 /nfs/dbraw/zinc/98/63/73/563986373.db2.gz WPPJNDLJGIAVMH-GJZGRUSLSA-N 1 2 326.278 4.147 10 0 EIAELO CC[C@@H]1C[N@@H+](Cc2cccc(C)c2Br)C[C@H](CC)O1 ZINC000725262827 563986395 /nfs/dbraw/zinc/98/63/95/563986395.db2.gz WPPJNDLJGIAVMH-GASCZTMLSA-N 1 2 326.278 4.147 10 0 EIAELO CC[C@@H]1C[N@H+](Cc2cccc(C)c2Br)C[C@H](CC)O1 ZINC000725262827 563986396 /nfs/dbraw/zinc/98/63/96/563986396.db2.gz WPPJNDLJGIAVMH-GASCZTMLSA-N 1 2 326.278 4.147 10 0 EIAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000226253842 564117279 /nfs/dbraw/zinc/11/72/79/564117279.db2.gz RXUVASUWIGJMMB-UHFFFAOYSA-N 1 2 343.858 4.094 10 0 EIAELO Nc1c(NCc2ccco2)nc[nH+]c1Nc1ccc(C(F)(F)F)cc1 ZINC000040761422 213384766 /nfs/dbraw/zinc/38/47/66/213384766.db2.gz HQMKJWBZSPKQTA-UHFFFAOYSA-N 1 2 349.316 4.026 10 0 EIAELO Nc1c(Nc2ccc(C(F)(F)F)cc2)nc[nH+]c1NCc1ccco1 ZINC000040761422 213384769 /nfs/dbraw/zinc/38/47/69/213384769.db2.gz HQMKJWBZSPKQTA-UHFFFAOYSA-N 1 2 349.316 4.026 10 0 EIAELO Nc1c(NCc2ccccc2)nc[nH+]c1Nc1ccc(F)c(Cl)c1 ZINC000040709349 213373189 /nfs/dbraw/zinc/37/31/89/213373189.db2.gz VUQUTUAMKIEKTM-UHFFFAOYSA-N 1 2 343.793 4.207 10 0 EIAELO Nc1c(Nc2ccc(F)c(Cl)c2)nc[nH+]c1NCc1ccccc1 ZINC000040709349 213373193 /nfs/dbraw/zinc/37/31/93/213373193.db2.gz VUQUTUAMKIEKTM-UHFFFAOYSA-N 1 2 343.793 4.207 10 0 EIAELO Nc1c(Nc2cc(Cl)cc(Cl)c2)nc[nH+]c1NC1CCCC1 ZINC000040701153 213371961 /nfs/dbraw/zinc/37/19/61/213371961.db2.gz SNHAKYASZVQGKB-UHFFFAOYSA-N 1 2 338.242 4.464 10 0 EIAELO Nc1c(NC2CCCC2)nc[nH+]c1Nc1cc(Cl)cc(Cl)c1 ZINC000040701153 213371965 /nfs/dbraw/zinc/37/19/65/213371965.db2.gz SNHAKYASZVQGKB-UHFFFAOYSA-N 1 2 338.242 4.464 10 0 EIAELO Cc1c(Cl)cccc1Nc1[nH+]cnc(N2CCCCCC2)c1N ZINC000040701500 213371374 /nfs/dbraw/zinc/37/13/74/213371374.db2.gz AWYCUMYUCBNABI-UHFFFAOYSA-N 1 2 331.851 4.145 10 0 EIAELO Cc1c(Cl)cccc1Nc1nc[nH+]c(N2CCCCCC2)c1N ZINC000040701500 213371376 /nfs/dbraw/zinc/37/13/76/213371376.db2.gz AWYCUMYUCBNABI-UHFFFAOYSA-N 1 2 331.851 4.145 10 0 EIAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000226261424 242093155 /nfs/dbraw/zinc/09/31/55/242093155.db2.gz UWDNNPXWRUYUOG-UHFFFAOYSA-N 1 2 347.846 4.029 10 0 EIAELO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccccc1F ZINC000226254642 242093436 /nfs/dbraw/zinc/09/34/36/242093436.db2.gz JOURRSGNILXUQZ-CYBMUJFWSA-N 1 2 327.403 4.039 10 0 EIAELO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccccc1F ZINC000226254642 242093441 /nfs/dbraw/zinc/09/34/41/242093441.db2.gz JOURRSGNILXUQZ-CYBMUJFWSA-N 1 2 327.403 4.039 10 0 EIAELO C[C@@H](Oc1ccccc1)c1[nH]nc2c1C[N@H+](Cc1ccsc1)CC2 ZINC000020920014 212187825 /nfs/dbraw/zinc/18/78/25/212187825.db2.gz JUDKSQOXEBXWQU-CQSZACIVSA-N 1 2 339.464 4.170 10 0 EIAELO C[C@@H](Oc1ccccc1)c1[nH]nc2c1C[N@@H+](Cc1ccsc1)CC2 ZINC000020920014 212187827 /nfs/dbraw/zinc/18/78/27/212187827.db2.gz JUDKSQOXEBXWQU-CQSZACIVSA-N 1 2 339.464 4.170 10 0 EIAELO Cc1[nH+]cc2n1-c1ccc(Cl)cc1[C@@H](c1ccccc1F)NC2 ZINC000034020436 568415176 /nfs/dbraw/zinc/41/51/76/568415176.db2.gz HMQYFIKOHHSETE-GOSISDBHSA-N 1 2 327.790 4.166 10 0 in-vitro EIAELO Cc1nccc(C[NH2+][C@H](c2cccs2)c2ccc(Cl)s2)n1 ZINC000038037753 213195284 /nfs/dbraw/zinc/19/52/84/213195284.db2.gz PSXWPZGFIUNBIL-OAHLLOKOSA-N 1 2 335.885 4.441 10 0 EIAELO Nc1ccc(-c2[nH+]ccn2Cc2ccc(Br)cc2F)cc1 ZINC000037974269 213179287 /nfs/dbraw/zinc/17/92/87/213179287.db2.gz QKRUYRYBEYHAEQ-UHFFFAOYSA-N 1 2 346.203 4.082 10 0 EIAELO Nc1ccc(-c2[nH+]ccn2Cc2cc(F)ccc2Br)cc1 ZINC000037974207 213178389 /nfs/dbraw/zinc/17/83/89/213178389.db2.gz ZARTVBQTNSHOPA-UHFFFAOYSA-N 1 2 346.203 4.082 10 0 EIAELO C[NH+](C)c1ccc(Nc2c3c([nH+]c4ccc(C(=O)[O-])cc42)CCC3)cc1 ZINC000019794276 212068998 /nfs/dbraw/zinc/06/89/98/212068998.db2.gz LRRJKEBDVYWVGK-UHFFFAOYSA-N 1 2 347.418 4.231 10 0 EIAELO Fc1ccccc1NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000079325863 1046207718 /nfs/dbraw/zinc/20/77/18/1046207718.db2.gz FWVPINHVSOMMOZ-UHFFFAOYSA-N 1 2 325.840 4.012 10 0 EIAELO CC(C)CN(CC(C)C)c1[nH+]cnc(Nc2cc(F)ccc2F)c1N ZINC000040735887 213378403 /nfs/dbraw/zinc/37/84/03/213378403.db2.gz OTCCJNBILWDNNI-UHFFFAOYSA-N 1 2 349.429 4.199 10 0 EIAELO Nc1c(NCc2ccccc2)nc[nH+]c1Nc1ccc(Cl)cc1 ZINC000040709295 213373398 /nfs/dbraw/zinc/37/33/98/213373398.db2.gz LKGDLRYMDHNZHB-UHFFFAOYSA-N 1 2 325.803 4.068 10 0 EIAELO Nc1c(Nc2ccc(Cl)cc2)nc[nH+]c1NCc1ccccc1 ZINC000040709295 213373399 /nfs/dbraw/zinc/37/33/99/213373399.db2.gz LKGDLRYMDHNZHB-UHFFFAOYSA-N 1 2 325.803 4.068 10 0 EIAELO C/C=C/C(=O)NCCCCCc1[nH+]c2ccccc2n1CCC(C)C ZINC000040219407 213282397 /nfs/dbraw/zinc/28/23/97/213282397.db2.gz MJVNCOZCKCVEDB-ONNFQVAWSA-N 1 2 341.499 4.488 10 0 EIAELO CCCCO[C@@H](C(=O)c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000039139928 213231588 /nfs/dbraw/zinc/23/15/88/213231588.db2.gz DTCBDIOPEGXSGI-HNNXBMFYSA-N 1 2 327.211 4.388 10 0 EIAELO C[C@@H](Nc1ccc[nH+]c1N(C)C)c1ccc(Br)s1 ZINC000038002772 213186912 /nfs/dbraw/zinc/18/69/12/213186912.db2.gz ODWMSASHUCOZDR-SECBINFHSA-N 1 2 326.263 4.145 10 0 EIAELO Fc1cccc(-c2[nH+]ccn2Cc2cn3cc(Cl)ccc3n2)c1 ZINC000201500510 241040046 /nfs/dbraw/zinc/04/00/46/241040046.db2.gz OBUUFHUXWQIKAS-UHFFFAOYSA-N 1 2 326.762 4.039 10 0 EIAELO O=c1[nH]c([NH2+]Cc2cnc(-c3ccccc3)s2)cc2ccccc21 ZINC000098178533 219086310 /nfs/dbraw/zinc/08/63/10/219086310.db2.gz CMFIWGMTQHIBIU-UHFFFAOYSA-N 1 2 333.416 4.264 10 0 EIAELO Nc1c(Nc2cccc3cccnc32)nc[nH+]c1NC1CCCCCC1 ZINC000040758485 213383240 /nfs/dbraw/zinc/38/32/40/213383240.db2.gz VIFCWENNMLSTQP-UHFFFAOYSA-N 1 2 348.454 4.485 10 0 EIAELO CCN(CC)c1nc[nH+]c(Nc2ccc(Oc3ccccc3)cc2)c1N ZINC000040723363 213376635 /nfs/dbraw/zinc/37/66/35/213376635.db2.gz IZVLEDIVFHZLHS-UHFFFAOYSA-N 1 2 349.438 4.441 10 0 EIAELO CC(C)Nc1[nH+]cnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682398 213367513 /nfs/dbraw/zinc/36/75/13/213367513.db2.gz FMDZQIHFCWHTSQ-UHFFFAOYSA-N 1 2 345.756 4.295 10 0 EIAELO CC(C)(C)Nc1[nH+]cnc(NN(c2ccccc2)c2ccccc2)c1N ZINC000040680565 213367471 /nfs/dbraw/zinc/36/74/71/213367471.db2.gz QLUVJHFPRWFPTO-UHFFFAOYSA-N 1 2 348.454 4.434 10 0 EIAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3cccc(N(C)C)c3)c2c1 ZINC000040177094 213279105 /nfs/dbraw/zinc/27/91/05/213279105.db2.gz XYPUFQOKNJFFBG-UHFFFAOYSA-N 1 2 333.435 4.478 10 0 EIAELO Cc1c([C@H](C)[NH2+]Cc2ccon2)cnn1-c1cccc2ccccc21 ZINC000012463777 211390929 /nfs/dbraw/zinc/39/09/29/211390929.db2.gz UXEJHAOQFYFXLM-AWEZNQCLSA-N 1 2 332.407 4.173 10 0 EIAELO Cc1cc2[nH+]c(Cc3ccccc3)n(CC(=O)NCC(C)C)c2cc1C ZINC000037398830 564121237 /nfs/dbraw/zinc/12/12/37/564121237.db2.gz JNVFESZSGGQCCD-UHFFFAOYSA-N 1 2 349.478 4.016 10 0 EIAELO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC=C(c2cccs2)CC1 ZINC000117896178 1031267957 /nfs/dbraw/zinc/26/79/57/1031267957.db2.gz MDPRWLOMCGYYBR-ZDUSSCGKSA-N 1 2 338.436 4.043 10 0 EIAELO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117896178 1031267961 /nfs/dbraw/zinc/26/79/61/1031267961.db2.gz MDPRWLOMCGYYBR-ZDUSSCGKSA-N 1 2 338.436 4.043 10 0 EIAELO Cc1c(O)c[nH+]cc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1 ZINC000066054830 215004202 /nfs/dbraw/zinc/00/42/02/215004202.db2.gz UGACSUMQKHVXSM-UHFFFAOYSA-N 1 2 341.374 4.182 10 0 EIAELO Cc1ccc2cccc(Nc3nc[nH+]c(NCCC(C)C)c3N)c2n1 ZINC000040758718 213383831 /nfs/dbraw/zinc/38/38/31/213383831.db2.gz AXXQFGITFJQAEE-UHFFFAOYSA-N 1 2 336.443 4.117 10 0 EIAELO CCCCNc1[nH+]cnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701700 213372414 /nfs/dbraw/zinc/37/24/14/213372414.db2.gz XPRSFLKXAWHZFY-UHFFFAOYSA-N 1 2 325.338 4.033 10 0 EIAELO Nc1c(Nc2cccc3cccnc32)nc[nH+]c1NC1CCCCC1 ZINC000040708517 213371259 /nfs/dbraw/zinc/37/12/59/213371259.db2.gz ALLTZWHYBUZWFA-UHFFFAOYSA-N 1 2 334.427 4.095 10 0 EIAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000226260610 242092564 /nfs/dbraw/zinc/09/25/64/242092564.db2.gz ZEASHBIWFBQIOC-UHFFFAOYSA-N 1 2 325.456 4.491 10 0 EIAELO COc1c(C)c[nH+]c(CNc2ccc(Br)c(C)c2)c1C ZINC000020045541 212096893 /nfs/dbraw/zinc/09/68/93/212096893.db2.gz JBKQODMZBQOBJL-UHFFFAOYSA-N 1 2 335.245 4.390 10 0 EIAELO CC(C)(C)[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccs1 ZINC000103308040 1022685328 /nfs/dbraw/zinc/68/53/28/1022685328.db2.gz JLZYZSIDDKETGY-INIZCTEOSA-N 1 2 346.500 4.079 10 0 EIAELO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1N1CCCCCC1 ZINC000004562971 210221778 /nfs/dbraw/zinc/22/17/78/210221778.db2.gz AVRVSNNOYFYQPU-UHFFFAOYSA-N 1 2 342.439 4.191 10 0 EIAELO Nc1c(Nc2ccc(F)cc2F)nc[nH+]c1NC1CCCCCC1 ZINC000040800240 213388897 /nfs/dbraw/zinc/38/88/97/213388897.db2.gz VXGCEGXRPJSWQT-UHFFFAOYSA-N 1 2 333.386 4.215 10 0 EIAELO CCN(CC)c1nc(NCc2ccc(OC)cc2)c2ccccc2[nH+]1 ZINC000072260748 216085680 /nfs/dbraw/zinc/08/56/80/216085680.db2.gz XJNMTPJCUZKUGR-UHFFFAOYSA-N 1 2 336.439 4.097 10 0 EIAELO Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1[NH+]1CCCCC1 ZINC000226330101 242098905 /nfs/dbraw/zinc/09/89/05/242098905.db2.gz IJNKSJWTUMLDMJ-UHFFFAOYSA-N 1 2 343.858 4.473 10 0 EIAELO CN1C(c2cccnc2)[N@@H+](C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000019324151 212015574 /nfs/dbraw/zinc/01/55/74/212015574.db2.gz ISMDCWVUPABFCQ-SFTDATJTSA-N 1 2 329.447 4.440 10 0 EIAELO CN1C(c2cccnc2)[N@H+](C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000019324151 212015577 /nfs/dbraw/zinc/01/55/77/212015577.db2.gz ISMDCWVUPABFCQ-SFTDATJTSA-N 1 2 329.447 4.440 10 0 EIAELO CCOc1ccc(-c2nn(C[N@@H+]3CCCC[C@H]3C)c(=S)o2)cc1 ZINC000005713599 563546544 /nfs/dbraw/zinc/54/65/44/563546544.db2.gz LMBRVIKZDOJARI-CYBMUJFWSA-N 1 2 333.457 4.103 10 0 EIAELO CCOc1ccc(-c2nn(C[N@H+]3CCCC[C@H]3C)c(=S)o2)cc1 ZINC000005713599 563546548 /nfs/dbraw/zinc/54/65/48/563546548.db2.gz LMBRVIKZDOJARI-CYBMUJFWSA-N 1 2 333.457 4.103 10 0 EIAELO CCCCc1noc([C@H](C)[NH+]2CCC(Nc3ccccc3F)CC2)n1 ZINC000128950618 1031768840 /nfs/dbraw/zinc/76/88/40/1031768840.db2.gz MYSDYQBMXHNDAL-AWEZNQCLSA-N 1 2 346.450 4.189 10 0 EIAELO Cc1ccc(CNc2[nH+]cnc(Nc3ccccc3Cl)c2N)cc1 ZINC000040781295 213386178 /nfs/dbraw/zinc/38/61/78/213386178.db2.gz CDZHVFKIQOPYHS-UHFFFAOYSA-N 1 2 339.830 4.376 10 0 EIAELO COc1ccc(CCn2c(C)[nH+]c3ccc(Cl)cc32)cc1OC ZINC000040406883 213300715 /nfs/dbraw/zinc/30/07/15/213300715.db2.gz UEHFKIZNKRUJQY-UHFFFAOYSA-N 1 2 330.815 4.258 10 0 EIAELO C=CC(=O)NCCCCCc1[nH+]c2ccccc2n1CCC(C)C ZINC000040219571 213282461 /nfs/dbraw/zinc/28/24/61/213282461.db2.gz FRTJPPNXUSAOMU-UHFFFAOYSA-N 1 2 327.472 4.097 10 0 EIAELO COc1ccc(CC(=O)Nc2cc(C)[nH+]c3c(C)cc(C)cc23)cc1 ZINC000040177042 213279291 /nfs/dbraw/zinc/27/92/91/213279291.db2.gz MOOZCRFHGYIBQH-UHFFFAOYSA-N 1 2 334.419 4.350 10 0 EIAELO C[C@@H](Nc1ccc(N(C)C)[nH+]c1)c1ccc(Br)s1 ZINC000038002668 213187538 /nfs/dbraw/zinc/18/75/38/213187538.db2.gz WDCDFWBYACWAMG-SECBINFHSA-N 1 2 326.263 4.145 10 0 EIAELO Nc1ccc(-c2[nH+]ccn2Cc2ccc(F)c(Br)c2)cc1 ZINC000037974206 213178953 /nfs/dbraw/zinc/17/89/53/213178953.db2.gz DBHCRFNLLMCEFX-UHFFFAOYSA-N 1 2 346.203 4.082 10 0 EIAELO COc1ccc(/C=C2/Sc3nnc(C)n3[NH+]=C2C)c2ccccc12 ZINC000035667051 213043644 /nfs/dbraw/zinc/04/36/44/213043644.db2.gz VCDXGNXWVVXIFP-LICLKQGHSA-N 1 2 336.420 4.119 10 0 EIAELO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cccc(F)c1 ZINC000226254804 242093218 /nfs/dbraw/zinc/09/32/18/242093218.db2.gz VHFAJKKAPKKLFR-CYBMUJFWSA-N 1 2 327.403 4.039 10 0 EIAELO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cccc(F)c1 ZINC000226254804 242093222 /nfs/dbraw/zinc/09/32/22/242093222.db2.gz VHFAJKKAPKKLFR-CYBMUJFWSA-N 1 2 327.403 4.039 10 0 EIAELO CCc1c(NCc2[nH+]ccn2CC)noc1-c1ccc(Cl)s1 ZINC000095990319 564144092 /nfs/dbraw/zinc/14/40/92/564144092.db2.gz PXZSRZBPWDAHKJ-UHFFFAOYSA-N 1 2 336.848 4.447 10 0 EIAELO CCc1cccc(C)c1NC(=O)C[N@H+]1CC=C(c2cccs2)CC1 ZINC000117893762 1031267436 /nfs/dbraw/zinc/26/74/36/1031267436.db2.gz UCXXKULRPOJFPX-UHFFFAOYSA-N 1 2 340.492 4.347 10 0 EIAELO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117893762 1031267449 /nfs/dbraw/zinc/26/74/49/1031267449.db2.gz UCXXKULRPOJFPX-UHFFFAOYSA-N 1 2 340.492 4.347 10 0 EIAELO COc1ccc(Cl)cc1Nc1nc[nH+]c(NC2CCCCC2)c1N ZINC000040702251 213371996 /nfs/dbraw/zinc/37/19/96/213371996.db2.gz NOWIUCUXCPZDGZ-UHFFFAOYSA-N 1 2 347.850 4.209 10 0 EIAELO CC(C)(C)Nc1nc[nH+]c(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040680702 213368549 /nfs/dbraw/zinc/36/85/49/213368549.db2.gz JGTXIMZGMDCPKM-UHFFFAOYSA-N 1 2 325.338 4.032 10 0 EIAELO CC(C)(C)Nc1[nH+]cnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040680702 213368550 /nfs/dbraw/zinc/36/85/50/213368550.db2.gz JGTXIMZGMDCPKM-UHFFFAOYSA-N 1 2 325.338 4.032 10 0 EIAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)Nc1ccc(Cl)cc1 ZINC000040295938 213290248 /nfs/dbraw/zinc/29/02/48/213290248.db2.gz DRRVXTMXGLZSCK-UHFFFAOYSA-N 1 2 325.799 4.206 10 0 EIAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)Nc1ccccc1Cl ZINC000040295910 213289979 /nfs/dbraw/zinc/28/99/79/213289979.db2.gz RBZBKHFYPRRYBO-UHFFFAOYSA-N 1 2 325.799 4.206 10 0 EIAELO Cc1cc2[nH+]c(CCCO)n(Cc3c(F)cccc3Cl)c2cc1C ZINC000040310973 213290935 /nfs/dbraw/zinc/29/09/35/213290935.db2.gz QYWPUZHQORHRJY-UHFFFAOYSA-N 1 2 346.833 4.419 10 0 EIAELO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000226254946 242093538 /nfs/dbraw/zinc/09/35/38/242093538.db2.gz NUQJISGNZHMJJC-UHFFFAOYSA-N 1 2 343.858 4.411 10 0 EIAELO 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CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000220829248 564116288 /nfs/dbraw/zinc/11/62/88/564116288.db2.gz BGBROHIDRTXSME-UHFFFAOYSA-N 1 2 343.858 4.411 10 0 EIAELO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccccc2Cl)CC1 ZINC000226254590 564117264 /nfs/dbraw/zinc/11/72/64/564117264.db2.gz ABRKHWVTHYBTCK-UHFFFAOYSA-N 1 2 343.858 4.411 10 0 EIAELO Fc1cccc(Cl)c1C[NH+]1CCC(c2nnc(C3CC3)o2)CC1 ZINC000049377618 214003839 /nfs/dbraw/zinc/00/38/39/214003839.db2.gz LBDAXMDQVQBRAP-UHFFFAOYSA-N 1 2 335.810 4.119 10 0 EIAELO Nc1c(NC2CCCC2)nc[nH+]c1Nc1cccc(C(F)(F)F)c1 ZINC000040781986 213385817 /nfs/dbraw/zinc/38/58/17/213385817.db2.gz LCBIJFJGUDEZEF-UHFFFAOYSA-N 1 2 337.349 4.176 10 0 EIAELO Nc1c(Nc2cccc(C(F)(F)F)c2)nc[nH+]c1NC1CCCC1 ZINC000040781986 213385820 /nfs/dbraw/zinc/38/58/20/213385820.db2.gz LCBIJFJGUDEZEF-UHFFFAOYSA-N 1 2 337.349 4.176 10 0 EIAELO C=CC(=O)NCCCCCc1[nH+]c2ccccc2n1CCCCC ZINC000040219572 213282989 /nfs/dbraw/zinc/28/29/89/213282989.db2.gz GPLRLLHXCPQJIY-UHFFFAOYSA-N 1 2 327.472 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213281692 /nfs/dbraw/zinc/28/16/92/213281692.db2.gz RKLNOJWSGRDUTM-UHFFFAOYSA-N 1 2 329.488 4.321 10 0 EIAELO C[C@H]1[C@@H](CO)[N@@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000136708444 563874465 /nfs/dbraw/zinc/87/44/65/563874465.db2.gz MHDNNWKUMQPYBF-OAFZIFGRSA-N 1 2 329.443 4.044 10 0 EIAELO C[C@H]1[C@@H](CO)[N@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000136708444 563874466 /nfs/dbraw/zinc/87/44/66/563874466.db2.gz MHDNNWKUMQPYBF-OAFZIFGRSA-N 1 2 329.443 4.044 10 0 EIAELO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1nccn1C(F)F)CCCO2 ZINC000126614530 1031656863 /nfs/dbraw/zinc/65/68/63/1031656863.db2.gz PATIJRPHJMFPEV-ZDUSSCGKSA-N 1 2 341.789 4.244 10 0 EIAELO c1csc(Cn2cccc2C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092593452 1039569771 /nfs/dbraw/zinc/56/97/71/1039569771.db2.gz GKOMJJJNVGMHIS-KRWDZBQOSA-N 1 2 344.505 4.233 10 0 EIAELO c1csc(Cn2cccc2C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092593452 1039569799 /nfs/dbraw/zinc/56/97/99/1039569799.db2.gz GKOMJJJNVGMHIS-KRWDZBQOSA-N 1 2 344.505 4.233 10 0 EIAELO Cc1ccc(CNc2[nH+]cnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040783802 213387306 /nfs/dbraw/zinc/38/73/06/213387306.db2.gz LLSFQTAHQIZQCR-UHFFFAOYSA-N 1 2 341.365 4.001 10 0 EIAELO Cc1ccc2c(Nc3ncnc(Oc4ccccc4)c3N)cccc2[nH+]1 ZINC000040796188 213386880 /nfs/dbraw/zinc/38/68/80/213386880.db2.gz OYOMDBMVPHOGLN-UHFFFAOYSA-N 1 2 343.390 4.451 10 0 EIAELO CN(c1ccccc1)c1nc[nH+]c(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040755628 213383672 /nfs/dbraw/zinc/38/36/72/213383672.db2.gz WRSRGZFAMFELGY-UHFFFAOYSA-N 1 2 349.482 4.207 10 0 EIAELO CN(c1ccccc1)c1[nH+]cnc(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040755628 213383677 /nfs/dbraw/zinc/38/36/77/213383677.db2.gz WRSRGZFAMFELGY-UHFFFAOYSA-N 1 2 349.482 4.207 10 0 EIAELO CC(C)CN(CC(C)C)c1nc[nH+]c(Nc2ccc(F)cc2)c1N ZINC000040735679 213378994 /nfs/dbraw/zinc/37/89/94/213378994.db2.gz KHVVLTMDVZQRQX-UHFFFAOYSA-N 1 2 331.439 4.060 10 0 EIAELO Cc1ccccc1Nc1[nH+]cnc(N(CC(C)C)CC(C)C)c1N ZINC000040735648 213378517 /nfs/dbraw/zinc/37/85/17/213378517.db2.gz FAGQFSUGRONIHP-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/09/81/16/242098116.db2.gz KTLXXCNJKKJCSX-CQSZACIVSA-N 1 2 341.430 4.347 10 0 EIAELO CCOc1ccc(-c2nn(C[N@@H+]3CCCC[C@@H]3C)c(=S)o2)cc1 ZINC000005713595 563546738 /nfs/dbraw/zinc/54/67/38/563546738.db2.gz LMBRVIKZDOJARI-ZDUSSCGKSA-N 1 2 333.457 4.103 10 0 EIAELO CCOc1ccc(-c2nn(C[N@H+]3CCCC[C@@H]3C)c(=S)o2)cc1 ZINC000005713595 563546742 /nfs/dbraw/zinc/54/67/42/563546742.db2.gz LMBRVIKZDOJARI-ZDUSSCGKSA-N 1 2 333.457 4.103 10 0 EIAELO CCc1[nH+]c(C)cn1-c1ccc(CNC(=O)c2ccc(C)s2)cc1 ZINC000033312655 563973618 /nfs/dbraw/zinc/97/36/18/563973618.db2.gz HSXLZWDFPDTNEL-UHFFFAOYSA-N 1 2 339.464 4.043 10 0 EIAELO c1csc(C2=CC[N@H+](Cc3nc(-c4ccsc4)no3)CC2)c1 ZINC000117894934 1031268178 /nfs/dbraw/zinc/26/81/78/1031268178.db2.gz ORYRDVLBMBJSMX-UHFFFAOYSA-N 1 2 329.450 4.149 10 0 EIAELO c1csc(C2=CC[N@@H+](Cc3nc(-c4ccsc4)no3)CC2)c1 ZINC000117894934 1031268201 /nfs/dbraw/zinc/26/82/01/1031268201.db2.gz ORYRDVLBMBJSMX-UHFFFAOYSA-N 1 2 329.450 4.149 10 0 EIAELO COc1cccc(-c2noc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)n2)c1 ZINC000072823620 1045800008 /nfs/dbraw/zinc/80/00/08/1045800008.db2.gz VOILVDWNVUOVBQ-LBPRGKRZSA-N 1 2 343.814 4.249 10 0 EIAELO CCCCNc1c(-c2ccccc2)[nH+]c2ccc(C(=O)OCC)cn21 ZINC000051943960 214109416 /nfs/dbraw/zinc/10/94/16/214109416.db2.gz CXRBTRBGPDFMPP-UHFFFAOYSA-N 1 2 337.423 4.390 10 0 EIAELO Nc1c(Nc2ccccc2Cl)nc[nH+]c1NCc1ccc(F)cc1 ZINC000040781351 213386251 /nfs/dbraw/zinc/38/62/51/213386251.db2.gz CABALXXRQFIZLI-UHFFFAOYSA-N 1 2 343.793 4.207 10 0 EIAELO Cc1ccc(Nc2[nH+]cnc(NC34CC5CC(CC(C5)C3)C4)c2N)cc1 ZINC000040755695 213383284 /nfs/dbraw/zinc/38/32/84/213383284.db2.gz MWNLLKBDOPOIRV-UHFFFAOYSA-N 1 2 349.482 4.492 10 0 EIAELO CC(C)CN(CC(C)C)c1[nH+]cnc(NCCC2=CCCCC2)c1N ZINC000040735555 213379240 /nfs/dbraw/zinc/37/92/40/213379240.db2.gz QMTCQCHTMCGLEP-UHFFFAOYSA-N 1 2 345.535 4.480 10 0 EIAELO Nc1c(Nc2ccc(Cl)c(Cl)c2)nc[nH+]c1NC1CCCC1 ZINC000040704286 213371354 /nfs/dbraw/zinc/37/13/54/213371354.db2.gz 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/nfs/dbraw/zinc/66/64/24/1039666424.db2.gz HWBHLNHEOWTMJP-UHFFFAOYSA-N 1 2 340.858 4.158 10 0 EIAELO CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@@H+](C)Cc1cc(Br)cs1 ZINC000103972240 219334065 /nfs/dbraw/zinc/33/40/65/219334065.db2.gz ABPYXDZWOAINQG-DOMZBBRYSA-N 1 2 347.366 4.486 10 0 EIAELO CC(C)CN(CC(C)C)c1nc[nH+]c(Nc2ccc(F)c(F)c2)c1N ZINC000040735893 213379477 /nfs/dbraw/zinc/37/94/77/213379477.db2.gz SJCZZDCQXFAHGG-UHFFFAOYSA-N 1 2 349.429 4.199 10 0 EIAELO CC(C)CN(CC(C)C)c1[nH+]cnc(Nc2ccc(F)c(F)c2)c1N ZINC000040735893 213379481 /nfs/dbraw/zinc/37/94/81/213379481.db2.gz SJCZZDCQXFAHGG-UHFFFAOYSA-N 1 2 349.429 4.199 10 0 EIAELO Cc1ccc(CNc2nc[nH+]c(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040735718 213379604 /nfs/dbraw/zinc/37/96/04/213379604.db2.gz IZIVKPWALROWEG-UHFFFAOYSA-N 1 2 341.503 4.098 10 0 EIAELO Nc1c(Nc2ccccc2C(F)(F)F)nc[nH+]c1NC1CCCC1 ZINC000040701872 213371797 /nfs/dbraw/zinc/37/17/97/213371797.db2.gz MDLZCQFJFGUJAF-UHFFFAOYSA-N 1 2 337.349 4.176 10 0 EIAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)Nc1cccc(Cl)c1 ZINC000040295920 213290271 /nfs/dbraw/zinc/29/02/71/213290271.db2.gz LLDVCKIHPKRBEU-UHFFFAOYSA-N 1 2 325.799 4.206 10 0 EIAELO Clc1ccc([C@H](Cn2cc[nH+]c2)Sc2ncc[nH]2)c(Cl)c1 ZINC000211834686 241085749 /nfs/dbraw/zinc/08/57/49/241085749.db2.gz CZZBWLROTDSMQO-ZDUSSCGKSA-N 1 2 339.251 4.447 10 0 EIAELO Cc1ccc(C(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1Cl ZINC000226255379 242093198 /nfs/dbraw/zinc/09/31/98/242093198.db2.gz DSKAROUYOBTGQP-UHFFFAOYSA-N 1 2 343.858 4.473 10 0 EIAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000226261601 242093472 /nfs/dbraw/zinc/09/34/72/242093472.db2.gz KCFUUPVKGMSMGD-UHFFFAOYSA-N 1 2 341.455 4.155 10 0 EIAELO O[C@H](c1ccc2c(c1)C[N@@H+](Cc1ccoc1)CCO2)C1CCCCC1 ZINC000012281522 211333574 /nfs/dbraw/zinc/33/35/74/211333574.db2.gz PAYWAZJHZCSAJF-NRFANRHFSA-N 1 2 341.451 4.288 10 0 EIAELO O[C@H](c1ccc2c(c1)C[N@H+](Cc1ccoc1)CCO2)C1CCCCC1 ZINC000012281522 211333578 /nfs/dbraw/zinc/33/35/78/211333578.db2.gz PAYWAZJHZCSAJF-NRFANRHFSA-N 1 2 341.451 4.288 10 0 EIAELO CN1C(c2cccnc2)[N@@H+](C)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000253612995 536328232 /nfs/dbraw/zinc/32/82/32/536328232.db2.gz ISMDCWVUPABFCQ-NHCUHLMSSA-N 1 2 329.447 4.440 10 0 EIAELO CN1C(c2cccnc2)[N@H+](C)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000253612995 536328235 /nfs/dbraw/zinc/32/82/35/536328235.db2.gz ISMDCWVUPABFCQ-NHCUHLMSSA-N 1 2 329.447 4.440 10 0 EIAELO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC=C(c2cccs2)CC1 ZINC000117895715 1031266664 /nfs/dbraw/zinc/26/66/64/1031266664.db2.gz PEURSTDACZBYNN-INIZCTEOSA-N 1 2 340.492 4.481 10 0 EIAELO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117895715 1031266685 /nfs/dbraw/zinc/26/66/85/1031266685.db2.gz PEURSTDACZBYNN-INIZCTEOSA-N 1 2 340.492 4.481 10 0 EIAELO COc1ccc(C[N@H+](Cc2sccc2C)Cc2ccccn2)cn1 ZINC000055342970 214310413 /nfs/dbraw/zinc/31/04/13/214310413.db2.gz CMATXJYTNXRMTA-UHFFFAOYSA-N 1 2 339.464 4.058 10 0 EIAELO COc1ccc(C[N@@H+](Cc2sccc2C)Cc2ccccn2)cn1 ZINC000055342970 214310416 /nfs/dbraw/zinc/31/04/16/214310416.db2.gz CMATXJYTNXRMTA-UHFFFAOYSA-N 1 2 339.464 4.058 10 0 EIAELO CC[C@@H](C)C[C@](CC)(C[NH3+])[N@@H+](C)Cc1cc(Br)cs1 ZINC000103972244 219334324 /nfs/dbraw/zinc/33/43/24/219334324.db2.gz ABPYXDZWOAINQG-IUODEOHRSA-N 1 2 347.366 4.486 10 0 EIAELO COc1ccc(C)cc1Nc1nc[nH+]c(NC2CCCCCC2)c1N ZINC000040684506 213369631 /nfs/dbraw/zinc/36/96/31/213369631.db2.gz IPMRZAHWGIPAPW-UHFFFAOYSA-N 1 2 341.459 4.254 10 0 EIAELO CCCCNc1[nH+]cnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040706541 213371883 /nfs/dbraw/zinc/37/18/83/213371883.db2.gz HWXFSSYDLDBKQU-UHFFFAOYSA-N 1 2 326.231 4.321 10 0 EIAELO Cc1cc2[nH+]c(CCCO)n(Cc3ccccc3Cl)c2cc1C ZINC000040310953 213290962 /nfs/dbraw/zinc/29/09/62/213290962.db2.gz YATUTCPSQYJADF-UHFFFAOYSA-N 1 2 328.843 4.280 10 0 EIAELO C[C@H]([NH2+]c1cc2ccccc2c(=O)[nH]1)c1cccc(Br)c1 ZINC000038012639 213188255 /nfs/dbraw/zinc/18/82/55/213188255.db2.gz RMIICTKJLDLRII-NSHDSACASA-N 1 2 343.224 4.464 10 0 EIAELO Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1[NH+]1CCC(C)CC1 ZINC000226330421 242097584 /nfs/dbraw/zinc/09/75/84/242097584.db2.gz ROSXRFHMFIJDQP-UHFFFAOYSA-N 1 2 341.430 4.205 10 0 EIAELO Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1[N@H+]1CCCC[C@H]1C ZINC000226330377 242098594 /nfs/dbraw/zinc/09/85/94/242098594.db2.gz ALRAXQBCTNEBDX-CQSZACIVSA-N 1 2 341.430 4.347 10 0 EIAELO Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1[N@@H+]1CCCC[C@H]1C ZINC000226330377 242098596 /nfs/dbraw/zinc/09/85/96/242098596.db2.gz ALRAXQBCTNEBDX-CQSZACIVSA-N 1 2 341.430 4.347 10 0 EIAELO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+]=C1c1ccccc1 ZINC000020530382 212143801 /nfs/dbraw/zinc/14/38/01/212143801.db2.gz UDCXIFUXKPVUHH-UHFFFAOYSA-N 1 2 326.399 4.256 10 0 EIAELO C[N@@H+]1C[C@H](c2ccc(Cl)cc2)C(=O)[C@@H](c2cccc(Cl)c2)C1 ZINC000255995044 244061462 /nfs/dbraw/zinc/06/14/62/244061462.db2.gz POXOWTWAYFMUDK-IAGOWNOFSA-N 1 2 334.246 4.375 10 0 EIAELO C[N@H+]1C[C@H](c2ccc(Cl)cc2)C(=O)[C@@H](c2cccc(Cl)c2)C1 ZINC000255995044 244061467 /nfs/dbraw/zinc/06/14/67/244061467.db2.gz POXOWTWAYFMUDK-IAGOWNOFSA-N 1 2 334.246 4.375 10 0 EIAELO Nc1c(NCc2ccc(Cl)cc2)nc[nH+]c1Nc1ccc(F)cc1 ZINC000040782460 213386570 /nfs/dbraw/zinc/38/65/70/213386570.db2.gz LEULCOULHOGDNI-UHFFFAOYSA-N 1 2 343.793 4.207 10 0 EIAELO Nc1c(Nc2ccc(F)cc2)nc[nH+]c1NCc1ccc(Cl)cc1 ZINC000040782460 213386572 /nfs/dbraw/zinc/38/65/72/213386572.db2.gz LEULCOULHOGDNI-UHFFFAOYSA-N 1 2 343.793 4.207 10 0 EIAELO Nc1c(NC23CC4CC(CC(C4)C2)C3)nc[nH+]c1Nc1ccccc1 ZINC000040755680 213383846 /nfs/dbraw/zinc/38/38/46/213383846.db2.gz ZJTUCFYPDATTGX-UHFFFAOYSA-N 1 2 335.455 4.183 10 0 EIAELO Nc1c(Nc2ccccc2)nc[nH+]c1NC12CC3CC(CC(C3)C1)C2 ZINC000040755680 213383851 /nfs/dbraw/zinc/38/38/51/213383851.db2.gz ZJTUCFYPDATTGX-UHFFFAOYSA-N 1 2 335.455 4.183 10 0 EIAELO CC(C)(C)Nc1[nH+]cnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040680567 213368092 /nfs/dbraw/zinc/36/80/92/213368092.db2.gz XMJQXXJVJCSJSI-UHFFFAOYSA-N 1 2 326.231 4.320 10 0 EIAELO CCOc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000040295662 213290183 /nfs/dbraw/zinc/29/01/83/213290183.db2.gz ZFBLLJUDEVUZDZ-UHFFFAOYSA-N 1 2 337.423 4.197 10 0 EIAELO COc1c(C)c[nH+]c(CNc2ccc(C)cc2Br)c1C ZINC000020039978 212096324 /nfs/dbraw/zinc/09/63/24/212096324.db2.gz UUTJRHNXDJVHNL-UHFFFAOYSA-N 1 2 335.245 4.390 10 0 EIAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccccc2Cl)c1 ZINC000226254577 563996035 /nfs/dbraw/zinc/99/60/35/563996035.db2.gz NLRRRLJXCGWKNB-UHFFFAOYSA-N 1 2 329.831 4.165 10 0 EIAELO Nc1c(Nc2ccccc2F)nc[nH+]c1NCc1ccc(Cl)cc1 ZINC000040759202 213383987 /nfs/dbraw/zinc/38/39/87/213383987.db2.gz RCQZCOUUPWCBTC-UHFFFAOYSA-N 1 2 343.793 4.207 10 0 EIAELO CC(C)(C)Nc1[nH+]cnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040680390 213367838 /nfs/dbraw/zinc/36/78/38/213367838.db2.gz DCYCIOPJQBPLJW-UHFFFAOYSA-N 1 2 325.338 4.032 10 0 EIAELO CC(C)(C)Nc1[nH+]cnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040680402 213368211 /nfs/dbraw/zinc/36/82/11/213368211.db2.gz KJCBCBNBVUTNRQ-UHFFFAOYSA-N 1 2 326.231 4.320 10 0 EIAELO CC(C)(C)Nc1nc[nH+]c(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040680402 213368213 /nfs/dbraw/zinc/36/82/13/213368213.db2.gz KJCBCBNBVUTNRQ-UHFFFAOYSA-N 1 2 326.231 4.320 10 0 EIAELO Cc1cc2[nH+]c(CCCO)n(Cc3cccc(Cl)c3)c2cc1C ZINC000040310966 213290521 /nfs/dbraw/zinc/29/05/21/213290521.db2.gz SMRNPGPTVSJORD-UHFFFAOYSA-N 1 2 328.843 4.280 10 0 EIAELO CCCCCn1c(CCCCCNC(=O)CC)[nH+]c2ccccc21 ZINC000040211072 213281546 /nfs/dbraw/zinc/28/15/46/213281546.db2.gz CDIQIEVHHOUVDC-UHFFFAOYSA-N 1 2 329.488 4.466 10 0 EIAELO Cc1cccc(C)c1OCCCn1c(CCCO)[nH+]c2ccccc21 ZINC000040225334 213282602 /nfs/dbraw/zinc/28/26/02/213282602.db2.gz NZWKCXWSTNEASA-UHFFFAOYSA-N 1 2 338.451 4.047 10 0 EIAELO CC(C)c1ccccc1OCCn1c(CCCO)[nH+]c2ccccc21 ZINC000040225300 213282152 /nfs/dbraw/zinc/28/21/52/213282152.db2.gz PGYYLSUIAGDKSB-UHFFFAOYSA-N 1 2 338.451 4.164 10 0 EIAELO CCN(CC)c1ccc(NCc2csc(Br)c2)c[nH+]1 ZINC000037003723 213130364 /nfs/dbraw/zinc/13/03/64/213130364.db2.gz VSUJTWGKHRCMOF-UHFFFAOYSA-N 1 2 340.290 4.364 10 0 EIAELO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cccc(F)c1 ZINC000226254813 242092372 /nfs/dbraw/zinc/09/23/72/242092372.db2.gz VHFAJKKAPKKLFR-ZDUSSCGKSA-N 1 2 327.403 4.039 10 0 EIAELO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cccc(F)c1 ZINC000226254813 242092377 /nfs/dbraw/zinc/09/23/77/242092377.db2.gz VHFAJKKAPKKLFR-ZDUSSCGKSA-N 1 2 327.403 4.039 10 0 EIAELO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccccc1F ZINC000226254652 242092775 /nfs/dbraw/zinc/09/27/75/242092775.db2.gz JOURRSGNILXUQZ-ZDUSSCGKSA-N 1 2 327.403 4.039 10 0 EIAELO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccccc1F ZINC000226254652 242092778 /nfs/dbraw/zinc/09/27/78/242092778.db2.gz JOURRSGNILXUQZ-ZDUSSCGKSA-N 1 2 327.403 4.039 10 0 EIAELO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1nccn1C(F)F)CCCO2 ZINC000126614757 1031657105 /nfs/dbraw/zinc/65/71/05/1031657105.db2.gz PATIJRPHJMFPEV-CYBMUJFWSA-N 1 2 341.789 4.244 10 0 EIAELO Nc1c(Nc2cc(F)ccc2F)nc[nH+]c1NC1CCCCCC1 ZINC000040800137 213389133 /nfs/dbraw/zinc/38/91/33/213389133.db2.gz MPSPMMUIUKVGBF-UHFFFAOYSA-N 1 2 333.386 4.215 10 0 EIAELO COc1ccc(CCn2c(C)[nH+]c3cc(Cl)ccc32)cc1OC ZINC000040406880 213299755 /nfs/dbraw/zinc/29/97/55/213299755.db2.gz PXBQHWFSGWIMIY-UHFFFAOYSA-N 1 2 330.815 4.258 10 0 EIAELO C/C=C/C(=O)NCCCCCc1[nH+]c2ccccc2n1CC(C)C ZINC000040219399 213282904 /nfs/dbraw/zinc/28/29/04/213282904.db2.gz MTMHTFJKOHRGCQ-ONNFQVAWSA-N 1 2 327.472 4.097 10 0 EIAELO CCCCO[C@H](C(=O)c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000039139929 213231424 /nfs/dbraw/zinc/23/14/24/213231424.db2.gz DTCBDIOPEGXSGI-OAHLLOKOSA-N 1 2 327.211 4.388 10 0 EIAELO Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1[NH+]1CCCC1 ZINC000226330604 242098764 /nfs/dbraw/zinc/09/87/64/242098764.db2.gz CTAJFZGQWXAEGB-UHFFFAOYSA-N 1 2 329.831 4.083 10 0 EIAELO c1ccc2c(c1)nc1n2-c2nc3ccccc3n2-c2[nH+]c3ccccc3n2-1 ZINC000000352612 563290107 /nfs/dbraw/zinc/29/01/07/563290107.db2.gz JCTYEDJLEPLOAX-UHFFFAOYSA-N 1 2 348.369 4.017 10 0 EIAELO Nc1c(Nc2cccc(Cl)c2)nc[nH+]c1NCc1ccccc1 ZINC000040709292 213373391 /nfs/dbraw/zinc/37/33/91/213373391.db2.gz QYNMSEYKKYKTAV-UHFFFAOYSA-N 1 2 325.803 4.068 10 0 EIAELO Nc1c(NCc2ccccc2)nc[nH+]c1Nc1cccc(Cl)c1 ZINC000040709292 213373393 /nfs/dbraw/zinc/37/33/93/213373393.db2.gz QYNMSEYKKYKTAV-UHFFFAOYSA-N 1 2 325.803 4.068 10 0 EIAELO CCCCNc1nc[nH+]c(Nc2ccc(OCCCC)cc2)c1N ZINC000040706485 213371791 /nfs/dbraw/zinc/37/17/91/213371791.db2.gz ZZTJQGJBPJBNII-UHFFFAOYSA-N 1 2 329.448 4.193 10 0 EIAELO CCCCNc1[nH+]cnc(Nc2ccc(OCCCC)cc2)c1N ZINC000040706485 213371793 /nfs/dbraw/zinc/37/17/93/213371793.db2.gz ZZTJQGJBPJBNII-UHFFFAOYSA-N 1 2 329.448 4.193 10 0 EIAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 ZINC000040295658 213290042 /nfs/dbraw/zinc/29/00/42/213290042.db2.gz YPVHMQZODKGOPM-UHFFFAOYSA-N 1 2 327.815 4.452 10 0 EIAELO Brc1cc(CNc2ccccc2-n2cc[nH+]c2)cs1 ZINC000036920405 213126430 /nfs/dbraw/zinc/12/64/30/213126430.db2.gz LDAPVXOJGIPNFX-UHFFFAOYSA-N 1 2 334.242 4.308 10 0 EIAELO C[NH2+][C@@H](c1ccccc1Br)c1c(F)cc(F)cc1F ZINC000035469574 213031316 /nfs/dbraw/zinc/03/13/16/213031316.db2.gz WOPCNHHJIBGPIU-AWEZNQCLSA-N 1 2 330.147 4.175 10 0 EIAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000226255044 242093393 /nfs/dbraw/zinc/09/33/93/242093393.db2.gz FYMGOXQSXXKRHF-UHFFFAOYSA-N 1 2 329.831 4.165 10 0 EIAELO CCc1ccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000226254503 564117240 /nfs/dbraw/zinc/11/72/40/564117240.db2.gz UMTWIGSBBVPNCV-HNNXBMFYSA-N 1 2 337.467 4.462 10 0 EIAELO CCc1ccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)cc1 ZINC000226254503 564117241 /nfs/dbraw/zinc/11/72/41/564117241.db2.gz UMTWIGSBBVPNCV-HNNXBMFYSA-N 1 2 337.467 4.462 10 0 EIAELO CC(C)CCNc1nc[nH+]c(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040797815 213388621 /nfs/dbraw/zinc/38/86/21/213388621.db2.gz IGVFOZWQECPITH-UHFFFAOYSA-N 1 2 339.365 4.279 10 0 EIAELO CC(C)CCNc1[nH+]cnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040797815 213388622 /nfs/dbraw/zinc/38/86/22/213388622.db2.gz IGVFOZWQECPITH-UHFFFAOYSA-N 1 2 339.365 4.279 10 0 EIAELO Nc1c(NC2CCCCCC2)nc[nH+]c1Nc1cccc2ncccc21 ZINC000040797013 213387981 /nfs/dbraw/zinc/38/79/81/213387981.db2.gz OGXFRUCMRKOVAT-UHFFFAOYSA-N 1 2 348.454 4.485 10 0 EIAELO Nc1c(Nc2cccc3ncccc32)nc[nH+]c1NC1CCCCCC1 ZINC000040797013 213387977 /nfs/dbraw/zinc/38/79/77/213387977.db2.gz OGXFRUCMRKOVAT-UHFFFAOYSA-N 1 2 348.454 4.485 10 0 EIAELO CCN(CC)c1nc[nH+]c(NC(c2ccccc2)c2ccccc2)c1N ZINC000040723249 213376019 /nfs/dbraw/zinc/37/60/19/213376019.db2.gz SUFFQKNDGMREPO-UHFFFAOYSA-N 1 2 347.466 4.107 10 0 EIAELO CCN(CC)c1[nH+]cnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040723249 213376022 /nfs/dbraw/zinc/37/60/22/213376022.db2.gz SUFFQKNDGMREPO-UHFFFAOYSA-N 1 2 347.466 4.107 10 0 EIAELO Cc1cc(Cl)ccc1Nc1[nH+]cnc(N2CCCCCC2)c1N ZINC000040703145 213372221 /nfs/dbraw/zinc/37/22/21/213372221.db2.gz RKAYOFOVDFWGJB-UHFFFAOYSA-N 1 2 331.851 4.145 10 0 EIAELO Cc1cc(Cl)ccc1Nc1nc[nH+]c(N2CCCCCC2)c1N ZINC000040703145 213372224 /nfs/dbraw/zinc/37/22/24/213372224.db2.gz RKAYOFOVDFWGJB-UHFFFAOYSA-N 1 2 331.851 4.145 10 0 EIAELO Cc1cc2[nH+]c(CCO)n(Cc3c(F)cccc3Cl)c2cc1C ZINC000040310694 213291381 /nfs/dbraw/zinc/29/13/81/213291381.db2.gz JDPLYDPWSVFTBB-UHFFFAOYSA-N 1 2 332.806 4.029 10 0 EIAELO CC(C)CN(CC(C)C)C(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040231377 213283696 /nfs/dbraw/zinc/28/36/96/213283696.db2.gz HFSYUYDAQCXENX-UHFFFAOYSA-N 1 2 329.488 4.300 10 0 EIAELO C[C@@H]([NH2+]c1cc2ccccc2c(=O)[nH]1)c1cccc(Br)c1 ZINC000038012640 213189305 /nfs/dbraw/zinc/18/93/05/213189305.db2.gz RMIICTKJLDLRII-LLVKDONJSA-N 1 2 343.224 4.464 10 0 EIAELO COC(=O)[C@](C)([NH2+]C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000037971960 213178038 /nfs/dbraw/zinc/17/80/38/213178038.db2.gz KUQAJSDQEBUQHW-MRXNPFEDSA-N 1 2 330.255 4.304 10 0 EIAELO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3ccnc(C(C)C)n3)nc2c1 ZINC000077357701 563969157 /nfs/dbraw/zinc/96/91/57/563969157.db2.gz ORDNYEBIYFAESA-GOSISDBHSA-N 1 2 335.455 4.122 10 0 EIAELO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3ccnc(C(C)C)n3)nc2c1 ZINC000077357701 563969158 /nfs/dbraw/zinc/96/91/58/563969158.db2.gz ORDNYEBIYFAESA-GOSISDBHSA-N 1 2 335.455 4.122 10 0 EIAELO Cc1[nH+]cc2n1-c1ccc(Cl)cc1[C@H](c1ccccc1F)NC2 ZINC000034020435 568415162 /nfs/dbraw/zinc/41/51/62/568415162.db2.gz HMQYFIKOHHSETE-SFHVURJKSA-N 1 2 327.790 4.166 10 0 in-vitro EIAELO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC=C(c2cccs2)CC1 ZINC000117895712 1031266215 /nfs/dbraw/zinc/26/62/15/1031266215.db2.gz PEURSTDACZBYNN-MRXNPFEDSA-N 1 2 340.492 4.481 10 0 EIAELO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117895712 1031266231 /nfs/dbraw/zinc/26/62/31/1031266231.db2.gz PEURSTDACZBYNN-MRXNPFEDSA-N 1 2 340.492 4.481 10 0 EIAELO c1csc(Cn2cccc2C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092593454 1039571293 /nfs/dbraw/zinc/57/12/93/1039571293.db2.gz GKOMJJJNVGMHIS-QGZVFWFLSA-N 1 2 344.505 4.233 10 0 EIAELO c1csc(Cn2cccc2C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092593454 1039571316 /nfs/dbraw/zinc/57/13/16/1039571316.db2.gz GKOMJJJNVGMHIS-QGZVFWFLSA-N 1 2 344.505 4.233 10 0 EIAELO C[N@H+](Cc1ccc(Cl)cc1N)Cc1ccccc1Br ZINC000050443044 214056594 /nfs/dbraw/zinc/05/65/94/214056594.db2.gz NHVZERONXONKID-UHFFFAOYSA-N 1 2 339.664 4.317 10 0 EIAELO C[N@@H+](Cc1ccc(Cl)cc1N)Cc1ccccc1Br ZINC000050443044 214056597 /nfs/dbraw/zinc/05/65/97/214056597.db2.gz NHVZERONXONKID-UHFFFAOYSA-N 1 2 339.664 4.317 10 0 EIAELO C[N@H+](Cc1csc(Br)c1)Cc1c(N)cccc1Cl ZINC000104313377 219372522 /nfs/dbraw/zinc/37/25/22/219372522.db2.gz CLXFZZYPBDSZFE-UHFFFAOYSA-N 1 2 345.693 4.378 10 0 EIAELO C[N@@H+](Cc1csc(Br)c1)Cc1c(N)cccc1Cl ZINC000104313377 219372526 /nfs/dbraw/zinc/37/25/26/219372526.db2.gz CLXFZZYPBDSZFE-UHFFFAOYSA-N 1 2 345.693 4.378 10 0 EIAELO Nc1c(Nc2ccc(F)c(F)c2)nc[nH+]c1NC1CCCCCC1 ZINC000040800335 213388647 /nfs/dbraw/zinc/38/86/47/213388647.db2.gz XQJCIEAPGLRNBL-UHFFFAOYSA-N 1 2 333.386 4.215 10 0 EIAELO Nc1c(NC2CCCCCC2)nc[nH+]c1Nc1ccc(F)c(F)c1 ZINC000040800335 213388650 /nfs/dbraw/zinc/38/86/50/213388650.db2.gz XQJCIEAPGLRNBL-UHFFFAOYSA-N 1 2 333.386 4.215 10 0 EIAELO Nc1c(NC2CCCCC2)nc[nH+]c1Nc1ccc(F)c(Cl)c1 ZINC000040708693 213372272 /nfs/dbraw/zinc/37/22/72/213372272.db2.gz NHVNCLLMPNVSOF-UHFFFAOYSA-N 1 2 335.814 4.340 10 0 EIAELO Nc1c(Nc2ccc(F)c(Cl)c2)nc[nH+]c1NC1CCCCC1 ZINC000040708693 213372274 /nfs/dbraw/zinc/37/22/74/213372274.db2.gz NHVNCLLMPNVSOF-UHFFFAOYSA-N 1 2 335.814 4.340 10 0 EIAELO Cc1cc2[nH+]c(CCO)n(Cc3ccc4ccccc4c3)c2cc1C ZINC000040310703 213291504 /nfs/dbraw/zinc/29/15/04/213291504.db2.gz IMEQACMSSNZGKZ-UHFFFAOYSA-N 1 2 330.431 4.389 10 0 EIAELO Cc1nccc(C[NH2+][C@@H](c2cccs2)c2ccc(Cl)s2)n1 ZINC000038037752 213195945 /nfs/dbraw/zinc/19/59/45/213195945.db2.gz PSXWPZGFIUNBIL-HNNXBMFYSA-N 1 2 335.885 4.441 10 0 EIAELO Clc1ccc2[nH+]c(-c3ccsc3)cc(N3CCOCC3)c2c1 ZINC000253495231 244003351 /nfs/dbraw/zinc/00/33/51/244003351.db2.gz NEZWOPDEHYAZLJ-UHFFFAOYSA-N 1 2 330.840 4.453 10 0 EIAELO CC[C@@H]1C[N@H+](Cc2c(C)nn(CC)c2C)Cc2ccc(Cl)cc2O1 ZINC000012150724 211307647 /nfs/dbraw/zinc/30/76/47/211307647.db2.gz GRTCJZQSUZUFLT-QGZVFWFLSA-N 1 2 347.890 4.346 10 0 EIAELO CC[C@@H]1C[N@@H+](Cc2c(C)nn(CC)c2C)Cc2ccc(Cl)cc2O1 ZINC000012150724 211307650 /nfs/dbraw/zinc/30/76/50/211307650.db2.gz GRTCJZQSUZUFLT-QGZVFWFLSA-N 1 2 347.890 4.346 10 0 EIAELO