smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccoc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000287073030 1019557408 /nfs/dbraw/zinc/55/74/08/1019557408.db2.gz LGENPUJSMOUYRD-CYBMUJFWSA-N 1 2 347.484 4.344 50 0 EIAALO CC(C)c1ccoc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000287073030 1019557422 /nfs/dbraw/zinc/55/74/22/1019557422.db2.gz LGENPUJSMOUYRD-CYBMUJFWSA-N 1 2 347.484 4.344 50 0 EIAALO CC(C)[C@@H](O)c1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1)CCO2 ZINC000014886280 1024245289 /nfs/dbraw/zinc/24/52/89/1024245289.db2.gz KAPYUUODZIYLOK-HXUWFJFHSA-N 1 2 345.870 4.424 50 0 EIAALO CC(C)[C@@H](O)c1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1)CCO2 ZINC000014886280 1024245304 /nfs/dbraw/zinc/24/53/04/1024245304.db2.gz KAPYUUODZIYLOK-HXUWFJFHSA-N 1 2 345.870 4.424 50 0 EIAALO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000575547129 1045256907 /nfs/dbraw/zinc/25/69/07/1045256907.db2.gz XEDABUCXWDJVDY-QGZVFWFLSA-N 1 2 331.410 4.184 50 0 EIAALO CC[NH+](CC)Cc1csc(NC(=O)c2cc(F)ccc2Cl)n1 ZINC000585085699 1049459936 /nfs/dbraw/zinc/45/99/36/1049459936.db2.gz BUVNOQNALXLMMB-UHFFFAOYSA-N 1 2 341.839 4.030 50 0 EIAALO CCn1c(SCc2cn3cccc(C)c3[nH+]2)nnc1-c1ccccc1 ZINC000004277927 210159663 /nfs/dbraw/zinc/15/96/63/210159663.db2.gz UDLRGSUSJWUYJY-UHFFFAOYSA-N 1 2 349.463 4.213 50 0 EIAALO CCOc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000019788161 202020597 /nfs/dbraw/zinc/02/05/97/202020597.db2.gz UKTUJPFUEKRZNU-UHFFFAOYSA-N 1 2 344.886 4.057 50 0 EIAALO CCc1ccc(CN2CC[NH+](Cc3ccc(SC)cc3)CC2)cc1 ZINC000019842329 202023207 /nfs/dbraw/zinc/02/32/07/202023207.db2.gz MDFLWFCFFITZCN-UHFFFAOYSA-N 1 2 340.536 4.289 50 0 EIAALO c1ccc([C@@H]2C[C@H]([NH+]3CCCCC3)Oc3cc4c(cc32)OCO4)cc1 ZINC000020719697 202052956 /nfs/dbraw/zinc/05/29/56/202052956.db2.gz RQQFFNMHVWUEHQ-HRAATJIYSA-N 1 2 337.419 4.142 50 0 EIAALO CC(=O)NCCCCCc1[nH+]c2ccccc2n1[C@@H](C)c1ccccc1 ZINC000020868242 202055948 /nfs/dbraw/zinc/05/59/48/202055948.db2.gz MLQHJELMOAIZDA-KRWDZBQOSA-N 1 2 349.478 4.495 50 0 EIAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc2ccccc2o1 ZINC000022288954 202081830 /nfs/dbraw/zinc/08/18/30/202081830.db2.gz PLAVFBLLWKDGED-UHFFFAOYSA-N 1 2 341.436 4.128 50 0 EIAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC)c(OC)c2)no1 ZINC000021720591 202069765 /nfs/dbraw/zinc/06/97/65/202069765.db2.gz SGRMVULVGGWCFG-SFHVURJKSA-N 1 2 344.455 4.372 50 0 EIAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OCC)c(OC)c2)no1 ZINC000021720591 202069769 /nfs/dbraw/zinc/06/97/69/202069769.db2.gz SGRMVULVGGWCFG-SFHVURJKSA-N 1 2 344.455 4.372 50 0 EIAALO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000024250369 202114472 /nfs/dbraw/zinc/11/44/72/202114472.db2.gz ITWMBWHCCASCCZ-GFCCVEGCSA-N 1 2 329.350 4.208 50 0 EIAALO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000024250369 202114476 /nfs/dbraw/zinc/11/44/76/202114476.db2.gz ITWMBWHCCASCCZ-GFCCVEGCSA-N 1 2 329.350 4.208 50 0 EIAALO CCc1ccc(C[N@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000032850934 202238108 /nfs/dbraw/zinc/23/81/08/202238108.db2.gz RMWUNMGUTLTNIC-UHFFFAOYSA-N 1 2 340.496 4.085 50 0 EIAALO CCc1ccc(C[N@@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000032850934 202238112 /nfs/dbraw/zinc/23/81/12/202238112.db2.gz RMWUNMGUTLTNIC-UHFFFAOYSA-N 1 2 340.496 4.085 50 0 EIAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1cccc(Cl)c1C ZINC000032951067 202244277 /nfs/dbraw/zinc/24/42/77/202244277.db2.gz GLTXIESKHYRCMF-UHFFFAOYSA-N 1 2 342.830 4.128 50 0 EIAALO CCCCC(=O)Nc1ccccc1CCc1[nH+]c2ccccc2n1C ZINC000033019856 202247594 /nfs/dbraw/zinc/24/75/94/202247594.db2.gz SOVNVNIRIIQMIK-UHFFFAOYSA-N 1 2 335.451 4.487 50 0 EIAALO Cc1ccc2[nH+]cn(C3CCN(C(=O)[C@H]4CCCC[C@@H]4C)CC3)c2c1 ZINC000034915373 202281498 /nfs/dbraw/zinc/28/14/98/202281498.db2.gz NQXZPQISRYKKCA-WMZOPIPTSA-N 1 2 339.483 4.335 50 0 EIAALO CCCN(C)C(=O)Cn1c(Cc2ccccc2)[nH+]c2cc(C)c(C)cc21 ZINC000037398246 202340020 /nfs/dbraw/zinc/34/00/20/202340020.db2.gz WRLXGELRYZMDOT-UHFFFAOYSA-N 1 2 349.478 4.112 50 0 EIAALO COc1ccc(C[NH2+]Cc2csc(C(C)C)n2)c(Cl)c1OC ZINC000078656930 202399176 /nfs/dbraw/zinc/39/91/76/202399176.db2.gz GQGMPDVKPBJXHG-UHFFFAOYSA-N 1 2 340.876 4.227 50 0 EIAALO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229169024 201041111 /nfs/dbraw/zinc/04/11/11/201041111.db2.gz IPBPUCPVWHBYGT-VHSXEESVSA-N 1 2 331.363 4.133 50 0 EIAALO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229169024 201041115 /nfs/dbraw/zinc/04/11/15/201041115.db2.gz IPBPUCPVWHBYGT-VHSXEESVSA-N 1 2 331.363 4.133 50 0 EIAALO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000229178468 201041688 /nfs/dbraw/zinc/04/16/88/201041688.db2.gz KCYLWFYTAFHEDH-GXTWGEPZSA-N 1 2 339.361 4.380 50 0 EIAALO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000229178468 201041692 /nfs/dbraw/zinc/04/16/92/201041692.db2.gz KCYLWFYTAFHEDH-GXTWGEPZSA-N 1 2 339.361 4.380 50 0 EIAALO COc1cc(OC)c(C[NH2+][C@H](C)c2ccccc2Cl)c(OC)c1 ZINC000022781169 212323572 /nfs/dbraw/zinc/32/35/72/212323572.db2.gz DDWDDLGMHNETGW-GFCCVEGCSA-N 1 2 335.831 4.217 50 0 EIAALO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000215016639 241102700 /nfs/dbraw/zinc/10/27/00/241102700.db2.gz HZMPTBXXNRJTML-LJQANCHMSA-N 1 2 336.439 4.387 50 0 EIAALO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000215016639 241102704 /nfs/dbraw/zinc/10/27/04/241102704.db2.gz HZMPTBXXNRJTML-LJQANCHMSA-N 1 2 336.439 4.387 50 0 EIAALO Cc1cccc(-c2noc(C[NH2+][C@@H](c3ncccc3C)C(C)C)n2)c1 ZINC000070019808 203070736 /nfs/dbraw/zinc/07/07/36/203070736.db2.gz GWQHSKONIVBYCP-GOSISDBHSA-N 1 2 336.439 4.235 50 0 EIAALO Cc1csc([C@@H](C)n2cc[nH+]c2-c2cc3c(cc2C)OCCO3)n1 ZINC000071748801 203106333 /nfs/dbraw/zinc/10/63/33/203106333.db2.gz ZBHCUMVPCJIVFW-CYBMUJFWSA-N 1 2 341.436 4.004 50 0 EIAALO Clc1ccc([C@H]2C[N@H+](CCc3ccccn3)CCO2)cc1Cl ZINC000071751279 203107554 /nfs/dbraw/zinc/10/75/54/203107554.db2.gz SHECAWJMNGSQEB-QGZVFWFLSA-N 1 2 337.250 4.004 50 0 EIAALO Clc1ccc([C@H]2C[N@@H+](CCc3ccccn3)CCO2)cc1Cl ZINC000071751279 203107558 /nfs/dbraw/zinc/10/75/58/203107558.db2.gz SHECAWJMNGSQEB-QGZVFWFLSA-N 1 2 337.250 4.004 50 0 EIAALO Oc1cccc(-c2[nH+]ccn2Cc2csc(-c3cccs3)n2)c1 ZINC000071754806 203108526 /nfs/dbraw/zinc/10/85/26/203108526.db2.gz DTFLGFMBXAKTIZ-UHFFFAOYSA-N 1 2 339.445 4.489 50 0 EIAALO O[C@H]1Cc2ccccc2[C@H]1n1cc[nH+]c1-c1ccccc1-c1ccco1 ZINC000072422272 203220230 /nfs/dbraw/zinc/22/02/30/203220230.db2.gz DPAKNORGTMMRBG-PZJWPPBQSA-N 1 2 342.398 4.317 50 0 EIAALO CC(C)c1nc(C[N@H+](C)Cc2ccc(-c3cc[nH]n3)s2)cs1 ZINC000077301612 203378834 /nfs/dbraw/zinc/37/88/34/203378834.db2.gz CYUABXJDQFFBBA-UHFFFAOYSA-N 1 2 332.498 4.350 50 0 EIAALO CC(C)c1nc(C[N@@H+](C)Cc2ccc(-c3cc[nH]n3)s2)cs1 ZINC000077301612 203378836 /nfs/dbraw/zinc/37/88/36/203378836.db2.gz CYUABXJDQFFBBA-UHFFFAOYSA-N 1 2 332.498 4.350 50 0 EIAALO Cc1cc(C)n([C@H](C)Cn2cc[nH+]c2-c2c(C)ccc3ncccc32)n1 ZINC000077459396 203389037 /nfs/dbraw/zinc/38/90/37/203389037.db2.gz CTSMEWKEUMUCNJ-QGZVFWFLSA-N 1 2 345.450 4.481 50 0 EIAALO CC(C)c1nc(C[N@H+](C)Cc2cc(F)ccc2-n2cccn2)cs1 ZINC000077486128 203391676 /nfs/dbraw/zinc/39/16/76/203391676.db2.gz CVGZOTHJVGJFDV-UHFFFAOYSA-N 1 2 344.459 4.223 50 0 EIAALO CC(C)c1nc(C[N@@H+](C)Cc2cc(F)ccc2-n2cccn2)cs1 ZINC000077486128 203391678 /nfs/dbraw/zinc/39/16/78/203391678.db2.gz CVGZOTHJVGJFDV-UHFFFAOYSA-N 1 2 344.459 4.223 50 0 EIAALO Cc1cccc([C@@H]2CCCN(C(=O)c3ccccc3-c3[nH]cc[nH+]3)C2)c1 ZINC000077503249 203392282 /nfs/dbraw/zinc/39/22/82/203392282.db2.gz WGZBVHJFGZTREK-GOSISDBHSA-N 1 2 345.446 4.405 50 0 EIAALO Cc1cccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000095528518 203758842 /nfs/dbraw/zinc/75/88/42/203758842.db2.gz BRUSDRBJFXVKNK-KRWDZBQOSA-N 1 2 338.455 4.013 50 0 EIAALO Cc1noc(C)c1C[NH+](Cc1ccsc1)Cc1c(C)noc1C ZINC000103234532 204069681 /nfs/dbraw/zinc/06/96/81/204069681.db2.gz YFGZVCFEJQQAOG-UHFFFAOYSA-N 1 2 331.441 4.160 50 0 EIAALO CC(C)(C)c1nsc(Nc2ccc([NH2+]C3CCOCC3)cc2)n1 ZINC000159186648 206229681 /nfs/dbraw/zinc/22/96/81/206229681.db2.gz DBYGJHYISUNWKU-UHFFFAOYSA-N 1 2 332.473 4.170 50 0 EIAALO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000013058041 207283317 /nfs/dbraw/zinc/28/33/17/207283317.db2.gz MCPDFMRLUQCRPO-ZDUSSCGKSA-N 1 2 344.842 4.002 50 0 EIAALO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000013058041 207283320 /nfs/dbraw/zinc/28/33/20/207283320.db2.gz MCPDFMRLUQCRPO-ZDUSSCGKSA-N 1 2 344.842 4.002 50 0 EIAALO CC(C)CCC[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000032809232 258058307 /nfs/dbraw/zinc/05/83/07/258058307.db2.gz PYMUASBZNSYIDF-WMZOPIPTSA-N 1 2 342.487 4.024 50 0 EIAALO CCN(CCC(F)(F)F)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000071903040 258064169 /nfs/dbraw/zinc/06/41/69/258064169.db2.gz QGOPNVPDXUOAHP-UHFFFAOYSA-N 1 2 338.329 4.288 50 0 EIAALO Cc1cccc(-n2ncc3c2nc[nH+]c3NCCC2=CCCCC2)c1 ZINC000000426476 563310049 /nfs/dbraw/zinc/31/00/49/563310049.db2.gz JQBUSCASPGAGBD-UHFFFAOYSA-N 1 2 333.439 4.426 50 0 EIAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000004094504 563494270 /nfs/dbraw/zinc/49/42/70/563494270.db2.gz MTQITLUMPNUEFZ-OAHLLOKOSA-N 1 2 344.842 4.082 50 0 EIAALO CC(C)c1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)[nH]n1 ZINC000012306617 563657512 /nfs/dbraw/zinc/65/75/12/563657512.db2.gz OTHKIYSDVBLHIH-OAHLLOKOSA-N 1 2 345.874 4.281 50 0 EIAALO CC(C)c1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)[nH]n1 ZINC000012306617 563657514 /nfs/dbraw/zinc/65/75/14/563657514.db2.gz OTHKIYSDVBLHIH-OAHLLOKOSA-N 1 2 345.874 4.281 50 0 EIAALO COc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000032777594 563728798 /nfs/dbraw/zinc/72/87/98/563728798.db2.gz LZWFCODPDAACSV-SFHVURJKSA-N 1 2 344.842 4.124 50 0 EIAALO COc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000032777594 563728801 /nfs/dbraw/zinc/72/88/01/563728801.db2.gz LZWFCODPDAACSV-SFHVURJKSA-N 1 2 344.842 4.124 50 0 EIAALO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cn1ncn(C2CC2)c1=S ZINC000014205931 563750871 /nfs/dbraw/zinc/75/08/71/563750871.db2.gz JOTRXHCEFABVPV-UHFFFAOYSA-N 1 2 330.501 4.136 50 0 EIAALO C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cn1ncn(C2CC2)c1=S ZINC000014205931 563750873 /nfs/dbraw/zinc/75/08/73/563750873.db2.gz JOTRXHCEFABVPV-UHFFFAOYSA-N 1 2 330.501 4.136 50 0 EIAALO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000010767838 563861239 /nfs/dbraw/zinc/86/12/39/563861239.db2.gz ZLHGBZULJGYMSZ-LBPRGKRZSA-N 1 2 334.872 4.095 50 0 EIAALO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000010767838 563861242 /nfs/dbraw/zinc/86/12/42/563861242.db2.gz ZLHGBZULJGYMSZ-LBPRGKRZSA-N 1 2 334.872 4.095 50 0 EIAALO COc1ccccc1N1CC[NH+](C/C(Cl)=C/c2ccccc2)CC1 ZINC000019633041 563918166 /nfs/dbraw/zinc/91/81/66/563918166.db2.gz CFHPSOXPAURQOR-SDXDJHTJSA-N 1 2 342.870 4.097 50 0 EIAALO O=C(Nc1ccc2ccccc2c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038834153 563922344 /nfs/dbraw/zinc/92/23/44/563922344.db2.gz YQRGQLXOLNHPJP-UHFFFAOYSA-N 1 2 327.387 4.337 50 0 EIAALO Cc1cc(C)cc(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000055060428 563933457 /nfs/dbraw/zinc/93/34/57/563933457.db2.gz VYAYNCMQZYIQBU-RMKNXTFCSA-N 1 2 349.478 4.166 50 0 EIAALO CC(C)C[N@H+](Cc1c(Cl)nc2sccn21)Cc1ccccn1 ZINC000055401994 563934779 /nfs/dbraw/zinc/93/47/79/563934779.db2.gz RIUZVMQAHCPULF-UHFFFAOYSA-N 1 2 334.876 4.102 50 0 EIAALO CC(C)C[N@@H+](Cc1c(Cl)nc2sccn21)Cc1ccccn1 ZINC000055401994 563934780 /nfs/dbraw/zinc/93/47/80/563934780.db2.gz RIUZVMQAHCPULF-UHFFFAOYSA-N 1 2 334.876 4.102 50 0 EIAALO CCCCc1[nH]c(CN(Cc2ccsc2)Cc2cccnc2)c[nH+]1 ZINC000055403631 563934797 /nfs/dbraw/zinc/93/47/97/563934797.db2.gz BUXMNSNJHKDWBC-UHFFFAOYSA-N 1 2 340.496 4.411 50 0 EIAALO CCCCc1[nH]cc(CN(Cc2ccsc2)Cc2cccnc2)[nH+]1 ZINC000055403631 563934798 /nfs/dbraw/zinc/93/47/98/563934798.db2.gz BUXMNSNJHKDWBC-UHFFFAOYSA-N 1 2 340.496 4.411 50 0 EIAALO CCn1c2ccccc2c2cc(C[N@H+](C)Cc3nc(C)no3)ccc21 ZINC000058166868 563938719 /nfs/dbraw/zinc/93/87/19/563938719.db2.gz PWTRGCKDEGBVIL-UHFFFAOYSA-N 1 2 334.423 4.138 50 0 EIAALO CCn1c2ccccc2c2cc(C[N@@H+](C)Cc3nc(C)no3)ccc21 ZINC000058166868 563938720 /nfs/dbraw/zinc/93/87/20/563938720.db2.gz PWTRGCKDEGBVIL-UHFFFAOYSA-N 1 2 334.423 4.138 50 0 EIAALO Cc1cn2cc(NC(=O)c3ccccc3Cc3ccccc3)ccc2[nH+]1 ZINC000058416682 563945487 /nfs/dbraw/zinc/94/54/87/563945487.db2.gz KAVYISFRPMMOOQ-UHFFFAOYSA-N 1 2 341.414 4.486 50 0 EIAALO C[C@@H]1SCC[N@H+](Cc2nnc(-c3ccco3)o2)[C@@H]1c1ccccc1 ZINC000096411494 563950600 /nfs/dbraw/zinc/95/06/00/563950600.db2.gz CKVKMXUGIBCJGF-GUYCJALGSA-N 1 2 341.436 4.008 50 0 EIAALO C[C@@H]1SCC[N@@H+](Cc2nnc(-c3ccco3)o2)[C@@H]1c1ccccc1 ZINC000096411494 563950602 /nfs/dbraw/zinc/95/06/02/563950602.db2.gz CKVKMXUGIBCJGF-GUYCJALGSA-N 1 2 341.436 4.008 50 0 EIAALO CCC[C@@H](C)c1c(-c2ccccc2)[nH+]cn1Cc1noc(COC)n1 ZINC000065501162 563961707 /nfs/dbraw/zinc/96/17/07/563961707.db2.gz ROTLFMRURLFATL-CQSZACIVSA-N 1 2 340.427 4.031 50 0 EIAALO CC(C)c1ccc(NCc2ccc[nH+]c2N(C)Cc2ccccc2)nn1 ZINC000067458466 563962300 /nfs/dbraw/zinc/96/23/00/563962300.db2.gz PGAGLGNUIBQURF-UHFFFAOYSA-N 1 2 347.466 4.244 50 0 EIAALO c1coc(-c2ccccc2C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccoc2)c1 ZINC000067756451 563962659 /nfs/dbraw/zinc/96/26/59/563962659.db2.gz HXBRBKNDTNLJNU-OAQYLSRUSA-N 1 2 345.402 4.410 50 0 EIAALO c1coc(-c2ccccc2C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccoc2)c1 ZINC000067756451 563962660 /nfs/dbraw/zinc/96/26/60/563962660.db2.gz HXBRBKNDTNLJNU-OAQYLSRUSA-N 1 2 345.402 4.410 50 0 EIAALO FC(F)(F)c1cccc2c(N3CCC[C@H](c4cc[nH]n4)C3)cc[nH+]c21 ZINC000067934232 563963108 /nfs/dbraw/zinc/96/31/08/563963108.db2.gz GNLQQCKNBZITJT-LBPRGKRZSA-N 1 2 346.356 4.361 50 0 EIAALO Cc1ccccc1CCC(=O)N1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095497530 563977006 /nfs/dbraw/zinc/97/70/06/563977006.db2.gz HGHAKWNDUSXUIQ-IBGZPJMESA-N 1 2 339.483 4.111 50 0 EIAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000095529195 563977533 /nfs/dbraw/zinc/97/75/33/563977533.db2.gz KWPMGAAZUXVATQ-GFCCVEGCSA-N 1 2 337.876 4.199 50 0 EIAALO 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Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000215235836 241115324 /nfs/dbraw/zinc/11/53/24/241115324.db2.gz GZGWDRKDXNVEPL-IBGZPJMESA-N 1 2 347.462 4.141 50 0 EIAALO CSc1ccc2c(C)cc(N3CCO[C@H](C(F)(F)F)C3)[nH+]c2c1 ZINC000071752125 203108566 /nfs/dbraw/zinc/10/85/66/203108566.db2.gz AGOKDGFIYYPQKZ-AWEZNQCLSA-N 1 2 342.386 4.033 50 0 EIAALO Cc1nc(N2CCO[C@H](c3ccc(Cl)cc3)C2)cc(C(C)C)[nH+]1 ZINC000071762772 203110688 /nfs/dbraw/zinc/11/06/88/203110688.db2.gz PUNQZVWYRDDFDR-KRWDZBQOSA-N 1 2 331.847 4.140 50 0 EIAALO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1sc2ccccc2c1Cl ZINC000071843161 203127113 /nfs/dbraw/zinc/12/71/13/203127113.db2.gz IXLHSRJQJJHWTA-OLZOCXBDSA-N 1 2 345.855 4.275 50 0 EIAALO Cc1nc([C@H](C)[N@H+](C)Cc2cnc(-c3cccs3)nc2)c(C)s1 ZINC000072144763 203169852 /nfs/dbraw/zinc/16/98/52/203169852.db2.gz OUKPRIVPGIKTPU-NSHDSACASA-N 1 2 344.509 4.471 50 0 EIAALO Cc1nc([C@H](C)[N@@H+](C)Cc2cnc(-c3cccs3)nc2)c(C)s1 ZINC000072144763 203169854 /nfs/dbraw/zinc/16/98/54/203169854.db2.gz OUKPRIVPGIKTPU-NSHDSACASA-N 1 2 344.509 4.471 50 0 EIAALO CNc1nc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cs1 ZINC000072148144 203171507 /nfs/dbraw/zinc/17/15/07/203171507.db2.gz ADBBGZLNRYSTJH-ZDUSSCGKSA-N 1 2 330.482 4.132 50 0 EIAALO CNc1nc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cs1 ZINC000072148144 203171509 /nfs/dbraw/zinc/17/15/09/203171509.db2.gz ADBBGZLNRYSTJH-ZDUSSCGKSA-N 1 2 330.482 4.132 50 0 EIAALO O=C(c1ccccc1Oc1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072454679 203228158 /nfs/dbraw/zinc/22/81/58/203228158.db2.gz QVVFKYNEKFMRHO-UHFFFAOYSA-N 1 2 347.418 4.222 50 0 EIAALO O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075555954 203318602 /nfs/dbraw/zinc/31/86/02/203318602.db2.gz XWIATFINYPKAGL-KRWDZBQOSA-N 1 2 347.418 4.222 50 0 EIAALO Cc1cccc([C@H]2CCCN(C(=O)c3ccccc3-c3[nH]cc[nH+]3)C2)c1 ZINC000077503251 203392255 /nfs/dbraw/zinc/39/22/55/203392255.db2.gz WGZBVHJFGZTREK-SFHVURJKSA-N 1 2 345.446 4.405 50 0 EIAALO Cc1cc2nnc(SCc3cn4ccccc4[nH+]3)n2c2ccccc12 ZINC000013127348 207352858 /nfs/dbraw/zinc/35/28/58/207352858.db2.gz QGOIQRQXIWSNJF-UHFFFAOYSA-N 1 2 345.431 4.131 50 0 EIAALO Cc1cc([C@H](C)[NH2+]Cc2nc(Cc3ccccc3)no2)c(C)s1 ZINC000194561742 257951805 /nfs/dbraw/zinc/95/18/05/257951805.db2.gz HAOIQKYFCSVMTH-ZDUSSCGKSA-N 1 2 327.453 4.190 50 0 EIAALO c1sc(-c2ccccc2)nc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000053151344 132186589 /nfs/dbraw/zinc/18/65/89/132186589.db2.gz YXAYUWVURAQPQH-UHFFFAOYSA-N 1 2 335.476 4.132 50 0 EIAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2cc(-c3ccncc3)no2)no1 ZINC000244626684 535370362 /nfs/dbraw/zinc/37/03/62/535370362.db2.gz FQOYHQNJHIARLB-GOSISDBHSA-N 1 2 338.411 4.185 50 0 EIAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2cc(-c3ccncc3)no2)no1 ZINC000244626684 535370364 /nfs/dbraw/zinc/37/03/64/535370364.db2.gz FQOYHQNJHIARLB-GOSISDBHSA-N 1 2 338.411 4.185 50 0 EIAALO Cc1[nH+]c2ccccc2c2c1C[C@H]([C@](C)(Cl)Br)O2 ZINC000000436229 564036659 /nfs/dbraw/zinc/03/66/59/564036659.db2.gz HIELOUZGQULWCY-OCCSQVGLSA-N 1 2 326.621 4.197 50 0 EIAALO Cc1ccc2cc(C)c(N3CCN(c4ccc(F)cc4)CC3)[nH+]c2c1 ZINC000004755948 563510443 /nfs/dbraw/zinc/51/04/43/563510443.db2.gz BPGIFUVAJFBCRK-UHFFFAOYSA-N 1 2 335.426 4.317 50 0 EIAALO Cc1cc(C(=O)Cn2c(C)[nH+]c3ccccc32)c(C)n1Cc1ccco1 ZINC000010008799 563645608 /nfs/dbraw/zinc/64/56/08/563645608.db2.gz CHHDIIVUAUHZJM-UHFFFAOYSA-N 1 2 347.418 4.287 50 0 EIAALO Cc1c[nH]c(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccccc2C)[nH+]1 ZINC000012446160 563661245 /nfs/dbraw/zinc/66/12/45/563661245.db2.gz AJIRRWDLUUCTKI-FQEVSTJZSA-N 1 2 347.462 4.207 50 0 EIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N[C@@H](C)c2ccccc2)cc1 ZINC000004354984 563666428 /nfs/dbraw/zinc/66/64/28/563666428.db2.gz AXFRDGWJMVXSNR-HNNXBMFYSA-N 1 2 329.407 4.297 50 0 EIAALO Cc1[nH]c2ccc(NC(=O)Cc3nc(-c4ccccc4)oc3C)cc2[nH+]1 ZINC000012793598 563672310 /nfs/dbraw/zinc/67/23/10/563672310.db2.gz XHNZHCYNDCKYHE-UHFFFAOYSA-N 1 2 346.390 4.016 50 0 EIAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccccc3Cl)n2)C1 ZINC000013016356 563685513 /nfs/dbraw/zinc/68/55/13/563685513.db2.gz WYJMVHOZIKBCHA-GFCCVEGCSA-N 1 2 349.887 4.281 50 0 EIAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccccc3Cl)n2)C1 ZINC000013016356 563685517 /nfs/dbraw/zinc/68/55/17/563685517.db2.gz WYJMVHOZIKBCHA-GFCCVEGCSA-N 1 2 349.887 4.281 50 0 EIAALO Cc1ccc(-n2cnn(C[NH+]3CCC(C)CC3)c2=S)cc1Cl ZINC000013069576 563686892 /nfs/dbraw/zinc/68/68/92/563686892.db2.gz IWIOUMICRUXIOI-UHFFFAOYSA-N 1 2 336.892 4.055 50 0 EIAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1cc(C)ccc1C ZINC000015860741 563797118 /nfs/dbraw/zinc/79/71/18/563797118.db2.gz IRBSXHSPKQHWNH-KRWDZBQOSA-N 1 2 338.451 4.046 50 0 EIAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N1CCC[C@@H](C)C1 ZINC000017121513 563837181 /nfs/dbraw/zinc/83/71/81/563837181.db2.gz LUPOCCFKHGPJDX-GFCCVEGCSA-N 1 2 341.846 4.014 50 0 EIAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N1CCC[C@H](C)C1 ZINC000017121517 563837232 /nfs/dbraw/zinc/83/72/32/563837232.db2.gz LUPOCCFKHGPJDX-LBPRGKRZSA-N 1 2 341.846 4.014 50 0 EIAALO Cc1c2ccccc2oc1C(=O)N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000010643854 563853273 /nfs/dbraw/zinc/85/32/73/563853273.db2.gz ZOIAPABSDMHUEW-KRWDZBQOSA-N 1 2 345.402 4.178 50 0 EIAALO Cc1cc(Cl)ccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038849535 563922321 /nfs/dbraw/zinc/92/23/21/563922321.db2.gz MCQZJUFZDQYACY-UHFFFAOYSA-N 1 2 325.799 4.146 50 0 EIAALO Cc1c(Cl)cccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038849646 563922381 /nfs/dbraw/zinc/92/23/81/563922381.db2.gz INAHZWDLEUMVQE-UHFFFAOYSA-N 1 2 325.799 4.146 50 0 EIAALO COCC[N@H+](Cc1c(Cl)nc2sccn21)Cc1ccc(C)cc1 ZINC000055281692 563934290 /nfs/dbraw/zinc/93/42/90/563934290.db2.gz ZVWANBQSVDVLMZ-UHFFFAOYSA-N 1 2 349.887 4.006 50 0 EIAALO COCC[N@@H+](Cc1c(Cl)nc2sccn21)Cc1ccc(C)cc1 ZINC000055281692 563934291 /nfs/dbraw/zinc/93/42/91/563934291.db2.gz ZVWANBQSVDVLMZ-UHFFFAOYSA-N 1 2 349.887 4.006 50 0 EIAALO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1c(Cl)cccc1Cl ZINC000096446792 563953420 /nfs/dbraw/zinc/95/34/20/563953420.db2.gz KCXIYCGVTVHMBL-UHFFFAOYSA-N 1 2 346.217 4.109 50 0 EIAALO CC(C)Oc1ccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000096454964 563953848 /nfs/dbraw/zinc/95/38/48/563953848.db2.gz BTRWPTKCUCVTCO-INIZCTEOSA-N 1 2 346.406 4.095 50 0 EIAALO COc1ccc(-c2[nH+]ccn2[C@H](C)c2ccc(O)cc2)c(OC)c1C ZINC000067820371 563962843 /nfs/dbraw/zinc/96/28/43/563962843.db2.gz PFOUUFSGGWCQGX-CQSZACIVSA-N 1 2 338.407 4.191 50 0 EIAALO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2nnc(-c3ccc(F)cc3)o2)s1 ZINC000072610883 563975017 /nfs/dbraw/zinc/97/50/17/563975017.db2.gz GBPHDDNOPANCET-LLVKDONJSA-N 1 2 346.431 4.142 50 0 EIAALO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2nnc(-c3ccc(F)cc3)o2)s1 ZINC000072610883 563975018 /nfs/dbraw/zinc/97/50/18/563975018.db2.gz GBPHDDNOPANCET-LLVKDONJSA-N 1 2 346.431 4.142 50 0 EIAALO Cc1ccc(C)c(C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)c1 ZINC000091519368 563975447 /nfs/dbraw/zinc/97/54/47/563975447.db2.gz NAGVEILVJQJJPA-UHFFFAOYSA-N 1 2 325.456 4.101 50 0 EIAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCCCC[C@H]1c1ccco1 ZINC000095357884 563976737 /nfs/dbraw/zinc/97/67/37/563976737.db2.gz VVVLKVQRKFJUDT-KRWDZBQOSA-N 1 2 335.407 4.427 50 0 EIAALO Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)c1 ZINC000095385262 563976948 /nfs/dbraw/zinc/97/69/48/563976948.db2.gz ZWRDZUCKWSSZIA-QGZVFWFLSA-N 1 2 325.456 4.101 50 0 EIAALO C[N@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1cnc2ccccc2n1 ZINC000097600993 563981722 /nfs/dbraw/zinc/98/17/22/563981722.db2.gz IYPQNURZTXNFCY-IBGZPJMESA-N 1 2 337.423 4.096 50 0 EIAALO C[N@@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1cnc2ccccc2n1 ZINC000097600993 563981723 /nfs/dbraw/zinc/98/17/23/563981723.db2.gz IYPQNURZTXNFCY-IBGZPJMESA-N 1 2 337.423 4.096 50 0 EIAALO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000252480709 563997735 /nfs/dbraw/zinc/99/77/35/563997735.db2.gz CDWOFJQIMKXMFU-CYBMUJFWSA-N 1 2 331.366 4.080 50 0 EIAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1c(C)cccc1C ZINC000000242851 564000128 /nfs/dbraw/zinc/00/01/28/564000128.db2.gz RSSIQJZZTLNSHR-KRWDZBQOSA-N 1 2 338.451 4.046 50 0 EIAALO C[C@@H](CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000017796284 564013035 /nfs/dbraw/zinc/01/30/35/564013035.db2.gz DURBBTVUYBLPOW-IRXDYDNUSA-N 1 2 333.435 4.243 50 0 EIAALO Cc1nc(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)no1 ZINC000181598273 564024206 /nfs/dbraw/zinc/02/42/06/564024206.db2.gz QYILMSLXJXAJFW-QGZVFWFLSA-N 1 2 327.815 4.105 50 0 EIAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(F)cc3)n2)on1 ZINC000047273771 564026050 /nfs/dbraw/zinc/02/60/50/564026050.db2.gz MFVHMHBQIHKHHM-MRXNPFEDSA-N 1 2 327.359 4.114 50 0 EIAALO Cc1cc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc(F)cc3)n2)on1 ZINC000047273771 564026051 /nfs/dbraw/zinc/02/60/51/564026051.db2.gz MFVHMHBQIHKHHM-MRXNPFEDSA-N 1 2 327.359 4.114 50 0 EIAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(C(C)(C)C)o2)cc1OC ZINC000048290984 564030552 /nfs/dbraw/zinc/03/05/52/564030552.db2.gz BVUXYJWDWMQBBT-OAHLLOKOSA-N 1 2 344.455 4.326 50 0 EIAALO COc1ccc([C@H]2CCC[N@H+]2Cc2ncc(C(C)(C)C)o2)cc1OC ZINC000048290984 564030553 /nfs/dbraw/zinc/03/05/53/564030553.db2.gz BVUXYJWDWMQBBT-OAHLLOKOSA-N 1 2 344.455 4.326 50 0 EIAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1Cl ZINC000048333760 564031143 /nfs/dbraw/zinc/03/11/43/564031143.db2.gz RDWMDRBGLOCNEU-UHFFFAOYSA-N 1 2 343.858 4.045 50 0 EIAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccsc2)c1C ZINC000040154231 564045524 /nfs/dbraw/zinc/04/55/24/564045524.db2.gz INIZFICLLUGPQC-CZUORRHYSA-N 1 2 344.480 4.304 50 0 EIAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2ccsc2)c1C ZINC000040154231 564045525 /nfs/dbraw/zinc/04/55/25/564045525.db2.gz INIZFICLLUGPQC-CZUORRHYSA-N 1 2 344.480 4.304 50 0 EIAALO CC(C)c1noc(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000025461163 564054457 /nfs/dbraw/zinc/05/44/57/564054457.db2.gz YDBKQVLHMDIBOQ-IBGZPJMESA-N 1 2 333.435 4.341 50 0 EIAALO CC(C)c1noc(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000025461163 564054458 /nfs/dbraw/zinc/05/44/58/564054458.db2.gz YDBKQVLHMDIBOQ-IBGZPJMESA-N 1 2 333.435 4.341 50 0 EIAALO C[C@H]1CCCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000003283471 564058983 /nfs/dbraw/zinc/05/89/83/564058983.db2.gz UNDWBEVAWGGZFA-ZDUSSCGKSA-N 1 2 339.464 4.026 50 0 EIAALO C[C@H]1CCCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000003283471 564058984 /nfs/dbraw/zinc/05/89/84/564058984.db2.gz UNDWBEVAWGGZFA-ZDUSSCGKSA-N 1 2 339.464 4.026 50 0 EIAALO CC(=O)Nc1c(C)cc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1C ZINC000084051395 564065931 /nfs/dbraw/zinc/06/59/31/564065931.db2.gz NXWUCTZLDALBOF-UHFFFAOYSA-N 1 2 348.450 4.368 50 0 EIAALO CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000012936220 564079275 /nfs/dbraw/zinc/07/92/75/564079275.db2.gz VXVIILGBUBXKMR-LLVKDONJSA-N 1 2 347.871 4.221 50 0 EIAALO CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000012936220 564079276 /nfs/dbraw/zinc/07/92/76/564079276.db2.gz VXVIILGBUBXKMR-LLVKDONJSA-N 1 2 347.871 4.221 50 0 EIAALO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000239284869 564088054 /nfs/dbraw/zinc/08/80/54/564088054.db2.gz CGSCAGIEIYXAOJ-STQMWFEESA-N 1 2 341.282 4.444 50 0 EIAALO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000239284869 564088055 /nfs/dbraw/zinc/08/80/55/564088055.db2.gz CGSCAGIEIYXAOJ-STQMWFEESA-N 1 2 341.282 4.444 50 0 EIAALO Cc1ccc(C)c(Cn2cc[nH+]c2CN(C(=O)CC(C)C)C(C)C)c1 ZINC000006690143 564095812 /nfs/dbraw/zinc/09/58/12/564095812.db2.gz HWYBMFNTZRDFTH-UHFFFAOYSA-N 1 2 341.499 4.331 50 0 EIAALO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007266612 564106149 /nfs/dbraw/zinc/10/61/49/564106149.db2.gz LIPIQWGLTYGRSV-LBPRGKRZSA-N 1 2 337.250 4.452 50 0 EIAALO C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000007266612 564106150 /nfs/dbraw/zinc/10/61/50/564106150.db2.gz LIPIQWGLTYGRSV-LBPRGKRZSA-N 1 2 337.250 4.452 50 0 EIAALO O=C(C[C@@H]1C=CCC1)N[C@H](Cc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000065493955 564106516 /nfs/dbraw/zinc/10/65/16/564106516.db2.gz FZDKQGGTURVRMO-GDBMZVCRSA-N 1 2 345.393 4.035 50 0 EIAALO Cc1nc(CO[C@H]2CC[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)cs1 ZINC000170599807 564109260 /nfs/dbraw/zinc/10/92/60/564109260.db2.gz GLUPPYLBLSRCQS-WFASDCNBSA-N 1 2 349.500 4.089 50 0 EIAALO Cc1nc(CO[C@H]2CC[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)cs1 ZINC000170599807 564109261 /nfs/dbraw/zinc/10/92/61/564109261.db2.gz GLUPPYLBLSRCQS-WFASDCNBSA-N 1 2 349.500 4.089 50 0 EIAALO FC(F)(F)Cn1cc[nH+]c1CN1CCC(=Cc2ccccc2)CC1 ZINC000089828179 564114109 /nfs/dbraw/zinc/11/41/09/564114109.db2.gz UCRXQIDKMJPWBG-UHFFFAOYSA-N 1 2 335.373 4.125 50 0 EIAALO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ncoc1-c1cccs1 ZINC000076017341 564114328 /nfs/dbraw/zinc/11/43/28/564114328.db2.gz RSGVIRQXPWPROJ-UHFFFAOYSA-N 1 2 336.376 4.046 50 0 EIAALO Cc1cccn2cc(CNC(=O)[C@H]3C[C@@H]3c3ccc(C(C)C)cc3)[nH+]c12 ZINC000170636893 564117325 /nfs/dbraw/zinc/11/73/25/564117325.db2.gz BZNQECARXFWASC-UXHICEINSA-N 1 2 347.462 4.186 50 0 EIAALO Cc1cccn2cc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(C(C)C)cc3)[nH+]c12 ZINC000170636892 564117341 /nfs/dbraw/zinc/11/73/41/564117341.db2.gz BZNQECARXFWASC-WOJBJXKFSA-N 1 2 347.462 4.186 50 0 EIAALO C[C@H]([NH2+]Cc1sccc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000193132388 564118534 /nfs/dbraw/zinc/11/85/34/564118534.db2.gz QRMWVVZDDHGMET-VIFPVBQESA-N 1 2 337.807 4.441 50 0 EIAALO O=C(Cc1ccccc1F)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000007725413 564122293 /nfs/dbraw/zinc/12/22/93/564122293.db2.gz HXCQSYHTNHTXTG-UHFFFAOYSA-N 1 2 337.398 4.083 50 0 EIAALO c1cn(Cc2ccc(-c3ccccc3CNc3cnccn3)cc2)c[nH+]1 ZINC000301210657 564122563 /nfs/dbraw/zinc/12/25/63/564122563.db2.gz UVOFCWPGNJDIPP-UHFFFAOYSA-N 1 2 341.418 4.001 50 0 EIAALO Cc1ccc[nH+]c1[C@@H]1CCC[C@@H](Nc2cccc(C[S@](C)=O)c2)C1 ZINC000390834476 564138973 /nfs/dbraw/zinc/13/89/73/564138973.db2.gz ZMKSZCBQXQCCAS-YJLYGGOZSA-N 1 2 342.508 4.407 50 0 EIAALO C[C@H]1CN(c2ccc(Nc3nc4ccccc4s3)c[nH+]2)C[C@H](C)O1 ZINC000095356642 564139264 /nfs/dbraw/zinc/13/92/64/564139264.db2.gz VTCQGSQXOSMQPX-STQMWFEESA-N 1 2 340.452 4.049 50 0 EIAALO CC(C)c1cc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)on1 ZINC000095422475 564140100 /nfs/dbraw/zinc/14/01/00/564140100.db2.gz WVFITHAFPKHLKJ-JTQLQIEISA-N 1 2 328.334 4.389 50 0 EIAALO CC(C)c1nc(CNc2ccccc2OCCn2cc[nH+]c2)cs1 ZINC000095428816 564140276 /nfs/dbraw/zinc/14/02/76/564140276.db2.gz CKIRIRGFRLLOTF-UHFFFAOYSA-N 1 2 342.468 4.154 50 0 EIAALO COCC[C@@H]([NH2+]Cc1nc(C)c(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000284785623 564149300 /nfs/dbraw/zinc/14/93/00/564149300.db2.gz NPLBQEWCTLMTCY-OAHLLOKOSA-N 1 2 343.254 4.466 50 0 EIAALO COc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000057388445 564153864 /nfs/dbraw/zinc/15/38/64/564153864.db2.gz MXHVDWVNUDRCLT-GOSISDBHSA-N 1 2 344.842 4.124 50 0 EIAALO Cc1cc2nn(C[N@H+]3CCC[C@@H](C)C3)c(=S)n2c2ccccc12 ZINC000003315341 564157303 /nfs/dbraw/zinc/15/73/03/564157303.db2.gz UAQFQIPVRAQXIG-CYBMUJFWSA-N 1 2 326.469 4.016 50 0 EIAALO Cc1cc2nn(C[N@@H+]3CCC[C@@H](C)C3)c(=S)n2c2ccccc12 ZINC000003315341 564157304 /nfs/dbraw/zinc/15/73/04/564157304.db2.gz UAQFQIPVRAQXIG-CYBMUJFWSA-N 1 2 326.469 4.016 50 0 EIAALO Cc1ccc(Cn2ncnc2[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000670447505 564159022 /nfs/dbraw/zinc/15/90/22/564159022.db2.gz GZSBXIZLJQMCMJ-OAQYLSRUSA-N 1 2 346.478 4.362 50 0 EIAALO Cc1ccc(Cn2ncnc2[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000670447505 564159023 /nfs/dbraw/zinc/15/90/23/564159023.db2.gz GZSBXIZLJQMCMJ-OAQYLSRUSA-N 1 2 346.478 4.362 50 0 EIAALO CCCCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)[nH+]c21 ZINC000008469241 564165392 /nfs/dbraw/zinc/16/53/92/564165392.db2.gz HXTSEXFNDVYOHJ-UHFFFAOYSA-N 1 2 333.391 4.485 50 0 EIAALO CCOC(=O)c1ccoc1C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000040153631 564168403 /nfs/dbraw/zinc/16/84/03/564168403.db2.gz FEGVHDJJIHNBGC-UHFFFAOYSA-N 1 2 333.815 4.274 50 0 EIAALO CCOC(=O)c1ccoc1C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000040153631 564168404 /nfs/dbraw/zinc/16/84/04/564168404.db2.gz FEGVHDJJIHNBGC-UHFFFAOYSA-N 1 2 333.815 4.274 50 0 EIAALO CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccc(Cl)cc1 ZINC000009117983 564169068 /nfs/dbraw/zinc/16/90/68/564169068.db2.gz UFIZTWJIBVCPNH-GFCCVEGCSA-N 1 2 336.892 4.190 50 0 EIAALO Cc1cc(C)c(NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)c(C)[nH+]1 ZINC000253425331 1037089821 /nfs/dbraw/zinc/08/98/21/1037089821.db2.gz SNDCLNKVDIYTKW-UHFFFAOYSA-N 1 2 337.345 4.088 50 0 EIAALO CCCCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)cc2)c1=[NH2+] ZINC000019832390 202022994 /nfs/dbraw/zinc/02/29/94/202022994.db2.gz NVBRUDUQVFCLRC-SFHVURJKSA-N 1 2 343.858 4.109 50 0 EIAALO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000020783899 202054984 /nfs/dbraw/zinc/05/49/84/202054984.db2.gz NKQNZGUMANYFAO-HXUWFJFHSA-N 1 2 345.446 4.172 50 0 EIAALO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000020783899 202054987 /nfs/dbraw/zinc/05/49/87/202054987.db2.gz NKQNZGUMANYFAO-HXUWFJFHSA-N 1 2 345.446 4.172 50 0 EIAALO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000020783899 202054990 /nfs/dbraw/zinc/05/49/90/202054990.db2.gz NKQNZGUMANYFAO-HXUWFJFHSA-N 1 2 345.446 4.172 50 0 EIAALO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000020783899 202054993 /nfs/dbraw/zinc/05/49/93/202054993.db2.gz NKQNZGUMANYFAO-HXUWFJFHSA-N 1 2 345.446 4.172 50 0 EIAALO CCn1cc[nH+]c1Cn1ccc(-c2cccc(-c3ccncc3C)c2)n1 ZINC000020994983 202060266 /nfs/dbraw/zinc/06/02/66/202060266.db2.gz NGRSBOZXFRWOBM-UHFFFAOYSA-N 1 2 343.434 4.185 50 0 EIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(F)c3)c2C1 ZINC000023990138 202110605 /nfs/dbraw/zinc/11/06/05/202110605.db2.gz BPWCQWHVLXJNLW-UHFFFAOYSA-N 1 2 349.409 4.004 50 0 EIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(F)c3)c2C1 ZINC000023990138 202110608 /nfs/dbraw/zinc/11/06/08/202110608.db2.gz BPWCQWHVLXJNLW-UHFFFAOYSA-N 1 2 349.409 4.004 50 0 EIAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccccc3)cc2)n1 ZINC000023993965 202111391 /nfs/dbraw/zinc/11/13/91/202111391.db2.gz PELKPFVHNDNLGW-UHFFFAOYSA-N 1 2 347.422 4.213 50 0 EIAALO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000024250687 202115115 /nfs/dbraw/zinc/11/51/15/202115115.db2.gz IBPVFFGRSKZYPW-JTQLQIEISA-N 1 2 335.379 4.269 50 0 EIAALO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000024250687 202115119 /nfs/dbraw/zinc/11/51/19/202115119.db2.gz IBPVFFGRSKZYPW-JTQLQIEISA-N 1 2 335.379 4.269 50 0 EIAALO Cn1c2ccc(NC(=O)C3CCC3)cc2[nH+]c1CCc1ccccc1 ZINC000033020500 202247045 /nfs/dbraw/zinc/24/70/45/202247045.db2.gz FWUQTVJFTQIILF-UHFFFAOYSA-N 1 2 333.435 4.097 50 0 EIAALO CC(C)c1ccc(/C=C2\SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000033908399 202271884 /nfs/dbraw/zinc/27/18/84/202271884.db2.gz FMUVTAXZJKTZJG-ATVHPVEESA-N 1 2 344.480 4.290 50 0 EIAALO Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069870883 202296476 /nfs/dbraw/zinc/29/64/76/202296476.db2.gz POSYWKQPZWUVQD-AWEZNQCLSA-N 1 2 343.427 4.023 50 0 EIAALO C[C@H](C(=O)Nc1c(F)cccc1Oc1ccccc1)n1cc[nH+]c1 ZINC000071885793 202352572 /nfs/dbraw/zinc/35/25/72/202352572.db2.gz LAWATHZRQYQNNA-CYBMUJFWSA-N 1 2 325.343 4.014 50 0 EIAALO Cc1nc(CO[C@@H]2CC[N@@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C2)cs1 ZINC000225400979 201034260 /nfs/dbraw/zinc/03/42/60/201034260.db2.gz GLUPPYLBLSRCQS-IUODEOHRSA-N 1 2 349.500 4.089 50 0 EIAALO Cc1nc(CO[C@@H]2CC[N@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C2)cs1 ZINC000225400979 201034264 /nfs/dbraw/zinc/03/42/64/201034264.db2.gz GLUPPYLBLSRCQS-IUODEOHRSA-N 1 2 349.500 4.089 50 0 EIAALO Clc1ccc(-c2nc(C[NH+]3CCC(c4ccn[nH]4)CC3)co2)cc1 ZINC000058251506 201141689 /nfs/dbraw/zinc/14/16/89/201141689.db2.gz PUGZLEUJJNRUFE-UHFFFAOYSA-N 1 2 342.830 4.098 50 0 EIAALO Cc1ccc(CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1 ZINC000002449915 201532390 /nfs/dbraw/zinc/53/23/90/201532390.db2.gz NFAGLFGAYQPTCL-UHFFFAOYSA-N 1 2 346.459 4.475 50 0 EIAALO Clc1ccc2[nH+]c(CSc3ccc4c(c3)OCCCO4)cn2c1 ZINC000005755375 201663333 /nfs/dbraw/zinc/66/33/33/201663333.db2.gz WTGUMIPQVOSBTJ-UHFFFAOYSA-N 1 2 346.839 4.441 50 0 EIAALO Cc1[nH+]c[nH]c1[C@@H]1CC(=O)Nc2cc3c(cc21)CCc1ccccc1N3 ZINC000065404337 202842986 /nfs/dbraw/zinc/84/29/86/202842986.db2.gz ANKPBXQZVUOSJF-MRXNPFEDSA-N 1 2 344.418 4.034 50 0 EIAALO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000069530583 203014205 /nfs/dbraw/zinc/01/42/05/203014205.db2.gz IQHXCCFDICJIGV-HNNXBMFYSA-N 1 2 343.471 4.109 50 0 EIAALO Cc1cccc([C@@H](Nc2nccc(-c3ccc(C)[nH+]c3C)n2)C2CC2)n1 ZINC000071589523 203099340 /nfs/dbraw/zinc/09/93/40/203099340.db2.gz YBRGNBLMMUWBJT-FQEVSTJZSA-N 1 2 345.450 4.422 50 0 EIAALO Cc1ccc(-c2ccnc(N[C@H](c3ncccc3C)C3CC3)n2)c(C)[nH+]1 ZINC000071749562 203106849 /nfs/dbraw/zinc/10/68/49/203106849.db2.gz YUJIYGUQYYBNDT-FQEVSTJZSA-N 1 2 345.450 4.422 50 0 EIAALO COc1cc2c(cc1-c1[nH+]ccn1[C@@H](C)c1nc(C)cs1)CCC2 ZINC000071763402 203109912 /nfs/dbraw/zinc/10/99/12/203109912.db2.gz FQSQTHGJFKKOJM-ZDUSSCGKSA-N 1 2 339.464 4.422 50 0 EIAALO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1scnc1Cl ZINC000071899783 203142659 /nfs/dbraw/zinc/14/26/59/203142659.db2.gz WYEVCDNWAUCSFM-UHFFFAOYSA-N 1 2 331.784 4.236 50 0 EIAALO c1csc(-c2nnc(C[N@@H+]3CCS[C@H](c4ccccc4)C3)o2)c1 ZINC000071910891 203147176 /nfs/dbraw/zinc/14/71/76/203147176.db2.gz VNQDROADFGYWLF-HNNXBMFYSA-N 1 2 343.477 4.088 50 0 EIAALO c1csc(-c2nnc(C[N@H+]3CCS[C@H](c4ccccc4)C3)o2)c1 ZINC000071910891 203147180 /nfs/dbraw/zinc/14/71/80/203147180.db2.gz VNQDROADFGYWLF-HNNXBMFYSA-N 1 2 343.477 4.088 50 0 EIAALO CCc1c[nH+]ccc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000072283523 203191554 /nfs/dbraw/zinc/19/15/54/203191554.db2.gz NSDLXWPBZMXLKQ-UHFFFAOYSA-N 1 2 349.390 4.050 50 0 EIAALO Cc1nc([C@@H](C)[N@H+](C)Cc2cc(-c3ccccn3)no2)c(C)s1 ZINC000077298793 203378259 /nfs/dbraw/zinc/37/82/59/203378259.db2.gz GSXJYKGZBNNPRL-LLVKDONJSA-N 1 2 328.441 4.003 50 0 EIAALO Cc1nc([C@@H](C)[N@@H+](C)Cc2cc(-c3ccccn3)no2)c(C)s1 ZINC000077298793 203378264 /nfs/dbraw/zinc/37/82/64/203378264.db2.gz GSXJYKGZBNNPRL-LLVKDONJSA-N 1 2 328.441 4.003 50 0 EIAALO CCc1ccc2nc(C)cc(C(=O)N[C@@H](CC)c3[nH]cc(C)[nH+]3)c2c1 ZINC000077504981 203392513 /nfs/dbraw/zinc/39/25/13/203392513.db2.gz IBXOLEANPQJQQK-KRWDZBQOSA-N 1 2 336.439 4.018 50 0 EIAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NCc1cccnc1 ZINC000000071935 205399270 /nfs/dbraw/zinc/39/92/70/205399270.db2.gz PCNYOHVLCHQBRK-UHFFFAOYSA-N 1 2 335.407 4.035 50 0 EIAALO CC[C@H]1C[N@H+](Cc2ccc(COC)o2)Cc2ccc(Cl)cc2O1 ZINC000299782289 258090684 /nfs/dbraw/zinc/09/06/84/258090684.db2.gz VOWJXGJHBAVFAI-HNNXBMFYSA-N 1 2 335.831 4.253 50 0 EIAALO CC[C@H]1C[N@@H+](Cc2ccc(COC)o2)Cc2ccc(Cl)cc2O1 ZINC000299782289 258090685 /nfs/dbraw/zinc/09/06/85/258090685.db2.gz VOWJXGJHBAVFAI-HNNXBMFYSA-N 1 2 335.831 4.253 50 0 EIAALO Fc1ccccc1N1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000055543017 132195550 /nfs/dbraw/zinc/19/55/50/132195550.db2.gz RXUDBUGURFJWHV-UHFFFAOYSA-N 1 2 339.241 4.455 50 0 EIAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(F)c(Cl)c3)C(=O)[C@H]2C)c1 ZINC000037521622 132394995 /nfs/dbraw/zinc/39/49/95/132394995.db2.gz FQKVLIVPUXSOBQ-CQSZACIVSA-N 1 2 346.833 4.025 50 0 EIAALO Cc1cccc(C[N@H+]2CCN(c3ccc(F)c(Cl)c3)C(=O)[C@H]2C)c1 ZINC000037521622 132394996 /nfs/dbraw/zinc/39/49/96/132394996.db2.gz FQKVLIVPUXSOBQ-CQSZACIVSA-N 1 2 346.833 4.025 50 0 EIAALO CCc1cc([C@@H]2CCC[N@H+]2Cc2cccc(Br)c2)on1 ZINC000064666954 563957048 /nfs/dbraw/zinc/95/70/48/563957048.db2.gz PQAROTRMMNJTNR-HNNXBMFYSA-N 1 2 335.245 4.337 50 0 EIAALO Fc1ccc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000000154615 563247410 /nfs/dbraw/zinc/24/74/10/563247410.db2.gz ZKXINDRBTNUXPA-UHFFFAOYSA-N 1 2 336.395 4.247 50 0 EIAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccccc1C(C)(C)C ZINC000012629652 563666110 /nfs/dbraw/zinc/66/61/10/563666110.db2.gz LAAJXTOEXHXNLW-INIZCTEOSA-N 1 2 338.451 4.082 50 0 EIAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012796227 563672727 /nfs/dbraw/zinc/67/27/27/563672727.db2.gz CJJYOEBSCZXWCV-LBPRGKRZSA-N 1 2 349.887 4.281 50 0 EIAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012796227 563672730 /nfs/dbraw/zinc/67/27/30/563672730.db2.gz CJJYOEBSCZXWCV-LBPRGKRZSA-N 1 2 349.887 4.281 50 0 EIAALO C[N@H+](CC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1Cl ZINC000013040456 563686036 /nfs/dbraw/zinc/68/60/36/563686036.db2.gz MFENUOABXVUFCW-UHFFFAOYSA-N 1 2 341.213 4.203 50 0 EIAALO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1Cl ZINC000013040456 563686038 /nfs/dbraw/zinc/68/60/38/563686038.db2.gz MFENUOABXVUFCW-UHFFFAOYSA-N 1 2 341.213 4.203 50 0 EIAALO C[C@@H]1C[N@H+]([C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)C[C@H](C)O1 ZINC000013071076 563687331 /nfs/dbraw/zinc/68/73/31/563687331.db2.gz MDZVDOLYUVELRM-MRUHUIDDSA-N 1 2 348.446 4.201 50 0 EIAALO C[C@@H]1C[N@@H+]([C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)C[C@H](C)O1 ZINC000013071076 563687334 /nfs/dbraw/zinc/68/73/34/563687334.db2.gz MDZVDOLYUVELRM-MRUHUIDDSA-N 1 2 348.446 4.201 50 0 EIAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 ZINC000014169343 563746588 /nfs/dbraw/zinc/74/65/88/563746588.db2.gz CZPKQOFBIYHQNA-UHFFFAOYSA-N 1 2 349.459 4.050 50 0 EIAALO 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/nfs/dbraw/zinc/14/10/84/564141084.db2.gz HZQCZZOHXQRYDB-CQSZACIVSA-N 1 2 341.484 4.263 50 0 EIAALO CC(C)(C)c1cc(N2CCC[C@H]2c2[nH]cc[nH+]2)nc(C(C)(C)C)n1 ZINC000095467583 564141128 /nfs/dbraw/zinc/14/11/28/564141128.db2.gz KKJAQIDHHCQNGD-ZDUSSCGKSA-N 1 2 327.476 4.136 50 0 EIAALO CC(C)Cn1ncnc1C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000095995292 564144233 /nfs/dbraw/zinc/14/42/33/564144233.db2.gz BHLQRZVOBYWLDZ-OAQYLSRUSA-N 1 2 346.478 4.082 50 0 EIAALO CC(C)Cn1ncnc1C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000095995292 564144234 /nfs/dbraw/zinc/14/42/34/564144234.db2.gz BHLQRZVOBYWLDZ-OAQYLSRUSA-N 1 2 346.478 4.082 50 0 EIAALO COc1cc(C[N@@H+]2CCC=C(F)C2)c(-c2ccccc2)cc1OC ZINC000096003656 564144449 /nfs/dbraw/zinc/14/44/49/564144449.db2.gz XVCBLRVVLFOIBI-UHFFFAOYSA-N 1 2 327.399 4.430 50 0 EIAALO COc1cc(C[N@H+]2CCC=C(F)C2)c(-c2ccccc2)cc1OC ZINC000096003656 564144450 /nfs/dbraw/zinc/14/44/50/564144450.db2.gz XVCBLRVVLFOIBI-UHFFFAOYSA-N 1 2 327.399 4.430 50 0 EIAALO COCC[C@H]([NH2+]Cc1nc(C)c(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000284785620 564149319 /nfs/dbraw/zinc/14/93/19/564149319.db2.gz NPLBQEWCTLMTCY-HNNXBMFYSA-N 1 2 343.254 4.466 50 0 EIAALO COC(=O)c1cc(Nc2ccc([NH+](C)C)cc2)c2cccc(C)c2n1 ZINC000056986969 564153181 /nfs/dbraw/zinc/15/31/81/564153181.db2.gz BKMNHWWFZHHZBT-UHFFFAOYSA-N 1 2 335.407 4.139 50 0 EIAALO Cc1ccccc1NC(=O)[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000057234761 564153435 /nfs/dbraw/zinc/15/34/35/564153435.db2.gz WIUCUUCKSXFMEV-SFHVURJKSA-N 1 2 328.843 4.424 50 0 EIAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)NC1CCCCC1 ZINC000008165461 564163262 /nfs/dbraw/zinc/16/32/62/564163262.db2.gz SYRBOWOXSXGXIV-UHFFFAOYSA-N 1 2 326.444 4.217 50 0 EIAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccccc1)N1CCCC1 ZINC000067288196 564165558 /nfs/dbraw/zinc/16/55/58/564165558.db2.gz XHOCHONZTXNLGL-UHFFFAOYSA-N 1 2 349.409 4.222 50 0 EIAALO Cc1ccc(-c2nnc(SCc3cn4cc(C)ccc4[nH+]3)n2C)cc1 ZINC000008706445 564166505 /nfs/dbraw/zinc/16/65/05/564166505.db2.gz SXCOFJLECNKDCG-UHFFFAOYSA-N 1 2 349.463 4.039 50 0 EIAALO C[C@@H]1CCCC[N@@H+]1Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000008747849 564167238 /nfs/dbraw/zinc/16/72/38/564167238.db2.gz MGMIYLSZUGFUKH-LLVKDONJSA-N 1 2 345.493 4.088 50 0 EIAALO C[C@@H]1CCCC[N@H+]1Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000008747849 564167239 /nfs/dbraw/zinc/16/72/39/564167239.db2.gz MGMIYLSZUGFUKH-LLVKDONJSA-N 1 2 345.493 4.088 50 0 EIAALO CCCc1cc(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)sc1C ZINC000040118601 564168151 /nfs/dbraw/zinc/16/81/51/564168151.db2.gz NYTCVUBBBQQLPO-UHFFFAOYSA-N 1 2 345.512 4.180 50 0 EIAALO CC(C)[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1[nH+]ccn1C ZINC000040114428 564168169 /nfs/dbraw/zinc/16/81/69/564168169.db2.gz XBKAQVVHCJKUIH-QGZVFWFLSA-N 1 2 345.512 4.268 50 0 EIAALO c1ccc(CNc2nc(NCc3ccccn3)[nH+]c3ccccc32)cc1 ZINC000041151162 564173545 /nfs/dbraw/zinc/17/35/45/564173545.db2.gz UWSYBXHUCKMVIS-UHFFFAOYSA-N 1 2 341.418 4.249 50 0 EIAALO C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009914213 564174828 /nfs/dbraw/zinc/17/48/28/564174828.db2.gz LHWVLCBYPNXAKK-GFCCVEGCSA-N 1 2 343.789 4.156 50 0 EIAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000581807197 1021877806 /nfs/dbraw/zinc/87/78/06/1021877806.db2.gz KNYUBDDXDRKFSH-KRWDZBQOSA-N 1 2 349.434 4.004 50 0 EIAALO CC(C)c1nsc(NC[C@@H](c2ccc(Cl)cc2)n2cc[nH+]c2)n1 ZINC000888094915 1025952428 /nfs/dbraw/zinc/95/24/28/1025952428.db2.gz GZQDBEQDDJHLMB-AWEZNQCLSA-N 1 2 347.875 4.213 50 0 EIAALO CCOc1cccc(NC(=O)N2CCCC[C@H]2c2c[nH+]cn2CC)c1 ZINC000952995013 1049690656 /nfs/dbraw/zinc/69/06/56/1049690656.db2.gz AGQUZCJEMJQRPF-KRWDZBQOSA-N 1 2 342.443 4.061 50 0 EIAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000581808164 1060019427 /nfs/dbraw/zinc/01/94/27/1060019427.db2.gz QUWYZOQDZKZGGU-LJQANCHMSA-N 1 2 346.434 4.337 50 0 EIAALO COc1cc2ccccc2cc1C(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000009913008 201789787 /nfs/dbraw/zinc/78/97/87/201789787.db2.gz ABFQVQXJKAFSQF-UHFFFAOYSA-N 1 2 346.386 4.162 50 0 EIAALO Cc1oc(-c2cccc(C)c2)nc1CN(Cc1[nH+]ccn1C)C(C)C ZINC000019223889 202000982 /nfs/dbraw/zinc/00/09/82/202000982.db2.gz MBSCDKLFWXMJRH-UHFFFAOYSA-N 1 2 338.455 4.103 50 0 EIAALO Clc1cccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000019832115 202022748 /nfs/dbraw/zinc/02/27/48/202022748.db2.gz TUXMWVHAGDOEHK-UHFFFAOYSA-N 1 2 335.278 4.311 50 0 EIAALO CC(C)Cn1c2ccccc2n(CCCOc2ccc(F)cc2)c1=[NH2+] ZINC000020069502 202032097 /nfs/dbraw/zinc/03/20/97/202032097.db2.gz WKTCASZKLBRGLN-UHFFFAOYSA-N 1 2 341.430 4.186 50 0 EIAALO CCCCCNc1nc(SC)nc2sc3c(c21)CC[N@@H+](C)C3 ZINC000020436636 202042241 /nfs/dbraw/zinc/04/22/41/202042241.db2.gz DKXNFDAPSVEJDG-UHFFFAOYSA-N 1 2 336.530 4.003 50 0 EIAALO CCCCCNc1nc(SC)nc2sc3c(c21)CC[N@H+](C)C3 ZINC000020436636 202042245 /nfs/dbraw/zinc/04/22/45/202042245.db2.gz DKXNFDAPSVEJDG-UHFFFAOYSA-N 1 2 336.530 4.003 50 0 EIAALO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022875465 202093477 /nfs/dbraw/zinc/09/34/77/202093477.db2.gz SXCSBRHTHVJIAG-RMKNXTFCSA-N 1 2 349.503 4.127 50 0 EIAALO O=C(c1c[nH]c2ccccc21)[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000023873195 202109526 /nfs/dbraw/zinc/10/95/26/202109526.db2.gz FUZMQOKOFRJFEQ-FQEVSTJZSA-N 1 2 330.387 4.475 50 0 EIAALO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1C ZINC000029534490 202188587 /nfs/dbraw/zinc/18/85/87/202188587.db2.gz FUGUQYUMZOEHFL-NRFANRHFSA-N 1 2 337.463 4.388 50 0 EIAALO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1C ZINC000029534490 202188592 /nfs/dbraw/zinc/18/85/92/202188592.db2.gz FUGUQYUMZOEHFL-NRFANRHFSA-N 1 2 337.463 4.388 50 0 EIAALO Cc1ccc2[nH+]c(COC(=O)c3cc4c(s3)CC[C@H](C)C4)cn2c1 ZINC000032829929 202237794 /nfs/dbraw/zinc/23/77/94/202237794.db2.gz ICQLILBKEXORHS-LBPRGKRZSA-N 1 2 340.448 4.186 50 0 EIAALO Cc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000032912982 202241439 /nfs/dbraw/zinc/24/14/39/202241439.db2.gz WYCIUEYBYRSOIT-UHFFFAOYSA-N 1 2 325.799 4.146 50 0 EIAALO C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000032916347 202241608 /nfs/dbraw/zinc/24/16/08/202241608.db2.gz BQEIUYPGZJQNJF-MRXNPFEDSA-N 1 2 349.482 4.153 50 0 EIAALO C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000032916347 202241612 /nfs/dbraw/zinc/24/16/12/202241612.db2.gz BQEIUYPGZJQNJF-MRXNPFEDSA-N 1 2 349.482 4.153 50 0 EIAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[NH+]1CCSCC1 ZINC000055108097 202679318 /nfs/dbraw/zinc/67/93/18/202679318.db2.gz OEQIMLYFYXJRFY-UHFFFAOYSA-N 1 2 342.386 4.218 50 0 EIAALO C[C@H](c1ccon1)[N@H+](C)Cc1ccc(-c2nc3ccccc3n2C)o1 ZINC000215298119 241117772 /nfs/dbraw/zinc/11/77/72/241117772.db2.gz SACBPZJKWCYLIK-CYBMUJFWSA-N 1 2 336.395 4.014 50 0 EIAALO C[C@H](c1ccon1)[N@@H+](C)Cc1ccc(-c2nc3ccccc3n2C)o1 ZINC000215298119 241117775 /nfs/dbraw/zinc/11/77/75/241117775.db2.gz SACBPZJKWCYLIK-CYBMUJFWSA-N 1 2 336.395 4.014 50 0 EIAALO c1csc([C@@H]2CCCCN2Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000244601963 243044543 /nfs/dbraw/zinc/04/45/43/243044543.db2.gz DVCVOBNJMJNAGA-SFHVURJKSA-N 1 2 338.480 4.115 50 0 EIAALO Cc1nc(C[NH2+]C2(c3cccc(Br)c3)CCC2)oc1C ZINC000069593528 203024490 /nfs/dbraw/zinc/02/44/90/203024490.db2.gz KNZRHVLXSMGQET-UHFFFAOYSA-N 1 2 335.245 4.223 50 0 EIAALO c1cn(Cc2csc(Cc3ccccc3)n2)c(-c2cccnc2)[nH+]1 ZINC000071760199 203108882 /nfs/dbraw/zinc/10/88/82/203108882.db2.gz WYNXLWLFJSABRV-UHFFFAOYSA-N 1 2 332.432 4.041 50 0 EIAALO Cc1ccnc([C@H](Nc2nccc(-c3ccc(C)[nH+]c3C)n2)C2CC2)c1 ZINC000071759682 203109271 /nfs/dbraw/zinc/10/92/71/203109271.db2.gz ICQREOXKRUJJEH-HXUWFJFHSA-N 1 2 345.450 4.422 50 0 EIAALO CC(C)c1noc([C@H](C)n2cc[nH+]c2-c2ccnc3ccccc32)n1 ZINC000072174566 203182402 /nfs/dbraw/zinc/18/24/02/203182402.db2.gz JAQLOMRYIDXXTR-ZDUSSCGKSA-N 1 2 333.395 4.214 50 0 EIAALO Cc1[nH+]c[nH]c1CSCCn1ccnc1-c1ccnc2ccccc21 ZINC000072430543 203223344 /nfs/dbraw/zinc/22/33/44/203223344.db2.gz FTNBFIOWMVQHAH-UHFFFAOYSA-N 1 2 349.463 4.063 50 0 EIAALO O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075555956 203318212 /nfs/dbraw/zinc/31/82/12/203318212.db2.gz XWIATFINYPKAGL-QGZVFWFLSA-N 1 2 347.418 4.222 50 0 EIAALO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1nc(C(C)C)no1)CCC2 ZINC000077322006 203380266 /nfs/dbraw/zinc/38/02/66/203380266.db2.gz AQGRQZSUNRNEID-QGZVFWFLSA-N 1 2 341.455 4.027 50 0 EIAALO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1nc(C(C)C)no1)CCC2 ZINC000077322006 203380269 /nfs/dbraw/zinc/38/02/69/203380269.db2.gz AQGRQZSUNRNEID-QGZVFWFLSA-N 1 2 341.455 4.027 50 0 EIAALO Cc1csc(CCCn2cc[nH+]c2-c2cccc3ncccc32)n1 ZINC000077536229 203393481 /nfs/dbraw/zinc/39/34/81/203393481.db2.gz NVLUKOCHGOHMPP-UHFFFAOYSA-N 1 2 334.448 4.496 50 0 EIAALO C[C@@H]1C[NH+]=C(N(Cc2ccccc2)C(=S)Nc2ccccc2)S1 ZINC000000497770 206236940 /nfs/dbraw/zinc/23/69/40/206236940.db2.gz SVFGJAXABSDAJX-CQSZACIVSA-N 1 2 341.505 4.377 50 0 EIAALO Cc1ccccc1Cc1nnc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)o1 ZINC000095415695 218354397 /nfs/dbraw/zinc/35/43/97/218354397.db2.gz SSXCETGLYPEIHZ-IBGZPJMESA-N 1 2 349.434 4.012 50 0 EIAALO Cc1ccccc1Cc1nnc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)o1 ZINC000095415695 218354400 /nfs/dbraw/zinc/35/44/00/218354400.db2.gz SSXCETGLYPEIHZ-IBGZPJMESA-N 1 2 349.434 4.012 50 0 EIAALO CCOC(=O)c1c[nH+]c2c(C)cccc2c1NCCc1ccccc1 ZINC000000097649 258047445 /nfs/dbraw/zinc/04/74/45/258047445.db2.gz PEGVBWFXTSLDNL-UHFFFAOYSA-N 1 2 334.419 4.375 50 0 EIAALO Cn1c2ccc(CNC(=O)c3ccc(Cl)s3)cc2[nH+]c1C1CC1 ZINC000328590150 258044100 /nfs/dbraw/zinc/04/41/00/258044100.db2.gz VNQCRSKAYWFBKT-UHFFFAOYSA-N 1 2 345.855 4.096 50 0 EIAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2C)c1 ZINC000037521621 132395106 /nfs/dbraw/zinc/39/51/06/132395106.db2.gz FQKVLIVPUXSOBQ-AWEZNQCLSA-N 1 2 346.833 4.025 50 0 EIAALO Cc1cccc(C[N@H+]2CCN(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2C)c1 ZINC000037521621 132395107 /nfs/dbraw/zinc/39/51/07/132395107.db2.gz FQKVLIVPUXSOBQ-AWEZNQCLSA-N 1 2 346.833 4.025 50 0 EIAALO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000012316650 563658009 /nfs/dbraw/zinc/65/80/09/563658009.db2.gz PVIMQTAJSVHBKH-FQEVSTJZSA-N 1 2 345.446 4.172 50 0 EIAALO 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/nfs/dbraw/zinc/87/85/03/1021878503.db2.gz KNYUBDDXDRKFSH-QGZVFWFLSA-N 1 2 349.434 4.004 50 0 EIAALO C[N@H+](Cn1[nH]c(/C=C/c2ccccc2)nc1=S)C1CCCCC1 ZINC000014188869 1022819550 /nfs/dbraw/zinc/81/95/50/1022819550.db2.gz ZSFDJQUCSSZTGJ-OUKQBFOZSA-N 1 2 328.485 4.333 50 0 EIAALO C[N@@H+](Cn1[nH]c(/C=C/c2ccccc2)nc1=S)C1CCCCC1 ZINC000014188869 1022819555 /nfs/dbraw/zinc/81/95/55/1022819555.db2.gz ZSFDJQUCSSZTGJ-OUKQBFOZSA-N 1 2 328.485 4.333 50 0 EIAALO CC1(C)C[N@H+](Cc2cnc([C@H]3CCCO3)s2)Cc2ccccc2O1 ZINC000290156828 1023200848 /nfs/dbraw/zinc/20/08/48/1023200848.db2.gz LMSLNAYJSPBTBN-QGZVFWFLSA-N 1 2 344.480 4.168 50 0 EIAALO CC1(C)C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)Cc2ccccc2O1 ZINC000290156828 1023200859 /nfs/dbraw/zinc/20/08/59/1023200859.db2.gz LMSLNAYJSPBTBN-QGZVFWFLSA-N 1 2 344.480 4.168 50 0 EIAALO Fc1ccc([C@H]2C[N@H+](Cc3cccc4cnccc43)CCO2)c(F)c1 ZINC000190131610 1023459971 /nfs/dbraw/zinc/45/99/71/1023459971.db2.gz SJTBHJGSSHKHQP-HXUWFJFHSA-N 1 2 340.373 4.087 50 0 EIAALO Fc1ccc([C@H]2C[N@@H+](Cc3cccc4cnccc43)CCO2)c(F)c1 ZINC000190131610 1023459976 /nfs/dbraw/zinc/45/99/76/1023459976.db2.gz SJTBHJGSSHKHQP-HXUWFJFHSA-N 1 2 340.373 4.087 50 0 EIAALO CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000254669986 1042814038 /nfs/dbraw/zinc/81/40/38/1042814038.db2.gz NFBIFNIKDRJEED-UHFFFAOYSA-N 1 2 345.328 4.122 50 0 EIAALO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000580713799 1059734747 /nfs/dbraw/zinc/73/47/47/1059734747.db2.gz LEGXPEDDFZYEBX-JTQLQIEISA-N 1 2 340.652 4.052 50 0 EIAALO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000580713800 1059735598 /nfs/dbraw/zinc/73/55/98/1059735598.db2.gz LEGXPEDDFZYEBX-SNVBAGLBSA-N 1 2 340.652 4.052 50 0 EIAALO CC[C@@H]1CCCC[N@@H+]1Cn1nc2c(Cl)cc(Cl)cn2c1=S ZINC000003369211 210019980 /nfs/dbraw/zinc/01/99/80/210019980.db2.gz AOGZVYGQJQUGRR-LLVKDONJSA-N 1 2 345.299 4.394 50 0 EIAALO CC[C@@H]1CCCC[N@H+]1Cn1nc2c(Cl)cc(Cl)cn2c1=S ZINC000003369211 210019982 /nfs/dbraw/zinc/01/99/82/210019982.db2.gz AOGZVYGQJQUGRR-LLVKDONJSA-N 1 2 345.299 4.394 50 0 EIAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1cc(C)c(Cl)c(C)c1 ZINC000015860729 201966661 /nfs/dbraw/zinc/96/66/61/201966661.db2.gz UAIYXNYIRWVPNX-OAHLLOKOSA-N 1 2 344.842 4.055 50 0 EIAALO c1coc(C[NH+]2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000019359617 202005296 /nfs/dbraw/zinc/00/52/96/202005296.db2.gz SVCSFJCSRNXLHI-UHFFFAOYSA-N 1 2 348.446 4.390 50 0 EIAALO c1coc(CN2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000019359617 202005298 /nfs/dbraw/zinc/00/52/98/202005298.db2.gz SVCSFJCSRNXLHI-UHFFFAOYSA-N 1 2 348.446 4.390 50 0 EIAALO CCn1cc[nH+]c1CN(C)Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000019758672 202020049 /nfs/dbraw/zinc/02/00/49/202020049.db2.gz XRALQWUPEYJXLZ-UHFFFAOYSA-N 1 2 344.846 4.152 50 0 EIAALO CC1CC[NH+](Cc2nnc(SCc3ccc(Cl)cc3)o2)CC1 ZINC000019897551 202025315 /nfs/dbraw/zinc/02/53/15/202025315.db2.gz SAOORLCUAVCGJZ-UHFFFAOYSA-N 1 2 337.876 4.247 50 0 EIAALO Cc1cc(-c2cccc(-c3ccn(Cc4c[nH+]cn4C)n3)c2)cc(C)n1 ZINC000020538062 202047280 /nfs/dbraw/zinc/04/72/80/202047280.db2.gz HZMZEAHNVDTDIG-UHFFFAOYSA-N 1 2 343.434 4.011 50 0 EIAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCC)c(OC)c2)no1 ZINC000021720593 202069204 /nfs/dbraw/zinc/06/92/04/202069204.db2.gz SGRMVULVGGWCFG-GOSISDBHSA-N 1 2 344.455 4.372 50 0 EIAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OCC)c(OC)c2)no1 ZINC000021720593 202069206 /nfs/dbraw/zinc/06/92/06/202069206.db2.gz SGRMVULVGGWCFG-GOSISDBHSA-N 1 2 344.455 4.372 50 0 EIAALO CC[C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000021135239 202062048 /nfs/dbraw/zinc/06/20/48/202062048.db2.gz WXQHMMVZUHCRTI-KRWDZBQOSA-N 1 2 343.496 4.261 50 0 EIAALO Cc1cc(Cl)c(OCCCCn2cc[nH+]c2)c(Br)c1 ZINC000022310127 202083226 /nfs/dbraw/zinc/08/32/26/202083226.db2.gz CMIJOJVARSXIPV-UHFFFAOYSA-N 1 2 343.652 4.467 50 0 EIAALO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)ccc1OC(C)C ZINC000021720272 202070024 /nfs/dbraw/zinc/07/00/24/202070024.db2.gz XUJVHVGXTWTRAR-QGZVFWFLSA-N 1 2 330.428 4.116 50 0 EIAALO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)ccc1OC(C)C ZINC000021720272 202070027 /nfs/dbraw/zinc/07/00/27/202070027.db2.gz XUJVHVGXTWTRAR-QGZVFWFLSA-N 1 2 330.428 4.116 50 0 EIAALO c1cc([C@H]2CCCCO2)oc1C[N@@H+]1CCc2[nH]nc(C3CCC3)c2C1 ZINC000023158607 202099261 /nfs/dbraw/zinc/09/92/61/202099261.db2.gz QAOVLGTWRIMHRO-GOSISDBHSA-N 1 2 341.455 4.070 50 0 EIAALO c1cc([C@H]2CCCCO2)oc1C[N@H+]1CCc2[nH]nc(C3CCC3)c2C1 ZINC000023158607 202099265 /nfs/dbraw/zinc/09/92/65/202099265.db2.gz QAOVLGTWRIMHRO-GOSISDBHSA-N 1 2 341.455 4.070 50 0 EIAALO c1cc([C@H]2CCCCO2)oc1C[N@@H+]1CCc2n[nH]c(C3CCC3)c2C1 ZINC000023158607 202099269 /nfs/dbraw/zinc/09/92/69/202099269.db2.gz QAOVLGTWRIMHRO-GOSISDBHSA-N 1 2 341.455 4.070 50 0 EIAALO c1cc([C@H]2CCCCO2)oc1C[N@H+]1CCc2n[nH]c(C3CCC3)c2C1 ZINC000023158607 202099274 /nfs/dbraw/zinc/09/92/74/202099274.db2.gz QAOVLGTWRIMHRO-GOSISDBHSA-N 1 2 341.455 4.070 50 0 EIAALO Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1[nH]cc[nH+]1 ZINC000012305763 202112422 /nfs/dbraw/zinc/11/24/22/202112422.db2.gz TVQPCUOFOFCYBD-QFIPXVFZSA-N 1 2 342.446 4.347 50 0 EIAALO Cc1cc(C)cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000025056537 202126092 /nfs/dbraw/zinc/12/60/92/202126092.db2.gz DLBJHIHWLGFUJW-ZDUSSCGKSA-N 1 2 343.496 4.244 50 0 EIAALO Cc1cc(C)cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000025056537 202126095 /nfs/dbraw/zinc/12/60/95/202126095.db2.gz DLBJHIHWLGFUJW-ZDUSSCGKSA-N 1 2 343.496 4.244 50 0 EIAALO Cc1cccc(-c2noc(C[N@@H+]3CCc4sccc4[C@@H]3C)n2)c1 ZINC000029708024 202190158 /nfs/dbraw/zinc/19/01/58/202190158.db2.gz FFTLIXKNHYGWFV-ZDUSSCGKSA-N 1 2 325.437 4.226 50 0 EIAALO Cc1cccc(-c2noc(C[N@H+]3CCc4sccc4[C@@H]3C)n2)c1 ZINC000029708024 202190162 /nfs/dbraw/zinc/19/01/62/202190162.db2.gz FFTLIXKNHYGWFV-ZDUSSCGKSA-N 1 2 325.437 4.226 50 0 EIAALO CC(C)c1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000033286538 212916438 /nfs/dbraw/zinc/91/64/38/212916438.db2.gz GNKGGKOKTDQBMT-TWGQIWQCSA-N 1 2 348.490 4.281 50 0 EIAALO Cc1ccc(-c2nc(CN3CCc4c([nH+]cn4C4CC4)C3)co2)c(C)c1 ZINC000069491257 202284070 /nfs/dbraw/zinc/28/40/70/202284070.db2.gz UUCRGIPCRPLOPG-UHFFFAOYSA-N 1 2 348.450 4.048 50 0 EIAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2ncc(-c3ccc(Cl)cc3)o2)cn1 ZINC000069930141 202298195 /nfs/dbraw/zinc/29/81/95/202298195.db2.gz OYKQSMNEKAQKOW-MRXNPFEDSA-N 1 2 342.830 4.066 50 0 EIAALO Cn1cc([C@H]2CCC[N@H+]2Cc2ncc(-c3ccc(Cl)cc3)o2)cn1 ZINC000069930141 202298199 /nfs/dbraw/zinc/29/81/99/202298199.db2.gz OYKQSMNEKAQKOW-MRXNPFEDSA-N 1 2 342.830 4.066 50 0 EIAALO Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CCc4sccc4C3)o2)c1 ZINC000036692525 202329263 /nfs/dbraw/zinc/32/92/63/202329263.db2.gz CSVRVOQVRUFQDS-CYBMUJFWSA-N 1 2 325.437 4.226 50 0 EIAALO Cc1cccc(-c2nnc([C@@H](C)[N@H+]3CCc4sccc4C3)o2)c1 ZINC000036692525 202329266 /nfs/dbraw/zinc/32/92/66/202329266.db2.gz CSVRVOQVRUFQDS-CYBMUJFWSA-N 1 2 325.437 4.226 50 0 EIAALO CC(C)c1nc([C@@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)no1 ZINC000072279399 202361693 /nfs/dbraw/zinc/36/16/93/202361693.db2.gz NLLOAVDFVRDGIT-HNNXBMFYSA-N 1 2 340.427 4.104 50 0 EIAALO CC(C)c1nc([C@@H]2CCC[N@H+]2CCCc2nc3ccccc3o2)no1 ZINC000072279399 202361696 /nfs/dbraw/zinc/36/16/96/202361696.db2.gz NLLOAVDFVRDGIT-HNNXBMFYSA-N 1 2 340.427 4.104 50 0 EIAALO C[N@H+](Cc1ccc([C@H]2CCCCO2)s1)Cc1[nH]nc2c1CCCC2 ZINC000215362785 241123847 /nfs/dbraw/zinc/12/38/47/241123847.db2.gz WCKHCQTZFZZWNV-GOSISDBHSA-N 1 2 345.512 4.224 50 0 EIAALO C[N@@H+](Cc1ccc([C@H]2CCCCO2)s1)Cc1[nH]nc2c1CCCC2 ZINC000215362785 241123851 /nfs/dbraw/zinc/12/38/51/241123851.db2.gz WCKHCQTZFZZWNV-GOSISDBHSA-N 1 2 345.512 4.224 50 0 EIAALO COc1ccccc1-c1noc(C[NH2+][C@H](C)c2ccc(Cl)cc2)n1 ZINC000069563156 203019413 /nfs/dbraw/zinc/01/94/13/203019413.db2.gz BTRDRSVZQFNKGK-GFCCVEGCSA-N 1 2 343.814 4.249 50 0 EIAALO CC[C@@H](Nc1nccc(-c2ccc(C)[nH+]c2C)n1)c1cc(C)ccn1 ZINC000071388553 203094167 /nfs/dbraw/zinc/09/41/67/203094167.db2.gz DOSHCTSNLSJNEF-QGZVFWFLSA-N 1 2 333.439 4.422 50 0 EIAALO CCc1nc(C)sc1C[N@@H+]1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072161659 203175722 /nfs/dbraw/zinc/17/57/22/203175722.db2.gz NNKGRGXFQRNOMG-MRXNPFEDSA-N 1 2 344.459 4.366 50 0 EIAALO CCc1nc(C)sc1C[N@H+]1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072161659 203175728 /nfs/dbraw/zinc/17/57/28/203175728.db2.gz NNKGRGXFQRNOMG-MRXNPFEDSA-N 1 2 344.459 4.366 50 0 EIAALO CC(C)c1[nH]cc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)[nH+]1 ZINC000072164700 203178321 /nfs/dbraw/zinc/17/83/21/203178321.db2.gz WQXNXDIHPBZJNE-UHFFFAOYSA-N 1 2 332.411 4.084 50 0 EIAALO CC(=O)Nc1ccc(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c(Cl)c1 ZINC000129607558 205203930 /nfs/dbraw/zinc/20/39/30/205203930.db2.gz JXCXTXRXADCZNR-QGZVFWFLSA-N 1 2 340.814 4.223 50 0 EIAALO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010093983 211146883 /nfs/dbraw/zinc/14/68/83/211146883.db2.gz OCANSTJKSOQSKY-YJBOKZPZSA-N 1 2 342.508 4.152 50 0 EIAALO CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010093983 211146886 /nfs/dbraw/zinc/14/68/86/211146886.db2.gz OCANSTJKSOQSKY-YJBOKZPZSA-N 1 2 342.508 4.152 50 0 EIAALO CCC[C@H](NC(=O)Nc1ccc2oc(C)cc2c1)c1[nH+]ccn1C ZINC000299768465 258082996 /nfs/dbraw/zinc/08/29/96/258082996.db2.gz OUDQQHNHPRUFRB-HNNXBMFYSA-N 1 2 326.400 4.138 50 0 EIAALO Cc1cccc(C[N@H+]2CCN(c3ccc(C(C)C)cc3)C(=O)[C@@H]2C)c1 ZINC000037275548 132393348 /nfs/dbraw/zinc/39/33/48/132393348.db2.gz QGFBKNCAUHVXPG-SFHVURJKSA-N 1 2 336.479 4.356 50 0 EIAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(C(C)C)cc3)C(=O)[C@@H]2C)c1 ZINC000037275548 132393349 /nfs/dbraw/zinc/39/33/49/132393349.db2.gz QGFBKNCAUHVXPG-SFHVURJKSA-N 1 2 336.479 4.356 50 0 EIAALO CCOc1ccc(Nc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1 ZINC000001822878 563413745 /nfs/dbraw/zinc/41/37/45/563413745.db2.gz UGBBSFFHIRXSLS-UHFFFAOYSA-N 1 2 345.406 4.017 50 0 EIAALO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(Cl)c23)C1 ZINC000003887553 563490556 /nfs/dbraw/zinc/49/05/56/563490556.db2.gz IMEWTDBWEQQPEJ-NSHDSACASA-N 1 2 335.904 4.455 50 0 EIAALO CCc1[nH+]ccn1-c1cc(C)nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000005343065 563527659 /nfs/dbraw/zinc/52/76/59/563527659.db2.gz BITSVDBNHQNEBQ-UHFFFAOYSA-N 1 2 337.814 4.106 50 0 EIAALO Cc1c[nH]c(CN(C)C(=O)C[C@H](c2ccccc2)c2ccccc2C)[nH+]1 ZINC000012446163 563661251 /nfs/dbraw/zinc/66/12/51/563661251.db2.gz AJIRRWDLUUCTKI-HXUWFJFHSA-N 1 2 347.462 4.207 50 0 EIAALO O=C1c2ccccc2[C@@H]([NH2+]Cc2cccs2)N1C1CCCCC1 ZINC000013940219 563731694 /nfs/dbraw/zinc/73/16/94/563731694.db2.gz AUPLZBORWJEQIZ-SFHVURJKSA-N 1 2 326.465 4.325 50 0 EIAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1cc(C)cc(C)c1 ZINC000015860743 563797416 /nfs/dbraw/zinc/79/74/16/563797416.db2.gz MHXZJFNBLDKNHJ-KRWDZBQOSA-N 1 2 338.451 4.046 50 0 EIAALO Clc1ccc(OCCCCn2cc[nH+]c2)c(Br)c1 ZINC000016193056 563805646 /nfs/dbraw/zinc/80/56/46/563805646.db2.gz ZLRKVOSYYQFLFU-UHFFFAOYSA-N 1 2 329.625 4.158 50 0 EIAALO Cc1ccc(C(C)(C)C[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000022077788 563918415 /nfs/dbraw/zinc/91/84/15/563918415.db2.gz IEHBINBFDIKIOP-GOSISDBHSA-N 1 2 340.511 4.462 50 0 EIAALO Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3[nH+]ccn3C)c(C)o2)o1 ZINC000055270943 563934298 /nfs/dbraw/zinc/93/42/98/563934298.db2.gz GJIPFWVVTYOTTI-MRXNPFEDSA-N 1 2 340.427 4.012 50 0 EIAALO COc1ccccc1C[N@H+](C/C=C/c1ccco1)Cc1cccnc1 ZINC000055393138 563934746 /nfs/dbraw/zinc/93/47/46/563934746.db2.gz QWGNORCJAIUKJD-WEVVVXLNSA-N 1 2 334.419 4.399 50 0 EIAALO COc1ccccc1C[N@@H+](C/C=C/c1ccco1)Cc1cccnc1 ZINC000055393138 563934748 /nfs/dbraw/zinc/93/47/48/563934748.db2.gz QWGNORCJAIUKJD-WEVVVXLNSA-N 1 2 334.419 4.399 50 0 EIAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc2c1CCCC2 ZINC000058061574 563937091 /nfs/dbraw/zinc/93/70/91/563937091.db2.gz DTUFCDASCMGTLO-UHFFFAOYSA-N 1 2 346.434 4.073 50 0 EIAALO CCCCc1ccc(-n2cc(C[N@H+](C)[C@@H](C)c3ccncn3)cn2)cc1 ZINC000063868306 563956294 /nfs/dbraw/zinc/95/62/94/563956294.db2.gz GMSZETFDODLFNP-KRWDZBQOSA-N 1 2 349.482 4.198 50 0 EIAALO CCCCc1ccc(-n2cc(C[N@@H+](C)[C@@H](C)c3ccncn3)cn2)cc1 ZINC000063868306 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IZVBGHRKXMCXJC-GOSISDBHSA-N 1 2 336.479 4.356 50 0 EIAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc(C(C)C)cc2)C(=O)[C@H]1C ZINC000037521800 132396138 /nfs/dbraw/zinc/39/61/38/132396138.db2.gz IZVBGHRKXMCXJC-GOSISDBHSA-N 1 2 336.479 4.356 50 0 EIAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc([C@H]2C=CCC2)cc1 ZINC000000253572 563267203 /nfs/dbraw/zinc/26/72/03/563267203.db2.gz PHVULJJAKOZNEN-PKOBYXMFSA-N 1 2 348.446 4.218 50 0 EIAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc([C@@H]2C=CCC2)cc1 ZINC000000253538 563267265 /nfs/dbraw/zinc/26/72/65/563267265.db2.gz PHVULJJAKOZNEN-IEBWSBKVSA-N 1 2 348.446 4.218 50 0 EIAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000000303447 563276706 /nfs/dbraw/zinc/27/67/06/563276706.db2.gz FMZRGVFDEOGNEU-QGZVFWFLSA-N 1 2 338.451 4.082 50 0 EIAALO Cc1cc(Cl)cc(Br)c1OCCCn1cc[nH+]c1 ZINC000004841384 563512851 /nfs/dbraw/zinc/51/28/51/563512851.db2.gz YIBNIEFMCMBLRQ-UHFFFAOYSA-N 1 2 329.625 4.077 50 0 EIAALO C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000006700480 563579459 /nfs/dbraw/zinc/57/94/59/563579459.db2.gz YGCOQMNWZSFBPX-SNVBAGLBSA-N 1 2 334.769 4.029 50 0 EIAALO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000006700480 563579461 /nfs/dbraw/zinc/57/94/61/563579461.db2.gz YGCOQMNWZSFBPX-SNVBAGLBSA-N 1 2 334.769 4.029 50 0 EIAALO C[N@H+](Cc1cc[nH]n1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012303017 563657230 /nfs/dbraw/zinc/65/72/30/563657230.db2.gz WWSAWBXOANPXIH-UHFFFAOYSA-N 1 2 343.434 4.099 50 0 EIAALO C[N@@H+](Cc1cc[nH]n1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012303017 563657231 /nfs/dbraw/zinc/65/72/31/563657231.db2.gz WWSAWBXOANPXIH-UHFFFAOYSA-N 1 2 343.434 4.099 50 0 EIAALO CCn1cc[nH+]c1CNC(=O)C[C@H](c1ccccc1)c1ccccc1C ZINC000012316708 563658144 /nfs/dbraw/zinc/65/81/44/563658144.db2.gz DCUKYUAMQHXSIV-HXUWFJFHSA-N 1 2 347.462 4.050 50 0 EIAALO C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1[NH2+]Cc1ccco1 ZINC000013943807 563732077 /nfs/dbraw/zinc/73/20/77/563732077.db2.gz DKJYZTVZGIUPOS-MGPUTAFESA-N 1 2 336.435 4.169 50 0 EIAALO Cc1ccc(Nc2nn(C[NH+]3CCCC3)c(=S)s2)cc1Cl ZINC000014184726 563748131 /nfs/dbraw/zinc/74/81/31/563748131.db2.gz MBIAWAYBTIQQHD-UHFFFAOYSA-N 1 2 340.905 4.433 50 0 EIAALO CCn1cnn(C[N@H+](C)C(c2ccccc2)c2ccccc2)c1=S ZINC000014198067 563749793 /nfs/dbraw/zinc/74/97/93/563749793.db2.gz MNMLRQSGMOMULR-UHFFFAOYSA-N 1 2 338.480 4.113 50 0 EIAALO CCn1cnn(C[N@@H+](C)C(c2ccccc2)c2ccccc2)c1=S ZINC000014198067 563749795 /nfs/dbraw/zinc/74/97/95/563749795.db2.gz MNMLRQSGMOMULR-UHFFFAOYSA-N 1 2 338.480 4.113 50 0 EIAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(C)c(C)c1 ZINC000015860744 563797426 /nfs/dbraw/zinc/79/74/26/563797426.db2.gz WFSPXXLGNZXKKH-QGZVFWFLSA-N 1 2 338.451 4.046 50 0 EIAALO Cc1cc(Cl)ccc1-n1ncc2c1nc[nH+]c2N1CCC[C@@H](C)C1 ZINC000015880912 563799614 /nfs/dbraw/zinc/79/96/14/563799614.db2.gz MMEASWCRIVQHKD-GFCCVEGCSA-N 1 2 341.846 4.014 50 0 EIAALO O=C(NCc1ccccc1-n1cc[nH+]c1)c1c(Cl)cccc1Cl ZINC000176786276 563913700 /nfs/dbraw/zinc/91/37/00/563913700.db2.gz VVPDCLHGWNRNPP-UHFFFAOYSA-N 1 2 346.217 4.109 50 0 EIAALO Cc1cccc(-c2ncc(C[NH2+][C@@H](C)c3cn4ccsc4n3)cn2)c1 ZINC000055211574 563934032 /nfs/dbraw/zinc/93/40/32/563934032.db2.gz OPGLTOHHOUIKHE-AWEZNQCLSA-N 1 2 349.463 4.012 50 0 EIAALO Cc1ccc(-c2nc(CN3CCCC[C@H]3c3[nH+]ccn3C)c(C)o2)o1 ZINC000055270945 563934332 /nfs/dbraw/zinc/93/43/32/563934332.db2.gz GJIPFWVVTYOTTI-INIZCTEOSA-N 1 2 340.427 4.012 50 0 EIAALO Cc1ccsc1CN(CC(C)C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000055568977 563934866 /nfs/dbraw/zinc/93/48/66/563934866.db2.gz KBNKOHXNSLEBTQ-UHFFFAOYSA-N 1 2 327.453 4.003 50 0 EIAALO Cc1cc(N2CCC(Cc3ccccc3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000060112748 563949653 /nfs/dbraw/zinc/94/96/53/563949653.db2.gz JQUWRRVKMGJWOB-UHFFFAOYSA-N 1 2 344.462 4.306 50 0 EIAALO Cc1ccccc1-c1ncc(CN(Cc2[nH+]ccn2C)C2CC2)s1 ZINC000065366109 563958236 /nfs/dbraw/zinc/95/82/36/563958236.db2.gz ITXFHHTWHWBXCY-UHFFFAOYSA-N 1 2 338.480 4.017 50 0 EIAALO Cc1nonc1[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2C)s1 ZINC000065382850 563959069 /nfs/dbraw/zinc/95/90/69/563959069.db2.gz VTSOXYNRSMFSOY-MRXNPFEDSA-N 1 2 340.452 4.147 50 0 EIAALO Cc1nonc1[C@H]1CCC[N@H+]1Cc1cnc(-c2ccccc2C)s1 ZINC000065382850 563959071 /nfs/dbraw/zinc/95/90/71/563959071.db2.gz VTSOXYNRSMFSOY-MRXNPFEDSA-N 1 2 340.452 4.147 50 0 EIAALO Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2C2CC=CC2)n1 ZINC000065387289 563959345 /nfs/dbraw/zinc/95/93/45/563959345.db2.gz BPQZLAYWEXSGTQ-UHFFFAOYSA-N 1 2 332.451 4.497 50 0 EIAALO c1[nH+]c(-c2ccccc2)c(CCc2ccccc2)n1Cc1ccncn1 ZINC000065451595 563960920 /nfs/dbraw/zinc/96/09/20/563960920.db2.gz NVECQBYGVPBNLY-UHFFFAOYSA-N 1 2 340.430 4.174 50 0 EIAALO c1[nH+]c(-c2ccccc2)c([C@@H]2CCOC2)n1CCNc1ccccc1 ZINC000065452001 563961089 /nfs/dbraw/zinc/96/10/89/563961089.db2.gz BKZIJOYBHMZCCQ-GOSISDBHSA-N 1 2 333.435 4.166 50 0 EIAALO CS[C@@H](C)Cc1c(-c2ccccc2)[nH+]cn1CCc1ccccn1 ZINC000065469511 563961352 /nfs/dbraw/zinc/96/13/52/563961352.db2.gz VUYVZTNNJKOBFD-INIZCTEOSA-N 1 2 337.492 4.482 50 0 EIAALO Cc1c[nH+]c(C)nc1NCc1cccnc1Oc1ccc(F)cc1F ZINC000067773923 563962718 /nfs/dbraw/zinc/96/27/18/563962718.db2.gz RASWUSTWCPSTER-UHFFFAOYSA-N 1 2 342.349 4.171 50 0 EIAALO O=C(Nc1c[nH+]c2n1CCCC2)c1ccccc1Oc1ccccc1 ZINC000067820935 563962831 /nfs/dbraw/zinc/96/28/31/563962831.db2.gz ICXQQRLORQEKSX-UHFFFAOYSA-N 1 2 333.391 4.264 50 0 EIAALO CC(C)c1ccc(NCc2ccc[nH+]c2N2CCCCCCC2)nn1 ZINC000067821690 563962848 /nfs/dbraw/zinc/96/28/48/563962848.db2.gz TVUDLHZTQFTOTO-UHFFFAOYSA-N 1 2 339.487 4.378 50 0 EIAALO CCCCN(Cc1ccccc1C)C(=O)c1ccc2[nH+]c(C)cn2c1 ZINC000082091658 563972065 /nfs/dbraw/zinc/97/20/65/563972065.db2.gz BWFFJLWAHYHDTC-UHFFFAOYSA-N 1 2 335.451 4.394 50 0 EIAALO Cc1cn2cc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)ccc2[nH+]1 ZINC000082115540 563972383 /nfs/dbraw/zinc/97/23/83/563972383.db2.gz HKUOVMWJAIPQFM-SFHVURJKSA-N 1 2 337.398 4.149 50 0 EIAALO Cc1cc(Cl)ccc1C(=O)N1CCC(c2[nH+]ccn2C(C)C)CC1 ZINC000091663880 563975621 /nfs/dbraw/zinc/97/56/21/563975621.db2.gz ISXSLDAZZKCUCE-UHFFFAOYSA-N 1 2 345.874 4.446 50 0 EIAALO C=Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCCC)C2)cc1 ZINC000095358985 563976751 /nfs/dbraw/zinc/97/67/51/563976751.db2.gz RXVPLUVXQGPEKS-LJQANCHMSA-N 1 2 337.467 4.346 50 0 EIAALO CCc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)cs1 ZINC000095360043 563976758 /nfs/dbraw/zinc/97/67/58/563976758.db2.gz AFPNLTMQKPPFGL-CQSZACIVSA-N 1 2 331.485 4.108 50 0 EIAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000095366730 563976818 /nfs/dbraw/zinc/97/68/18/563976818.db2.gz HINGOXWFQDAIGO-CYBMUJFWSA-N 1 2 348.397 4.154 50 0 EIAALO Cc1nnc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3Cl)o2)[nH]1 ZINC000097713704 563981784 /nfs/dbraw/zinc/98/17/84/563981784.db2.gz JBGXJKCDQMJWIR-INIZCTEOSA-N 1 2 342.830 4.364 50 0 EIAALO Cc1nnc([C@@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3Cl)o2)[nH]1 ZINC000097713704 563981785 /nfs/dbraw/zinc/98/17/85/563981785.db2.gz JBGXJKCDQMJWIR-INIZCTEOSA-N 1 2 342.830 4.364 50 0 EIAALO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)c1 ZINC000154739046 564007708 /nfs/dbraw/zinc/00/77/08/564007708.db2.gz IIYUBALHEQRVMV-CQSZACIVSA-N 1 2 335.407 4.151 50 0 EIAALO Cc1ccc(Cn2ncc3c2nc[nH+]c3Nc2ccc(C)cc2)cc1 ZINC000000521277 564021028 /nfs/dbraw/zinc/02/10/28/564021028.db2.gz FTYJVJJYTRJAEI-UHFFFAOYSA-N 1 2 329.407 4.235 50 0 EIAALO O=C1CCCC2=C1C1(CCCC1)[NH+]=C(Nc1nc3ccccc3o1)N2 ZINC000104156275 564023754 /nfs/dbraw/zinc/02/37/54/564023754.db2.gz BNWJBNLQZQLJEY-UHFFFAOYSA-N 1 2 336.395 4.359 50 0 EIAALO Cc1cccc(-c2nnc(SCc3cn4cccc(C)c4[nH+]3)o2)c1 ZINC000012139361 564026369 /nfs/dbraw/zinc/02/63/69/564026369.db2.gz JFYJCOKHKDFJOG-UHFFFAOYSA-N 1 2 336.420 4.293 50 0 EIAALO COc1ccc2cc(C[N@H+](C)[C@H](C)c3nc(C4CC4)no3)ccc2c1 ZINC000048234235 564030105 /nfs/dbraw/zinc/03/01/05/564030105.db2.gz PQTPFLWWVKQXBK-CYBMUJFWSA-N 1 2 337.423 4.302 50 0 EIAALO COc1ccc2cc(C[N@@H+](C)[C@H](C)c3nc(C4CC4)no3)ccc2c1 ZINC000048234235 564030106 /nfs/dbraw/zinc/03/01/06/564030106.db2.gz PQTPFLWWVKQXBK-CYBMUJFWSA-N 1 2 337.423 4.302 50 0 EIAALO CC[C@H]1C[N@H+](Cc2ccc(O)c(Cl)c2)Cc2cc(OC)ccc2O1 ZINC000014973939 564035750 /nfs/dbraw/zinc/03/57/50/564035750.db2.gz FSIUEYRBRPIHOA-HNNXBMFYSA-N 1 2 347.842 4.227 50 0 EIAALO CC[C@H]1C[N@@H+](Cc2ccc(O)c(Cl)c2)Cc2cc(OC)ccc2O1 ZINC000014973939 564035751 /nfs/dbraw/zinc/03/57/51/564035751.db2.gz FSIUEYRBRPIHOA-HNNXBMFYSA-N 1 2 347.842 4.227 50 0 EIAALO C[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccc(Cl)cc1 ZINC000058341550 564050341 /nfs/dbraw/zinc/05/03/41/564050341.db2.gz XSDQRLLQSNEEAW-ZDUSSCGKSA-N 1 2 327.815 4.165 50 0 EIAALO CC[C@@](C)([NH2+]Cc1nnc(-c2ccc(F)cc2)o1)c1nc(C)cs1 ZINC000084721226 564069794 /nfs/dbraw/zinc/06/97/94/564069794.db2.gz JEVRHLSIHZWEKA-QGZVFWFLSA-N 1 2 346.431 4.056 50 0 EIAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000006084852 564073666 /nfs/dbraw/zinc/07/36/66/564073666.db2.gz BERSTKLDRUWUOL-LBPRGKRZSA-N 1 2 349.261 4.379 50 0 EIAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCc2ccccc2C1 ZINC000006084852 564073667 /nfs/dbraw/zinc/07/36/67/564073667.db2.gz BERSTKLDRUWUOL-LBPRGKRZSA-N 1 2 349.261 4.379 50 0 EIAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc(C)c1C ZINC000015860736 564076919 /nfs/dbraw/zinc/07/69/19/564076919.db2.gz LMQUGBQXHWCCEY-QGZVFWFLSA-N 1 2 338.451 4.046 50 0 EIAALO C[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(Cl)c(Cl)c1 ZINC000012953237 564080330 /nfs/dbraw/zinc/08/03/30/564080330.db2.gz DZHXFTHRWLGKFA-UHFFFAOYSA-N 1 2 338.194 4.268 50 0 EIAALO C[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(Cl)c(Cl)c1 ZINC000012953237 564080331 /nfs/dbraw/zinc/08/03/31/564080331.db2.gz DZHXFTHRWLGKFA-UHFFFAOYSA-N 1 2 338.194 4.268 50 0 EIAALO Cc1ccc(NC(=O)[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000075278511 564081372 /nfs/dbraw/zinc/08/13/72/564081372.db2.gz BVJCMSDXSLDTQF-GOSISDBHSA-N 1 2 328.843 4.424 50 0 EIAALO CC(C)CC(=O)N(Cc1[nH+]ccn1Cc1ccccc1F)CC(C)C ZINC000006690554 564095875 /nfs/dbraw/zinc/09/58/75/564095875.db2.gz HQSWHWONUDAPFC-UHFFFAOYSA-N 1 2 345.462 4.101 50 0 EIAALO Cc1ccc(C)c(-n2cnn(C[N@@H+](C)Cc3ccccc3)c2=S)c1 ZINC000006986016 564102645 /nfs/dbraw/zinc/10/26/45/564102645.db2.gz AEBMQSYZGMJYGM-UHFFFAOYSA-N 1 2 338.480 4.110 50 0 EIAALO Cc1ccc(C)c(-n2cnn(C[N@H+](C)Cc3ccccc3)c2=S)c1 ZINC000006986016 564102646 /nfs/dbraw/zinc/10/26/46/564102646.db2.gz AEBMQSYZGMJYGM-UHFFFAOYSA-N 1 2 338.480 4.110 50 0 EIAALO CCN(CC)c1cc(CCC(=O)Nc2ccc(C)cc2C)cc[nH+]1 ZINC000065269929 564103847 /nfs/dbraw/zinc/10/38/47/564103847.db2.gz FSTPYQUNMNBZCZ-UHFFFAOYSA-N 1 2 325.456 4.116 50 0 EIAALO O=C(C[C@H]1C=CCC1)N[C@@H](Cc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000065493952 564106524 /nfs/dbraw/zinc/10/65/24/564106524.db2.gz FZDKQGGTURVRMO-HOCLYGCPSA-N 1 2 345.393 4.035 50 0 EIAALO O=C(C[C@H]1C=CCC1)N[C@H](Cc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000065493949 564106527 /nfs/dbraw/zinc/10/65/27/564106527.db2.gz FZDKQGGTURVRMO-GOEBONIOSA-N 1 2 345.393 4.035 50 0 EIAALO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000007378545 564107144 /nfs/dbraw/zinc/10/71/44/564107144.db2.gz BDVOWKXZXMFLNS-LBPRGKRZSA-N 1 2 349.261 4.379 50 0 EIAALO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000007378545 564107145 /nfs/dbraw/zinc/10/71/45/564107145.db2.gz BDVOWKXZXMFLNS-LBPRGKRZSA-N 1 2 349.261 4.379 50 0 EIAALO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000089910228 564115271 /nfs/dbraw/zinc/11/52/71/564115271.db2.gz WCKYRCPUVMJZCF-LLVKDONJSA-N 1 2 338.238 4.020 50 0 EIAALO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000089910228 564115272 /nfs/dbraw/zinc/11/52/72/564115272.db2.gz WCKYRCPUVMJZCF-LLVKDONJSA-N 1 2 338.238 4.020 50 0 EIAALO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 ZINC000017242177 564116759 /nfs/dbraw/zinc/11/67/59/564116759.db2.gz ACIHXFGAEPNSCL-CYBMUJFWSA-N 1 2 333.370 4.128 50 0 EIAALO Cc1c2ccccc2oc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007738609 564122492 /nfs/dbraw/zinc/12/24/92/564122492.db2.gz HNVUKFUXSGODTI-HNNXBMFYSA-N 1 2 345.402 4.418 50 0 EIAALO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1 ZINC000007926912 564125550 /nfs/dbraw/zinc/12/55/50/564125550.db2.gz ISTHPIBSNSLWPW-UHFFFAOYSA-N 1 2 329.252 4.125 50 0 EIAALO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1 ZINC000007926912 564125551 /nfs/dbraw/zinc/12/55/51/564125551.db2.gz ISTHPIBSNSLWPW-UHFFFAOYSA-N 1 2 329.252 4.125 50 0 EIAALO OCCCc1[nH+]c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000002330326 564132329 /nfs/dbraw/zinc/13/23/29/564132329.db2.gz CNFLGZPJSLFTDN-UHFFFAOYSA-N 1 2 335.234 4.316 50 0 EIAALO C[C@@H](C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1)n1cc[nH+]c1 ZINC000079073573 564137808 /nfs/dbraw/zinc/13/78/08/564137808.db2.gz RDDBNXWRGRKCHJ-MGPUTAFESA-N 1 2 345.402 4.096 50 0 EIAALO Cc1ccsc1[C@@H](C)[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000095419869 564139881 /nfs/dbraw/zinc/13/98/81/564139881.db2.gz UQPFMVJBRHQYJZ-CZUORRHYSA-N 1 2 329.444 4.369 50 0 EIAALO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000095423698 564140204 /nfs/dbraw/zinc/14/02/04/564140204.db2.gz CLJPYLSYYQAALQ-KBPBESRZSA-N 1 2 348.903 4.156 50 0 EIAALO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(-c2ccsc2)c1 ZINC000095426823 564140207 /nfs/dbraw/zinc/14/02/07/564140207.db2.gz ZPZXDBFXIVJCNS-UHFFFAOYSA-N 1 2 340.452 4.166 50 0 EIAALO Cc1cccc2[nH+]c(CSCc3csc([C@@H]4CCCO4)n3)cn21 ZINC000096008433 564144605 /nfs/dbraw/zinc/14/46/05/564144605.db2.gz LIAHNMYMRJPZST-HNNXBMFYSA-N 1 2 345.493 4.384 50 0 EIAALO Cc1ccc2[nH+]c(-c3cccnc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000002468848 564149671 /nfs/dbraw/zinc/14/96/71/564149671.db2.gz VUYXOBFHLJVYNA-UHFFFAOYSA-N 1 2 344.374 4.177 50 0 EIAALO Cc1[nH]c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)cc2[nH+]1 ZINC000056309642 564152138 /nfs/dbraw/zinc/15/21/38/564152138.db2.gz PDHQOMJLRIMDAB-NEPJUHHUSA-N 1 2 325.334 4.179 50 0 EIAALO C[C@H](C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)n1cc[nH+]c1 ZINC000056483108 564152559 /nfs/dbraw/zinc/15/25/59/564152559.db2.gz SOJYKHLSICQEDA-ABAIWWIYSA-N 1 2 338.238 4.115 50 0 EIAALO C[C@H]1CCC[C@H](C)[NH+]1Cn1nc2sc3ccccc3n2c1=S ZINC000003348576 564157564 /nfs/dbraw/zinc/15/75/64/564157564.db2.gz BWDRHCSBSLPDTB-RYUDHWBXSA-N 1 2 332.498 4.300 50 0 EIAALO CCCCNc1[nH+]c2ccccc2n1CC(=O)c1cc(C)n(C)c1C ZINC000008013063 564162129 /nfs/dbraw/zinc/16/21/29/564162129.db2.gz ARHAFSNXGXGEHQ-UHFFFAOYSA-N 1 2 338.455 4.087 50 0 EIAALO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000008267809 564163890 /nfs/dbraw/zinc/16/38/90/564163890.db2.gz CGSCAGIEIYXAOJ-CHWSQXEVSA-N 1 2 341.282 4.444 50 0 EIAALO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000008267809 564163891 /nfs/dbraw/zinc/16/38/91/564163891.db2.gz CGSCAGIEIYXAOJ-CHWSQXEVSA-N 1 2 341.282 4.444 50 0 EIAALO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(F)cc1Cl ZINC000008320427 564164286 /nfs/dbraw/zinc/16/42/86/564164286.db2.gz WMWMZPBZIDEEOJ-CQSZACIVSA-N 1 2 338.835 4.316 50 0 EIAALO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(F)cc1Cl ZINC000008320427 564164287 /nfs/dbraw/zinc/16/42/87/564164287.db2.gz WMWMZPBZIDEEOJ-CQSZACIVSA-N 1 2 338.835 4.316 50 0 EIAALO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N(CC(C)C)CC(C)C ZINC000009250286 564171814 /nfs/dbraw/zinc/17/18/14/564171814.db2.gz ZQDHEJDRKDKICT-UHFFFAOYSA-N 1 2 329.488 4.102 50 0 EIAALO CC(C)c1nsc(NC[C@H](c2ccc(Cl)cc2)n2cc[nH+]c2)n1 ZINC000888094916 1025953882 /nfs/dbraw/zinc/95/38/82/1025953882.db2.gz GZQDBEQDDJHLMB-CQSZACIVSA-N 1 2 347.875 4.213 50 0 EIAALO CC(C)c1cccc2c1CC[N@@H+]([C@@H](C)c1nc(-c3cccnc3)no1)C2 ZINC000191892559 1049028474 /nfs/dbraw/zinc/02/84/74/1049028474.db2.gz FCJSBTNZEZMQFN-HNNXBMFYSA-N 1 2 348.450 4.374 50 0 EIAALO CC(C)c1cccc2c1CC[N@H+]([C@@H](C)c1nc(-c3cccnc3)no1)C2 ZINC000191892559 1049028494 /nfs/dbraw/zinc/02/84/94/1049028494.db2.gz FCJSBTNZEZMQFN-HNNXBMFYSA-N 1 2 348.450 4.374 50 0 EIAALO C[N@H+](Cc1nc(Cc2ccccc2)no1)Cc1cccc2ccccc21 ZINC000051993130 214112134 /nfs/dbraw/zinc/11/21/34/214112134.db2.gz RQWNWPWZXJKKPM-UHFFFAOYSA-N 1 2 343.430 4.446 50 0 EIAALO C[N@@H+](Cc1nc(Cc2ccccc2)no1)Cc1cccc2ccccc21 ZINC000051993130 214112137 /nfs/dbraw/zinc/11/21/37/214112137.db2.gz RQWNWPWZXJKKPM-UHFFFAOYSA-N 1 2 343.430 4.446 50 0 EIAALO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803657 214147836 /nfs/dbraw/zinc/14/78/36/214147836.db2.gz CKXDBHNPQDYMHZ-BDJLRTHQSA-N 1 2 336.407 4.190 50 0 EIAALO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803657 214147839 /nfs/dbraw/zinc/14/78/39/214147839.db2.gz CKXDBHNPQDYMHZ-BDJLRTHQSA-N 1 2 336.407 4.190 50 0 EIAALO CC(C)[NH+]1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 ZINC000058357456 214561601 /nfs/dbraw/zinc/56/16/01/214561601.db2.gz UTIAFICDQUIZMP-UHFFFAOYSA-N 1 2 344.505 4.282 50 0 EIAALO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1Cl ZINC000003582961 210058474 /nfs/dbraw/zinc/05/84/74/210058474.db2.gz PLHLRIDQHXBFQJ-UHFFFAOYSA-N 1 2 342.870 4.233 50 0 EIAALO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cc2ccccc2)o1 ZINC000003413281 210031192 /nfs/dbraw/zinc/03/11/92/210031192.db2.gz KUJBFAVXSIOYRZ-UHFFFAOYSA-N 1 2 348.446 4.249 50 0 EIAALO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cc2ccccc2)o1 ZINC000003413281 210031198 /nfs/dbraw/zinc/03/11/98/210031198.db2.gz KUJBFAVXSIOYRZ-UHFFFAOYSA-N 1 2 348.446 4.249 50 0 EIAALO CC[C@H]1CCCC[N@@H+]1Cn1nc2c(Cl)cc(Cl)cn2c1=S ZINC000003369210 210019505 /nfs/dbraw/zinc/01/95/05/210019505.db2.gz AOGZVYGQJQUGRR-NSHDSACASA-N 1 2 345.299 4.394 50 0 EIAALO CC[C@H]1CCCC[N@H+]1Cn1nc2c(Cl)cc(Cl)cn2c1=S ZINC000003369210 210019509 /nfs/dbraw/zinc/01/95/09/210019509.db2.gz AOGZVYGQJQUGRR-NSHDSACASA-N 1 2 345.299 4.394 50 0 EIAALO C[C@@H]1CCC[C@H](C)[N@H+]1Cn1nc2sc3ccccc3n2c1=S ZINC000003348574 210015017 /nfs/dbraw/zinc/01/50/17/210015017.db2.gz BWDRHCSBSLPDTB-TXEJJXNPSA-N 1 2 332.498 4.300 50 0 EIAALO C[C@@H]1CCC[C@H](C)[N@@H+]1Cn1nc2sc3ccccc3n2c1=S ZINC000003348574 210015020 /nfs/dbraw/zinc/01/50/20/210015020.db2.gz BWDRHCSBSLPDTB-TXEJJXNPSA-N 1 2 332.498 4.300 50 0 EIAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](Cc2ccco2)CCO3)s1 ZINC000067947815 215255891 /nfs/dbraw/zinc/25/58/91/215255891.db2.gz WVIBRMCPENNYPK-UHFFFAOYSA-N 1 2 341.432 4.417 50 0 EIAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](Cc2ccco2)CCO3)s1 ZINC000067947815 215255892 /nfs/dbraw/zinc/25/58/92/215255892.db2.gz WVIBRMCPENNYPK-UHFFFAOYSA-N 1 2 341.432 4.417 50 0 EIAALO C[C@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1C)c1ccccc1Cl ZINC000035264448 213017164 /nfs/dbraw/zinc/01/71/64/213017164.db2.gz WIVJBYVXXYHBGN-QWHCGFSZSA-N 1 2 348.899 4.198 50 0 EIAALO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C)c1ccccc1Cl ZINC000035264448 213017160 /nfs/dbraw/zinc/01/71/60/213017160.db2.gz WIVJBYVXXYHBGN-QWHCGFSZSA-N 1 2 348.899 4.198 50 0 EIAALO CC(C)c1nc([C@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)no1 ZINC000072279400 216107030 /nfs/dbraw/zinc/10/70/30/216107030.db2.gz NLLOAVDFVRDGIT-OAHLLOKOSA-N 1 2 340.427 4.104 50 0 EIAALO CC(C)c1nc([C@H]2CCC[N@H+]2CCCc2nc3ccccc3o2)no1 ZINC000072279400 216107034 /nfs/dbraw/zinc/10/70/34/216107034.db2.gz NLLOAVDFVRDGIT-OAHLLOKOSA-N 1 2 340.427 4.104 50 0 EIAALO Cc1ccc(-c2cc(NCc3ccncc3)nc3[nH]ccc32)c(C)[nH+]1 ZINC000072421633 216210298 /nfs/dbraw/zinc/21/02/98/216210298.db2.gz VMPQYOWEEYJRDB-UHFFFAOYSA-N 1 2 329.407 4.249 50 0 EIAALO Cc1cc(C)c(NC(=O)[C@@H](C)Sc2[nH+]cc3ccccn32)c(C)c1 ZINC000026372597 212516556 /nfs/dbraw/zinc/51/65/56/212516556.db2.gz CQACLAGNADHSGN-OAHLLOKOSA-N 1 2 339.464 4.379 50 0 EIAALO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccccc2Cl)c(OC)c1 ZINC000022781162 212324139 /nfs/dbraw/zinc/32/41/39/212324139.db2.gz DDWDDLGMHNETGW-LBPRGKRZSA-N 1 2 335.831 4.217 50 0 EIAALO CN1CC[NH+]([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022032760 212272973 /nfs/dbraw/zinc/27/29/73/212272973.db2.gz XRYLGRGAWQSVQW-QGZVFWFLSA-N 1 2 344.911 4.336 50 0 in-man EIAALO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc(OC)c1 ZINC000021720458 212243549 /nfs/dbraw/zinc/24/35/49/212243549.db2.gz QWRFWEQHQHIMIV-SFHVURJKSA-N 1 2 330.428 4.152 50 0 EIAALO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc(OC)c1 ZINC000021720458 212243552 /nfs/dbraw/zinc/24/35/52/212243552.db2.gz QWRFWEQHQHIMIV-SFHVURJKSA-N 1 2 330.428 4.152 50 0 EIAALO Cc1cccc2[nH+]c(CNC(=O)[C@@H](c3ccccc3)C3CCCC3)cn21 ZINC000244716062 243066704 /nfs/dbraw/zinc/06/67/04/243066704.db2.gz LHRXRFSRLXDBGO-NRFANRHFSA-N 1 2 347.462 4.233 50 0 EIAALO Cc1cc([C@@H](C)[NH2+]Cc2ccnc(Oc3ccccc3F)c2)no1 ZINC000252482956 243774061 /nfs/dbraw/zinc/77/40/61/243774061.db2.gz DRDAOKGHOKMCPN-CYBMUJFWSA-N 1 2 327.359 4.160 50 0 EIAALO CSc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000019781722 212065198 /nfs/dbraw/zinc/06/51/98/212065198.db2.gz SUIMUMSHEQVQDC-UHFFFAOYSA-N 1 2 346.927 4.380 50 0 EIAALO CCn1cc[nH+]c1Cn1ccc(-c2cccc(-c3ccncc3F)c2)n1 ZINC000019537739 212040535 /nfs/dbraw/zinc/04/05/35/212040535.db2.gz MIIRZMOBNIGDCR-UHFFFAOYSA-N 1 2 347.397 4.016 50 0 EIAALO Clc1ccc([C@@H](Nc2cccc[nH+]2)n2nnc3ccccc32)cc1 ZINC000019143715 212001976 /nfs/dbraw/zinc/00/19/76/212001976.db2.gz VAXJQBCXJCDLAO-SFHVURJKSA-N 1 2 335.798 4.139 50 0 EIAALO CCn1c2ccccc2nc1SCc1[nH+]cc(C)c(OC)c1C ZINC000078707806 217105253 /nfs/dbraw/zinc/10/52/53/217105253.db2.gz OYPZAEFSIXOPCD-UHFFFAOYSA-N 1 2 327.453 4.369 50 0 EIAALO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2c2ccsc2)cs1)C1CC1 ZINC000079354043 217213201 /nfs/dbraw/zinc/21/32/01/217213201.db2.gz UCASSXGTDWTMBP-MRXNPFEDSA-N 1 2 347.509 4.057 50 0 EIAALO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2c2ccsc2)cs1)C1CC1 ZINC000079354043 217213204 /nfs/dbraw/zinc/21/32/04/217213204.db2.gz UCASSXGTDWTMBP-MRXNPFEDSA-N 1 2 347.509 4.057 50 0 EIAALO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000010767443 211189037 /nfs/dbraw/zinc/18/90/37/211189037.db2.gz ZFADUYOWDUQZME-GFCCVEGCSA-N 1 2 334.872 4.095 50 0 EIAALO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000010767443 211189040 /nfs/dbraw/zinc/18/90/40/211189040.db2.gz ZFADUYOWDUQZME-GFCCVEGCSA-N 1 2 334.872 4.095 50 0 EIAALO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C/C=C/c2ccc(F)cc2)o1 ZINC000092355857 218136611 /nfs/dbraw/zinc/13/66/11/218136611.db2.gz NZAAHWBYAOWZOL-DPZZJQGRSA-N 1 2 349.409 4.330 50 0 EIAALO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C/C=C/c2ccc(F)cc2)o1 ZINC000092355857 218136612 /nfs/dbraw/zinc/13/66/12/218136612.db2.gz NZAAHWBYAOWZOL-DPZZJQGRSA-N 1 2 349.409 4.330 50 0 EIAALO CCCCC(=O)Nc1ccc(Nc2nc(NCC)cc(C)[nH+]2)cc1 ZINC000009573272 211102411 /nfs/dbraw/zinc/10/24/11/211102411.db2.gz IBQGLIFAWRUNMF-UHFFFAOYSA-N 1 2 327.432 4.089 50 0 EIAALO O=C([C@H](Nc1ccc([NH+]2CCCC2)cc1)c1ccccc1)N1CCCC1 ZINC000009549301 211101375 /nfs/dbraw/zinc/10/13/75/211101375.db2.gz IDZNIACNFGLHHM-OAQYLSRUSA-N 1 2 349.478 4.062 50 0 EIAALO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000095423699 218366043 /nfs/dbraw/zinc/36/60/43/218366043.db2.gz CLJPYLSYYQAALQ-UONOGXRCSA-N 1 2 348.903 4.156 50 0 EIAALO CCc1oc2c(cccc2NC(=O)NCC[C@H](C)n2cc[nH+]c2)c1C ZINC000299762285 258078632 /nfs/dbraw/zinc/07/86/32/258078632.db2.gz SYIGVLRLYZQZRR-ZDUSSCGKSA-N 1 2 340.427 4.273 50 0 EIAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc(F)c(Cl)c2)C(=O)[C@@H]1C ZINC000037521623 132395048 /nfs/dbraw/zinc/39/50/48/132395048.db2.gz OGBLECTYGDTBIA-AWEZNQCLSA-N 1 2 346.833 4.025 50 0 EIAALO Cc1ccccc1C[N@H+]1CCN(c2ccc(F)c(Cl)c2)C(=O)[C@@H]1C ZINC000037521623 132395049 /nfs/dbraw/zinc/39/50/49/132395049.db2.gz OGBLECTYGDTBIA-AWEZNQCLSA-N 1 2 346.833 4.025 50 0 EIAALO CN(C(=O)CC/C=C\c1ccccc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000096413805 523793123 /nfs/dbraw/zinc/79/31/23/523793123.db2.gz JKDQUUFASUDTCJ-WZUFQYTHSA-N 1 2 349.478 4.002 50 0 EIAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1NCc1ccco1 ZINC000000071817 563215392 /nfs/dbraw/zinc/21/53/92/563215392.db2.gz AEMUKNJUDGSTEO-UHFFFAOYSA-N 1 2 340.379 4.015 50 0 EIAALO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000001428807 563388884 /nfs/dbraw/zinc/38/88/84/563388884.db2.gz GOSIUSLNSFRIHF-UHFFFAOYSA-N 1 2 345.324 4.203 50 0 EIAALO CC[C@H](NC(=O)N(Cc1ccsc1)C1CCCC1)c1[nH]cc(C)[nH+]1 ZINC000584902362 563417528 /nfs/dbraw/zinc/41/75/28/563417528.db2.gz JLABQKRLUWSTLO-INIZCTEOSA-N 1 2 346.500 4.385 50 0 EIAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1 ZINC000012939645 563677782 /nfs/dbraw/zinc/67/77/82/563677782.db2.gz ZIEFCASCJLUBMD-UHFFFAOYSA-N 1 2 349.887 4.281 50 0 EIAALO Cc1ccc(-n2cnn(C[N@H+]3CCC[C@@H](C)C3)c2=S)cc1Cl ZINC000013097635 563687688 /nfs/dbraw/zinc/68/76/88/563687688.db2.gz 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ZINC000069416036 564169250 /nfs/dbraw/zinc/16/92/50/564169250.db2.gz ZRGIKZAPHZJEGZ-GUYCJALGSA-N 1 2 326.444 4.314 50 0 EIAALO CSc1nnc(C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)s1 ZINC000069566457 564170539 /nfs/dbraw/zinc/17/05/39/564170539.db2.gz MZANKCPECXCJFZ-UHFFFAOYSA-N 1 2 347.431 4.304 50 0 EIAALO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2ccccc2n1 ZINC000084598133 1041232728 /nfs/dbraw/zinc/23/27/28/1041232728.db2.gz VRGPXTVWHVTWKR-KPKJPENVSA-N 1 2 340.386 4.072 50 0 EIAALO CCC[C@@H]1CCCCN1C(=O)Nc1ccc(N2CCCC2)[nH+]c1C ZINC000183279070 1051060590 /nfs/dbraw/zinc/06/05/90/1051060590.db2.gz MYLOVLZNYSVLSV-MRXNPFEDSA-N 1 2 330.476 4.177 50 0 EIAALO Cc1nc([C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)c2ccc(Cl)cc2)no1 ZINC000527688058 1053471855 /nfs/dbraw/zinc/47/18/55/1053471855.db2.gz MZDJWFBRNZDUQC-OOOSANSDSA-N 1 2 331.847 4.145 50 0 EIAALO Cc1c[nH+]c(-c2ccccc2)n1CC1CN(C(=O)Nc2ccccc2)C1 ZINC000581807382 1060020065 /nfs/dbraw/zinc/02/00/65/1060020065.db2.gz FITVBYGUSIOIOI-UHFFFAOYSA-N 1 2 346.434 4.022 50 0 EIAALO CC[C@H](c1ccc(OC)cc1)N(C)C(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000097675455 219047160 /nfs/dbraw/zinc/04/71/60/219047160.db2.gz DJIDGKFLYAOAGB-LJQANCHMSA-N 1 2 349.434 4.309 50 0 EIAALO CCCc1[nH+]cc([C@](O)(c2ccccc2)c2cc(C)ccc2C)n1C ZINC000004663983 210241982 /nfs/dbraw/zinc/24/19/82/210241982.db2.gz PLRIJQYABADXAE-QFIPXVFZSA-N 1 2 334.463 4.274 50 0 EIAALO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(Cc3ccccc3)no2)c1 ZINC000040153838 213274526 /nfs/dbraw/zinc/27/45/26/213274526.db2.gz MWTYPTFQUMBOGF-SFHVURJKSA-N 1 2 337.398 4.137 50 0 EIAALO Fc1cccc([C@@H]2CCC[N@H+]2Cc2nc(Cc3ccccc3)no2)c1 ZINC000040153838 213274528 /nfs/dbraw/zinc/27/45/28/213274528.db2.gz MWTYPTFQUMBOGF-SFHVURJKSA-N 1 2 337.398 4.137 50 0 EIAALO c1c[nH]c(-c2nccn2CC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000072423810 216213395 /nfs/dbraw/zinc/21/33/95/216213395.db2.gz RRFRBJISQRASGA-UHFFFAOYSA-N 1 2 346.438 4.124 50 0 EIAALO Cc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c(C)[nH+]1 ZINC000072430369 216222076 /nfs/dbraw/zinc/22/20/76/216222076.db2.gz BIHICJKRUNLRJJ-UHFFFAOYSA-N 1 2 329.407 4.249 50 0 EIAALO Cc1[nH]c([C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)[nH+]c1-c1ccccc1 ZINC000023428941 212377142 /nfs/dbraw/zinc/37/71/42/212377142.db2.gz DUYOYRSZZDALJJ-LJQANCHMSA-N 1 2 345.446 4.210 50 0 EIAALO Cc1ccc(-c2nc(CCn3c[nH+]c4cc(C)c(C)cc43)no2)cc1 ZINC000022732848 212319784 /nfs/dbraw/zinc/31/97/84/212319784.db2.gz IHYGKNCSHKNNSB-UHFFFAOYSA-N 1 2 332.407 4.254 50 0 EIAALO O=C(NC[C@@H](c1ccsc1)[NH+]1CCC1)c1cc2ccccc2s1 ZINC000225594261 241942368 /nfs/dbraw/zinc/94/23/68/241942368.db2.gz OWQZOKFAHAIYQK-HNNXBMFYSA-N 1 2 342.489 4.140 50 0 EIAALO Fc1cccc2c(Nc3ccc([NH2+]C4CCOCC4)cc3)ncnc12 ZINC000241809989 243002693 /nfs/dbraw/zinc/00/26/93/243002693.db2.gz SCFRBIZSENPQDA-UHFFFAOYSA-N 1 2 338.386 4.103 50 0 EIAALO CN1CC[N@H+](Cc2cc(C3CCCCC3)no2)C[C@@H]1c1ccccc1 ZINC000244874264 243091587 /nfs/dbraw/zinc/09/15/87/243091587.db2.gz WXROCUASTSWSQQ-OAQYLSRUSA-N 1 2 339.483 4.211 50 0 EIAALO CN1CC[N@@H+](Cc2cc(C3CCCCC3)no2)C[C@@H]1c1ccccc1 ZINC000244874264 243091597 /nfs/dbraw/zinc/09/15/97/243091597.db2.gz WXROCUASTSWSQQ-OAQYLSRUSA-N 1 2 339.483 4.211 50 0 EIAALO CSc1nc2sc3c(c2c(NC2CCCCC2)n1)CC[N@H+](C)C3 ZINC000020393957 212124411 /nfs/dbraw/zinc/12/44/11/212124411.db2.gz IBPVIYLJWYFOSC-UHFFFAOYSA-N 1 2 348.541 4.146 50 0 EIAALO CSc1nc2sc3c(c2c(NC2CCCCC2)n1)CC[N@@H+](C)C3 ZINC000020393957 212124414 /nfs/dbraw/zinc/12/44/14/212124414.db2.gz IBPVIYLJWYFOSC-UHFFFAOYSA-N 1 2 348.541 4.146 50 0 EIAALO CSc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019360167 212021813 /nfs/dbraw/zinc/02/18/13/212021813.db2.gz KDKNOYWLNQHKDG-UHFFFAOYSA-N 1 2 346.927 4.380 50 0 EIAALO CCCCCc1[nH+]c2ccccc2n1CC(=O)NCCc1ccccc1 ZINC000012525090 211398458 /nfs/dbraw/zinc/39/84/58/211398458.db2.gz SABWKVUPJVHQQD-UHFFFAOYSA-N 1 2 349.478 4.128 50 0 EIAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(SC)cc2)C1 ZINC000091493206 218014606 /nfs/dbraw/zinc/01/46/06/218014606.db2.gz XTSZYEMHRPXFEO-AWEZNQCLSA-N 1 2 344.484 4.036 50 0 EIAALO CC(C)[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000011473917 211218679 /nfs/dbraw/zinc/21/86/79/211218679.db2.gz UYKZENZPHNDGRF-FOIQADDNSA-N 1 2 342.508 4.181 50 0 EIAALO CC(C)[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000011473917 211218684 /nfs/dbraw/zinc/21/86/84/211218684.db2.gz UYKZENZPHNDGRF-FOIQADDNSA-N 1 2 342.508 4.181 50 0 EIAALO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1ccc(F)cc1Cl ZINC000010311022 211161449 /nfs/dbraw/zinc/16/14/49/211161449.db2.gz CHGAWYMDCBDXKC-KRWDZBQOSA-N 1 2 332.806 4.255 50 0 EIAALO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)Nc1ccc(F)cc1Cl ZINC000010311022 211161454 /nfs/dbraw/zinc/16/14/54/211161454.db2.gz CHGAWYMDCBDXKC-KRWDZBQOSA-N 1 2 332.806 4.255 50 0 EIAALO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000008394365 210947539 /nfs/dbraw/zinc/94/75/39/210947539.db2.gz QYPZTOCLSMPWLX-OAHLLOKOSA-N 1 2 343.430 4.375 50 0 EIAALO Fc1cccc(Cl)c1CC[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000095454358 218398414 /nfs/dbraw/zinc/39/84/14/218398414.db2.gz DAYJIYHIMPWOGY-HNNXBMFYSA-N 1 2 335.806 4.301 50 0 EIAALO Fc1cccc(Cl)c1CC[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000095454357 218398560 /nfs/dbraw/zinc/39/85/60/218398560.db2.gz DAYJIYHIMPWOGY-OAHLLOKOSA-N 1 2 335.806 4.301 50 0 EIAALO c1cn(-c2ccc(Oc3ncnc4sc5c(c43)CCC5)cc2)c[nH+]1 ZINC000007725581 210838322 /nfs/dbraw/zinc/83/83/22/210838322.db2.gz OUDIXSXYYLDPJB-UHFFFAOYSA-N 1 2 334.404 4.158 50 0 EIAALO Cn1c[nH+]cc1-c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000426563121 257963061 /nfs/dbraw/zinc/96/30/61/257963061.db2.gz SJFCMJWRKMQBLR-HXUWFJFHSA-N 1 2 345.446 4.107 50 0 EIAALO Cn1nccc1CNc1[nH+]c2ccccc2n1CCCc1ccccc1 ZINC000097162774 258068556 /nfs/dbraw/zinc/06/85/56/258068556.db2.gz GFQWGVISSLWXPH-UHFFFAOYSA-N 1 2 345.450 4.015 50 0 EIAALO Cc1[nH]c2ccc(NC(=O)N3CCCC[C@@H]3c3ccccn3)cc2[nH+]1 ZINC000299767576 258082269 /nfs/dbraw/zinc/08/22/69/258082269.db2.gz IKDHTEGVEMMPTK-GOSISDBHSA-N 1 2 335.411 4.025 50 0 EIAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@H]2C)c1 ZINC000035798953 132390799 /nfs/dbraw/zinc/39/07/99/132390799.db2.gz DIRZHZUOFCLODW-MRXNPFEDSA-N 1 2 342.870 4.194 50 0 EIAALO Cc1cccc(C[N@H+]2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@H]2C)c1 ZINC000035798953 132390800 /nfs/dbraw/zinc/39/08/00/132390800.db2.gz DIRZHZUOFCLODW-MRXNPFEDSA-N 1 2 342.870 4.194 50 0 EIAALO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(n2cccc2)CC1 ZINC000050932079 535714440 /nfs/dbraw/zinc/71/44/40/535714440.db2.gz BYOODRKDDNISCJ-UHFFFAOYSA-N 1 2 349.434 4.055 50 0 EIAALO Fc1cc(Br)cc([C@@H](CC2CC2)[NH2+]Cc2ccon2)c1 ZINC000188185190 563962222 /nfs/dbraw/zinc/96/22/22/563962222.db2.gz FYGDHMMRRKUNLH-OAHLLOKOSA-N 1 2 339.208 4.207 50 0 EIAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1ccc(C)cc1 ZINC000000095866 563224230 /nfs/dbraw/zinc/22/42/30/563224230.db2.gz VADGSZGJTTYKFS-UHFFFAOYSA-N 1 2 336.391 4.472 50 0 EIAALO Fc1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000000234545 563263720 /nfs/dbraw/zinc/26/37/20/563263720.db2.gz JDOHALNZXSRDPZ-UHFFFAOYSA-N 1 2 338.348 4.167 50 0 EIAALO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc(C(C)C)cc3)c2cc1C ZINC000000242941 563265302 /nfs/dbraw/zinc/26/53/02/563265302.db2.gz QYWWOYGUBPJKTG-GOSISDBHSA-N 1 2 338.451 4.216 50 0 EIAALO Cc1cc(Cl)c(OCCCn2cc[nH+]c2)c(Br)c1 ZINC000006110206 563558932 /nfs/dbraw/zinc/55/89/32/563558932.db2.gz LJJHRLTYUYANBU-UHFFFAOYSA-N 1 2 329.625 4.077 50 0 EIAALO Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1F ZINC000012796250 563672744 /nfs/dbraw/zinc/67/27/44/563672744.db2.gz BPKTXZXSGIEHBH-LBPRGKRZSA-N 1 2 347.459 4.075 50 0 EIAALO Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1F ZINC000012796250 563672746 /nfs/dbraw/zinc/67/27/46/563672746.db2.gz BPKTXZXSGIEHBH-LBPRGKRZSA-N 1 2 347.459 4.075 50 0 EIAALO c1[nH]c2ccccc2c1-c1nnc(SCc2cn3ccccc3[nH+]2)o1 ZINC000013110701 563688137 /nfs/dbraw/zinc/68/81/37/563688137.db2.gz IAUUCTVVNDQFFL-UHFFFAOYSA-N 1 2 347.403 4.158 50 0 EIAALO Cc1cc(N(C)CC(=O)Nc2cccc3ccccc32)nc(C(C)C)[nH+]1 ZINC000032717192 563699537 /nfs/dbraw/zinc/69/95/37/563699537.db2.gz LTGKPZXVUWFHLG-UHFFFAOYSA-N 1 2 348.450 4.137 50 0 EIAALO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(C(C)=O)ccc1OC ZINC000015037428 563773860 /nfs/dbraw/zinc/77/38/60/563773860.db2.gz RIJSKCDRZXILFA-QGZVFWFLSA-N 1 2 329.465 4.469 50 0 EIAALO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(C(C)=O)ccc1OC ZINC000015037428 563773864 /nfs/dbraw/zinc/77/38/64/563773864.db2.gz RIJSKCDRZXILFA-QGZVFWFLSA-N 1 2 329.465 4.469 50 0 EIAALO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccsc2)cc1 ZINC000015370666 563784000 /nfs/dbraw/zinc/78/40/00/563784000.db2.gz HYYOJYIKLANYCP-MRXNPFEDSA-N 1 2 344.524 4.256 50 0 EIAALO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccsc2)cc1 ZINC000015370666 563784003 /nfs/dbraw/zinc/78/40/03/563784003.db2.gz HYYOJYIKLANYCP-MRXNPFEDSA-N 1 2 344.524 4.256 50 0 EIAALO Cc1cc(C)c(NC(=O)[C@H](C)Sc2[nH+]cc3ccccn32)c(C)c1 ZINC000026372599 563891186 /nfs/dbraw/zinc/89/11/86/563891186.db2.gz CQACLAGNADHSGN-HNNXBMFYSA-N 1 2 339.464 4.379 50 0 EIAALO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 ZINC000030028997 563909402 /nfs/dbraw/zinc/90/94/02/563909402.db2.gz DIYWWBNBXYNLAM-KRWDZBQOSA-N 1 2 349.261 4.122 50 0 EIAALO C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 ZINC000030028997 563909403 /nfs/dbraw/zinc/90/94/03/563909403.db2.gz DIYWWBNBXYNLAM-KRWDZBQOSA-N 1 2 349.261 4.122 50 0 EIAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccccc1 ZINC000030643381 563910178 /nfs/dbraw/zinc/91/01/78/563910178.db2.gz QYKFJHXEZIHLAK-NRFANRHFSA-N 1 2 327.431 4.453 50 0 EIAALO Brc1ccc([C@@H]([NH2+]Cc2ccon2)c2ccccc2)cc1 ZINC000072293928 563910731 /nfs/dbraw/zinc/91/07/31/563910731.db2.gz WKWBEPHRGHDDOC-KRWDZBQOSA-N 1 2 343.224 4.316 50 0 EIAALO C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(-c2ccccc2)cc1 ZINC000058300418 563941989 /nfs/dbraw/zinc/94/19/89/563941989.db2.gz GLSXZYSRYUNKED-MRXNPFEDSA-N 1 2 341.414 4.492 50 0 EIAALO O=C1C[C@H](Cn2c[nH+]c(-c3ccccc3)c2C2CC2)CN1C1CCCC1 ZINC000065383941 563959166 /nfs/dbraw/zinc/95/91/66/563959166.db2.gz QSNVGDRHOGQRBR-MRXNPFEDSA-N 1 2 349.478 4.219 50 0 EIAALO Cc1nc(CCn2cc[nH+]c2-c2ccnc3ccccc32)sc1C ZINC000071419370 563964371 /nfs/dbraw/zinc/96/43/71/563964371.db2.gz ZRLVLUYOMSVZIF-UHFFFAOYSA-N 1 2 334.448 4.414 50 0 EIAALO CC(C)c1cc(Cn2cc[nH+]c2-c2cc3c(cc2Cl)OCO3)on1 ZINC000071746447 563964955 /nfs/dbraw/zinc/96/49/55/563964955.db2.gz JFZMVFLIKHGZHW-UHFFFAOYSA-N 1 2 345.786 4.092 50 0 EIAALO Oc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000071751697 563965185 /nfs/dbraw/zinc/96/51/85/563965185.db2.gz JELJQMFQTAUVQB-KRWDZBQOSA-N 1 2 338.234 4.273 50 0 EIAALO Oc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000071751697 563965186 /nfs/dbraw/zinc/96/51/86/563965186.db2.gz JELJQMFQTAUVQB-KRWDZBQOSA-N 1 2 338.234 4.273 50 0 EIAALO CCCn1cnnc1Cn1cc[nH+]c1-c1c(C)sc2ccccc21 ZINC000071762224 563965352 /nfs/dbraw/zinc/96/53/52/563965352.db2.gz QXOCELPTTVDJFZ-UHFFFAOYSA-N 1 2 337.452 4.123 50 0 EIAALO Cc1nc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc(C(C)C)[nH+]1 ZINC000071762773 563965423 /nfs/dbraw/zinc/96/54/23/563965423.db2.gz PUNQZVWYRDDFDR-QGZVFWFLSA-N 1 2 331.847 4.140 50 0 EIAALO O=C(c1cccc(-c2ccccc2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077386421 563969313 /nfs/dbraw/zinc/96/93/13/563969313.db2.gz MWWMWQSBYFHTKH-IBGZPJMESA-N 1 2 331.419 4.097 50 0 EIAALO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000077505133 563970085 /nfs/dbraw/zinc/97/00/85/563970085.db2.gz JHDMXZQXZUMTCJ-UHFFFAOYSA-N 1 2 346.409 4.255 50 0 EIAALO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000077505133 563970086 /nfs/dbraw/zinc/97/00/86/563970086.db2.gz JHDMXZQXZUMTCJ-UHFFFAOYSA-N 1 2 346.409 4.255 50 0 EIAALO C[N@@H+](Cc1coc(-c2ccccc2)n1)Cc1cc(-c2cccnc2)no1 ZINC000077565541 563970389 /nfs/dbraw/zinc/97/03/89/563970389.db2.gz QPOMPANRLVWCSK-UHFFFAOYSA-N 1 2 346.390 4.024 50 0 EIAALO C[N@H+](Cc1coc(-c2ccccc2)n1)Cc1cc(-c2cccnc2)no1 ZINC000077565541 563970390 /nfs/dbraw/zinc/97/03/90/563970390.db2.gz QPOMPANRLVWCSK-UHFFFAOYSA-N 1 2 346.390 4.024 50 0 EIAALO Cc1nnc(C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)s1 ZINC000097057261 563971855 /nfs/dbraw/zinc/97/18/55/563971855.db2.gz RDXPDTHMXCTUOQ-SNVBAGLBSA-N 1 2 330.482 4.129 50 0 EIAALO CC[C@@H](c1cnn(C)c1)n1cc[nH+]c1-c1cc(F)c(OC)c(Cl)c1 ZINC000082087867 563972039 /nfs/dbraw/zinc/97/20/39/563972039.db2.gz KHONZDHTUSDFQW-HNNXBMFYSA-N 1 2 348.809 4.084 50 0 EIAALO COc1cc(C)[nH+]c2ccc(NC(=O)Nc3ccc(F)cc3)cc21 ZINC000033278713 563972857 /nfs/dbraw/zinc/97/28/57/563972857.db2.gz CYMBZMMDCOIKOS-UHFFFAOYSA-N 1 2 325.343 4.335 50 0 EIAALO CCn1c[nH+]cc1CNC(=O)C[C@H](c1ccccc1)c1ccccc1C ZINC000095508204 563977193 /nfs/dbraw/zinc/97/71/93/563977193.db2.gz AYXWSURTRQAODG-OAQYLSRUSA-N 1 2 347.462 4.050 50 0 EIAALO Cc1[nH]c2ccc(NC(=O)N3CCCC[C@@H]3c3cccnc3)cc2[nH+]1 ZINC000096137769 563979455 /nfs/dbraw/zinc/97/94/55/563979455.db2.gz ZTRXKXZWRYZNOJ-GOSISDBHSA-N 1 2 335.411 4.025 50 0 EIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N(C)Cc2ccccc2)c(C)c1 ZINC000000426427 563999045 /nfs/dbraw/zinc/99/90/45/563999045.db2.gz 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CO[C@@H](C)c1nc(C[NH2+]C2(c3nc(C)cs3)CCCC2)cs1 ZINC000083225677 564062731 /nfs/dbraw/zinc/06/27/31/564062731.db2.gz FCDMQZRDTSGRFW-LBPRGKRZSA-N 1 2 337.514 4.175 50 0 EIAALO Cc1nc2ccc(NC(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)cc2s1 ZINC000084290384 564067697 /nfs/dbraw/zinc/06/76/97/564067697.db2.gz WCUGPPCVOCIWTJ-AWEZNQCLSA-N 1 2 341.440 4.087 50 0 EIAALO O=C(Nc1ccc(-c2c[nH+]c3n2CCC3)cc1)c1ccc(Cl)s1 ZINC000085556849 564073975 /nfs/dbraw/zinc/07/39/75/564073975.db2.gz JQSPDXJDJWLEJU-UHFFFAOYSA-N 1 2 343.839 4.464 50 0 EIAALO CCSCc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000088390605 564079045 /nfs/dbraw/zinc/07/90/45/564079045.db2.gz UZPHMSIOUDEHNE-MRXNPFEDSA-N 1 2 344.484 4.422 50 0 EIAALO O=C(COc1ccc(Oc2cc[nH+]cc2)cc1)Nc1cccc(F)c1 ZINC000075109619 564080233 /nfs/dbraw/zinc/08/02/33/564080233.db2.gz APOHUFFFEWULIM-UHFFFAOYSA-N 1 2 338.338 4.031 50 0 EIAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000575617229 564083535 /nfs/dbraw/zinc/08/35/35/564083535.db2.gz 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/nfs/dbraw/zinc/14/46/12/564144612.db2.gz LIAHNMYMRJPZST-OAHLLOKOSA-N 1 2 345.493 4.384 50 0 EIAALO Cc1ccc(NC(=O)N(Cc2c[nH+]c3ccccn23)C2CC2)cc1C ZINC000096097137 564145172 /nfs/dbraw/zinc/14/51/72/564145172.db2.gz IKFFFCZSMJLELM-UHFFFAOYSA-N 1 2 334.423 4.148 50 0 EIAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](C/C=C\Cl)CC2 ZINC000096129570 564145740 /nfs/dbraw/zinc/14/57/40/564145740.db2.gz WQYVZGUFTQCEPQ-NCRRVARUSA-N 1 2 349.883 4.465 50 0 EIAALO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](C/C=C\Cl)CC2 ZINC000096129570 564145741 /nfs/dbraw/zinc/14/57/41/564145741.db2.gz WQYVZGUFTQCEPQ-NCRRVARUSA-N 1 2 349.883 4.465 50 0 EIAALO Cc1cccc(/C=C\C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000096401628 564147112 /nfs/dbraw/zinc/14/71/12/564147112.db2.gz LSAASAURDMKHCA-BENRWUELSA-N 1 2 349.478 4.100 50 0 EIAALO CCn1c(C)[nH+]c2cc(-c3nnc4n3-c3ccccc3SC4)ccc21 ZINC000002638048 564151598 /nfs/dbraw/zinc/15/15/98/564151598.db2.gz QYAMSSWSSQPGGM-UHFFFAOYSA-N 1 2 347.447 4.218 50 0 EIAALO CSc1nnc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)s1 ZINC000069658425 564171285 /nfs/dbraw/zinc/17/12/85/564171285.db2.gz ACOLSAWPYLHNEZ-UHFFFAOYSA-N 1 2 325.890 4.082 50 0 EIAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3Cl)n2)cn1 ZINC000071797107 564175432 /nfs/dbraw/zinc/17/54/32/564175432.db2.gz LOHOXHVUWRQTMA-KRWDZBQOSA-N 1 2 342.830 4.066 50 0 EIAALO Cn1cc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccccc3Cl)n2)cn1 ZINC000071797107 564175433 /nfs/dbraw/zinc/17/54/33/564175433.db2.gz LOHOXHVUWRQTMA-KRWDZBQOSA-N 1 2 342.830 4.066 50 0 EIAALO CC(C)c1nnc(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)o1 ZINC000071867500 564176150 /nfs/dbraw/zinc/17/61/50/564176150.db2.gz KZGFNPMIHONIBK-UHFFFAOYSA-N 1 2 339.361 4.376 50 0 EIAALO CC(C)c1nnc(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)o1 ZINC000071867500 564176151 /nfs/dbraw/zinc/17/61/51/564176151.db2.gz KZGFNPMIHONIBK-UHFFFAOYSA-N 1 2 339.361 4.376 50 0 EIAALO CCCCN(CCCC)c1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000002956999 1027318485 /nfs/dbraw/zinc/31/84/85/1027318485.db2.gz CFDOUGOBOBCNBX-UHFFFAOYSA-N 1 2 337.471 4.281 50 0 EIAALO c1sc(C2CCCCC2)nc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152213155 1042715823 /nfs/dbraw/zinc/71/58/23/1042715823.db2.gz JPTFPNRZTYXULJ-GOSISDBHSA-N 1 2 343.496 4.239 50 0 EIAALO c1sc(C2CCCCC2)nc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152213155 1042715827 /nfs/dbraw/zinc/71/58/27/1042715827.db2.gz JPTFPNRZTYXULJ-GOSISDBHSA-N 1 2 343.496 4.239 50 0 EIAALO FC(F)(F)c1ccc2oc(C[N@H+](Cc3ccccn3)C3CC3)nc2c1 ZINC000180863275 1049955021 /nfs/dbraw/zinc/95/50/21/1049955021.db2.gz NVXNRQCYNISCIQ-UHFFFAOYSA-N 1 2 347.340 4.406 50 0 EIAALO FC(F)(F)c1ccc2oc(C[N@@H+](Cc3ccccn3)C3CC3)nc2c1 ZINC000180863275 1049955031 /nfs/dbraw/zinc/95/50/31/1049955031.db2.gz NVXNRQCYNISCIQ-UHFFFAOYSA-N 1 2 347.340 4.406 50 0 EIAALO Cc1cc(C)c(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000056520347 214378051 /nfs/dbraw/zinc/37/80/51/214378051.db2.gz YGLPXCUBYAGLQL-UHFFFAOYSA-N 1 2 334.423 4.119 50 0 EIAALO Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000004354897 210178988 /nfs/dbraw/zinc/17/89/88/210178988.db2.gz LVLTWXBDJJNVNL-UHFFFAOYSA-N 1 2 329.407 4.044 50 0 EIAALO c1cn(CCCNc2ncnc3scc(-c4ccccc4)c32)c[nH+]1 ZINC000004299607 210163279 /nfs/dbraw/zinc/16/32/79/210163279.db2.gz SVJQOANWTBBFRN-UHFFFAOYSA-N 1 2 335.436 4.057 50 0 EIAALO C[C@@H](c1cncs1)[N@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067842792 215227288 /nfs/dbraw/zinc/22/72/88/215227288.db2.gz NLUGHSNEJUWNRD-AWEZNQCLSA-N 1 2 349.463 4.046 50 0 EIAALO C[C@@H](c1cncs1)[N@@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067842792 215227291 /nfs/dbraw/zinc/22/72/91/215227291.db2.gz NLUGHSNEJUWNRD-AWEZNQCLSA-N 1 2 349.463 4.046 50 0 EIAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](Cc1ccncc1)CCO2 ZINC000067871777 215235912 /nfs/dbraw/zinc/23/59/12/215235912.db2.gz CGSZBTOTOXIEDU-UHFFFAOYSA-N 1 2 346.430 4.157 50 0 EIAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](Cc1ccncc1)CCO2 ZINC000067871777 215235917 /nfs/dbraw/zinc/23/59/17/215235917.db2.gz CGSZBTOTOXIEDU-UHFFFAOYSA-N 1 2 346.430 4.157 50 0 EIAALO CC(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1[nH]cc[nH+]1 ZINC000225837996 535100207 /nfs/dbraw/zinc/10/02/07/535100207.db2.gz IVZGRIQJMIMVFX-LBPRGKRZSA-N 1 2 327.215 4.235 50 0 EIAALO Clc1ccc2oc(C3CC[NH+](Cc4cscn4)CC3)nc2c1 ZINC000069349488 215383898 /nfs/dbraw/zinc/38/38/98/215383898.db2.gz VESKZKLYGGNWGC-UHFFFAOYSA-N 1 2 333.844 4.317 50 0 EIAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(Br)ccc2F)on1 ZINC000035511230 213035442 /nfs/dbraw/zinc/03/54/42/213035442.db2.gz TXMQTTXMBOIKEK-CQSZACIVSA-N 1 2 339.208 4.222 50 0 EIAALO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(Br)ccc2F)on1 ZINC000035511230 213035444 /nfs/dbraw/zinc/03/54/44/213035444.db2.gz TXMQTTXMBOIKEK-CQSZACIVSA-N 1 2 339.208 4.222 50 0 EIAALO FC(F)(F)c1cccc2c(N3CC(c4ccncc4)C3)cc[nH+]c21 ZINC000072131971 216021095 /nfs/dbraw/zinc/02/10/95/216021095.db2.gz GWBMKXITJXPCTQ-UHFFFAOYSA-N 1 2 329.325 4.252 50 0 EIAALO CSc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000030644419 212704473 /nfs/dbraw/zinc/70/44/73/212704473.db2.gz YMXLZPRLOCGPSR-GOSISDBHSA-N 1 2 341.455 4.160 50 0 EIAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cc(Cl)ccn1 ZINC000022581229 212308892 /nfs/dbraw/zinc/30/88/92/212308892.db2.gz RCVMXDASTUBRPY-UHFFFAOYSA-N 1 2 340.814 4.063 50 0 EIAALO c1csc([C@H]2CCC[N@H+]2Cc2cnc(C3CCCCC3)nc2)n1 ZINC000215911619 241152433 /nfs/dbraw/zinc/15/24/33/241152433.db2.gz IDGWDROABMZPEE-MRXNPFEDSA-N 1 2 328.485 4.318 50 0 EIAALO c1csc([C@H]2CCC[N@@H+]2Cc2cnc(C3CCCCC3)nc2)n1 ZINC000215911619 241152441 /nfs/dbraw/zinc/15/24/41/241152441.db2.gz IDGWDROABMZPEE-MRXNPFEDSA-N 1 2 328.485 4.318 50 0 EIAALO Fc1ccc(C[N@@H+]2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)cc1 ZINC000215667706 241135958 /nfs/dbraw/zinc/13/59/58/241135958.db2.gz ZKPFXNUARBIRBZ-UHFFFAOYSA-N 1 2 341.817 4.428 50 0 EIAALO Fc1ccc(C[N@H+]2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)cc1 ZINC000215667706 241135961 /nfs/dbraw/zinc/13/59/61/241135961.db2.gz ZKPFXNUARBIRBZ-UHFFFAOYSA-N 1 2 341.817 4.428 50 0 EIAALO Cn1ncc2c1nc[nH+]c2SCCC12CC3CC(CC(C3)C1)C2 ZINC000021754506 212247580 /nfs/dbraw/zinc/24/75/80/212247580.db2.gz MEYVHJOUVZULKV-UHFFFAOYSA-N 1 2 328.485 4.062 50 0 EIAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000021579512 212233145 /nfs/dbraw/zinc/23/31/45/212233145.db2.gz LXOFWEJPRZKBLA-OAHLLOKOSA-N 1 2 340.858 4.212 50 0 EIAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCn2cccc2[C@H]1C ZINC000021579512 212233148 /nfs/dbraw/zinc/23/31/48/212233148.db2.gz LXOFWEJPRZKBLA-OAHLLOKOSA-N 1 2 340.858 4.212 50 0 EIAALO Cc1ccccc1Cc1noc(Cn2c3ccccc3[nH+]c2C(C)C)n1 ZINC000020916601 212186743 /nfs/dbraw/zinc/18/67/43/212186743.db2.gz XVOSXFGDWMLWMR-UHFFFAOYSA-N 1 2 346.434 4.490 50 0 EIAALO Clc1cccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019823828 212072913 /nfs/dbraw/zinc/07/29/13/212072913.db2.gz HLIMUQIEGKOIML-WEVVVXLNSA-N 1 2 326.871 4.171 50 0 EIAALO CCCCOc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019634768 212052257 /nfs/dbraw/zinc/05/22/57/212052257.db2.gz HQNQCQQZWCQYMI-UHFFFAOYSA-N 1 2 338.495 4.183 50 0 EIAALO COc1cccc(C[NH+]2CCN(Cc3ccc4ccccc4c3)CC2)c1 ZINC000019360241 212021122 /nfs/dbraw/zinc/02/11/22/212021122.db2.gz QPOFHUPNONBSEE-UHFFFAOYSA-N 1 2 346.474 4.166 50 0 EIAALO c1cncc([C@H]2CCCCN2C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000019318743 212015159 /nfs/dbraw/zinc/01/51/59/212015159.db2.gz KFIPVCUMEJOXQF-OYRHEFFESA-N 1 2 336.483 4.188 50 0 biogenic EIAALO c1cncc([C@H]2CCCCN2C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000019318743 212015162 /nfs/dbraw/zinc/01/51/62/212015162.db2.gz KFIPVCUMEJOXQF-OYRHEFFESA-N 1 2 336.483 4.188 50 0 biogenic EIAALO c1cncc([C@H]2CCCC[N@H+]2CN2CCCC[C@H]2c2cccnc2)c1 ZINC000019318743 212015165 /nfs/dbraw/zinc/01/51/65/212015165.db2.gz KFIPVCUMEJOXQF-OYRHEFFESA-N 1 2 336.483 4.188 50 0 biogenic EIAALO c1cncc([C@H]2CCCC[N@@H+]2CN2CCCC[C@H]2c2cccnc2)c1 ZINC000019318743 212015167 /nfs/dbraw/zinc/01/51/67/212015167.db2.gz KFIPVCUMEJOXQF-OYRHEFFESA-N 1 2 336.483 4.188 50 0 biogenic EIAALO CCn1ccnc1C[N@H+](C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000019147802 212002040 /nfs/dbraw/zinc/00/20/40/212002040.db2.gz HWMKQARJWRUGBL-UHFFFAOYSA-N 1 2 345.450 4.078 50 0 EIAALO CCn1ccnc1C[N@@H+](C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000019147802 212002042 /nfs/dbraw/zinc/00/20/42/212002042.db2.gz HWMKQARJWRUGBL-UHFFFAOYSA-N 1 2 345.450 4.078 50 0 EIAALO CCn1cc[nH+]c1CN(C)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000019147802 212002045 /nfs/dbraw/zinc/00/20/45/212002045.db2.gz HWMKQARJWRUGBL-UHFFFAOYSA-N 1 2 345.450 4.078 50 0 EIAALO C[C@@H](Nc1cncc(Br)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000078569715 217078485 /nfs/dbraw/zinc/07/84/85/217078485.db2.gz BIKBNWRSJISWTM-GFCCVEGCSA-N 1 2 343.228 4.203 50 0 EIAALO CC(C)CC(=O)Nc1ccc2c(c1)[nH+]c(CCc1ccccc1)n2C ZINC000015863834 211863142 /nfs/dbraw/zinc/86/31/42/211863142.db2.gz RNEKWQLSVSFTMW-UHFFFAOYSA-N 1 2 335.451 4.343 50 0 EIAALO c1cc(-c2noc(C[N@@H+]3CCc4sccc4[C@H]3C3CC3)n2)cs1 ZINC000012758507 211448802 /nfs/dbraw/zinc/44/88/02/211448802.db2.gz WOFRAWJSHIIYHY-MRXNPFEDSA-N 1 2 343.477 4.369 50 0 EIAALO c1cc(-c2noc(C[N@H+]3CCc4sccc4[C@H]3C3CC3)n2)cs1 ZINC000012758507 211448807 /nfs/dbraw/zinc/44/88/07/211448807.db2.gz WOFRAWJSHIIYHY-MRXNPFEDSA-N 1 2 343.477 4.369 50 0 EIAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cccc3cnccc32)CC1 ZINC000091830792 218073088 /nfs/dbraw/zinc/07/30/88/218073088.db2.gz HMZGNRRGZOEVBZ-UHFFFAOYSA-N 1 2 348.450 4.032 50 0 EIAALO Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)c(F)c1F ZINC000092077454 218115940 /nfs/dbraw/zinc/11/59/40/218115940.db2.gz AJTIORQEFRXWOU-UHFFFAOYSA-N 1 2 347.409 4.070 50 0 EIAALO CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2cn3ccccc3[nH+]2)C1 ZINC000092038893 218109726 /nfs/dbraw/zinc/10/97/26/218109726.db2.gz WQQNHAWZCZMFDB-HXUWFJFHSA-N 1 2 325.456 4.209 50 0 EIAALO O=C(C[N@H+]1CCc2sccc2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000010341021 211167932 /nfs/dbraw/zinc/16/79/32/211167932.db2.gz KSTKUCIAUDNHQK-UHFFFAOYSA-N 1 2 341.263 4.052 50 0 EIAALO O=C(C[N@@H+]1CCc2sccc2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000010341021 211167925 /nfs/dbraw/zinc/16/79/25/211167925.db2.gz KSTKUCIAUDNHQK-UHFFFAOYSA-N 1 2 341.263 4.052 50 0 EIAALO C[N@H+](Cc1cnc(C2CCCC2)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000093711750 218243884 /nfs/dbraw/zinc/24/38/84/218243884.db2.gz HKCIGBIYVFNCMQ-QHCPKHFHSA-N 1 2 348.537 4.170 50 0 EIAALO C[N@@H+](Cc1cnc(C2CCCC2)s1)Cc1ccc([S@@](C)=O)cc1 ZINC000093711750 218243886 /nfs/dbraw/zinc/24/38/86/218243886.db2.gz HKCIGBIYVFNCMQ-QHCPKHFHSA-N 1 2 348.537 4.170 50 0 EIAALO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000008940142 211021640 /nfs/dbraw/zinc/02/16/40/211021640.db2.gz QUOORQRBPDMIDV-CABCVRRESA-N 1 2 337.423 4.465 50 0 EIAALO CSc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)cc1 ZINC000095378560 218311330 /nfs/dbraw/zinc/31/13/30/218311330.db2.gz LLOVULBLQHXEJO-INIZCTEOSA-N 1 2 343.496 4.206 50 0 EIAALO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000008754100 211000681 /nfs/dbraw/zinc/00/06/81/211000681.db2.gz BPOHKINPKBBADN-LLVKDONJSA-N 1 2 341.238 4.354 50 0 EIAALO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000008754100 211000684 /nfs/dbraw/zinc/00/06/84/211000684.db2.gz BPOHKINPKBBADN-LLVKDONJSA-N 1 2 341.238 4.354 50 0 EIAALO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000095423697 218366363 /nfs/dbraw/zinc/36/63/63/218366363.db2.gz CLJPYLSYYQAALQ-ZIAGYGMSSA-N 1 2 348.903 4.156 50 0 EIAALO C[N@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1cnc2ccccc2n1 ZINC000097600994 219038823 /nfs/dbraw/zinc/03/88/23/219038823.db2.gz IYPQNURZTXNFCY-LJQANCHMSA-N 1 2 337.423 4.096 50 0 EIAALO C[N@@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1cnc2ccccc2n1 ZINC000097600994 219038826 /nfs/dbraw/zinc/03/88/26/219038826.db2.gz IYPQNURZTXNFCY-LJQANCHMSA-N 1 2 337.423 4.096 50 0 EIAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc2ccccc2s1 ZINC000029027535 526665598 /nfs/dbraw/zinc/66/55/98/526665598.db2.gz UEVPUHZTEJYJMK-UHFFFAOYSA-N 1 2 347.443 4.076 50 0 EIAALO CC(C)c1nc(N2CCC(c3ccnn3C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000170610843 528291918 /nfs/dbraw/zinc/29/19/18/528291918.db2.gz FBCYGOGLLUGEJB-UHFFFAOYSA-N 1 2 341.503 4.015 50 0 EIAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccc(O)cc1 ZINC000000071941 563215853 /nfs/dbraw/zinc/21/58/53/563215853.db2.gz IWGUVRGRVNTQIM-UHFFFAOYSA-N 1 2 336.391 4.478 50 0 EIAALO Cc1ccc(Cl)c(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000000243128 563265257 /nfs/dbraw/zinc/26/52/57/563265257.db2.gz AGJJHWAJNKGRRD-OAHLLOKOSA-N 1 2 344.842 4.055 50 0 EIAALO Cc1ccc(Cl)c(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000000243131 563265451 /nfs/dbraw/zinc/26/54/51/563265451.db2.gz AGJJHWAJNKGRRD-HNNXBMFYSA-N 1 2 344.842 4.055 50 0 EIAALO CCCCS(=O)(=O)Nc1ccc2c(c1)[nH+]cn2C1CCCCC1 ZINC000006467624 563568750 /nfs/dbraw/zinc/56/87/50/563568750.db2.gz KLEMSSSVSLEGOD-UHFFFAOYSA-N 1 2 335.473 4.083 50 0 EIAALO COc1cccc(C[N@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000007679147 563610161 /nfs/dbraw/zinc/61/01/61/563610161.db2.gz BGOPUQBRKQAHJU-UHFFFAOYSA-N 1 2 343.814 4.031 50 0 EIAALO COc1cccc(C[N@@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000007679147 563610165 /nfs/dbraw/zinc/61/01/65/563610165.db2.gz BGOPUQBRKQAHJU-UHFFFAOYSA-N 1 2 343.814 4.031 50 0 EIAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012796224 563672791 /nfs/dbraw/zinc/67/27/91/563672791.db2.gz CJJYOEBSCZXWCV-GFCCVEGCSA-N 1 2 349.887 4.281 50 0 EIAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000012796224 563672793 /nfs/dbraw/zinc/67/27/93/563672793.db2.gz CJJYOEBSCZXWCV-GFCCVEGCSA-N 1 2 349.887 4.281 50 0 EIAALO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000071954377 563854461 /nfs/dbraw/zinc/85/44/61/563854461.db2.gz GCMPGUVPAXKEHT-CQSZACIVSA-N 1 2 348.849 4.131 50 0 EIAALO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000071954377 563854465 /nfs/dbraw/zinc/85/44/65/563854465.db2.gz GCMPGUVPAXKEHT-CQSZACIVSA-N 1 2 348.849 4.131 50 0 EIAALO Cc1nc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)nc2ccccc12 ZINC000025060232 563880602 /nfs/dbraw/zinc/88/06/02/563880602.db2.gz IBFBPWNYVIIKGW-UHFFFAOYSA-N 1 2 345.446 4.033 50 0 EIAALO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000030028996 563909369 /nfs/dbraw/zinc/90/93/69/563909369.db2.gz DIYWWBNBXYNLAM-QGZVFWFLSA-N 1 2 349.261 4.122 50 0 EIAALO C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000030028996 563909370 /nfs/dbraw/zinc/90/93/70/563909370.db2.gz DIYWWBNBXYNLAM-QGZVFWFLSA-N 1 2 349.261 4.122 50 0 EIAALO C[N@@H+]1CCN(C(=O)c2cc3ccccc3s2)[C@@H](c2ccccc2)C1 ZINC000030029886 563909399 /nfs/dbraw/zinc/90/93/99/563909399.db2.gz BYHZXLKMNZTBPA-QGZVFWFLSA-N 1 2 336.460 4.030 50 0 EIAALO C[N@H+]1CCN(C(=O)c2cc3ccccc3s2)[C@@H](c2ccccc2)C1 ZINC000030029886 563909400 /nfs/dbraw/zinc/90/94/00/563909400.db2.gz BYHZXLKMNZTBPA-QGZVFWFLSA-N 1 2 336.460 4.030 50 0 EIAALO CN(C)c1cc(NC(=O)C23C[C@@H]4CC(C[C@H]4C2)C3)c2ccccc2[nH+]1 ZINC000022589614 563918512 /nfs/dbraw/zinc/91/85/12/563918512.db2.gz XBXDCLDEVFFGEN-CELYABABSA-N 1 2 335.451 4.066 50 0 EIAALO O=C(C1CCCCC1)N1CCC(Nc2ccc3ccccc3[nH+]2)CC1 ZINC000057996249 563936401 /nfs/dbraw/zinc/93/64/01/563936401.db2.gz JWIGPQTUYCVPMA-UHFFFAOYSA-N 1 2 337.467 4.218 50 0 EIAALO COc1ccc(C[N@H+](C)Cn2ccn(C(C)(C)C)c2=S)cc1F ZINC000058175062 563939099 /nfs/dbraw/zinc/93/90/99/563939099.db2.gz ALSCTNFIENKXKM-UHFFFAOYSA-N 1 2 337.464 4.011 50 0 EIAALO COc1ccc(C[N@@H+](C)Cn2ccn(C(C)(C)C)c2=S)cc1F ZINC000058175062 563939101 /nfs/dbraw/zinc/93/91/01/563939101.db2.gz ALSCTNFIENKXKM-UHFFFAOYSA-N 1 2 337.464 4.011 50 0 EIAALO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000058198017 563939569 /nfs/dbraw/zinc/93/95/69/563939569.db2.gz PBCDUTCQPZBBHU-CQSZACIVSA-N 1 2 347.418 4.252 50 0 EIAALO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000058198017 563939571 /nfs/dbraw/zinc/93/95/71/563939571.db2.gz PBCDUTCQPZBBHU-CQSZACIVSA-N 1 2 347.418 4.252 50 0 EIAALO Cc1[nH]c2ccc(CNC(=O)c3ccccc3-c3[nH]cc[nH+]3)cc2c1C ZINC000071613915 563964627 /nfs/dbraw/zinc/96/46/27/563964627.db2.gz UZTVEDFUGOQFQT-UHFFFAOYSA-N 1 2 344.418 4.105 50 0 EIAALO Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000071751698 563965176 /nfs/dbraw/zinc/96/51/76/563965176.db2.gz JELJQMFQTAUVQB-QGZVFWFLSA-N 1 2 338.234 4.273 50 0 EIAALO Oc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000071751698 563965177 /nfs/dbraw/zinc/96/51/77/563965177.db2.gz JELJQMFQTAUVQB-QGZVFWFLSA-N 1 2 338.234 4.273 50 0 EIAALO Fc1c[nH+]ccc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071774655 563965690 /nfs/dbraw/zinc/96/56/90/563965690.db2.gz ITUWYMVJGZSMJA-HNNXBMFYSA-N 1 2 327.186 4.105 50 0 EIAALO Cc1nc([C@H](C)[N@H+](C)Cc2cc(-c3ccccn3)no2)c(C)s1 ZINC000077298795 563968784 /nfs/dbraw/zinc/96/87/84/563968784.db2.gz GSXJYKGZBNNPRL-NSHDSACASA-N 1 2 328.441 4.003 50 0 EIAALO Cc1nc([C@H](C)[N@@H+](C)Cc2cc(-c3ccccn3)no2)c(C)s1 ZINC000077298795 563968785 /nfs/dbraw/zinc/96/87/85/563968785.db2.gz GSXJYKGZBNNPRL-NSHDSACASA-N 1 2 328.441 4.003 50 0 EIAALO Cc1cc(-n2cccn2)ccc1-c1[nH+]ccn1[C@H]1COC2(CCCC2)C1 ZINC000082136904 563972589 /nfs/dbraw/zinc/97/25/89/563972589.db2.gz PUZRLHRDDXDZDE-GOSISDBHSA-N 1 2 348.450 4.318 50 0 EIAALO Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)s1 ZINC000095511126 563977277 /nfs/dbraw/zinc/97/72/77/563977277.db2.gz JOVPZXZKUWASLX-UHFFFAOYSA-N 1 2 343.496 4.073 50 0 EIAALO CCc1[nH]c2ccc(NC(=O)N(C)[C@H](C)c3nc(C)cs3)cc2[nH+]1 ZINC000097117023 563981314 /nfs/dbraw/zinc/98/13/14/563981314.db2.gz VDXJISHWTPNELP-LLVKDONJSA-N 1 2 343.456 4.115 50 0 EIAALO Nc1c(Cl)cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000024050243 563991604 /nfs/dbraw/zinc/99/16/04/563991604.db2.gz DJQXZFVDQBRVIZ-UHFFFAOYSA-N 1 2 347.205 4.014 50 0 EIAALO COc1cccc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000179069205 563996912 /nfs/dbraw/zinc/99/69/12/563996912.db2.gz BODKPIWOHUJAAJ-IBGZPJMESA-N 1 2 339.826 4.018 50 0 EIAALO C[C@@H](NC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000253419780 563999178 /nfs/dbraw/zinc/99/91/78/563999178.db2.gz IGUHDHLVAMVZBW-FZKQIMNGSA-N 1 2 346.471 4.148 50 0 EIAALO C[C@@H](NC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000253419780 563999179 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/nfs/dbraw/zinc/87/32/09/563873209.db2.gz VFSSGGZFLDUDIN-UHFFFAOYSA-N 1 2 339.464 4.227 50 0 EIAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NC1CCCC1 ZINC000028405991 563902831 /nfs/dbraw/zinc/90/28/31/563902831.db2.gz VWJBOSDZDXEJNO-UHFFFAOYSA-N 1 2 327.819 4.132 50 0 EIAALO Cc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1C ZINC000028683205 563903677 /nfs/dbraw/zinc/90/36/77/563903677.db2.gz ARKKMJGADOKCGN-CYBMUJFWSA-N 1 2 343.496 4.244 50 0 EIAALO Cc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1C ZINC000028683205 563903679 /nfs/dbraw/zinc/90/36/79/563903679.db2.gz ARKKMJGADOKCGN-CYBMUJFWSA-N 1 2 343.496 4.244 50 0 EIAALO Cc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1C ZINC000028683207 563903766 /nfs/dbraw/zinc/90/37/66/563903766.db2.gz ARKKMJGADOKCGN-ZDUSSCGKSA-N 1 2 343.496 4.244 50 0 EIAALO Cc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1C ZINC000028683207 563903768 /nfs/dbraw/zinc/90/37/68/563903768.db2.gz ARKKMJGADOKCGN-ZDUSSCGKSA-N 1 2 343.496 4.244 50 0 EIAALO 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CCN(C(C)=O)c1nc(C[N@H+](C)[C@H](C)c2ccc(C)s2)cs1 ZINC000048353990 564031299 /nfs/dbraw/zinc/03/12/99/564031299.db2.gz JXPUHWWDJKSHPC-GFCCVEGCSA-N 1 2 337.514 4.079 50 0 EIAALO CCN(C(C)=O)c1nc(C[N@@H+](C)[C@H](C)c2ccc(C)s2)cs1 ZINC000048353990 564031300 /nfs/dbraw/zinc/03/13/00/564031300.db2.gz JXPUHWWDJKSHPC-GFCCVEGCSA-N 1 2 337.514 4.079 50 0 EIAALO CC[C@H](NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC)c1cccs1 ZINC000239637133 564051660 /nfs/dbraw/zinc/05/16/60/564051660.db2.gz BJADIHHUXHXIOK-LSDHHAIUSA-N 1 2 346.500 4.352 50 0 EIAALO C(=C/c1ccccc1)\C[N@@H+](Cc1cc(C2CC2)on1)C[C@H]1CCCO1 ZINC000252494460 564053496 /nfs/dbraw/zinc/05/34/96/564053496.db2.gz NWHXFTFMAKFQGJ-BTZGUFSASA-N 1 2 338.451 4.246 50 0 EIAALO C(=C/c1ccccc1)\C[N@H+](Cc1cc(C2CC2)on1)C[C@H]1CCCO1 ZINC000252494460 564053497 /nfs/dbraw/zinc/05/34/97/564053497.db2.gz NWHXFTFMAKFQGJ-BTZGUFSASA-N 1 2 338.451 4.246 50 0 EIAALO Cc1[nH]cc(-c2cccc(C(=O)N3CCCC[C@H]3c3ccccn3)c2)[nH+]1 ZINC000299774717 564060821 /nfs/dbraw/zinc/06/08/21/564060821.db2.gz HZJJCZARXGSBJQ-FQEVSTJZSA-N 1 2 346.434 4.148 50 0 EIAALO Cc1cc(C(=O)C[N@@H+](C)Cc2ccco2)c(C)n1Cc1ccccc1 ZINC000012820341 564074295 /nfs/dbraw/zinc/07/42/95/564074295.db2.gz QUSJBVABGYMNOA-UHFFFAOYSA-N 1 2 336.435 4.061 50 0 EIAALO Cc1cc(C(=O)C[N@H+](C)Cc2ccco2)c(C)n1Cc1ccccc1 ZINC000012820341 564074296 /nfs/dbraw/zinc/07/42/96/564074296.db2.gz QUSJBVABGYMNOA-UHFFFAOYSA-N 1 2 336.435 4.061 50 0 EIAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)C2CCC2)c1 ZINC000015863680 564077099 /nfs/dbraw/zinc/07/70/99/564077099.db2.gz DMKOBYSZWCIOCE-UHFFFAOYSA-N 1 2 333.435 4.097 50 0 EIAALO COc1ccc([C@@H]([NH2+]Cc2nc(C)cs2)c2ccc(F)cc2)cc1 ZINC000117384120 564077288 /nfs/dbraw/zinc/07/72/88/564077288.db2.gz XSFKDUNHNCZJSM-IBGZPJMESA-N 1 2 342.439 4.478 50 0 EIAALO C/C(=C\c1ccccc1)C(=O)N1CC[C@@H](n2c(C)[nH+]c3ccccc32)C1 ZINC000575618179 564083612 /nfs/dbraw/zinc/08/36/12/564083612.db2.gz SZIJQTVOYJRFLL-JRJUITNWSA-N 1 2 345.446 4.222 50 0 EIAALO CCCCn1c2ccccc2[nH+]c1NCc1nc2ccccc2n1C ZINC000001793028 564087709 /nfs/dbraw/zinc/08/77/09/564087709.db2.gz PQTJWXKIIHMDGW-UHFFFAOYSA-N 1 2 333.439 4.335 50 0 EIAALO c1c(CSc2nnc(Nc3ccccc3)s2)[nH+]c2ccccn12 ZINC000006465847 564089398 /nfs/dbraw/zinc/08/93/98/564089398.db2.gz OWCKHFQAFAHACX-UHFFFAOYSA-N 1 2 339.449 4.222 50 0 EIAALO Cc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)c(C)[nH+]1 ZINC000426361234 564093477 /nfs/dbraw/zinc/09/34/77/564093477.db2.gz RZKKWFNSCIQOLD-UHFFFAOYSA-N 1 2 330.378 4.237 50 0 EIAALO COc1ccc(-n2c(C)c(C)c3c2nc[nH+]c3NCc2ccco2)cc1 ZINC000006670411 564095768 /nfs/dbraw/zinc/09/57/68/564095768.db2.gz UHVNZDTZLGQJQI-UHFFFAOYSA-N 1 2 348.406 4.251 50 0 EIAALO CC(C)CN(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C(=O)C(C)C ZINC000006689493 564095831 /nfs/dbraw/zinc/09/58/31/564095831.db2.gz SRQRGLLFWAWRCQ-UHFFFAOYSA-N 1 2 347.890 4.225 50 0 EIAALO CC(=O)NCCCCCc1[nH+]c2ccccc2n1Cc1cccc(C)c1 ZINC000006743458 564096849 /nfs/dbraw/zinc/09/68/49/564096849.db2.gz AKFABOCAPNIKGW-UHFFFAOYSA-N 1 2 349.478 4.242 50 0 EIAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNC(=O)c2ccccc2)cc1 ZINC000065171143 564102188 /nfs/dbraw/zinc/10/21/88/564102188.db2.gz UWTTYZGMUBPVBH-UHFFFAOYSA-N 1 2 346.430 4.304 50 0 biogenic EIAALO O=C(NC1CCCC1)c1ccc(-c2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000065178206 564102520 /nfs/dbraw/zinc/10/25/20/564102520.db2.gz CGGAKFAEDYOTNP-UHFFFAOYSA-N 1 2 349.478 4.411 50 0 EIAALO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000007267335 564106110 /nfs/dbraw/zinc/10/61/10/564106110.db2.gz BKCGPRHWXSXFIX-ZDUSSCGKSA-N 1 2 344.842 4.002 50 0 EIAALO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000007267335 564106111 /nfs/dbraw/zinc/10/61/11/564106111.db2.gz BKCGPRHWXSXFIX-ZDUSSCGKSA-N 1 2 344.842 4.002 50 0 EIAALO O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000065586034 564107829 /nfs/dbraw/zinc/10/78/29/564107829.db2.gz YPBZYWWVGIQGFG-UHFFFAOYSA-N 1 2 346.434 4.419 50 0 EIAALO Cc1cc(-c2nnc(C[NH2+][C@@H](C)c3ccccc3Cl)o2)c(C)o1 ZINC000007499797 564109284 /nfs/dbraw/zinc/10/92/84/564109284.db2.gz SJIRYZAGGIHOLN-NSHDSACASA-N 1 2 331.803 4.451 50 0 EIAALO CC(C)Cc1noc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089856562 564114394 /nfs/dbraw/zinc/11/43/94/564114394.db2.gz UBIFILIJOYCWCF-UHFFFAOYSA-N 1 2 336.439 4.039 50 0 EIAALO CC(C)Cc1noc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089856562 564114395 /nfs/dbraw/zinc/11/43/95/564114395.db2.gz UBIFILIJOYCWCF-UHFFFAOYSA-N 1 2 336.439 4.039 50 0 EIAALO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 ZINC000017242183 564116769 /nfs/dbraw/zinc/11/67/69/564116769.db2.gz ACIHXFGAEPNSCL-ZDUSSCGKSA-N 1 2 333.370 4.128 50 0 EIAALO CC[C@@H](C)NC(=O)Cn1c(Cc2ccccc2)[nH+]c2cc(C)c(C)cc21 ZINC000037398243 564121181 /nfs/dbraw/zinc/12/11/81/564121181.db2.gz GPMLEROAMUXRKN-QGZVFWFLSA-N 1 2 349.478 4.159 50 0 EIAALO Cc1cc(N[C@H](c2ccccc2)[C@H]2CCOC2)nc(-c2cccnc2)[nH+]1 ZINC000253422839 564131061 /nfs/dbraw/zinc/13/10/61/564131061.db2.gz CAVSGXSDOGTEOR-AZUAARDMSA-N 1 2 346.434 4.037 50 0 EIAALO CSc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000253429481 564131242 /nfs/dbraw/zinc/13/12/42/564131242.db2.gz DLOLZGSHHGASEB-CZUORRHYSA-N 1 2 344.484 4.129 50 0 EIAALO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000013058040 564135927 /nfs/dbraw/zinc/13/59/27/564135927.db2.gz MCPDFMRLUQCRPO-CYBMUJFWSA-N 1 2 344.842 4.002 50 0 EIAALO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000013058040 564135928 /nfs/dbraw/zinc/13/59/28/564135928.db2.gz MCPDFMRLUQCRPO-CYBMUJFWSA-N 1 2 344.842 4.002 50 0 EIAALO COc1c(C)c[nH+]c(CSc2nnc(Cc3cccs3)o2)c1C ZINC000096411916 564147634 /nfs/dbraw/zinc/14/76/34/564147634.db2.gz DLHXXKNDGQQTLW-UHFFFAOYSA-N 1 2 347.465 4.035 50 0 EIAALO CCc1noc(C)c1NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000097099634 564149417 /nfs/dbraw/zinc/14/94/17/564149417.db2.gz MGPQRRKDYNAJMI-UHFFFAOYSA-N 1 2 338.367 4.377 50 0 EIAALO Cc1ccc(-c2nc(C[NH+]3CCC(c4ccn[nH]4)CC3)co2)c(C)c1 ZINC000058208463 564158078 /nfs/dbraw/zinc/15/80/78/564158078.db2.gz CRJSOMKJWGNESX-UHFFFAOYSA-N 1 2 336.439 4.061 50 0 EIAALO Fc1ccc(-n2ncc3c2nc[nH+]c3NCCC2=CCCCC2)cc1 ZINC000008583029 564165853 /nfs/dbraw/zinc/16/58/53/564165853.db2.gz BUJSRZQEAAEQMB-UHFFFAOYSA-N 1 2 337.402 4.257 50 0 EIAALO Cn1cc[nH+]c1-c1cccc(NC(=O)c2sccc2OC(F)F)c1 ZINC000069582016 564170664 /nfs/dbraw/zinc/17/06/64/564170664.db2.gz SPOHKWXOKNTDCM-UHFFFAOYSA-N 1 2 349.362 4.002 50 0 EIAALO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2csc(C(C)C)n2)c1 ZINC000069630535 564171061 /nfs/dbraw/zinc/17/10/61/564171061.db2.gz WLLRHHWCOFRNOT-CQSZACIVSA-N 1 2 345.512 4.085 50 0 EIAALO Cc1c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)sc2cccc(F)c12 ZINC000069656630 564171211 /nfs/dbraw/zinc/17/12/11/564171211.db2.gz GYWNHUIVYHICID-ZDUSSCGKSA-N 1 2 343.427 4.023 50 0 EIAALO Cc1cccc(-c2noc(C[NH2+][C@H](c3ncccc3C)C(C)C)n2)c1 ZINC000070019810 564173328 /nfs/dbraw/zinc/17/33/28/564173328.db2.gz GWQHSKONIVBYCP-SFHVURJKSA-N 1 2 336.439 4.235 50 0 EIAALO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000071792621 564175333 /nfs/dbraw/zinc/17/53/33/564175333.db2.gz OHVYJPGVCLFGFB-NRFANRHFSA-N 1 2 343.430 4.158 50 0 EIAALO Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC000076624339 564176507 /nfs/dbraw/zinc/17/65/07/564176507.db2.gz FDBBGKQXRXLITF-NSHDSACASA-N 1 2 343.374 4.046 50 0 EIAALO CC(=O)c1ccc(N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)cc1 ZINC000022077560 1020957349 /nfs/dbraw/zinc/95/73/49/1020957349.db2.gz NBHTWSJRZCGZFU-UHFFFAOYSA-N 1 2 345.446 4.072 50 0 EIAALO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1nc(-c3ccccc3)c[nH]1)CCO2 ZINC000194423388 1026816369 /nfs/dbraw/zinc/81/63/69/1026816369.db2.gz JTEKPMLVCMGOBN-GOSISDBHSA-N 1 2 349.434 4.089 50 0 EIAALO Cc1ncc(C[N@@H+](C)Cc2ccccc2OCC(F)(F)F)s1 ZINC000173545088 1038394113 /nfs/dbraw/zinc/39/41/13/1038394113.db2.gz QXDFQCYAPKKATG-UHFFFAOYSA-N 1 2 330.375 4.025 50 0 EIAALO Cc1ncc(C[N@H+](C)Cc2ccccc2OCC(F)(F)F)s1 ZINC000173545088 1038394131 /nfs/dbraw/zinc/39/41/31/1038394131.db2.gz QXDFQCYAPKKATG-UHFFFAOYSA-N 1 2 330.375 4.025 50 0 EIAALO Cc1c[nH+]c(-c2ccccc2)n1CCNC(=O)Nc1ccc(C)c(C)c1 ZINC000575556204 1045261175 /nfs/dbraw/zinc/26/11/75/1045261175.db2.gz HJEKRRMBXJUAKK-UHFFFAOYSA-N 1 2 348.450 4.297 50 0 EIAALO CC(C)Cn1c[nH+]cc1CNc1nc(-c2ccccc2)nc2c1CCC2 ZINC000952971362 1049683758 /nfs/dbraw/zinc/68/37/58/1049683758.db2.gz DAEKEKBMMBPFOZ-UHFFFAOYSA-N 1 2 347.466 4.097 50 0 EIAALO COC[C@@H](C)[N@H+](Cc1ccccc1C)Cc1c(F)ccc(OC)c1F ZINC000952991125 1049691315 /nfs/dbraw/zinc/69/13/15/1049691315.db2.gz ZKLNDJMSEGAMBM-OAHLLOKOSA-N 1 2 349.421 4.319 50 0 EIAALO COC[C@@H](C)[N@@H+](Cc1ccccc1C)Cc1c(F)ccc(OC)c1F ZINC000952991125 1049691323 /nfs/dbraw/zinc/69/13/23/1049691323.db2.gz ZKLNDJMSEGAMBM-OAHLLOKOSA-N 1 2 349.421 4.319 50 0 EIAALO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000007855516 1049842302 /nfs/dbraw/zinc/84/23/02/1049842302.db2.gz UIRLCRUHWYJUAJ-INIZCTEOSA-N 1 2 342.830 4.066 50 0 EIAALO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000007855516 1049842304 /nfs/dbraw/zinc/84/23/04/1049842304.db2.gz UIRLCRUHWYJUAJ-INIZCTEOSA-N 1 2 342.830 4.066 50 0 EIAALO Fc1ccc([C@H]2CC[N@@H+]2Cc2cnn(-c3cccc(F)c3)c2)cc1 ZINC000097730032 219051479 /nfs/dbraw/zinc/05/14/79/219051479.db2.gz WABWMDURXXQJNL-LJQANCHMSA-N 1 2 325.362 4.098 50 0 EIAALO Fc1ccc([C@H]2CC[N@H+]2Cc2cnn(-c3cccc(F)c3)c2)cc1 ZINC000097730032 219051481 /nfs/dbraw/zinc/05/14/81/219051481.db2.gz WABWMDURXXQJNL-LJQANCHMSA-N 1 2 325.362 4.098 50 0 EIAALO C[C@@H](C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)n1cc[nH+]c1 ZINC000056483103 214377414 /nfs/dbraw/zinc/37/74/14/214377414.db2.gz SOJYKHLSICQEDA-XHDPSFHLSA-N 1 2 338.238 4.115 50 0 EIAALO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccc(C)cc1 ZINC000049982620 214038748 /nfs/dbraw/zinc/03/87/48/214038748.db2.gz BEVIMMAXNBLRPG-OAHLLOKOSA-N 1 2 343.496 4.368 50 0 EIAALO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccc(C)cc1 ZINC000049982620 214038751 /nfs/dbraw/zinc/03/87/51/214038751.db2.gz BEVIMMAXNBLRPG-OAHLLOKOSA-N 1 2 343.496 4.368 50 0 EIAALO CCN(Cc1ccccc1)c1[nH+]cnc2c1cnn2-c1ccc(C)cc1 ZINC000004355050 210179221 /nfs/dbraw/zinc/17/92/21/210179221.db2.gz JBLLAFHRCVRHQJ-UHFFFAOYSA-N 1 2 343.434 4.150 50 0 EIAALO C[N@H+](CC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1cccs1 ZINC000003436058 210038925 /nfs/dbraw/zinc/03/89/25/210038925.db2.gz OCUAXYJLWBIQBF-UHFFFAOYSA-N 1 2 329.252 4.125 50 0 EIAALO C[N@@H+](CC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1cccs1 ZINC000003436058 210038928 /nfs/dbraw/zinc/03/89/28/210038928.db2.gz OCUAXYJLWBIQBF-UHFFFAOYSA-N 1 2 329.252 4.125 50 0 EIAALO FC(F)(F)[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000069323109 215377565 /nfs/dbraw/zinc/37/75/65/215377565.db2.gz ADIROIMBGJGWKP-NSHDSACASA-N 1 2 345.752 4.164 50 0 EIAALO FC(F)(F)[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000069323109 215377568 /nfs/dbraw/zinc/37/75/68/215377568.db2.gz ADIROIMBGJGWKP-NSHDSACASA-N 1 2 345.752 4.164 50 0 EIAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1Cl ZINC000023889605 212398617 /nfs/dbraw/zinc/39/86/17/212398617.db2.gz 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ZINC000028683278 563903762 /nfs/dbraw/zinc/90/37/62/563903762.db2.gz FCKXQODIVGAFGO-CQSZACIVSA-N 1 2 343.496 4.190 50 0 EIAALO Cn1c[nH+]c2ccc(NCCC(=O)C34CC5CC(CC(C5)C3)C4)cc21 ZINC000030952866 563911911 /nfs/dbraw/zinc/91/19/11/563911911.db2.gz HHODYWPWEWOJOS-UHFFFAOYSA-N 1 2 337.467 4.161 50 0 EIAALO CC(C)c1nnc(C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)o1 ZINC000058246000 563940750 /nfs/dbraw/zinc/94/07/50/563940750.db2.gz RKEVQGKKHRIKRZ-GOSISDBHSA-N 1 2 339.464 4.402 50 0 EIAALO CC(C)c1nnc(C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)o1 ZINC000058246000 563940751 /nfs/dbraw/zinc/94/07/51/563940751.db2.gz RKEVQGKKHRIKRZ-GOSISDBHSA-N 1 2 339.464 4.402 50 0 EIAALO CSc1nnc(C[NH2+]C(c2ccccc2)c2ccccc2)s1 ZINC000058411600 563945255 /nfs/dbraw/zinc/94/52/55/563945255.db2.gz PNSJBIZVDJVEEN-UHFFFAOYSA-N 1 2 327.478 4.139 50 0 EIAALO c1cnn(CCc2c(-c3ccccc3)[nH+]cn2CCc2cccs2)c1 ZINC000065500352 563961736 /nfs/dbraw/zinc/96/17/36/563961736.db2.gz JTRKFIYCZJQOKL-UHFFFAOYSA-N 1 2 348.475 4.294 50 0 EIAALO Cc1ccsc1-c1nccn1[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000071745432 563964953 /nfs/dbraw/zinc/96/49/53/563964953.db2.gz JEOHLYIHSYTEOC-QGZVFWFLSA-N 1 2 334.448 4.406 50 0 EIAALO COc1ccc(CNc2cc[nH+]cc2F)cc1OCc1ccccc1 ZINC000097101124 563967715 /nfs/dbraw/zinc/96/77/15/563967715.db2.gz YRPVFUIFMOGERM-UHFFFAOYSA-N 1 2 338.382 4.420 50 0 EIAALO CC(C)c1nc(CN(C)Cc2c[nH+]c(CC3CCCC3)[nH]2)cs1 ZINC000077422620 563969557 /nfs/dbraw/zinc/96/95/57/563969557.db2.gz WJNIBRXHUQAFIV-UHFFFAOYSA-N 1 2 332.517 4.354 50 0 EIAALO CC(C)c1nc(CN(C)Cc2c[nH]c(CC3CCCC3)[nH+]2)cs1 ZINC000077422620 563969558 /nfs/dbraw/zinc/96/95/58/563969558.db2.gz WJNIBRXHUQAFIV-UHFFFAOYSA-N 1 2 332.517 4.354 50 0 EIAALO Cc1ccccc1NC(=O)Cn1cc[nH+]c1-c1cccc(Cl)c1 ZINC000077540986 563970246 /nfs/dbraw/zinc/97/02/46/563970246.db2.gz ITBFVEXJSMUBJE-UHFFFAOYSA-N 1 2 325.799 4.151 50 0 EIAALO O=C(c1sccc1Cl)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082096892 563972150 /nfs/dbraw/zinc/97/21/50/563972150.db2.gz VOKLTDGCENJUFG-UHFFFAOYSA-N 1 2 349.887 4.028 50 0 EIAALO CCn1c[nH+]cc1CNC(=O)C[C@@H](c1ccccc1)c1ccccc1C ZINC000095508203 563977183 /nfs/dbraw/zinc/97/71/83/563977183.db2.gz AYXWSURTRQAODG-NRFANRHFSA-N 1 2 347.462 4.050 50 0 EIAALO CCCSc1ccc(NC(=O)N(C)Cc2[nH+]ccn2CC)cc1 ZINC000096160354 563979808 /nfs/dbraw/zinc/97/98/08/563979808.db2.gz SJRSVNPJQGPGIV-UHFFFAOYSA-N 1 2 332.473 4.069 50 0 EIAALO Cc1ccc(-c2nnc(C[N@H+](Cc3cccs3)C3CC3)o2)cc1 ZINC000046512212 563983997 /nfs/dbraw/zinc/98/39/97/563983997.db2.gz HJEIANUDYDULFW-UHFFFAOYSA-N 1 2 325.437 4.271 50 0 EIAALO Cc1ccc(-c2nnc(C[N@@H+](Cc3cccs3)C3CC3)o2)cc1 ZINC000046512212 563983998 /nfs/dbraw/zinc/98/39/98/563983998.db2.gz HJEIANUDYDULFW-UHFFFAOYSA-N 1 2 325.437 4.271 50 0 EIAALO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000121701965 563994212 /nfs/dbraw/zinc/99/42/12/563994212.db2.gz VGZVMVSFMSPKMD-OAHLLOKOSA-N 1 2 327.453 4.036 50 0 EIAALO Cc1cc(C)n(-c2cc(NCc3ccco3)[nH+]c(-c3ccccc3)n2)n1 ZINC000005426644 564003843 /nfs/dbraw/zinc/00/38/43/564003843.db2.gz 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ZINC000012756214 564067235 /nfs/dbraw/zinc/06/72/35/564067235.db2.gz GPKDYWJVQIPDGQ-HOTGVXAUSA-N 1 2 342.508 4.161 50 0 EIAALO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)cc1C ZINC000012756214 564067236 /nfs/dbraw/zinc/06/72/36/564067236.db2.gz GPKDYWJVQIPDGQ-HOTGVXAUSA-N 1 2 342.508 4.161 50 0 EIAALO Cc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000012808172 564072566 /nfs/dbraw/zinc/07/25/66/564072566.db2.gz MMHVCGRQWMNDCI-AWEZNQCLSA-N 1 2 339.464 4.236 50 0 EIAALO Cc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000012808172 564072567 /nfs/dbraw/zinc/07/25/67/564072567.db2.gz MMHVCGRQWMNDCI-AWEZNQCLSA-N 1 2 339.464 4.236 50 0 EIAALO Cc1ccc2cccc(NC(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)c2n1 ZINC000088381322 564079056 /nfs/dbraw/zinc/07/90/56/564079056.db2.gz YXKABBLPZKCGDX-INIZCTEOSA-N 1 2 335.411 4.025 50 0 EIAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Cl)cc1 ZINC000012934060 564079141 /nfs/dbraw/zinc/07/91/41/564079141.db2.gz JUEZBCOIMFDVRV-UHFFFAOYSA-N 1 2 335.860 4.035 50 0 EIAALO CC(C)Cc1nc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)no1 ZINC000064249444 564085658 /nfs/dbraw/zinc/08/56/58/564085658.db2.gz JNCHFWZTMJTEOR-OAHLLOKOSA-N 1 2 333.863 4.129 50 0 EIAALO CC(C)Cc1nc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)no1 ZINC000064249444 564085659 /nfs/dbraw/zinc/08/56/59/564085659.db2.gz JNCHFWZTMJTEOR-OAHLLOKOSA-N 1 2 333.863 4.129 50 0 EIAALO CCc1nnsc1C(=O)Nc1c2ccccc2[nH+]c(C)c1C(C)C ZINC000191319836 564085686 /nfs/dbraw/zinc/08/56/86/564085686.db2.gz GWBKSWSILZELML-UHFFFAOYSA-N 1 2 340.452 4.333 50 0 EIAALO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000013008836 564086457 /nfs/dbraw/zinc/08/64/57/564086457.db2.gz BFVKVZOFWOLBQK-CQSZACIVSA-N 1 2 341.455 4.023 50 0 EIAALO CCCc1[nH]c2ccc(CCC(=O)NCc3ccccc3C)cc2[nH+]1 ZINC000075478720 564086575 /nfs/dbraw/zinc/08/65/75/564086575.db2.gz QMNMETLWJUAANT-UHFFFAOYSA-N 1 2 335.451 4.073 50 0 EIAALO CCCc1[nH]c2cc(CCC(=O)NCc3ccccc3C)ccc2[nH+]1 ZINC000075478720 564086576 /nfs/dbraw/zinc/08/65/76/564086576.db2.gz QMNMETLWJUAANT-UHFFFAOYSA-N 1 2 335.451 4.073 50 0 EIAALO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 ZINC000013022847 564086912 /nfs/dbraw/zinc/08/69/12/564086912.db2.gz WKWDQJMYNPXXGE-NSHDSACASA-N 1 2 331.778 4.380 50 0 EIAALO CC(C)c1noc([C@H](C)[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000248714089 564089292 /nfs/dbraw/zinc/08/92/92/564089292.db2.gz DKSRRGLLRSZUNQ-UXLLHSPISA-N 1 2 329.444 4.012 50 0 EIAALO COCc1ccc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(C)c2)o1 ZINC000192588530 564092109 /nfs/dbraw/zinc/09/21/09/564092109.db2.gz SYAJNEQQENUGHF-UHFFFAOYSA-N 1 2 338.363 4.174 50 0 EIAALO Cc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc[nH+]1 ZINC000006608419 564093268 /nfs/dbraw/zinc/09/32/68/564093268.db2.gz UNKMYWPPIBDTKP-UHFFFAOYSA-N 1 2 336.366 4.360 50 0 EIAALO CC(C)n1cc[nH+]c1-c1cccc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000426613589 564094219 /nfs/dbraw/zinc/09/42/19/564094219.db2.gz HIYRQWCKNRBYJN-KDURUIRLSA-N 1 2 335.451 4.169 50 0 EIAALO COc1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3Cc2ccco2)cc1 ZINC000006662696 564095623 /nfs/dbraw/zinc/09/56/23/564095623.db2.gz YMMHPKCWJAOAJJ-UHFFFAOYSA-N 1 2 348.406 4.442 50 0 EIAALO Cc1[nH+]cccc1-n1cccc1C(=O)Nc1ccc(Cl)cc1F ZINC000064839247 564096712 /nfs/dbraw/zinc/09/67/12/564096712.db2.gz AFOHISNMMRYJHO-UHFFFAOYSA-N 1 2 329.762 4.226 50 0 EIAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cccc(Cl)c1 ZINC000065172886 564102285 /nfs/dbraw/zinc/10/22/85/564102285.db2.gz AHEYOKAUJHDUCT-UHFFFAOYSA-N 1 2 343.858 4.045 50 0 EIAALO O=C1CCCN1CCCNc1cc(-c2ccccc2)c2ccccc2[nH+]1 ZINC000007015216 564103168 /nfs/dbraw/zinc/10/31/68/564103168.db2.gz HBYNALUOZOXVFK-UHFFFAOYSA-N 1 2 345.446 4.326 50 0 EIAALO CCN(CC)c1cc(CCC(=O)Nc2cc(C)ccc2C)cc[nH+]1 ZINC000065269896 564103781 /nfs/dbraw/zinc/10/37/81/564103781.db2.gz RCISKTRCDJGNQC-UHFFFAOYSA-N 1 2 325.456 4.116 50 0 EIAALO Cc1[nH+]c2ccccc2n1CCCNc1nc2ccccc2nc1C ZINC000170594789 564109073 /nfs/dbraw/zinc/10/90/73/564109073.db2.gz IDQPYTWNGXNMAS-UHFFFAOYSA-N 1 2 331.423 4.099 50 0 EIAALO C[C@H](Nc1ncnc2c(F)cccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC000170606595 564109650 /nfs/dbraw/zinc/10/96/50/564109650.db2.gz ANCZUMIJAZINJR-ZDUSSCGKSA-N 1 2 333.370 4.128 50 0 EIAALO c1coc([C@@H](NCc2[nH+]ccn2Cc2ccccc2)c2ccccc2)c1 ZINC000089841131 564114180 /nfs/dbraw/zinc/11/41/80/564114180.db2.gz QEOMVTOXKCTMEG-QFIPXVFZSA-N 1 2 343.430 4.404 50 0 EIAALO CCCCN(C)c1[nH+]cnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017270209 564116862 /nfs/dbraw/zinc/11/68/62/564116862.db2.gz WRQOCIHHJLPGNF-UHFFFAOYSA-N 1 2 329.835 4.014 50 0 EIAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000007922047 564125488 /nfs/dbraw/zinc/12/54/88/564125488.db2.gz PIRWVSCTYYESAY-GFCCVEGCSA-N 1 2 343.427 4.067 50 0 EIAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000007922047 564125489 /nfs/dbraw/zinc/12/54/89/564125489.db2.gz PIRWVSCTYYESAY-GFCCVEGCSA-N 1 2 343.427 4.067 50 0 EIAALO c1cncc([C@@H]2CCCCN2C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000019321971 564129056 /nfs/dbraw/zinc/12/90/56/564129056.db2.gz 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/nfs/dbraw/zinc/14/90/31/564149031.db2.gz UWKLOSREJFQQMY-YFWYWMRJSA-N 1 2 345.446 4.380 50 0 EIAALO Cc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCCCC2)c1C ZINC000058063422 564157361 /nfs/dbraw/zinc/15/73/61/564157361.db2.gz GXUCPYPXDXOFAI-UHFFFAOYSA-N 1 2 338.455 4.010 50 0 EIAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](C/C=C/Cl)CC2 ZINC000058470017 564159196 /nfs/dbraw/zinc/15/91/96/564159196.db2.gz WQYVZGUFTQCEPQ-UKTKYZJWSA-N 1 2 349.883 4.465 50 0 EIAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](C/C=C/Cl)CC2 ZINC000058470017 564159197 /nfs/dbraw/zinc/15/91/97/564159197.db2.gz WQYVZGUFTQCEPQ-UKTKYZJWSA-N 1 2 349.883 4.465 50 0 EIAALO CC1=C(c2ccc(NC(=O)C(C)(C)C)cc2)N2CCC[NH+]=C2S1 ZINC000008133594 564163064 /nfs/dbraw/zinc/16/30/64/564163064.db2.gz JYLKHVMKLYHTDY-UHFFFAOYSA-N 1 2 329.469 4.168 50 0 EIAALO CCn1c(C)[nH+]c2cc(NC(=O)Nc3cccc(C(C)=O)c3)ccc21 ZINC000008133010 564163094 /nfs/dbraw/zinc/16/30/94/564163094.db2.gz UYMQIDMAYSHJCV-UHFFFAOYSA-N 1 2 336.395 4.211 50 0 EIAALO Cc1[nH]c2ccc(CC(=O)NCCCc3ccc(C(C)C)cc3)cc2[nH+]1 ZINC000670473391 564166818 /nfs/dbraw/zinc/16/68/18/564166818.db2.gz NZSBUJMXAYHTQQ-UHFFFAOYSA-N 1 2 349.478 4.286 50 0 EIAALO Cc1[nH]c2cc(CC(=O)NCCCc3ccc(C(C)C)cc3)ccc2[nH+]1 ZINC000670473391 564166819 /nfs/dbraw/zinc/16/68/19/564166819.db2.gz NZSBUJMXAYHTQQ-UHFFFAOYSA-N 1 2 349.478 4.286 50 0 EIAALO C[C@H]1CCCC[N@@H+]1Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000008747851 564167217 /nfs/dbraw/zinc/16/72/17/564167217.db2.gz MGMIYLSZUGFUKH-NSHDSACASA-N 1 2 345.493 4.088 50 0 EIAALO C[C@H]1CCCC[N@H+]1Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000008747851 564167218 /nfs/dbraw/zinc/16/72/18/564167218.db2.gz MGMIYLSZUGFUKH-NSHDSACASA-N 1 2 345.493 4.088 50 0 EIAALO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000069593681 564170768 /nfs/dbraw/zinc/17/07/68/564170768.db2.gz YKXOGASWMZVUFR-NSHDSACASA-N 1 2 346.406 4.071 50 0 EIAALO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000069593681 564170769 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Cc1cc(N[C@H](c2nccn2C)c2ccccc2)[nH+]c2ccccc12 ZINC000053599545 214190540 /nfs/dbraw/zinc/19/05/40/214190540.db2.gz OYGMJUBMLZXTNR-FQEVSTJZSA-N 1 2 328.419 4.478 50 0 EIAALO C[C@@H](CO)C[N@H+](Cc1ccccc1)Cc1c(Cl)cncc1Cl ZINC000055131376 214277462 /nfs/dbraw/zinc/27/74/62/214277462.db2.gz BKKFUAHCNZHVTP-CYBMUJFWSA-N 1 2 339.266 4.019 50 0 EIAALO C[C@@H](CO)C[N@@H+](Cc1ccccc1)Cc1c(Cl)cncc1Cl ZINC000055131376 214277463 /nfs/dbraw/zinc/27/74/63/214277463.db2.gz BKKFUAHCNZHVTP-CYBMUJFWSA-N 1 2 339.266 4.019 50 0 EIAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NCc1ccccc1 ZINC000004354827 210179361 /nfs/dbraw/zinc/17/93/61/210179361.db2.gz ODOQUZDGZLFOOD-UHFFFAOYSA-N 1 2 349.825 4.389 50 0 EIAALO S=c1n(CN2CCCCC2)c2ccccc2n1C[NH+]1CCCCC1 ZINC000003683266 210073942 /nfs/dbraw/zinc/07/39/42/210073942.db2.gz YDRGIXKKJVGSAW-UHFFFAOYSA-N 1 2 344.528 4.059 50 0 EIAALO O=C(Nc1c[nH+]c2n1CCCC2)c1ccccc1OCc1ccccc1 ZINC000067713419 215190713 /nfs/dbraw/zinc/19/07/13/215190713.db2.gz DJPFGYWQOSINCS-UHFFFAOYSA-N 1 2 347.418 4.051 50 0 EIAALO COc1cccc2cc(C[NH2+][C@@H](c3nccn3C)c3ccccc3)oc21 ZINC000040091395 213262357 /nfs/dbraw/zinc/26/23/57/213262357.db2.gz NFKZCNLLWSFOAU-LJQANCHMSA-N 1 2 347.418 4.054 50 0 EIAALO C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040038939 213252925 /nfs/dbraw/zinc/25/29/25/213252925.db2.gz CZTYEOBHFDIJQX-IRXDYDNUSA-N 1 2 348.450 4.336 50 0 EIAALO C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040038942 213253968 /nfs/dbraw/zinc/25/39/68/213253968.db2.gz CZTYEOBHFDIJQX-IAGOWNOFSA-N 1 2 348.450 4.336 50 0 EIAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(Br)c2)on1 ZINC000035511243 213035564 /nfs/dbraw/zinc/03/55/64/213035564.db2.gz BQPCXLQFOBVBHY-AWEZNQCLSA-N 1 2 339.208 4.222 50 0 EIAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(Br)c2)on1 ZINC000035511243 213035567 /nfs/dbraw/zinc/03/55/67/213035567.db2.gz BQPCXLQFOBVBHY-AWEZNQCLSA-N 1 2 339.208 4.222 50 0 EIAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc([C@H]2C=CCC2)cc1 ZINC000000253552 209505103 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CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1OCC ZINC000021720327 212243700 /nfs/dbraw/zinc/24/37/00/212243700.db2.gz JMSLIKIUDVCYLT-QGZVFWFLSA-N 1 2 330.428 4.118 50 0 EIAALO Cc1nnc([C@H](C)[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)s1 ZINC000241338660 242988680 /nfs/dbraw/zinc/98/86/80/242988680.db2.gz MCVKBSHGJBSYKP-AWEZNQCLSA-N 1 2 331.485 4.068 50 0 EIAALO Oc1ccc(C2N(Cc3ccccc3)CC[N@@H+]2Cc2ccccc2)cc1 ZINC000019323950 212015417 /nfs/dbraw/zinc/01/54/17/212015417.db2.gz NYHYIUDGOIGOCH-UHFFFAOYSA-N 1 2 344.458 4.409 50 0 EIAALO Oc1ccc(C2N(Cc3ccccc3)CC[N@H+]2Cc2ccccc2)cc1 ZINC000019323950 212015420 /nfs/dbraw/zinc/01/54/20/212015420.db2.gz NYHYIUDGOIGOCH-UHFFFAOYSA-N 1 2 344.458 4.409 50 0 EIAALO Cc1[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)[nH+]c1-c1ccc(C)c(C)c1 ZINC000019225717 212006624 /nfs/dbraw/zinc/00/66/24/212006624.db2.gz JOOLIKCRRFDCQQ-KRWDZBQOSA-N 1 2 337.467 4.260 50 0 EIAALO CC[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C)c1ccc(C)cc1 ZINC000016420655 211903295 /nfs/dbraw/zinc/90/32/95/211903295.db2.gz ONNPPRPYVMAWSU-MAUKXSAKSA-N 1 2 342.508 4.243 50 0 EIAALO CC[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C)c1ccc(C)cc1 ZINC000016420655 211903291 /nfs/dbraw/zinc/90/32/91/211903291.db2.gz ONNPPRPYVMAWSU-MAUKXSAKSA-N 1 2 342.508 4.243 50 0 EIAALO C[C@@H](C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1)n1cc[nH+]c1 ZINC000079073563 217187868 /nfs/dbraw/zinc/18/78/68/217187868.db2.gz RDDBNXWRGRKCHJ-YWZLYKJASA-N 1 2 345.402 4.096 50 0 EIAALO CCCCc1nc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c[nH]1 ZINC000012307283 211342672 /nfs/dbraw/zinc/34/26/72/211342672.db2.gz BJCVKFQHEBTFMQ-HNNXBMFYSA-N 1 2 348.441 4.107 50 0 EIAALO CCCCc1nc(C[N@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c[nH]1 ZINC000012307283 211342677 /nfs/dbraw/zinc/34/26/77/211342677.db2.gz BJCVKFQHEBTFMQ-HNNXBMFYSA-N 1 2 348.441 4.107 50 0 EIAALO CCCCc1ncc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)[nH]1 ZINC000012307283 211342682 /nfs/dbraw/zinc/34/26/82/211342682.db2.gz BJCVKFQHEBTFMQ-HNNXBMFYSA-N 1 2 348.441 4.107 50 0 EIAALO CCCCc1ncc(C[N@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)[nH]1 ZINC000012307283 211342688 /nfs/dbraw/zinc/34/26/88/211342688.db2.gz BJCVKFQHEBTFMQ-HNNXBMFYSA-N 1 2 348.441 4.107 50 0 EIAALO CC(C)c1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)[nH]n1 ZINC000012306619 211341984 /nfs/dbraw/zinc/34/19/84/211341984.db2.gz OTHKIYSDVBLHIH-HNNXBMFYSA-N 1 2 345.874 4.281 50 0 EIAALO CC(C)c1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)[nH]n1 ZINC000012306619 211341991 /nfs/dbraw/zinc/34/19/91/211341991.db2.gz OTHKIYSDVBLHIH-HNNXBMFYSA-N 1 2 345.874 4.281 50 0 EIAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1ccc(F)cc1Cl ZINC000010311023 211161358 /nfs/dbraw/zinc/16/13/58/211161358.db2.gz CHGAWYMDCBDXKC-QGZVFWFLSA-N 1 2 332.806 4.255 50 0 EIAALO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)Nc1ccc(F)cc1Cl ZINC000010311023 211161362 /nfs/dbraw/zinc/16/13/62/211161362.db2.gz CHGAWYMDCBDXKC-QGZVFWFLSA-N 1 2 332.806 4.255 50 0 EIAALO C[C@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1[NH2+]Cc1ccco1 ZINC000009434873 211082739 /nfs/dbraw/zinc/08/27/39/211082739.db2.gz DKJYZTVZGIUPOS-FOIQADDNSA-N 1 2 336.435 4.169 50 0 EIAALO CC(=O)NCCCCCc1[nH+]c2ccccc2n1CCc1ccccc1 ZINC000009184775 211049231 /nfs/dbraw/zinc/04/92/31/211049231.db2.gz SRZQEOKEJIURMX-UHFFFAOYSA-N 1 2 349.478 4.128 50 0 EIAALO Cc1c(C)n(-c2nccs2)c2nc[nH+]c(NCc3ccccc3)c12 ZINC000009050120 211034973 /nfs/dbraw/zinc/03/49/73/211034973.db2.gz YCKJKQJSMZCHGY-UHFFFAOYSA-N 1 2 335.436 4.106 50 0 EIAALO Cc1ccsc1[C@@H](C)[NH2+][C@H](c1nccn1C)c1ccc(F)cc1 ZINC000095419867 218359715 /nfs/dbraw/zinc/35/97/15/218359715.db2.gz UQPFMVJBRHQYJZ-CJNGLKHVSA-N 1 2 329.444 4.369 50 0 EIAALO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1csc(CC)n1)CCO2 ZINC000095422311 218365413 /nfs/dbraw/zinc/36/54/13/218365413.db2.gz VFAPVHSTEIGESD-IUODEOHRSA-N 1 2 332.469 4.279 50 0 EIAALO CC(C)CN(C)C(=O)c1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000426421001 257968873 /nfs/dbraw/zinc/96/88/73/257968873.db2.gz AGPUYGCXPKOWFD-UHFFFAOYSA-N 1 2 347.462 4.326 50 0 EIAALO Cc1cc2[nH+]cn([C@@H](C)c3nc([C@H]4CCOC4)cs3)c2cc1C ZINC000357726651 257931081 /nfs/dbraw/zinc/93/10/81/257931081.db2.gz HHWFARGNZSVECN-KBPBESRZSA-N 1 2 327.453 4.223 50 0 EIAALO Cc1cc2[nH+]cn([C@@H](C)c3nc([C@@H]4CCOC4)cs3)c2cc1C ZINC000357726656 257931181 /nfs/dbraw/zinc/93/11/81/257931181.db2.gz HHWFARGNZSVECN-UONOGXRCSA-N 1 2 327.453 4.223 50 0 EIAALO CCOc1ccccc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000055543631 132195598 /nfs/dbraw/zinc/19/55/98/132195598.db2.gz POPYNXVOHQNXTJ-UHFFFAOYSA-N 1 2 330.859 4.061 50 0 EIAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc(Cl)cc2C)C(=O)[C@@H]1C ZINC000037520217 132394823 /nfs/dbraw/zinc/39/48/23/132394823.db2.gz VLESIRUNJSPMHC-INIZCTEOSA-N 1 2 342.870 4.194 50 0 EIAALO Cc1ccccc1C[N@H+]1CCN(c2ccc(Cl)cc2C)C(=O)[C@@H]1C ZINC000037520217 132394825 /nfs/dbraw/zinc/39/48/25/132394825.db2.gz VLESIRUNJSPMHC-INIZCTEOSA-N 1 2 342.870 4.194 50 0 EIAALO CC(C)c1ccc([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000193715347 535373733 /nfs/dbraw/zinc/37/37/33/535373733.db2.gz 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50 0 EIAALO COc1ccc(C[N@H+](Cc2nc3ccccc3o2)C2CC2)c(OC)c1 ZINC000027590763 564132331 /nfs/dbraw/zinc/13/23/31/564132331.db2.gz GBBDOJUIJLYXCX-UHFFFAOYSA-N 1 2 338.407 4.010 50 0 EIAALO COc1ccc(C[N@@H+](Cc2nc3ccccc3o2)C2CC2)c(OC)c1 ZINC000027590763 564132332 /nfs/dbraw/zinc/13/23/32/564132332.db2.gz GBBDOJUIJLYXCX-UHFFFAOYSA-N 1 2 338.407 4.010 50 0 EIAALO COc1ccccc1-n1c[nH+]c2cc(NCc3ccccn3)ccc21 ZINC000002331518 564132369 /nfs/dbraw/zinc/13/23/69/564132369.db2.gz IUJPDVZDICNJJO-UHFFFAOYSA-N 1 2 330.391 4.041 50 0 EIAALO Cc1nnc([C@H](C)[N@H+](C)CCCc2cc(-c3ccccc3)no2)s1 ZINC000328586369 564136494 /nfs/dbraw/zinc/13/64/94/564136494.db2.gz CKNAWWQYAIPUIO-ZDUSSCGKSA-N 1 2 342.468 4.127 50 0 EIAALO Cc1nnc([C@H](C)[N@@H+](C)CCCc2cc(-c3ccccc3)no2)s1 ZINC000328586369 564136495 /nfs/dbraw/zinc/13/64/95/564136495.db2.gz CKNAWWQYAIPUIO-ZDUSSCGKSA-N 1 2 342.468 4.127 50 0 EIAALO Cc1cc(C[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C(C)C)on1 ZINC000095981790 564143727 /nfs/dbraw/zinc/14/37/27/564143727.db2.gz 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/nfs/dbraw/zinc/16/30/25/564163025.db2.gz GZHNVFWYPGHREJ-UHFFFAOYSA-N 1 2 349.312 4.004 50 0 EIAALO C[C@@H]([NH2+][C@H](c1cccnc1)C1CCCCC1)c1nc(C2CC2)no1 ZINC000069416037 564169235 /nfs/dbraw/zinc/16/92/35/564169235.db2.gz ZRGIKZAPHZJEGZ-DYVFJYSZSA-N 1 2 326.444 4.314 50 0 EIAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)oc2C)on1 ZINC000069490908 564169868 /nfs/dbraw/zinc/16/98/68/564169868.db2.gz XVOARWDAELZSCF-HNNXBMFYSA-N 1 2 329.425 4.345 50 0 EIAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)oc2C)on1 ZINC000069490908 564169869 /nfs/dbraw/zinc/16/98/69/564169869.db2.gz XVOARWDAELZSCF-HNNXBMFYSA-N 1 2 329.425 4.345 50 0 EIAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cnn(C)c3)co2)c(C)c1 ZINC000071797230 564175404 /nfs/dbraw/zinc/17/54/04/564175404.db2.gz ABNQKUFRTDQNAQ-IBGZPJMESA-N 1 2 336.439 4.029 50 0 EIAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cnn(C)c3)co2)c(C)c1 ZINC000071797230 564175405 /nfs/dbraw/zinc/17/54/05/564175405.db2.gz ABNQKUFRTDQNAQ-IBGZPJMESA-N 1 2 336.439 4.029 50 0 EIAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(Cl)cc3)n2)cn1 ZINC000071799322 564175458 /nfs/dbraw/zinc/17/54/58/564175458.db2.gz MVFGDFKABXBKAI-QGZVFWFLSA-N 1 2 342.830 4.066 50 0 EIAALO Cn1cc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc(Cl)cc3)n2)cn1 ZINC000071799322 564175459 /nfs/dbraw/zinc/17/54/59/564175459.db2.gz MVFGDFKABXBKAI-QGZVFWFLSA-N 1 2 342.830 4.066 50 0 EIAALO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](C(F)(F)F)C3)o2)cc1 ZINC000071837417 564175782 /nfs/dbraw/zinc/17/57/82/564175782.db2.gz KCYLWFYTAFHEDH-JSGCOSHPSA-N 1 2 339.361 4.380 50 0 EIAALO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@H](C(F)(F)F)C3)o2)cc1 ZINC000071837417 564175783 /nfs/dbraw/zinc/17/57/83/564175783.db2.gz KCYLWFYTAFHEDH-JSGCOSHPSA-N 1 2 339.361 4.380 50 0 EIAALO O=C(N[C@H]1CCC[C@@H]1n1cc[nH+]c1)c1sc2ccccc2c1Cl ZINC000071843162 564175873 /nfs/dbraw/zinc/17/58/73/564175873.db2.gz IXLHSRJQJJHWTA-STQMWFEESA-N 1 2 345.855 4.275 50 0 EIAALO O=C(N[C@@H]1CCC[C@H]1n1cc[nH+]c1)c1sc2ccccc2c1Cl ZINC000071843164 564175886 /nfs/dbraw/zinc/17/58/86/564175886.db2.gz IXLHSRJQJJHWTA-CHWSQXEVSA-N 1 2 345.855 4.275 50 0 EIAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCN(C(=O)c2ccsc2)C1 ZINC000581807292 1060018953 /nfs/dbraw/zinc/01/89/53/1060018953.db2.gz HOBLDRFZJYUUKV-KRWDZBQOSA-N 1 2 337.448 4.007 50 0 EIAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000581807306 1060018992 /nfs/dbraw/zinc/01/89/92/1060018992.db2.gz HUKBUCYZUDMKOD-IBGZPJMESA-N 1 2 337.467 4.212 50 0 EIAALO c1ccc2nc(NCc3ccc(N4CCCCCC4)[nH+]c3)cnc2c1 ZINC000052334377 214126389 /nfs/dbraw/zinc/12/63/89/214126389.db2.gz RDCARJQAULJBSL-UHFFFAOYSA-N 1 2 333.439 4.017 50 0 EIAALO CCCCc1[nH]c(CN(Cc2nccs2)Cc2ccccc2)c[nH+]1 ZINC000055131922 214278297 /nfs/dbraw/zinc/27/82/97/214278297.db2.gz MZJCIVVZQGCXPF-UHFFFAOYSA-N 1 2 340.496 4.411 50 0 EIAALO CCCCc1[nH]cc(CN(Cc2nccs2)Cc2ccccc2)[nH+]1 ZINC000055131922 214278299 /nfs/dbraw/zinc/27/82/99/214278299.db2.gz MZJCIVVZQGCXPF-UHFFFAOYSA-N 1 2 340.496 4.411 50 0 EIAALO CCCCN(Cc1ccsc1)C(=O)CCc1cn2ccccc2[nH+]1 ZINC000055325463 214307593 /nfs/dbraw/zinc/30/75/93/214307593.db2.gz RBMVEMYBLSHWJJ-UHFFFAOYSA-N 1 2 341.480 4.157 50 0 EIAALO CC(C)n1cc(C[N@H+](Cc2ccsc2)Cc2cccnc2)cn1 ZINC000055270826 214299474 /nfs/dbraw/zinc/29/94/74/214299474.db2.gz RQXJWOPQSGPGRN-UHFFFAOYSA-N 1 2 326.469 4.123 50 0 EIAALO CC(C)n1cc(C[N@@H+](Cc2ccsc2)Cc2cccnc2)cn1 ZINC000055270826 214299478 /nfs/dbraw/zinc/29/94/78/214299478.db2.gz RQXJWOPQSGPGRN-UHFFFAOYSA-N 1 2 326.469 4.123 50 0 EIAALO Cc1ccc(C)c([C@](O)(c2c[nH+]c(C(C)C)n2C)c2ccccc2)c1 ZINC000004566746 210222441 /nfs/dbraw/zinc/22/24/41/210222441.db2.gz IAYCVHYZNXCXHF-QFIPXVFZSA-N 1 2 334.463 4.445 50 0 EIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccc(Cl)cc2)cc1 ZINC000004354950 210179112 /nfs/dbraw/zinc/17/91/12/210179112.db2.gz ZGXXGWSLVKPGTE-UHFFFAOYSA-N 1 2 349.825 4.389 50 0 EIAALO COc1ccccc1-c1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000067973729 215263469 /nfs/dbraw/zinc/26/34/69/215263469.db2.gz JACKELHSIVYTFB-UHFFFAOYSA-N 1 2 347.418 4.147 50 0 EIAALO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C)c1ccccc1Cl ZINC000103963623 219332695 /nfs/dbraw/zinc/33/26/95/219332695.db2.gz WIVJBYVXXYHBGN-CHWSQXEVSA-N 1 2 348.899 4.198 50 0 EIAALO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1C)c1ccccc1Cl ZINC000103963623 219332698 /nfs/dbraw/zinc/33/26/98/219332698.db2.gz WIVJBYVXXYHBGN-CHWSQXEVSA-N 1 2 348.899 4.198 50 0 EIAALO CCOC(=O)c1nc(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)cs1 ZINC000040153898 213274379 /nfs/dbraw/zinc/27/43/79/213274379.db2.gz GLRFCXYLSGSVDA-LBPRGKRZSA-N 1 2 344.436 4.259 50 0 EIAALO CCOC(=O)c1nc(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)cs1 ZINC000040153898 213274380 /nfs/dbraw/zinc/27/43/80/213274380.db2.gz GLRFCXYLSGSVDA-LBPRGKRZSA-N 1 2 344.436 4.259 50 0 EIAALO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038860489 213229655 /nfs/dbraw/zinc/22/96/55/213229655.db2.gz OSXANKWFZOQAMU-UHFFFAOYSA-N 1 2 345.324 4.203 50 0 EIAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000000857466 209692982 /nfs/dbraw/zinc/69/29/82/209692982.db2.gz ZJUXIBXMHQLVNH-GOSISDBHSA-N 1 2 346.430 4.192 50 0 EIAALO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccoc2)c(F)c1 ZINC000036348284 213085678 /nfs/dbraw/zinc/08/56/78/213085678.db2.gz OJUAWFFQCWBYDC-IBGZPJMESA-N 1 2 328.362 4.355 50 0 EIAALO Fc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccoc2)c(F)c1 ZINC000036348284 213085681 /nfs/dbraw/zinc/08/56/81/213085681.db2.gz OJUAWFFQCWBYDC-IBGZPJMESA-N 1 2 328.362 4.355 50 0 EIAALO Cc1cc(C)cc(NC(=O)N2CCCC[C@@H]2CCc2[nH+]ccn2C)c1 ZINC000072166609 216056449 /nfs/dbraw/zinc/05/64/49/216056449.db2.gz VABILRHBNTZLSR-GOSISDBHSA-N 1 2 340.471 4.056 50 0 EIAALO Cn1ncc(C[N@H+](C)Cc2csc(-c3cccs3)n2)c1C1CC1 ZINC000072435114 216229371 /nfs/dbraw/zinc/22/93/71/216229371.db2.gz WOIZPUZYIGBQEI-UHFFFAOYSA-N 1 2 344.509 4.115 50 0 EIAALO Cn1ncc(C[N@@H+](C)Cc2csc(-c3cccs3)n2)c1C1CC1 ZINC000072435114 216229375 /nfs/dbraw/zinc/22/93/75/216229375.db2.gz WOIZPUZYIGBQEI-UHFFFAOYSA-N 1 2 344.509 4.115 50 0 EIAALO CCN(C(=O)c1ccc(-n2cc[nH+]c2C2CC2)cc1)c1ccccc1 ZINC000072473457 216250198 /nfs/dbraw/zinc/25/01/98/216250198.db2.gz MRECMMIFSRYXGE-UHFFFAOYSA-N 1 2 331.419 4.416 50 0 EIAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000022558479 212307287 /nfs/dbraw/zinc/30/72/87/212307287.db2.gz QHNOUEJQLYZTIN-UHFFFAOYSA-N 1 2 347.340 4.256 50 0 EIAALO CCc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1ccc(Cl)cc1 ZINC000020775511 212170110 /nfs/dbraw/zinc/17/01/10/212170110.db2.gz KRRXFVNSYNRUCJ-ZDUSSCGKSA-N 1 2 331.847 4.017 50 0 EIAALO CCCn1nc(C[NH2+]Cc2ccccc2Cl)c(-c2ccccc2)n1 ZINC000247987351 243498190 /nfs/dbraw/zinc/49/81/90/243498190.db2.gz JFDRYXISGFCBLX-UHFFFAOYSA-N 1 2 340.858 4.298 50 0 EIAALO c1cncc([C@H]2CCCCN2C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000019322756 212015143 /nfs/dbraw/zinc/01/51/43/212015143.db2.gz KFIPVCUMEJOXQF-NHCUHLMSSA-N 1 2 336.483 4.188 50 0 biogenic EIAALO c1cncc([C@H]2CCCCN2C[N@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000019322756 212015145 /nfs/dbraw/zinc/01/51/45/212015145.db2.gz KFIPVCUMEJOXQF-NHCUHLMSSA-N 1 2 336.483 4.188 50 0 biogenic EIAALO Fc1cccc(Cl)c1C[NH+]1CC(c2nc(-c3cccs3)no2)C1 ZINC000049484673 214013252 /nfs/dbraw/zinc/01/32/52/214013252.db2.gz NDYJBOBHDLIKSH-UHFFFAOYSA-N 1 2 349.818 4.190 50 0 EIAALO O[C@@H](COc1ccccc1Cl)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000016903135 211938945 /nfs/dbraw/zinc/93/89/45/211938945.db2.gz BETAEDPCXMNEQH-CQSZACIVSA-N 1 2 342.826 4.007 50 0 EIAALO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1 ZINC000012372969 211358257 /nfs/dbraw/zinc/35/82/57/211358257.db2.gz WXTGQQQZEGGFQF-UHFFFAOYSA-N 1 2 347.340 4.387 50 0 EIAALO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1 ZINC000012372969 211358259 /nfs/dbraw/zinc/35/82/59/211358259.db2.gz WXTGQQQZEGGFQF-UHFFFAOYSA-N 1 2 347.340 4.387 50 0 EIAALO C[C@H](Cn1cc(-c2ccccc2-c2ccccc2)nn1)n1cc[nH+]c1 ZINC000091586640 218025612 /nfs/dbraw/zinc/02/56/12/218025612.db2.gz QJQDTGIEDSPHPF-MRXNPFEDSA-N 1 2 329.407 4.070 50 0 EIAALO Cc1[nH]c2ccc(NC(=O)c3ccc(COc4ccccc4)o3)cc2[nH+]1 ZINC000010895846 211195119 /nfs/dbraw/zinc/19/51/19/211195119.db2.gz UNWOOZOFSBTWBN-UHFFFAOYSA-N 1 2 347.374 4.296 50 0 EIAALO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000010341087 211166662 /nfs/dbraw/zinc/16/66/62/211166662.db2.gz BXWSRZKEZIYBLJ-UHFFFAOYSA-N 1 2 328.481 4.177 50 0 EIAALO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000010341087 211166666 /nfs/dbraw/zinc/16/66/66/211166666.db2.gz BXWSRZKEZIYBLJ-UHFFFAOYSA-N 1 2 328.481 4.177 50 0 EIAALO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000008940139 211021854 /nfs/dbraw/zinc/02/18/54/211021854.db2.gz QUOORQRBPDMIDV-HUUCEWRRSA-N 1 2 337.423 4.465 50 0 EIAALO Cc1cc(C)cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)c1 ZINC000095385261 218316499 /nfs/dbraw/zinc/31/64/99/218316499.db2.gz ZWRDZUCKWSSZIA-KRWDZBQOSA-N 1 2 325.456 4.101 50 0 EIAALO Cc1sc2nc(C[N@@H+](C)[C@@H](C)c3cccs3)nc(N)c2c1C ZINC000008324642 210934349 /nfs/dbraw/zinc/93/43/49/210934349.db2.gz BJKKDCMAWSFKNY-JTQLQIEISA-N 1 2 332.498 4.145 50 0 EIAALO Cc1sc2nc(C[N@H+](C)[C@@H](C)c3cccs3)nc(N)c2c1C ZINC000008324642 210934352 /nfs/dbraw/zinc/93/43/52/210934352.db2.gz BJKKDCMAWSFKNY-JTQLQIEISA-N 1 2 332.498 4.145 50 0 EIAALO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2-n2cccn2)no1 ZINC000097463469 219025371 /nfs/dbraw/zinc/02/53/71/219025371.db2.gz PBZJXARKPSCIOZ-IBGZPJMESA-N 1 2 340.402 4.035 50 0 EIAALO Cc1cc([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2-n2cccn2)no1 ZINC000097463469 219025372 /nfs/dbraw/zinc/02/53/72/219025372.db2.gz PBZJXARKPSCIOZ-IBGZPJMESA-N 1 2 340.402 4.035 50 0 EIAALO CC(C)CN(C/C=C/c1ccccc1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000055060898 258061314 /nfs/dbraw/zinc/06/13/14/258061314.db2.gz WSWJNBUIBPJBAC-RMKNXTFCSA-N 1 2 333.435 4.146 50 0 EIAALO C[C@@H]1C(=O)N(c2cccc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000037520289 132395096 /nfs/dbraw/zinc/39/50/96/132395096.db2.gz IMFPRXPAMJHQNF-QGZVFWFLSA-N 1 2 330.431 4.077 50 0 EIAALO C[C@@H]1C(=O)N(c2cccc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000037520289 132395097 /nfs/dbraw/zinc/39/50/97/132395097.db2.gz 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O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1C(F)(F)F ZINC000054225615 214224499 /nfs/dbraw/zinc/22/44/99/214224499.db2.gz RBLMRGMJFMQHET-UHFFFAOYSA-N 1 2 349.287 4.283 50 0 EIAALO C[C@@H]([NH2+][C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl ZINC000057816054 214453013 /nfs/dbraw/zinc/45/30/13/214453013.db2.gz JRBMEBKRDFUZIT-DNVCBOLYSA-N 1 2 342.870 4.354 50 0 EIAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NCCC(C)C ZINC000004354773 210179293 /nfs/dbraw/zinc/17/92/93/210179293.db2.gz CGEOJYDYTQTUQY-UHFFFAOYSA-N 1 2 329.835 4.235 50 0 EIAALO Cc1[nH]cc(-c2c(-c3ccccc3)ncn2CCOc2ccccc2)[nH+]1 ZINC000065381485 214880992 /nfs/dbraw/zinc/88/09/92/214880992.db2.gz PYMPYQKYXDMBKR-UHFFFAOYSA-N 1 2 344.418 4.328 50 0 EIAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](Cc2ccoc2)CCO3)s1 ZINC000067739410 215199692 /nfs/dbraw/zinc/19/96/92/215199692.db2.gz RDAQZHRSTUHWCN-UHFFFAOYSA-N 1 2 341.432 4.417 50 0 EIAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](Cc2ccoc2)CCO3)s1 ZINC000067739410 215199694 /nfs/dbraw/zinc/19/96/94/215199694.db2.gz 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212393429 /nfs/dbraw/zinc/39/34/29/212393429.db2.gz BJKKDCMAWSFKNY-SNVBAGLBSA-N 1 2 332.498 4.145 50 0 EIAALO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1nn(C)c2cccc(Cl)c12 ZINC000215899892 241154134 /nfs/dbraw/zinc/15/41/34/241154134.db2.gz LOSARWKUEQHMPS-MRXNPFEDSA-N 1 2 344.846 4.169 50 0 EIAALO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1nn(C)c2cccc(Cl)c12 ZINC000215899892 241154137 /nfs/dbraw/zinc/15/41/37/241154137.db2.gz LOSARWKUEQHMPS-MRXNPFEDSA-N 1 2 344.846 4.169 50 0 EIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1-c1ccc(F)cc1)C1CC1 ZINC000218970817 241356394 /nfs/dbraw/zinc/35/63/94/241356394.db2.gz DFSBYJXHTPUTNC-LJQANCHMSA-N 1 2 349.409 4.107 50 0 EIAALO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)ccc1OCC(C)C ZINC000021720316 212244942 /nfs/dbraw/zinc/24/49/42/212244942.db2.gz CCUHHXZYYOLMCV-GOSISDBHSA-N 1 2 344.455 4.364 50 0 EIAALO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)ccc1OCC(C)C ZINC000021720316 212244947 /nfs/dbraw/zinc/24/49/47/212244947.db2.gz CCUHHXZYYOLMCV-GOSISDBHSA-N 1 2 344.455 4.364 50 0 EIAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(OCC)c2)no1 ZINC000021720608 212244765 /nfs/dbraw/zinc/24/47/65/212244765.db2.gz XPVADBDQEXNNOC-KRWDZBQOSA-N 1 2 330.428 4.069 50 0 EIAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(OCC)c2)no1 ZINC000021720608 212244770 /nfs/dbraw/zinc/24/47/70/212244770.db2.gz XPVADBDQEXNNOC-KRWDZBQOSA-N 1 2 330.428 4.069 50 0 EIAALO c1csc([C@H]2CCCCN2Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000244601962 243044679 /nfs/dbraw/zinc/04/46/79/243044679.db2.gz DVCVOBNJMJNAGA-GOSISDBHSA-N 1 2 338.480 4.115 50 0 EIAALO c1ccc([C@H]2C[C@@H]([NH+]3CCCCC3)Oc3cc4c(cc32)OCO4)cc1 ZINC000020719701 212164247 /nfs/dbraw/zinc/16/42/47/212164247.db2.gz RQQFFNMHVWUEHQ-IERDGZPVSA-N 1 2 337.419 4.142 50 0 EIAALO Clc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000019841194 212073693 /nfs/dbraw/zinc/07/36/93/212073693.db2.gz BLENDBNMHUFZHP-UHFFFAOYSA-N 1 2 335.278 4.311 50 0 EIAALO Clc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019841194 212073695 /nfs/dbraw/zinc/07/36/95/212073695.db2.gz 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ZINC000095356317 218289173 /nfs/dbraw/zinc/28/91/73/218289173.db2.gz RKMCQSXSRVFPNL-GOSISDBHSA-N 1 2 339.483 4.320 50 0 EIAALO Cc1nnc([C@@H]([NH2+][C@H]2CCSc3ccccc32)c2ccccc2)[nH]1 ZINC000095421725 218364098 /nfs/dbraw/zinc/36/40/98/218364098.db2.gz YAKJTIOGGFUHPK-WMZOPIPTSA-N 1 2 336.464 4.029 50 0 EIAALO COc1ccc2c(c1)[nH+]ccc2OCc1csc([C@@H]2CCCO2)n1 ZINC000095442471 218387121 /nfs/dbraw/zinc/38/71/21/218387121.db2.gz AEIURQGOERGEDO-KRWDZBQOSA-N 1 2 342.420 4.130 50 0 EIAALO CCOc1ccccc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000055292068 132194798 /nfs/dbraw/zinc/19/47/98/132194798.db2.gz SIIKWHLAVIDPFN-UHFFFAOYSA-N 1 2 348.849 4.200 50 0 EIAALO Fc1ccc(N2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)cc1 ZINC000055543160 132195619 /nfs/dbraw/zinc/19/56/19/132195619.db2.gz VHSUZEDXXWMIDP-UHFFFAOYSA-N 1 2 339.241 4.455 50 0 EIAALO C[C@H]1C(=O)N(c2cccc3ccccc32)CC[N@H+]1Cc1ccc(F)cc1 ZINC000037287842 132393994 /nfs/dbraw/zinc/39/39/94/132393994.db2.gz KKAOCKWQFQBJQA-INIZCTEOSA-N 1 2 348.421 4.216 50 0 EIAALO C[C@H]1C(=O)N(c2cccc3ccccc32)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000037287842 132393997 /nfs/dbraw/zinc/39/39/97/132393997.db2.gz KKAOCKWQFQBJQA-INIZCTEOSA-N 1 2 348.421 4.216 50 0 EIAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc(Cl)cc2C)C(=O)[C@H]1C ZINC000037520218 132395099 /nfs/dbraw/zinc/39/50/99/132395099.db2.gz VLESIRUNJSPMHC-MRXNPFEDSA-N 1 2 342.870 4.194 50 0 EIAALO Cc1ccccc1C[N@H+]1CCN(c2ccc(Cl)cc2C)C(=O)[C@H]1C ZINC000037520218 132395100 /nfs/dbraw/zinc/39/51/00/132395100.db2.gz VLESIRUNJSPMHC-MRXNPFEDSA-N 1 2 342.870 4.194 50 0 EIAALO Cc1[nH+]cc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 ZINC000095626706 414746111 /nfs/dbraw/zinc/74/61/11/414746111.db2.gz DDLIGBOFAVUZHB-UHFFFAOYSA-N 1 2 325.774 4.324 50 0 fda EIAALO Cc1[nH]ncc1C[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000338776702 564079285 /nfs/dbraw/zinc/07/92/85/564079285.db2.gz LVCKZHPICOQUDR-MRXNPFEDSA-N 1 2 334.261 4.038 50 0 EIAALO Fc1ccc(C(OCCCc2c[nH]c[nH+]2)c2ccc(F)cc2)cc1 ZINC000002244332 563427616 /nfs/dbraw/zinc/42/76/16/563427616.db2.gz 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ZINC000012942306 563678305 /nfs/dbraw/zinc/67/83/05/563678305.db2.gz GUOWDPYRQXKBPR-CQSZACIVSA-N 1 2 339.464 4.236 50 0 EIAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccccc3Cl)n2)C1 ZINC000013016358 563685452 /nfs/dbraw/zinc/68/54/52/563685452.db2.gz WYJMVHOZIKBCHA-LBPRGKRZSA-N 1 2 349.887 4.281 50 0 EIAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccccc3Cl)n2)C1 ZINC000013016358 563685455 /nfs/dbraw/zinc/68/54/55/563685455.db2.gz WYJMVHOZIKBCHA-LBPRGKRZSA-N 1 2 349.887 4.281 50 0 EIAALO C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000032916348 563814481 /nfs/dbraw/zinc/81/44/81/563814481.db2.gz BQEIUYPGZJQNJF-INIZCTEOSA-N 1 2 349.482 4.153 50 0 EIAALO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000032916348 563814485 /nfs/dbraw/zinc/81/44/85/563814485.db2.gz BQEIUYPGZJQNJF-INIZCTEOSA-N 1 2 349.482 4.153 50 0 EIAALO COc1ccc(-n2c[nH+]c3cc(NCc4ccccn4)ccc32)cc1 ZINC000017440339 563844450 /nfs/dbraw/zinc/84/44/50/563844450.db2.gz AWOASPZWSBGCON-UHFFFAOYSA-N 1 2 330.391 4.041 50 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CCC[C@@H](C)c1c(-c2ccccc2)[nH+]cn1Cc1nnc2n1CCC2 ZINC000065409885 563960467 /nfs/dbraw/zinc/96/04/67/563960467.db2.gz ZGHBPTJPJABHPO-OAHLLOKOSA-N 1 2 335.455 4.040 50 0 EIAALO c1[nH+]c(-c2ccccc2)c([C@H]2CCOC2)n1CCNc1ccccc1 ZINC000065452005 563961079 /nfs/dbraw/zinc/96/10/79/563961079.db2.gz BKZIJOYBHMZCCQ-SFHVURJKSA-N 1 2 333.435 4.166 50 0 EIAALO c1cn(CCc2nc(-c3ccccc3)cs2)c(-c2ccncc2)[nH+]1 ZINC000071405819 563964300 /nfs/dbraw/zinc/96/43/00/563964300.db2.gz UDJHEKQGQGRYEJ-UHFFFAOYSA-N 1 2 332.432 4.311 50 0 EIAALO Cc1ccc(-c2ccnc(N[C@@H](c3ncccc3C)C3CC3)n2)c(C)[nH+]1 ZINC000071749561 563965045 /nfs/dbraw/zinc/96/50/45/563965045.db2.gz YUJIYGUQYYBNDT-HXUWFJFHSA-N 1 2 345.450 4.422 50 0 EIAALO CSc1ccc2c(C)cc(N3CCO[C@@H](C(F)(F)F)C3)[nH+]c2c1 ZINC000071752126 563965167 /nfs/dbraw/zinc/96/51/67/563965167.db2.gz AGOKDGFIYYPQKZ-CQSZACIVSA-N 1 2 342.386 4.033 50 0 EIAALO CC(C)CCNC(=O)c1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000033264730 563966492 /nfs/dbraw/zinc/96/64/92/563966492.db2.gz 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NQNOESQXMLQCOC-UHFFFAOYSA-N 1 2 338.455 4.010 50 0 EIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)cc3)c2C1 ZINC000023485682 212379302 /nfs/dbraw/zinc/37/93/02/212379302.db2.gz XOJLUIJWQDLGFT-UHFFFAOYSA-N 1 2 349.409 4.004 50 0 EIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)cc3)c2C1 ZINC000023485682 212379306 /nfs/dbraw/zinc/37/93/06/212379306.db2.gz XOJLUIJWQDLGFT-UHFFFAOYSA-N 1 2 349.409 4.004 50 0 EIAALO Cc1[nH]c([C@@H]2CC(=O)N(c3cccc(F)c3)C2)[nH+]c1-c1ccccc1 ZINC000023311308 212367329 /nfs/dbraw/zinc/36/73/29/212367329.db2.gz LAJQTXXPSJOHLE-OAHLLOKOSA-N 1 2 335.382 4.045 50 0 EIAALO CCc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2C(C)=O)cc1 ZINC000225782182 242031703 /nfs/dbraw/zinc/03/17/03/242031703.db2.gz AVUMMCKSKHFTQA-OAQYLSRUSA-N 1 2 335.451 4.013 50 0 EIAALO COc1cccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)c1OC ZINC000021720418 212244236 /nfs/dbraw/zinc/24/42/36/212244236.db2.gz VZLCDPVONDSHJA-INIZCTEOSA-N 1 2 330.428 4.152 50 0 EIAALO COc1cccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)c1OC ZINC000021720418 212244240 /nfs/dbraw/zinc/24/42/40/212244240.db2.gz VZLCDPVONDSHJA-INIZCTEOSA-N 1 2 330.428 4.152 50 0 EIAALO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229679908 242187808 /nfs/dbraw/zinc/18/78/08/242187808.db2.gz FAYQCTPDKHVNEW-WCQYABFASA-N 1 2 325.334 4.072 50 0 EIAALO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229679908 242187814 /nfs/dbraw/zinc/18/78/14/242187814.db2.gz FAYQCTPDKHVNEW-WCQYABFASA-N 1 2 325.334 4.072 50 0 EIAALO CCCCn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)cc2)c1=[NH2+] ZINC000019832389 212072761 /nfs/dbraw/zinc/07/27/61/212072761.db2.gz NVBRUDUQVFCLRC-GOSISDBHSA-N 1 2 343.858 4.109 50 0 EIAALO CCOc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000019788217 212066659 /nfs/dbraw/zinc/06/66/59/212066659.db2.gz YCCKHBGJOREDRL-UHFFFAOYSA-N 1 2 344.886 4.057 50 0 EIAALO Clc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019536826 212039723 /nfs/dbraw/zinc/03/97/23/212039723.db2.gz MGBRYJYHSDUUQZ-QPJJXVBHSA-N 1 2 326.871 4.171 50 0 EIAALO O=C(c1ccccc1)C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000014110428 211684359 /nfs/dbraw/zinc/68/43/59/211684359.db2.gz LVLYMVMZEQHIBD-UHFFFAOYSA-N 1 2 336.460 4.391 50 0 EIAALO Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH]cc[nH+]2)c1 ZINC000012299828 211337728 /nfs/dbraw/zinc/33/77/28/211337728.db2.gz VSQLXOHWYRWRCV-JOCHJYFZSA-N 1 2 342.446 4.347 50 0 EIAALO CC(C)C[C@@H](O)c1ccc2c(c1)C[N@@H+](Cc1ccccc1F)CCO2 ZINC000012100307 211291004 /nfs/dbraw/zinc/29/10/04/211291004.db2.gz LKCDGSLARWWGNJ-HXUWFJFHSA-N 1 2 343.442 4.300 50 0 EIAALO CC(C)C[C@@H](O)c1ccc2c(c1)C[N@H+](Cc1ccccc1F)CCO2 ZINC000012100307 211291010 /nfs/dbraw/zinc/29/10/10/211291010.db2.gz LKCDGSLARWWGNJ-HXUWFJFHSA-N 1 2 343.442 4.300 50 0 EIAALO Cc1[nH]c2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2[nH+]1 ZINC000010657003 211183870 /nfs/dbraw/zinc/18/38/70/211183870.db2.gz SCUYVPOUAFFPMZ-UHFFFAOYSA-N 1 2 332.407 4.314 50 0 EIAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000095377276 218310431 /nfs/dbraw/zinc/31/04/31/218310431.db2.gz NMQINKIFEAVHBM-GOSISDBHSA-N 1 2 348.450 4.032 50 0 EIAALO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000008754095 211001394 /nfs/dbraw/zinc/00/13/94/211001394.db2.gz BPOHKINPKBBADN-NSHDSACASA-N 1 2 341.238 4.354 50 0 EIAALO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000008754095 211001398 /nfs/dbraw/zinc/00/13/98/211001398.db2.gz BPOHKINPKBBADN-NSHDSACASA-N 1 2 341.238 4.354 50 0 EIAALO Cc1cccn2c(CC(=O)N[C@@H](C)CC(C)(C)c3ccccc3)c[nH+]c12 ZINC000097601032 219040138 /nfs/dbraw/zinc/04/01/38/219040138.db2.gz OMQIDOHWMAHHCN-KRWDZBQOSA-N 1 2 349.478 4.058 50 0 EIAALO c1csc([C@@H]2CCCCN2Cc2c[nH+]c(CC3CCCC3)[nH]2)n1 ZINC000097594896 219037390 /nfs/dbraw/zinc/03/73/90/219037390.db2.gz ZWHGOJNUSKXGDD-INIZCTEOSA-N 1 2 330.501 4.326 50 0 EIAALO c1csc([C@@H]2CCCCN2Cc2c[nH]c(CC3CCCC3)[nH+]2)n1 ZINC000097594896 219037392 /nfs/dbraw/zinc/03/73/92/219037392.db2.gz ZWHGOJNUSKXGDD-INIZCTEOSA-N 1 2 330.501 4.326 50 0 EIAALO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(O)c2)Cc2ccc(Cl)cc2O1 ZINC000299798539 258102529 /nfs/dbraw/zinc/10/25/29/258102529.db2.gz SVVNNBFKKOGYBM-MRXNPFEDSA-N 1 2 347.842 4.227 50 0 EIAALO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(O)c2)Cc2ccc(Cl)cc2O1 ZINC000299798539 258102530 /nfs/dbraw/zinc/10/25/30/258102530.db2.gz SVVNNBFKKOGYBM-MRXNPFEDSA-N 1 2 347.842 4.227 50 0 EIAALO CC(C)CCC[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000032809234 258058476 /nfs/dbraw/zinc/05/84/76/258058476.db2.gz PYMUASBZNSYIDF-FUHWJXTLSA-N 1 2 342.487 4.024 50 0 EIAALO Fc1cccc(Cl)c1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055292317 132194865 /nfs/dbraw/zinc/19/48/65/132194865.db2.gz ZFTCZFWMRBWQSS-UHFFFAOYSA-N 1 2 339.241 4.455 50 0 EIAALO COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1Br ZINC000000239732 564012079 /nfs/dbraw/zinc/01/20/79/564012079.db2.gz SIJGYHUCFYARBW-UHFFFAOYSA-N 1 2 332.241 4.016 50 0 EIAALO COc1ccc(C[N@H+]2CCc3ccccc3C2)cc1Br ZINC000000239732 564012080 /nfs/dbraw/zinc/01/20/80/564012080.db2.gz SIJGYHUCFYARBW-UHFFFAOYSA-N 1 2 332.241 4.016 50 0 EIAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000000307177 563278457 /nfs/dbraw/zinc/27/84/57/563278457.db2.gz MTQITLUMPNUEFZ-HNNXBMFYSA-N 1 2 344.842 4.082 50 0 EIAALO O=C(O[C@@H]1/C(=C/c2ccccc2F)[NH+]2CCC1CC2)c1ccccc1 ZINC000001406527 563388136 /nfs/dbraw/zinc/38/81/36/563388136.db2.gz SOHOEVQNGGLRPU-STIKNRRDSA-N 1 2 337.394 4.118 50 0 EIAALO Cc1cc(N2CCN(c3ccc(F)cc3)CC2)[nH+]c2cc(F)ccc12 ZINC000004981912 563517342 /nfs/dbraw/zinc/51/73/42/563517342.db2.gz NRWYUALUNVBRHS-UHFFFAOYSA-N 1 2 339.389 4.148 50 0 EIAALO CCc1[nH+]ccn1-c1cc(C(C)C)nc2c(-c3ccccc3)cnn21 ZINC000005206742 563522861 /nfs/dbraw/zinc/52/28/61/563522861.db2.gz MJXZZZBUGALAIT-UHFFFAOYSA-N 1 2 331.423 4.268 50 0 EIAALO Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1C ZINC000012796243 563672719 /nfs/dbraw/zinc/67/27/19/563672719.db2.gz NFMVNKIKLNWKQH-ZDUSSCGKSA-N 1 2 343.496 4.244 50 0 EIAALO Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1C ZINC000012796243 563672721 /nfs/dbraw/zinc/67/27/21/563672721.db2.gz NFMVNKIKLNWKQH-ZDUSSCGKSA-N 1 2 343.496 4.244 50 0 EIAALO CC(C)(C)c1[nH]c2ccc(NC(=O)Cc3ccccc3F)cc2[nH+]1 ZINC000032721223 563703168 /nfs/dbraw/zinc/70/31/68/563703168.db2.gz CFTKXVUEUINIOT-UHFFFAOYSA-N 1 2 325.387 4.181 50 0 EIAALO COc1cccc(CC(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c1 ZINC000032721218 563703284 /nfs/dbraw/zinc/70/32/84/563703284.db2.gz COSQTXYPWQIQTO-UHFFFAOYSA-N 1 2 337.423 4.050 50 0 EIAALO CSc1ccc(C[N@H+](C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000032913837 563807078 /nfs/dbraw/zinc/80/70/78/563807078.db2.gz VZIISFIPHLSAFM-UHFFFAOYSA-N 1 2 339.464 4.399 50 0 EIAALO CSc1ccc(C[N@@H+](C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000032913837 563807080 /nfs/dbraw/zinc/80/70/80/563807080.db2.gz VZIISFIPHLSAFM-UHFFFAOYSA-N 1 2 339.464 4.399 50 0 EIAALO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000024250683 563870162 /nfs/dbraw/zinc/87/01/62/563870162.db2.gz IBPVFFGRSKZYPW-SNVBAGLBSA-N 1 2 335.379 4.269 50 0 EIAALO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000024250683 563870164 /nfs/dbraw/zinc/87/01/64/563870164.db2.gz IBPVFFGRSKZYPW-SNVBAGLBSA-N 1 2 335.379 4.269 50 0 EIAALO CC(C)OCc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000025172458 563881955 /nfs/dbraw/zinc/88/19/55/563881955.db2.gz KAGVWZCNWLQESR-UHFFFAOYSA-N 1 2 349.434 4.109 50 0 EIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCC2)cc1Cl ZINC000028406051 563902803 /nfs/dbraw/zinc/90/28/03/563902803.db2.gz ZPEPLFZPUGAAQA-UHFFFAOYSA-N 1 2 327.819 4.132 50 0 EIAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1occc1-c1ccccc1 ZINC000029928651 563908898 /nfs/dbraw/zinc/90/88/98/563908898.db2.gz MWRWTGTWMLLVLR-UHFFFAOYSA-N 1 2 345.402 4.035 50 0 EIAALO COc1cc(C[N@H+](C)[C@H](C)c2nc(C(C)C)no2)ccc1SC ZINC000060356190 563933037 /nfs/dbraw/zinc/93/30/37/563933037.db2.gz YCBJRUYWSWEXCP-GFCCVEGCSA-N 1 2 335.473 4.117 50 0 EIAALO COc1cc(C[N@@H+](C)[C@H](C)c2nc(C(C)C)no2)ccc1SC ZINC000060356190 563933038 /nfs/dbraw/zinc/93/30/38/563933038.db2.gz YCBJRUYWSWEXCP-GFCCVEGCSA-N 1 2 335.473 4.117 50 0 EIAALO Cc1cc(N)nc(S[C@@H](C)c2ccc(OC(F)(F)F)cc2)[nH+]1 ZINC000072031450 563939975 /nfs/dbraw/zinc/93/99/75/563939975.db2.gz ORVCBIJUSJIJAJ-VIFPVBQESA-N 1 2 329.347 4.119 50 0 EIAALO CSc1ccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1F ZINC000096461740 563954063 /nfs/dbraw/zinc/95/40/63/563954063.db2.gz ZDIIQLNZMZFNPV-ZDUSSCGKSA-N 1 2 334.420 4.030 50 0 EIAALO CSCc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000096461736 563954077 /nfs/dbraw/zinc/95/40/77/563954077.db2.gz HHWHIWYXPAXCMJ-OAHLLOKOSA-N 1 2 330.457 4.032 50 0 EIAALO Cc1[nH]cc(-c2c(-c3ccccc3)ncn2CCNc2ccccc2)[nH+]1 ZINC000065396523 563959792 /nfs/dbraw/zinc/95/97/92/563959792.db2.gz UEDZBTSRJRDAIJ-UHFFFAOYSA-N 1 2 343.434 4.361 50 0 EIAALO CS[C@H](C)Cc1c(-c2ccccc2)[nH+]cn1CCc1ccccn1 ZINC000065469514 563961393 /nfs/dbraw/zinc/96/13/93/563961393.db2.gz VUYVZTNNJKOBFD-MRXNPFEDSA-N 1 2 337.492 4.482 50 0 EIAALO Cc1cccc([C@H](Nc2nccc(-c3ccc(C)[nH+]c3C)n2)C2CC2)n1 ZINC000071589522 563964587 /nfs/dbraw/zinc/96/45/87/563964587.db2.gz YBRGNBLMMUWBJT-HXUWFJFHSA-N 1 2 345.450 4.422 50 0 EIAALO Fc1ccc(-c2[nH+]ccn2[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000071735911 563964885 /nfs/dbraw/zinc/96/48/85/563964885.db2.gz WXBBBXNBLZULGP-LJQANCHMSA-N 1 2 332.382 4.175 50 0 EIAALO Fc1c[nH+]ccc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071774656 563965705 /nfs/dbraw/zinc/96/57/05/563965705.db2.gz ITUWYMVJGZSMJA-OAHLLOKOSA-N 1 2 327.186 4.105 50 0 EIAALO CC(C)c1noc([C@H]2CCCN2Cc2c[nH+]cn2C2CCCCC2)n1 ZINC000077285639 563968691 /nfs/dbraw/zinc/96/86/91/563968691.db2.gz IODCLVHHPUABOC-QGZVFWFLSA-N 1 2 343.475 4.232 50 0 EIAALO CCCCc1nc(Cl)c(C[NH+]2CCC(c3n[nH]cc3CC)CC2)[nH]1 ZINC000077406848 563969491 /nfs/dbraw/zinc/96/94/91/563969491.db2.gz PUKFNZHYGJSKSR-UHFFFAOYSA-N 1 2 349.910 4.071 50 0 EIAALO Cc1cc(C)c(NC(=O)CCc2cccc(Br)c2)c(C)[nH+]1 ZINC000096998049 563970911 /nfs/dbraw/zinc/97/09/11/563970911.db2.gz WWQMLHIDFDPTFI-UHFFFAOYSA-N 1 2 347.256 4.341 50 0 EIAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1NC1CCCCC1 ZINC000000071608 563974390 /nfs/dbraw/zinc/97/43/90/563974390.db2.gz AIPLEYOFTSZJKP-UHFFFAOYSA-N 1 2 328.412 4.165 50 0 EIAALO Clc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000000082085 563974887 /nfs/dbraw/zinc/97/48/87/563974887.db2.gz IINKJRJYJQONCI-UHFFFAOYSA-N 1 2 335.798 4.081 50 0 EIAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cnc3ccccc3c2)CC1 ZINC000091321891 563975290 /nfs/dbraw/zinc/97/52/90/563975290.db2.gz TUTBCWRFRGULPT-UHFFFAOYSA-N 1 2 348.450 4.032 50 0 EIAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCCC2)cc1 ZINC000000425610 563998966 /nfs/dbraw/zinc/99/89/66/563998966.db2.gz AFXMEJKYKOQKHY-UHFFFAOYSA-N 1 2 327.819 4.214 50 0 EIAALO Cc1cccc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000005551602 564005287 /nfs/dbraw/zinc/00/52/87/564005287.db2.gz YMGHSZFHHBDYKX-UHFFFAOYSA-N 1 2 332.432 4.416 50 0 EIAALO Clc1ccc(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000000426448 564012599 /nfs/dbraw/zinc/01/25/99/564012599.db2.gz VNDQPSBATCLKPS-UHFFFAOYSA-N 1 2 349.825 4.124 50 0 EIAALO C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048018 564017810 /nfs/dbraw/zinc/01/78/10/564017810.db2.gz RUWNAFXJLBDIMQ-CQSZACIVSA-N 1 2 331.375 4.110 50 0 EIAALO Cc1cc(C)n(-c2c(F)c(F)c(C[NH+]3CCCCC3)c(F)c2F)n1 ZINC000000519905 564020556 /nfs/dbraw/zinc/02/05/56/564020556.db2.gz LDGPWKHEEFQZBY-UHFFFAOYSA-N 1 2 341.352 4.031 50 0 EIAALO CC[C@H](C)n1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1C1CC1 ZINC000120624673 564027663 /nfs/dbraw/zinc/02/76/63/564027663.db2.gz XQVSXEDJMIXIQZ-AWEZNQCLSA-N 1 2 349.438 4.170 50 0 EIAALO CSc1ccc(Cl)c(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000045859966 564028710 /nfs/dbraw/zinc/02/87/10/564028710.db2.gz HXNCSEBOPWFNOT-UHFFFAOYSA-N 1 2 343.839 4.500 50 0 EIAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000008136248 564034775 /nfs/dbraw/zinc/03/47/75/564034775.db2.gz GCNFCEKAEOBSNS-UHFFFAOYSA-N 1 2 331.778 4.030 50 0 EIAALO Cn1cc[nH+]c1CCCOC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000225607792 564048318 /nfs/dbraw/zinc/04/83/18/564048318.db2.gz IQJDHBYTOLAPSO-UHFFFAOYSA-N 1 2 344.798 4.123 50 0 EIAALO CC(C)N(C)c1cccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000084597190 564068909 /nfs/dbraw/zinc/06/89/09/564068909.db2.gz XELYCLQJAVBNSR-KRWDZBQOSA-N 1 2 341.459 4.013 50 0 EIAALO CCC[NH+]1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 ZINC000084755324 564070069 /nfs/dbraw/zinc/07/00/69/564070069.db2.gz NJHRTWUTYAPLJT-UHFFFAOYSA-N 1 2 344.505 4.284 50 0 EIAALO COc1ccc([C@H]([NH2+]Cc2nc(C)cs2)c2ccc(F)cc2)cc1 ZINC000117384116 564077312 /nfs/dbraw/zinc/07/73/12/564077312.db2.gz XSFKDUNHNCZJSM-LJQANCHMSA-N 1 2 342.439 4.478 50 0 EIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(C)c3)c2C1 ZINC000012938999 564079407 /nfs/dbraw/zinc/07/94/07/564079407.db2.gz VIHGKKFQKYJKHI-UHFFFAOYSA-N 1 2 345.446 4.174 50 0 EIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(C)c3)c2C1 ZINC000012938999 564079408 /nfs/dbraw/zinc/07/94/08/564079408.db2.gz VIHGKKFQKYJKHI-UHFFFAOYSA-N 1 2 345.446 4.174 50 0 EIAALO O=C(Cc1ccccc1F)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575619930 564083839 /nfs/dbraw/zinc/08/38/39/564083839.db2.gz NFSHMUHPWTVOPQ-UHFFFAOYSA-N 1 2 349.409 4.207 50 0 EIAALO CCc1[nH]c2cc(CCC(=O)N[C@H](C)CCc3ccccc3)ccc2[nH+]1 ZINC000075465565 564085942 /nfs/dbraw/zinc/08/59/42/564085942.db2.gz BEWYISASHHXDAF-MRXNPFEDSA-N 1 2 349.478 4.195 50 0 EIAALO CCc1[nH]c2ccc(CCC(=O)N[C@H](C)CCc3ccccc3)cc2[nH+]1 ZINC000075465565 564085943 /nfs/dbraw/zinc/08/59/43/564085943.db2.gz BEWYISASHHXDAF-MRXNPFEDSA-N 1 2 349.478 4.195 50 0 EIAALO CC(C)[C@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000248174661 564089265 /nfs/dbraw/zinc/08/92/65/564089265.db2.gz UYKZENZPHNDGRF-QRWLVFNGSA-N 1 2 342.508 4.181 50 0 EIAALO CC(C)[C@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000248174661 564089266 /nfs/dbraw/zinc/08/92/66/564089266.db2.gz UYKZENZPHNDGRF-QRWLVFNGSA-N 1 2 342.508 4.181 50 0 EIAALO Cc1ccc(NC(=O)c2cccn2-c2ccc[nH+]c2C)cc1Cl ZINC000064839223 564096702 /nfs/dbraw/zinc/09/67/02/564096702.db2.gz RQDHJOPGGTYYJA-UHFFFAOYSA-N 1 2 325.799 4.395 50 0 EIAALO CCCNC(=O)c1ccc(-c2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000065178230 564102525 /nfs/dbraw/zinc/10/25/25/564102525.db2.gz RGENMUHYUXYWAX-UHFFFAOYSA-N 1 2 337.467 4.269 50 0 EIAALO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000007266093 564106153 /nfs/dbraw/zinc/10/61/53/564106153.db2.gz MBSNTDPBBCEVGM-GFCCVEGCSA-N 1 2 343.298 4.263 50 0 EIAALO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000007266093 564106154 /nfs/dbraw/zinc/10/61/54/564106154.db2.gz MBSNTDPBBCEVGM-GFCCVEGCSA-N 1 2 343.298 4.263 50 0 EIAALO CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1(C)C ZINC000065493378 564106470 /nfs/dbraw/zinc/10/64/70/564106470.db2.gz ICYFQUSHKHYEBU-PBHICJAKSA-N 1 2 327.403 4.188 50 0 EIAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007343826 564107267 /nfs/dbraw/zinc/10/72/67/564107267.db2.gz CPGZGGGYZVYBAX-UHFFFAOYSA-N 1 2 334.206 4.290 50 0 EIAALO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(Br)o1 ZINC000192945391 564109550 /nfs/dbraw/zinc/10/95/50/564109550.db2.gz NJCDBFMIJGRZCQ-VIFPVBQESA-N 1 2 327.222 4.006 50 0 EIAALO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000252011142 564116299 /nfs/dbraw/zinc/11/62/99/564116299.db2.gz SDDUJUBMPTYJCA-HUUCEWRRSA-N 1 2 342.508 4.107 50 0 EIAALO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000252011142 564116300 /nfs/dbraw/zinc/11/63/00/564116300.db2.gz SDDUJUBMPTYJCA-HUUCEWRRSA-N 1 2 342.508 4.107 50 0 EIAALO Cc1cc(Br)cc(N[C@@H](c2[nH]cc[nH+]2)c2cccnc2)c1 ZINC000195122455 564122817 /nfs/dbraw/zinc/12/28/17/564122817.db2.gz WDVJDCSZFCJHOW-OAHLLOKOSA-N 1 2 343.228 4.077 50 0 EIAALO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)Cc2ccsc2)c1Cl ZINC000007926836 564125579 /nfs/dbraw/zinc/12/55/79/564125579.db2.gz KCPVJXUPOGMHTO-UHFFFAOYSA-N 1 2 343.279 4.434 50 0 EIAALO Cc1ccc(Cl)c(NC(=O)C[N@H+](C)Cc2ccsc2)c1Cl ZINC000007926836 564125580 /nfs/dbraw/zinc/12/55/80/564125580.db2.gz KCPVJXUPOGMHTO-UHFFFAOYSA-N 1 2 343.279 4.434 50 0 EIAALO CC(C)CNC(=O)c1ccc(NCc2[nH+]ccn2C(C)C)cc1Cl ZINC000095965275 564142949 /nfs/dbraw/zinc/14/29/49/564142949.db2.gz ZDXFXPFJJAKXFR-UHFFFAOYSA-N 1 2 348.878 4.115 50 0 EIAALO O=C(Cc1c(F)cccc1Cl)Nc1cc[nH+]cc1N1CCCCC1 ZINC000096012126 564144735 /nfs/dbraw/zinc/14/47/35/564144735.db2.gz UVXFLILIUOYRSV-UHFFFAOYSA-N 1 2 347.821 4.046 50 0 EIAALO C[C@@H]1CCCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000003283474 564156944 /nfs/dbraw/zinc/15/69/44/564156944.db2.gz UNDWBEVAWGGZFA-CYBMUJFWSA-N 1 2 339.464 4.026 50 0 EIAALO C[C@@H]1CCCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000003283474 564156945 /nfs/dbraw/zinc/15/69/45/564156945.db2.gz UNDWBEVAWGGZFA-CYBMUJFWSA-N 1 2 339.464 4.026 50 0 EIAALO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000007985176 564161814 /nfs/dbraw/zinc/16/18/14/564161814.db2.gz YHCDUBICOFIDPD-MRXNPFEDSA-N 1 2 340.467 4.278 50 0 EIAALO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000007985176 564161815 /nfs/dbraw/zinc/16/18/15/564161815.db2.gz YHCDUBICOFIDPD-MRXNPFEDSA-N 1 2 340.467 4.278 50 0 EIAALO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CCC1 ZINC000069520280 564170140 /nfs/dbraw/zinc/17/01/40/564170140.db2.gz JVOBPCVLNNZIJD-UHFFFAOYSA-N 1 2 345.446 4.015 50 0 EIAALO CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000952966251 1049684789 /nfs/dbraw/zinc/68/47/89/1049684789.db2.gz GLZXLWMINWTTDZ-UHFFFAOYSA-N 1 2 332.444 4.008 50 0 EIAALO CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000952966251 1049684792 /nfs/dbraw/zinc/68/47/92/1049684792.db2.gz GLZXLWMINWTTDZ-UHFFFAOYSA-N 1 2 332.444 4.008 50 0 EIAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000581808161 1060016917 /nfs/dbraw/zinc/01/69/17/1060016917.db2.gz QUWYZOQDZKZGGU-IBGZPJMESA-N 1 2 346.434 4.337 50 0 EIAALO CC[C@H]1c2ccsc2CC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000051499929 214095232 /nfs/dbraw/zinc/09/52/32/214095232.db2.gz FINMAHRGAXCPFZ-AWEZNQCLSA-N 1 2 342.493 4.171 50 0 EIAALO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000051499929 214095236 /nfs/dbraw/zinc/09/52/36/214095236.db2.gz FINMAHRGAXCPFZ-AWEZNQCLSA-N 1 2 342.493 4.171 50 0 EIAALO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000051499928 214095841 /nfs/dbraw/zinc/09/58/41/214095841.db2.gz FINMAHRGAXCPFZ-CQSZACIVSA-N 1 2 342.493 4.171 50 0 EIAALO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000051499928 214095842 /nfs/dbraw/zinc/09/58/42/214095842.db2.gz FINMAHRGAXCPFZ-CQSZACIVSA-N 1 2 342.493 4.171 50 0 EIAALO Cc1cccn2cc(-c3ccc(NC(=O)CC[C@@H]4CCCO4)cc3)[nH+]c12 ZINC000053837720 214201237 /nfs/dbraw/zinc/20/12/37/214201237.db2.gz KWWQMCLDWMXGJM-SFHVURJKSA-N 1 2 349.434 4.207 50 0 EIAALO Cc1ccc(C)c(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000055254525 214296841 /nfs/dbraw/zinc/29/68/41/214296841.db2.gz YUUYLXLFIVNKLG-UHFFFAOYSA-N 1 2 339.464 4.131 50 0 EIAALO Fc1ccc([C@H]([NH2+]Cc2nc(-c3ccco3)no2)c2ccccc2)cc1 ZINC000055855307 214345060 /nfs/dbraw/zinc/34/50/60/214345060.db2.gz YBAOXSQFAGEKBK-LJQANCHMSA-N 1 2 349.365 4.348 50 0 EIAALO O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000058012630 214471477 /nfs/dbraw/zinc/47/14/77/214471477.db2.gz VVWBPPNXOCEOKN-SFHVURJKSA-N 1 2 334.891 4.316 50 0 EIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N[C@H](C)c2ccccc2)cc1 ZINC000004354988 210179259 /nfs/dbraw/zinc/17/92/59/210179259.db2.gz AXFRDGWJMVXSNR-OAHLLOKOSA-N 1 2 329.407 4.297 50 0 EIAALO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccccc1F ZINC000003327214 210007785 /nfs/dbraw/zinc/00/77/85/210007785.db2.gz BPNUTYWGPMKDHK-UHFFFAOYSA-N 1 2 341.213 4.203 50 0 EIAALO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccccc1F ZINC000003327214 210007787 /nfs/dbraw/zinc/00/77/87/210007787.db2.gz BPNUTYWGPMKDHK-UHFFFAOYSA-N 1 2 341.213 4.203 50 0 EIAALO CNc1ccc(Nc2ncnc3sc4c(c32)CCCCC4)c[nH+]1 ZINC000040135248 213270970 /nfs/dbraw/zinc/27/09/70/213270970.db2.gz CGFKSXZHPGKLLG-UHFFFAOYSA-N 1 2 325.441 4.141 50 0 EIAALO CC(C)C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1Cc1ccc(CO)o1 ZINC000039499941 213238046 /nfs/dbraw/zinc/23/80/46/213238046.db2.gz MWIBYGLUVKLSAV-FQEVSTJZSA-N 1 2 338.451 4.399 50 0 EIAALO CC(C)C[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1Cc1ccc(CO)o1 ZINC000039499941 213238050 /nfs/dbraw/zinc/23/80/50/213238050.db2.gz MWIBYGLUVKLSAV-FQEVSTJZSA-N 1 2 338.451 4.399 50 0 EIAALO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccc(Br)cc1 ZINC000037494639 213148856 /nfs/dbraw/zinc/14/88/56/213148856.db2.gz BOGJLKHJDLDULZ-UHFFFAOYSA-N 1 2 342.196 4.092 50 0 EIAALO Fc1ccc(F)c(C[N@H+]2CCCn3cccc3[C@@H]2c2ccoc2)c1 ZINC000036348290 213085060 /nfs/dbraw/zinc/08/50/60/213085060.db2.gz BKRLFOJJXGEEJO-IBGZPJMESA-N 1 2 328.362 4.355 50 0 EIAALO Fc1ccc(F)c(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccoc2)c1 ZINC000036348290 213085056 /nfs/dbraw/zinc/08/50/56/213085056.db2.gz BKRLFOJJXGEEJO-IBGZPJMESA-N 1 2 328.362 4.355 50 0 EIAALO Oc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000035615918 213042151 /nfs/dbraw/zinc/04/21/51/213042151.db2.gz SDOUZDLVDYISOW-UHFFFAOYSA-N 1 2 345.358 4.179 50 0 EIAALO CC(C)n1cc[nH+]c1-c1cc(NCc2ccncc2)nc2[nH]ccc21 ZINC000072125599 216016176 /nfs/dbraw/zinc/01/61/76/216016176.db2.gz FWFUAONRAOAYFA-UHFFFAOYSA-N 1 2 332.411 4.014 50 0 EIAALO Cc1cccc(Cl)c1NC(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000072147118 216033621 /nfs/dbraw/zinc/03/36/21/216033621.db2.gz ROUYCCWZLPFMQB-OAHLLOKOSA-N 1 2 346.862 4.322 50 0 EIAALO CC(=O)Nc1ccc(-c2[nH+]ccn2-c2cnc3ccccc3c2)cc1 ZINC000072148521 216035363 /nfs/dbraw/zinc/03/53/63/216035363.db2.gz OSUUYOLFOCERDI-UHFFFAOYSA-N 1 2 328.375 4.046 50 0 EIAALO COc1ccccc1-c1[nH+]ccn1[C@@H](C)c1ccccc1-n1cccn1 ZINC000072165810 216053969 /nfs/dbraw/zinc/05/39/69/216053969.db2.gz JDQJKXNTOZWAEG-INIZCTEOSA-N 1 2 344.418 4.354 50 0 EIAALO Cc1nc(C)c(C(=O)Nc2ccc3c(c2)[nH+]c(C(C)C)n3C)s1 ZINC000072405725 216197432 /nfs/dbraw/zinc/19/74/32/216197432.db2.gz GSTBXDDLWGZOKT-UHFFFAOYSA-N 1 2 328.441 4.022 50 0 EIAALO Cc1ccc2[nH]c(SCc3cn4cc(Cl)ccc4[nH+]3)nc2c1 ZINC000000091584 209415431 /nfs/dbraw/zinc/41/54/31/209415431.db2.gz GUWITIPMHCIFKB-UHFFFAOYSA-N 1 2 328.828 4.465 50 0 EIAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc2ccccc21 ZINC000022558515 212306889 /nfs/dbraw/zinc/30/68/89/212306889.db2.gz KJAUGXGZXNVNDF-UHFFFAOYSA-N 1 2 329.403 4.391 50 0 EIAALO O=C(CCCc1cccs1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022238261 212284515 /nfs/dbraw/zinc/28/45/15/212284515.db2.gz PRJQSNLPEZKDLT-UHFFFAOYSA-N 1 2 349.525 4.152 50 0 EIAALO c1csc([C@H](Nc2ccc(N3CCCCC3)c[nH+]2)c2ncc[nH]2)c1 ZINC000195094163 240828692 /nfs/dbraw/zinc/82/86/92/240828692.db2.gz QUXZIBAIZJXVQA-KRWDZBQOSA-N 1 2 339.468 4.058 50 0 EIAALO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1nn(C)c2cccc(Cl)c12 ZINC000215899851 241153812 /nfs/dbraw/zinc/15/38/12/241153812.db2.gz LOSARWKUEQHMPS-INIZCTEOSA-N 1 2 344.846 4.169 50 0 EIAALO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1nn(C)c2cccc(Cl)c12 ZINC000215899851 241153820 /nfs/dbraw/zinc/15/38/20/241153820.db2.gz LOSARWKUEQHMPS-INIZCTEOSA-N 1 2 344.846 4.169 50 0 EIAALO C[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000021920924 212264411 /nfs/dbraw/zinc/26/44/11/212264411.db2.gz GBURBXCGVWULOU-LBPRGKRZSA-N 1 2 343.789 4.156 50 0 EIAALO Cc1cc(-c2cccc(-c3ccn(C[C@@H]4CCCO4)n3)c2)cc(C)[nH+]1 ZINC000020541668 212145471 /nfs/dbraw/zinc/14/54/71/212145471.db2.gz LABJYCVYHDGALI-FQEVSTJZSA-N 1 2 333.435 4.408 50 0 EIAALO Fc1cccc(-c2n[nH]c3c2C[N@H+](Cc2ccc(F)cc2F)CC3)c1 ZINC000020537958 212144364 /nfs/dbraw/zinc/14/43/64/212144364.db2.gz SMZQFYQDVBSRMS-UHFFFAOYSA-N 1 2 343.352 4.052 50 0 EIAALO Fc1cccc(-c2n[nH]c3c2C[N@@H+](Cc2ccc(F)cc2F)CC3)c1 ZINC000020537958 212144367 /nfs/dbraw/zinc/14/43/67/212144367.db2.gz SMZQFYQDVBSRMS-UHFFFAOYSA-N 1 2 343.352 4.052 50 0 EIAALO Cc1cc(N2CCC(OCc3cccnc3)CC2)[nH+]c2ccccc12 ZINC000077407544 216897177 /nfs/dbraw/zinc/89/71/77/216897177.db2.gz URWJGWHSMSDJES-UHFFFAOYSA-N 1 2 333.435 4.124 50 0 EIAALO Cc1[nH]c([C@@H]2CC(=O)N(C3CCCC3)C2)[nH+]c1-c1ccc(C)c(C)c1 ZINC000019225720 212007455 /nfs/dbraw/zinc/00/74/55/212007455.db2.gz JOOLIKCRRFDCQQ-QGZVFWFLSA-N 1 2 337.467 4.260 50 0 EIAALO CCn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)C2CC2)c1 ZINC000015863665 211863771 /nfs/dbraw/zinc/86/37/71/211863771.db2.gz YFRZQWNLCOLKSL-UHFFFAOYSA-N 1 2 333.435 4.190 50 0 EIAALO Cc1sc2ncnc(NCCCc3[nH]c4ccccc4[nH+]3)c2c1C ZINC000012506860 211395644 /nfs/dbraw/zinc/39/56/44/211395644.db2.gz OCKXSRGFXPRLNG-UHFFFAOYSA-N 1 2 337.452 4.229 50 0 EIAALO CC(C)c1[nH+]ccn1-c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1 ZINC000012401762 211368626 /nfs/dbraw/zinc/36/86/26/211368626.db2.gz XOQJQKIRZUWTFI-UHFFFAOYSA-N 1 2 348.450 4.314 50 0 EIAALO Cc1[nH+]cnc(N[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c1C ZINC000091965625 218095715 /nfs/dbraw/zinc/09/57/15/218095715.db2.gz REPJUZQJCKABPF-OAHLLOKOSA-N 1 2 339.487 4.307 50 0 EIAALO CCC[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010093979 211147215 /nfs/dbraw/zinc/14/72/15/211147215.db2.gz OCANSTJKSOQSKY-CRAIPNDOSA-N 1 2 342.508 4.152 50 0 EIAALO CCC[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010093979 211147218 /nfs/dbraw/zinc/14/72/18/211147218.db2.gz OCANSTJKSOQSKY-CRAIPNDOSA-N 1 2 342.508 4.152 50 0 EIAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000009512961 211094833 /nfs/dbraw/zinc/09/48/33/211094833.db2.gz XHAKFTAQRRHHPN-FQEVSTJZSA-N 1 2 341.414 4.093 50 0 EIAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C)cc2C)C1 ZINC000095356318 218289042 /nfs/dbraw/zinc/28/90/42/218289042.db2.gz RKMCQSXSRVFPNL-SFHVURJKSA-N 1 2 339.483 4.320 50 0 EIAALO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000008940137 211020895 /nfs/dbraw/zinc/02/08/95/211020895.db2.gz QUOORQRBPDMIDV-GJZGRUSLSA-N 1 2 337.423 4.465 50 0 EIAALO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000008945556 211022281 /nfs/dbraw/zinc/02/22/81/211022281.db2.gz KVNDROJPENMMGS-ZDUSSCGKSA-N 1 2 328.378 4.023 50 0 EIAALO CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000008945556 211022285 /nfs/dbraw/zinc/02/22/85/211022285.db2.gz KVNDROJPENMMGS-ZDUSSCGKSA-N 1 2 328.378 4.023 50 0 EIAALO Cc1nc(C[N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)cs1 ZINC000095393404 218324871 /nfs/dbraw/zinc/32/48/71/218324871.db2.gz IKGJUJWWZYPBEC-UHFFFAOYSA-N 1 2 348.475 4.398 50 0 EIAALO Cc1nc(C[N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)cs1 ZINC000095393404 218324872 /nfs/dbraw/zinc/32/48/72/218324872.db2.gz IKGJUJWWZYPBEC-UHFFFAOYSA-N 1 2 348.475 4.398 50 0 EIAALO O=C(NCc1cn2ccccc2[nH+]1)c1ccccc1Nc1ccccc1 ZINC000008778696 211006188 /nfs/dbraw/zinc/00/61/88/211006188.db2.gz GHVVIRPCFGFIMA-UHFFFAOYSA-N 1 2 342.402 4.008 50 0 EIAALO Cc1nnc([C@@H]([NH2+][C@@H]2CCSc3ccccc32)c2ccccc2)[nH]1 ZINC000095421723 218364496 /nfs/dbraw/zinc/36/44/96/218364496.db2.gz YAKJTIOGGFUHPK-AEFFLSMTSA-N 1 2 336.464 4.029 50 0 EIAALO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1csc(CC)n1)CCO2 ZINC000095422312 218364945 /nfs/dbraw/zinc/36/49/45/218364945.db2.gz VFAPVHSTEIGESD-SWLSCSKDSA-N 1 2 332.469 4.279 50 0 EIAALO Cc1nc(C)c([C@H](C)N(C)c2cc(C)[nH+]c(-c3ccncc3)n2)s1 ZINC000095959051 218465236 /nfs/dbraw/zinc/46/52/36/218465236.db2.gz SLUWTPBTCOSCFL-ZDUSSCGKSA-N 1 2 339.468 4.118 50 0 EIAALO Fc1ccccc1N1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000055292345 132194749 /nfs/dbraw/zinc/19/47/49/132194749.db2.gz LALYSHNFSQNFSM-UHFFFAOYSA-N 1 2 339.241 4.455 50 0 EIAALO CSc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055543553 132195641 /nfs/dbraw/zinc/19/56/41/132195641.db2.gz NGJPWGIUWAMKND-UHFFFAOYSA-N 1 2 332.900 4.384 50 0 EIAALO Cc1ccccc1C[N@H+]1CCN(c2ccc(C(C)C)cc2)C(=O)[C@@H]1C ZINC000037521799 132395948 /nfs/dbraw/zinc/39/59/48/132395948.db2.gz IZVBGHRKXMCXJC-SFHVURJKSA-N 1 2 336.479 4.356 50 0 EIAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc(C(C)C)cc2)C(=O)[C@@H]1C ZINC000037521799 132395949 /nfs/dbraw/zinc/39/59/49/132395949.db2.gz IZVBGHRKXMCXJC-SFHVURJKSA-N 1 2 336.479 4.356 50 0 EIAALO CC(=O)Nc1ccc(N[C@H](c2[nH]cc[nH+]2)c2ccccc2)c(Cl)c1 ZINC000129607320 527014413 /nfs/dbraw/zinc/01/44/13/527014413.db2.gz JXCXTXRXADCZNR-KRWDZBQOSA-N 1 2 340.814 4.223 50 0 EIAALO CCn1c2ccccc2[nH+]c1NCc1cccc(Br)c1 ZINC000000619851 563361326 /nfs/dbraw/zinc/36/13/26/563361326.db2.gz NIUYYDQIMRVSCV-UHFFFAOYSA-N 1 2 330.229 4.431 50 0 EIAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCCc1ccccc1 ZINC000000141440 563242201 /nfs/dbraw/zinc/24/22/01/563242201.db2.gz LXTOEWMLFJEUPA-UHFFFAOYSA-N 1 2 334.419 4.375 50 0 EIAALO Clc1ccc(Cn2ncc3c2nc[nH+]c3NCc2ccccc2)cc1 ZINC000000521039 563340366 /nfs/dbraw/zinc/34/03/66/563340366.db2.gz GTVZIVQRYYSPKE-UHFFFAOYSA-N 1 2 349.825 4.140 50 0 EIAALO CC(C)(C)c1cc(C(=O)NCCCn2cc[nH+]c2)cc(C(C)(C)C)c1 ZINC000002180636 563425547 /nfs/dbraw/zinc/42/55/47/563425547.db2.gz NNEUZEKZBBBZPG-UHFFFAOYSA-N 1 2 341.499 4.298 50 0 EIAALO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000012793252 563671910 /nfs/dbraw/zinc/67/19/10/563671910.db2.gz SDDUJUBMPTYJCA-GJZGRUSLSA-N 1 2 342.508 4.107 50 0 EIAALO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000012793252 563671914 /nfs/dbraw/zinc/67/19/14/563671914.db2.gz SDDUJUBMPTYJCA-GJZGRUSLSA-N 1 2 342.508 4.107 50 0 EIAALO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccon3)C2)cc1 ZINC000013594986 563703304 /nfs/dbraw/zinc/70/33/04/563703304.db2.gz DUOVSWSCNLLFBM-MRXNPFEDSA-N 1 2 326.440 4.067 50 0 EIAALO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccon3)C2)cc1 ZINC000013594986 563703307 /nfs/dbraw/zinc/70/33/07/563703307.db2.gz DUOVSWSCNLLFBM-MRXNPFEDSA-N 1 2 326.440 4.067 50 0 EIAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000015860735 563797027 /nfs/dbraw/zinc/79/70/27/563797027.db2.gz ARPGSWAARADVQH-AWEZNQCLSA-N 1 2 344.842 4.000 50 0 EIAALO CCn1ncc(C[N@H+](C)Cc2csc(-c3ccc(C)cc3)n2)c1C ZINC000017071294 563834173 /nfs/dbraw/zinc/83/41/73/563834173.db2.gz HLOUYHCVJHHNPT-UHFFFAOYSA-N 1 2 340.496 4.275 50 0 EIAALO CCn1ncc(C[N@@H+](C)Cc2csc(-c3ccc(C)cc3)n2)c1C ZINC000017071294 563834175 /nfs/dbraw/zinc/83/41/75/563834175.db2.gz HLOUYHCVJHHNPT-UHFFFAOYSA-N 1 2 340.496 4.275 50 0 EIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCC(C)CC2)cc1Cl ZINC000020662142 563859734 /nfs/dbraw/zinc/85/97/34/563859734.db2.gz FEYIZNKSAHJQSO-UHFFFAOYSA-N 1 2 341.846 4.014 50 0 EIAALO Cc1cccc(-c2noc(C[N@@H+]3CCc4sccc4[C@H]3C)n2)c1 ZINC000029708028 563908001 /nfs/dbraw/zinc/90/80/01/563908001.db2.gz FFTLIXKNHYGWFV-CYBMUJFWSA-N 1 2 325.437 4.226 50 0 EIAALO Cc1cccc(-c2noc(C[N@H+]3CCc4sccc4[C@H]3C)n2)c1 ZINC000029708028 563908002 /nfs/dbraw/zinc/90/80/02/563908002.db2.gz FFTLIXKNHYGWFV-CYBMUJFWSA-N 1 2 325.437 4.226 50 0 EIAALO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000033039540 563933049 /nfs/dbraw/zinc/93/30/49/563933049.db2.gz XXPZMIDMEJXTEW-HUUCEWRRSA-N 1 2 342.405 4.213 50 0 EIAALO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000033039540 563933050 /nfs/dbraw/zinc/93/30/50/563933050.db2.gz XXPZMIDMEJXTEW-HUUCEWRRSA-N 1 2 342.405 4.213 50 0 EIAALO Cn1cc[nH+]c1[C@@H](NCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000058411545 563945237 /nfs/dbraw/zinc/94/52/37/563945237.db2.gz SYEOGWZKYSPBJK-INIZCTEOSA-N 1 2 340.496 4.053 50 0 EIAALO O=Cc1ccc2c(c1)c1c3n2CC[N@H+](Cc2ccccc2)[C@H]3CCC1 ZINC000058981004 563947471 /nfs/dbraw/zinc/94/74/71/563947471.db2.gz CJKDEKOSYBTXAM-NRFANRHFSA-N 1 2 330.431 4.347 50 0 EIAALO O=Cc1ccc2c(c1)c1c3n2CC[N@@H+](Cc2ccccc2)[C@H]3CCC1 ZINC000058981004 563947472 /nfs/dbraw/zinc/94/74/72/563947472.db2.gz CJKDEKOSYBTXAM-NRFANRHFSA-N 1 2 330.431 4.347 50 0 EIAALO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)c1ncc(C(C)(C)C)o1)C2 ZINC000096447034 563953395 /nfs/dbraw/zinc/95/33/95/563953395.db2.gz ZYMDZKSEGZQNIV-ZDUSSCGKSA-N 1 2 341.455 4.050 50 0 EIAALO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)c1ncc(C(C)(C)C)o1)C2 ZINC000096447034 563953397 /nfs/dbraw/zinc/95/33/97/563953397.db2.gz ZYMDZKSEGZQNIV-ZDUSSCGKSA-N 1 2 341.455 4.050 50 0 EIAALO CCC[C@H](C)c1c(-c2ccccc2)[nH+]cn1Cc1nnc2n1CCC2 ZINC000065409886 563960417 /nfs/dbraw/zinc/96/04/17/563960417.db2.gz ZGHBPTJPJABHPO-HNNXBMFYSA-N 1 2 335.455 4.040 50 0 EIAALO Cc1nc(-c2ccc(-n3cc[nH+]c3[C@H](C)c3ccccc3)cc2)n[nH]1 ZINC000071753998 563965250 /nfs/dbraw/zinc/96/52/50/563965250.db2.gz OQDQQQCKXXGDCS-CQSZACIVSA-N 1 2 329.407 4.118 50 0 EIAALO FC(F)(F)c1ccccc1-c1nccn1CC1(Cn2cc[nH+]c2)CC1 ZINC000077517268 563970179 /nfs/dbraw/zinc/97/01/79/563970179.db2.gz WMRUHLUFMBGRHP-UHFFFAOYSA-N 1 2 346.356 4.246 50 0 EIAALO CCc1cnc(C[N@H+]2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)o1 ZINC000072578424 563974206 /nfs/dbraw/zinc/97/42/06/563974206.db2.gz VRFGLNWASSHNLF-UHFFFAOYSA-N 1 2 337.423 4.016 50 0 EIAALO CCc1cnc(C[N@@H+]2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)o1 ZINC000072578424 563974207 /nfs/dbraw/zinc/97/42/07/563974207.db2.gz VRFGLNWASSHNLF-UHFFFAOYSA-N 1 2 337.423 4.016 50 0 EIAALO Cc1nc(N(Cc2cccs2)CC(C)C)cc([C@@H]2CCOC2)[nH+]1 ZINC000426414825 563976415 /nfs/dbraw/zinc/97/64/15/563976415.db2.gz VVTAMBFDVOJTBJ-OAHLLOKOSA-N 1 2 331.485 4.013 50 0 EIAALO CCCCn1cc[nH+]c1[C@H]1CCCN(c2cc(CCC)nc(C)n2)C1 ZINC000095502969 563977089 /nfs/dbraw/zinc/97/70/89/563977089.db2.gz XUKSKSSBSSRXMX-KRWDZBQOSA-N 1 2 341.503 4.118 50 0 EIAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC000095515405 563977304 /nfs/dbraw/zinc/97/73/04/563977304.db2.gz KAXUDNWEDMVLAY-QGZVFWFLSA-N 1 2 343.446 4.151 50 0 EIAALO C[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC(C)(C)C1 ZINC000000552496 564022992 /nfs/dbraw/zinc/02/29/92/564022992.db2.gz MOGCLMUWPUAISZ-LSDHHAIUSA-N 1 2 335.455 4.442 50 0 EIAALO CC1(C)[C@@H]2C[C@H]1C(CCNC(=O)c1ccccc1-c1[nH]cc[nH+]1)=CC2 ZINC000244899778 564052327 /nfs/dbraw/zinc/05/23/27/564052327.db2.gz ZPZDUTOBNABWDB-YJBOKZPZSA-N 1 2 335.451 4.189 50 0 EIAALO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]Cc3nc4ccccc4[nH]3)o2)cc1 ZINC000248377776 564053194 /nfs/dbraw/zinc/05/31/94/564053194.db2.gz HQYPKYVWEYQKFN-CQSZACIVSA-N 1 2 347.418 4.166 50 0 EIAALO Cc1ccc(C[N@H+](C)Cn2nc(-c3cccs3)[nH]c2=S)cc1 ZINC000012772813 564069064 /nfs/dbraw/zinc/06/90/64/564069064.db2.gz RISXMKPSTMSIDP-UHFFFAOYSA-N 1 2 330.482 4.067 50 0 EIAALO Cc1ccc(C[N@@H+](C)Cn2nc(-c3cccs3)[nH]c2=S)cc1 ZINC000012772813 564069065 /nfs/dbraw/zinc/06/90/65/564069065.db2.gz RISXMKPSTMSIDP-UHFFFAOYSA-N 1 2 330.482 4.067 50 0 EIAALO CCOc1ccc(C(=O)Nc2cccc(-c3c[nH+]c4n3CCC4)c2)cc1 ZINC000086071842 564075256 /nfs/dbraw/zinc/07/52/56/564075256.db2.gz CDDJALQHYUCMNE-UHFFFAOYSA-N 1 2 347.418 4.147 50 0 EIAALO CCSCc1cccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000088390606 564079050 /nfs/dbraw/zinc/07/90/50/564079050.db2.gz UZPHMSIOUDEHNE-INIZCTEOSA-N 1 2 344.484 4.422 50 0 EIAALO CC(C)([NH2+]Cc1ncc(Br)s1)c1cccc(F)c1 ZINC000390833123 564082197 /nfs/dbraw/zinc/08/21/97/564082197.db2.gz CLAHQTUJKQAXOJ-UHFFFAOYSA-N 1 2 329.238 4.070 50 0 EIAALO CCCc1[nH]c2ccc(CCC(=O)NCCCc3ccccc3)cc2[nH+]1 ZINC000075465630 564086020 /nfs/dbraw/zinc/08/60/20/564086020.db2.gz FDZZKFLZBUSYEW-UHFFFAOYSA-N 1 2 349.478 4.197 50 0 biogenic EIAALO CCCc1[nH]c2cc(CCC(=O)NCCCc3ccccc3)ccc2[nH+]1 ZINC000075465630 564086021 /nfs/dbraw/zinc/08/60/21/564086021.db2.gz FDZZKFLZBUSYEW-UHFFFAOYSA-N 1 2 349.478 4.197 50 0 biogenic EIAALO Cn1cc(Cl)cc1C[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000091931113 564088805 /nfs/dbraw/zinc/08/88/05/564088805.db2.gz ZIUZGCACZAXIIP-UHFFFAOYSA-N 1 2 337.901 4.496 50 0 EIAALO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000091931113 564088806 /nfs/dbraw/zinc/08/88/06/564088806.db2.gz ZIUZGCACZAXIIP-UHFFFAOYSA-N 1 2 337.901 4.496 50 0 EIAALO CN(C)c1ccc(C(F)(F)F)cc1NCc1c[nH+]c2ccccn12 ZINC000089326643 564089675 /nfs/dbraw/zinc/08/96/75/564089675.db2.gz VCQYYLNWBBCSOZ-UHFFFAOYSA-N 1 2 334.345 4.031 50 0 EIAALO C[N@H+](Cc1cscn1)Cc1cccc(NCc2cccs2)c1 ZINC000089361119 564089815 /nfs/dbraw/zinc/08/98/15/564089815.db2.gz MLCTVVXPBZIRCS-UHFFFAOYSA-N 1 2 329.494 4.449 50 0 EIAALO C[N@@H+](Cc1cscn1)Cc1cccc(NCc2cccs2)c1 ZINC000089361119 564089816 /nfs/dbraw/zinc/08/98/16/564089816.db2.gz MLCTVVXPBZIRCS-UHFFFAOYSA-N 1 2 329.494 4.449 50 0 EIAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc(C)c(Cl)c1 ZINC000006585210 564092348 /nfs/dbraw/zinc/09/23/48/564092348.db2.gz KVQYZLNFQRQBDI-UHFFFAOYSA-N 1 2 342.830 4.128 50 0 EIAALO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000006588927 564092374 /nfs/dbraw/zinc/09/23/74/564092374.db2.gz IEVKTKGXMUWBOV-UHFFFAOYSA-N 1 2 333.435 4.116 50 0 EIAALO Cc1noc(C)c1CN(C)C(=O)c1ccc(-c2ccc(C)[nH+]c2C)cc1 ZINC000426662540 564094356 /nfs/dbraw/zinc/09/43/56/564094356.db2.gz WHRYLGAGGSYESA-UHFFFAOYSA-N 1 2 349.434 4.242 50 0 EIAALO Cc1nn(C[N@@H+](C)Cc2ccccc2)c(=S)n1-c1ccc(C)cc1 ZINC000006986099 564102631 /nfs/dbraw/zinc/10/26/31/564102631.db2.gz UBYOXARMAHWGEM-UHFFFAOYSA-N 1 2 338.480 4.110 50 0 EIAALO Cc1nn(C[N@H+](C)Cc2ccccc2)c(=S)n1-c1ccc(C)cc1 ZINC000006986099 564102632 /nfs/dbraw/zinc/10/26/32/564102632.db2.gz UBYOXARMAHWGEM-UHFFFAOYSA-N 1 2 338.480 4.110 50 0 EIAALO Cc1ccc(C[C@H]2CCC[N@H+](Cc3noc(CC(C)C)n3)C2)cc1 ZINC000065254203 564103494 /nfs/dbraw/zinc/10/34/94/564103494.db2.gz DCIGGPDFGMXYGK-GOSISDBHSA-N 1 2 327.472 4.031 50 0 EIAALO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3noc(CC(C)C)n3)C2)cc1 ZINC000065254203 564103493 /nfs/dbraw/zinc/10/34/93/564103493.db2.gz DCIGGPDFGMXYGK-GOSISDBHSA-N 1 2 327.472 4.031 50 0 EIAALO C[C@@H](Nc1ncnc2c(F)cccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC000170606596 564109652 /nfs/dbraw/zinc/10/96/52/564109652.db2.gz ANCZUMIJAZINJR-CYBMUJFWSA-N 1 2 333.370 4.128 50 0 EIAALO Cc1nc(-c2ccc(CCNc3cc[nH+]c(C4CC4)n3)cc2)cs1 ZINC000170624608 564110398 /nfs/dbraw/zinc/11/03/98/564110398.db2.gz RVJJJRPSSBQGFG-UHFFFAOYSA-N 1 2 336.464 4.441 50 0 EIAALO COc1ccc([NH2+]CCC(=O)c2ccc(Br)cc2)cc1 ZINC000002521085 564119070 /nfs/dbraw/zinc/11/90/70/564119070.db2.gz AVYPMMGMEHOWQB-UHFFFAOYSA-N 1 2 334.213 4.143 50 0 EIAALO c1c[nH+]c([C@H]2CCCN2c2ncnc3scc(-c4ccccc4)c32)[nH]1 ZINC000095467586 564141138 /nfs/dbraw/zinc/14/11/38/564141138.db2.gz SOJWTOOIIQCOOG-OAHLLOKOSA-N 1 2 347.447 4.423 50 0 EIAALO O=c1nc(C[NH+]2CCCCCC2)[nH]c2scc(-c3ccccc3)c21 ZINC000002626973 564151367 /nfs/dbraw/zinc/15/13/67/564151367.db2.gz BETRGHBGZDTXSD-UHFFFAOYSA-N 1 2 339.464 4.028 50 0 EIAALO FC(F)(F)Cn1cc[nH+]c1CSc1nc(-c2ccccc2)c[nH]1 ZINC000057747738 564155594 /nfs/dbraw/zinc/15/55/94/564155594.db2.gz NEPFCMNZANDXEH-UHFFFAOYSA-N 1 2 338.358 4.128 50 0 EIAALO C[C@H]([NH2+][C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccccc1Cl ZINC000057816050 564155925 /nfs/dbraw/zinc/15/59/25/564155925.db2.gz JRBMEBKRDFUZIT-HNAYVOBHSA-N 1 2 342.870 4.354 50 0 EIAALO CCOc1ccc([C@@H](CC)NC(=O)c2ccccc2-c2[nH]cc[nH+]2)cc1 ZINC000670438242 564157492 /nfs/dbraw/zinc/15/74/92/564157492.db2.gz LWKKUWGNJMHIPI-LJQANCHMSA-N 1 2 349.434 4.357 50 0 EIAALO O=c1oc2cc(Cl)ccc2n1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000008151516 564163204 /nfs/dbraw/zinc/16/32/04/564163204.db2.gz MOMQOSJTEQUEAN-UHFFFAOYSA-N 1 2 346.789 4.009 50 0 EIAALO O=c1oc2cc(Cl)ccc2n1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000008151516 564163205 /nfs/dbraw/zinc/16/32/05/564163205.db2.gz MOMQOSJTEQUEAN-UHFFFAOYSA-N 1 2 346.789 4.009 50 0 EIAALO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc(F)cc1Cl ZINC000008320425 564164283 /nfs/dbraw/zinc/16/42/83/564164283.db2.gz WMWMZPBZIDEEOJ-AWEZNQCLSA-N 1 2 338.835 4.316 50 0 EIAALO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccc(F)cc1Cl ZINC000008320425 564164284 /nfs/dbraw/zinc/16/42/84/564164284.db2.gz 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/nfs/dbraw/zinc/07/32/40/212073240.db2.gz NDHKFHYKUGVVBA-UHFFFAOYSA-N 1 2 335.278 4.311 50 0 EIAALO Clc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000019781903 212067054 /nfs/dbraw/zinc/06/70/54/212067054.db2.gz JLRLGONHCPAGDX-UHFFFAOYSA-N 1 2 335.278 4.311 50 0 EIAALO Clc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000019781903 212067055 /nfs/dbraw/zinc/06/70/55/212067055.db2.gz JLRLGONHCPAGDX-UHFFFAOYSA-N 1 2 335.278 4.311 50 0 EIAALO COc1ccccc1/C=C/C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019632861 212052833 /nfs/dbraw/zinc/05/28/33/212052833.db2.gz SUOHLPITBZPTKP-ZHSLHGDYSA-N 1 2 348.490 4.039 50 0 EIAALO Cc1ccsc1-c1nc(C[N@H+](CCO)Cc2cccs2)c(C)o1 ZINC000011814243 211250931 /nfs/dbraw/zinc/25/09/31/211250931.db2.gz XQFOSVWFLRHIMM-UHFFFAOYSA-N 1 2 348.493 4.076 50 0 EIAALO Cc1ccsc1-c1nc(C[N@@H+](CCO)Cc2cccs2)c(C)o1 ZINC000011814243 211250939 /nfs/dbraw/zinc/25/09/39/211250939.db2.gz XQFOSVWFLRHIMM-UHFFFAOYSA-N 1 2 348.493 4.076 50 0 EIAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 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EIAALO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1ccc(F)cc1 ZINC000328592207 258044073 /nfs/dbraw/zinc/04/40/73/258044073.db2.gz NCQCXRQPUVKFEP-UHFFFAOYSA-N 1 2 335.382 4.278 50 0 EIAALO Cc1cccc(C[N@H+]2CCN(c3ccc(C(C)C)cc3)C(=O)[C@H]2C)c1 ZINC000037275550 132392680 /nfs/dbraw/zinc/39/26/80/132392680.db2.gz QGFBKNCAUHVXPG-GOSISDBHSA-N 1 2 336.479 4.356 50 0 EIAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(C(C)C)cc3)C(=O)[C@H]2C)c1 ZINC000037275550 132392682 /nfs/dbraw/zinc/39/26/82/132392682.db2.gz QGFBKNCAUHVXPG-GOSISDBHSA-N 1 2 336.479 4.356 50 0 EIAALO CC(C)Oc1ccc(C[NH2+]Cc2cscn2)c(C(F)(F)F)c1 ZINC000071924613 563667498 /nfs/dbraw/zinc/66/74/98/563667498.db2.gz RGIHLJZEDINQRG-UHFFFAOYSA-N 1 2 330.375 4.239 50 0 EIAALO OCCCc1[nH+]c2ccccc2n1CCOc1ccc2ccccc2c1 ZINC000013566039 563702133 /nfs/dbraw/zinc/70/21/33/563702133.db2.gz OWUMBQMRBFQULL-UHFFFAOYSA-N 1 2 346.430 4.193 50 0 EIAALO Cc1nn(C[N@H+](C2CC2)C2CCCC2)c(=S)n1-c1ccccc1C ZINC000032923202 563824889 /nfs/dbraw/zinc/82/48/89/563824889.db2.gz 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563960008 /nfs/dbraw/zinc/96/00/08/563960008.db2.gz ANKPBXQZVUOSJF-INIZCTEOSA-N 1 2 344.418 4.034 50 0 EIAALO CCC[C@H](C)c1c(-c2ccccc2)[nH+]cn1Cc1noc(COC)n1 ZINC000065501169 563961698 /nfs/dbraw/zinc/96/16/98/563961698.db2.gz ROTLFMRURLFATL-AWEZNQCLSA-N 1 2 340.427 4.031 50 0 EIAALO c1cn(CCc2[nH]c3ccccc3[nH+]2)c(-c2ccc3ccccc3n2)n1 ZINC000071765466 563965521 /nfs/dbraw/zinc/96/55/21/563965521.db2.gz LFDSPPBQPLPQRP-UHFFFAOYSA-N 1 2 339.402 4.217 50 0 EIAALO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)OCc1ccccc1 ZINC000071782733 563965819 /nfs/dbraw/zinc/96/58/19/563965819.db2.gz CGUUNCXYRZIRJH-UHFFFAOYSA-N 1 2 345.442 4.432 50 0 EIAALO Cc1ccccc1[C@@H]1CCCN(c2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000077452620 563969710 /nfs/dbraw/zinc/96/97/10/563969710.db2.gz WEHXPWSPNWQOCZ-LJQANCHMSA-N 1 2 332.451 4.019 50 0 EIAALO Cc1ccccc1[C@H]1CCCN(c2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000077452624 563969717 /nfs/dbraw/zinc/96/97/17/563969717.db2.gz WEHXPWSPNWQOCZ-IBGZPJMESA-N 1 2 332.451 4.019 50 0 EIAALO Cc1cccc([C@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000077517574 563970171 /nfs/dbraw/zinc/97/01/71/563970171.db2.gz SNICEDSHEAWPKS-FQEVSTJZSA-N 1 2 345.446 4.201 50 0 EIAALO Cc1cnc(C[NH2+][C@@H](C)c2ccc(Oc3cccnc3)c(F)c2)o1 ZINC000097230692 563970717 /nfs/dbraw/zinc/97/07/17/563970717.db2.gz PGFHXWQUKHPFAQ-ZDUSSCGKSA-N 1 2 327.359 4.160 50 0 EIAALO Cc1cnc(C[NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 ZINC000097033056 563971242 /nfs/dbraw/zinc/97/12/42/563971242.db2.gz MKMIHJSAHPLKDX-OAHLLOKOSA-N 1 2 335.407 4.086 50 0 EIAALO CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc2[nH+]c(C)cn2c1 ZINC000082098308 563972214 /nfs/dbraw/zinc/97/22/14/563972214.db2.gz NDPHFMABMSYDHF-GOSISDBHSA-N 1 2 336.439 4.041 50 0 EIAALO CCN(CC)c1cc(CNC(=O)Nc2cc(Cl)ccc2C)cc[nH+]1 ZINC000033280250 563972964 /nfs/dbraw/zinc/97/29/64/563972964.db2.gz ZYHGCLBUFWVJKY-UHFFFAOYSA-N 1 2 346.862 4.211 50 0 EIAALO CCc1[nH]c2cc(CCC(=O)Nc3ccc(F)c(Cl)c3)ccc2[nH+]1 ZINC000033290546 563973031 /nfs/dbraw/zinc/97/30/31/563973031.db2.gz 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564031068 /nfs/dbraw/zinc/03/10/68/564031068.db2.gz WZBQICWUMITONN-MRXNPFEDSA-N 1 2 341.282 4.143 50 0 EIAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000048332852 564031069 /nfs/dbraw/zinc/03/10/69/564031069.db2.gz WZBQICWUMITONN-MRXNPFEDSA-N 1 2 341.282 4.143 50 0 EIAALO CC(C)[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1ccccn1 ZINC000063518192 564057733 /nfs/dbraw/zinc/05/77/33/564057733.db2.gz LQGRLELBDWBYPL-UHFFFAOYSA-N 1 2 346.478 4.167 50 0 EIAALO CC(C)[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1ccccn1 ZINC000063518192 564057734 /nfs/dbraw/zinc/05/77/34/564057734.db2.gz LQGRLELBDWBYPL-UHFFFAOYSA-N 1 2 346.478 4.167 50 0 EIAALO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1nccn1C(F)F ZINC000121031300 564060987 /nfs/dbraw/zinc/06/09/87/564060987.db2.gz FZYYKIMXFQDBLA-LLVKDONJSA-N 1 2 328.432 4.360 50 0 EIAALO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1nccn1C(F)F ZINC000121031300 564060988 /nfs/dbraw/zinc/06/09/88/564060988.db2.gz FZYYKIMXFQDBLA-LLVKDONJSA-N 1 2 328.432 4.360 50 0 EIAALO COc1ccccc1-c1noc(Cn2c3ccccc3[nH+]c2C2CC2)n1 ZINC000083982742 564065540 /nfs/dbraw/zinc/06/55/40/564065540.db2.gz MFXZAFKALDAFHI-UHFFFAOYSA-N 1 2 346.390 4.021 50 0 EIAALO CC[C@](C)([NH2+]Cc1nnc(-c2ccc(F)cc2)o1)c1nc(C)cs1 ZINC000084721224 564069807 /nfs/dbraw/zinc/06/98/07/564069807.db2.gz JEVRHLSIHZWEKA-KRWDZBQOSA-N 1 2 346.431 4.056 50 0 EIAALO C[C@H](NC(=O)c1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012784952 564070226 /nfs/dbraw/zinc/07/02/26/564070226.db2.gz YLMKJKRDXUETRG-ZDUSSCGKSA-N 1 2 325.799 4.017 50 0 EIAALO CC[C@H](C(=O)NCCCn1cc[nH+]c1-c1ccccc1)c1ccccc1 ZINC000085555055 564073914 /nfs/dbraw/zinc/07/39/14/564073914.db2.gz AUDLLYJYSFJEIZ-FQEVSTJZSA-N 1 2 347.462 4.250 50 0 EIAALO Cc1cc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)nc(C2CC2)[nH+]1 ZINC000185848979 564074875 /nfs/dbraw/zinc/07/48/75/564074875.db2.gz RBXGUFVSJVCUDL-INIZCTEOSA-N 1 2 347.821 4.033 50 0 EIAALO COCc1nc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)cs1 ZINC000088765604 564079852 /nfs/dbraw/zinc/07/98/52/564079852.db2.gz 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CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(-c3ccccc3)c[nH]1)CCO2 ZINC000194423399 1026816567 /nfs/dbraw/zinc/81/65/67/1026816567.db2.gz JTEKPMLVCMGOBN-SFHVURJKSA-N 1 2 349.434 4.089 50 0 EIAALO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000575547126 1045256323 /nfs/dbraw/zinc/25/63/23/1045256323.db2.gz XEDABUCXWDJVDY-KRWDZBQOSA-N 1 2 331.410 4.184 50 0 EIAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581808504 1060023519 /nfs/dbraw/zinc/02/35/19/1060023519.db2.gz XCSXYBOUHKSIBP-FQEVSTJZSA-N 1 2 345.446 4.254 50 0 EIAALO COCC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccccc1F ZINC000055053044 214267947 /nfs/dbraw/zinc/26/79/47/214267947.db2.gz LXKQEYJJDQDSTP-UHFFFAOYSA-N 1 2 347.478 4.043 50 0 EIAALO COCC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccccc1F ZINC000055053044 214267950 /nfs/dbraw/zinc/26/79/50/214267950.db2.gz LXKQEYJJDQDSTP-UHFFFAOYSA-N 1 2 347.478 4.043 50 0 EIAALO O=C(NCCNc1ccc2ccccc2[nH+]1)Nc1ccc(Cl)cc1 ZINC000058006274 214469611 /nfs/dbraw/zinc/46/96/11/214469611.db2.gz 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ZINC000023057239 212345585 /nfs/dbraw/zinc/34/55/85/212345585.db2.gz UMISIKCRRHXNLI-UHFFFAOYSA-N 1 2 333.391 4.365 50 0 EIAALO Cc1cc2[nH+]cn(CC(=O)N[C@@H](C)c3cc4ccccc4o3)c2cc1C ZINC000022319828 212290038 /nfs/dbraw/zinc/29/00/38/212290038.db2.gz ASUQNQBBLWCXRY-HNNXBMFYSA-N 1 2 347.418 4.277 50 0 EIAALO COc1cccc([C@H]2CC[N@@H+]2Cc2cc(Cl)cc(OC)c2OC)c1 ZINC000215662332 241136210 /nfs/dbraw/zinc/13/62/10/241136210.db2.gz GWTHXNCXXAVYRI-QGZVFWFLSA-N 1 2 347.842 4.313 50 0 EIAALO COc1cccc([C@H]2CC[N@H+]2Cc2cc(Cl)cc(OC)c2OC)c1 ZINC000215662332 241136211 /nfs/dbraw/zinc/13/62/11/241136211.db2.gz GWTHXNCXXAVYRI-QGZVFWFLSA-N 1 2 347.842 4.313 50 0 EIAALO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1OC ZINC000021720622 212245197 /nfs/dbraw/zinc/24/51/97/212245197.db2.gz CWSYXUIQDHIWJU-INIZCTEOSA-N 1 2 330.428 4.152 50 0 EIAALO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1OC ZINC000021720622 212245199 /nfs/dbraw/zinc/24/51/99/212245199.db2.gz CWSYXUIQDHIWJU-INIZCTEOSA-N 1 2 330.428 4.152 50 0 EIAALO COCc1nc(C[N@@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)cs1 ZINC000230125538 242235241 /nfs/dbraw/zinc/23/52/41/242235241.db2.gz VXMNBJXOQYNEBS-LPHOPBHVSA-N 1 2 328.481 4.191 50 0 EIAALO COCc1nc(C[N@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)cs1 ZINC000230125538 242235246 /nfs/dbraw/zinc/23/52/46/242235246.db2.gz VXMNBJXOQYNEBS-LPHOPBHVSA-N 1 2 328.481 4.191 50 0 EIAALO Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(C)c(C)c2)cc1 ZINC000020662106 212159478 /nfs/dbraw/zinc/15/94/78/212159478.db2.gz DBPSZLJAKWWBCE-UHFFFAOYSA-N 1 2 343.434 4.353 50 0 EIAALO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000020206924 212112682 /nfs/dbraw/zinc/11/26/82/212112682.db2.gz QFTXRCOSXKGFQN-AWEZNQCLSA-N 1 2 339.464 4.028 50 0 EIAALO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000020206924 212112684 /nfs/dbraw/zinc/11/26/84/212112684.db2.gz QFTXRCOSXKGFQN-AWEZNQCLSA-N 1 2 339.464 4.028 50 0 EIAALO Clc1ccccc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019537135 212041348 /nfs/dbraw/zinc/04/13/48/212041348.db2.gz FWYSZDBPNKBROR-RMKNXTFCSA-N 1 2 326.871 4.171 50 0 EIAALO CCCC(CCC)C(=O)Nc1c2c([nH+]c3ccccc31)N(C)CC2 ZINC000019334712 212016037 /nfs/dbraw/zinc/01/60/37/212016037.db2.gz SAMLUTNTULIRNA-UHFFFAOYSA-N 1 2 325.456 4.382 50 0 EIAALO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1cn[nH]c1C ZINC000078553898 217075418 /nfs/dbraw/zinc/07/54/18/217075418.db2.gz ZHASOLNQJSSBID-LLVKDONJSA-N 1 2 330.432 4.140 50 0 EIAALO Cc1cn2cc(C(=O)N3CCC[C@H](c4ccccc4)CC3)ccc2[nH+]1 ZINC000082134145 217474728 /nfs/dbraw/zinc/47/47/28/217474728.db2.gz UMYJGXFLXAFFDI-SFHVURJKSA-N 1 2 333.435 4.053 50 0 EIAALO Cc1nn(C[N@@H+](C)Cc2ccc(C)cc2)c(=S)n1-c1ccccc1 ZINC000012516812 211395862 /nfs/dbraw/zinc/39/58/62/211395862.db2.gz JWUDBGGKGCHYEL-UHFFFAOYSA-N 1 2 338.480 4.110 50 0 EIAALO Cc1nn(C[N@H+](C)Cc2ccc(C)cc2)c(=S)n1-c1ccccc1 ZINC000012516812 211395867 /nfs/dbraw/zinc/39/58/67/211395867.db2.gz JWUDBGGKGCHYEL-UHFFFAOYSA-N 1 2 338.480 4.110 50 0 EIAALO CC(=O)c1cc(C[N@@H+]2CCC[C@H](C(=O)c3sccc3C)C2)cs1 ZINC000012438499 211381024 /nfs/dbraw/zinc/38/10/24/211381024.db2.gz MZTHSTWAILSSCV-HNNXBMFYSA-N 1 2 347.505 4.416 50 0 EIAALO CC(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)c3sccc3C)C2)cs1 ZINC000012438499 211381030 /nfs/dbraw/zinc/38/10/30/211381030.db2.gz MZTHSTWAILSSCV-HNNXBMFYSA-N 1 2 347.505 4.416 50 0 EIAALO CC(C)C[C@@H](O)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1)CCO2 ZINC000012035282 211280823 /nfs/dbraw/zinc/28/08/23/211280823.db2.gz UPDSSFQPDHZPET-HXUWFJFHSA-N 1 2 343.442 4.300 50 0 EIAALO CC(C)C[C@@H](O)c1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1)CCO2 ZINC000012035282 211280829 /nfs/dbraw/zinc/28/08/29/211280829.db2.gz UPDSSFQPDHZPET-HXUWFJFHSA-N 1 2 343.442 4.300 50 0 EIAALO Cn1ncc2c1nc[nH+]c2SC(c1ccccc1)c1ccccc1 ZINC000011679387 211234372 /nfs/dbraw/zinc/23/43/72/211234372.db2.gz LGHGORAOBYGPCT-UHFFFAOYSA-N 1 2 332.432 4.245 50 0 EIAALO Cc1cc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)cs1 ZINC000091997307 218101318 /nfs/dbraw/zinc/10/13/18/218101318.db2.gz SJXKODUIGNPOQQ-UHFFFAOYSA-N 1 2 343.496 4.073 50 0 EIAALO O=C(Nc1cccc(Cl)c1)N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000011009105 211201285 /nfs/dbraw/zinc/20/12/85/211201285.db2.gz DGRVTWXQVREJEI-INIZCTEOSA-N 1 2 340.814 4.169 50 0 EIAALO Cc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)c1Cl ZINC000095372467 218305125 /nfs/dbraw/zinc/30/51/25/218305125.db2.gz NYKDPQBHLPAHNP-OAHLLOKOSA-N 1 2 345.874 4.446 50 0 EIAALO CCn1nc(C)c([C@@H](C)[NH2+]Cc2coc(-c3ccc(C)cc3)n2)c1C ZINC000095423535 218366160 /nfs/dbraw/zinc/36/61/60/218366160.db2.gz RKWCDYMKMRAHQG-CQSZACIVSA-N 1 2 338.455 4.334 50 0 EIAALO C[C@H]1CCC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000004902683 210317377 /nfs/dbraw/zinc/31/73/77/210317377.db2.gz FIBOEJDOGBAJLL-VIFPVBQESA-N 1 2 335.662 4.317 50 0 EIAALO C[C@H]1CCC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000004902683 210317384 /nfs/dbraw/zinc/31/73/84/210317384.db2.gz FIBOEJDOGBAJLL-VIFPVBQESA-N 1 2 335.662 4.317 50 0 EIAALO Cc1cc([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2-n2cccn2)no1 ZINC000097463470 219025425 /nfs/dbraw/zinc/02/54/25/219025425.db2.gz PBZJXARKPSCIOZ-LJQANCHMSA-N 1 2 340.402 4.035 50 0 EIAALO Cc1cc([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2-n2cccn2)no1 ZINC000097463470 219025427 /nfs/dbraw/zinc/02/54/27/219025427.db2.gz PBZJXARKPSCIOZ-LJQANCHMSA-N 1 2 340.402 4.035 50 0 EIAALO Cc1cc([C@H]2CCCC[N@@H+]2Cc2cnn(-c3cccc(F)c3)c2)no1 ZINC000097463647 219026289 /nfs/dbraw/zinc/02/62/89/219026289.db2.gz PFWMBWUVTPFKDB-LJQANCHMSA-N 1 2 340.402 4.035 50 0 EIAALO Cc1cc([C@H]2CCCC[N@H+]2Cc2cnn(-c3cccc(F)c3)c2)no1 ZINC000097463647 219026292 /nfs/dbraw/zinc/02/62/92/219026292.db2.gz PFWMBWUVTPFKDB-LJQANCHMSA-N 1 2 340.402 4.035 50 0 EIAALO Cc1cccc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1C ZINC000055292105 132194833 /nfs/dbraw/zinc/19/48/33/132194833.db2.gz LWNCILVLGZOGDA-UHFFFAOYSA-N 1 2 332.850 4.418 50 0 EIAALO Fc1ccccc1N1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000055544101 132196113 /nfs/dbraw/zinc/19/61/13/132196113.db2.gz DCXISCARMFDCJA-UHFFFAOYSA-N 1 2 339.241 4.455 50 0 EIAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc(F)c(Cl)c2)C(=O)[C@H]1C ZINC000037521624 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C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006698768 563578973 /nfs/dbraw/zinc/57/89/73/563578973.db2.gz CWDSOGKEOLANEU-SNVBAGLBSA-N 1 2 334.769 4.172 50 0 EIAALO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006698768 563578976 /nfs/dbraw/zinc/57/89/76/563578976.db2.gz CWDSOGKEOLANEU-SNVBAGLBSA-N 1 2 334.769 4.172 50 0 EIAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000012537939 563662244 /nfs/dbraw/zinc/66/22/44/563662244.db2.gz AYXOOIRNTKYZBG-UHFFFAOYSA-N 1 2 334.206 4.290 50 0 EIAALO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000012793248 563672003 /nfs/dbraw/zinc/67/20/03/563672003.db2.gz SDDUJUBMPTYJCA-CABCVRRESA-N 1 2 342.508 4.107 50 0 EIAALO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000012793248 563672006 /nfs/dbraw/zinc/67/20/06/563672006.db2.gz SDDUJUBMPTYJCA-CABCVRRESA-N 1 2 342.508 4.107 50 0 EIAALO Cc1ccsc1C[N@@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000014115046 563742078 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ZINC000007003670 564102934 /nfs/dbraw/zinc/10/29/34/564102934.db2.gz GGNLXTIIRPWPNK-GFCCVEGCSA-N 1 2 347.528 4.114 50 0 EIAALO C[C@H]1CCCC[N@@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000007285545 564106434 /nfs/dbraw/zinc/10/64/34/564106434.db2.gz QRYXPSYULRPVIF-ZDUSSCGKSA-N 1 2 339.464 4.026 50 0 EIAALO C[C@H]1CCCC[N@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000007285545 564106435 /nfs/dbraw/zinc/10/64/35/564106435.db2.gz QRYXPSYULRPVIF-ZDUSSCGKSA-N 1 2 339.464 4.026 50 0 EIAALO c1c[nH]c([C@H](Nc2cccc([NH+]3CCCCCC3)c2)c2cccnc2)n1 ZINC000195110462 564122796 /nfs/dbraw/zinc/12/27/96/564122796.db2.gz WNWDUCFOGSHKQG-HXUWFJFHSA-N 1 2 347.466 4.387 50 0 EIAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000007878214 564124278 /nfs/dbraw/zinc/12/42/78/564124278.db2.gz YKIGMHKBGXSQRH-SNVBAGLBSA-N 1 2 338.835 4.098 50 0 EIAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000007878214 564124279 /nfs/dbraw/zinc/12/42/79/564124279.db2.gz YKIGMHKBGXSQRH-SNVBAGLBSA-N 1 2 338.835 4.098 50 0 EIAALO CC(C)CNC(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000013348207 564136255 /nfs/dbraw/zinc/13/62/55/564136255.db2.gz UGTCKSZVSYXQAC-UHFFFAOYSA-N 1 2 336.439 4.126 50 0 EIAALO CSCc1ccc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1 ZINC000079594130 564138276 /nfs/dbraw/zinc/13/82/76/564138276.db2.gz STUWRHJYKPFTMK-UHFFFAOYSA-N 1 2 337.448 4.202 50 0 EIAALO Clc1ccc(-c2cnc(C[NH+]3CCC(c4ccn[nH]4)CC3)o2)cc1 ZINC000058265348 564158277 /nfs/dbraw/zinc/15/82/77/564158277.db2.gz BSZXXXVOOHPTFR-UHFFFAOYSA-N 1 2 342.830 4.098 50 0 EIAALO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(F)cc1 ZINC000008120258 564162814 /nfs/dbraw/zinc/16/28/14/564162814.db2.gz OLYLXCLKQOTKMQ-UHFFFAOYSA-N 1 2 331.778 4.161 50 0 EIAALO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(F)cc1 ZINC000008120258 564162815 /nfs/dbraw/zinc/16/28/15/564162815.db2.gz OLYLXCLKQOTKMQ-UHFFFAOYSA-N 1 2 331.778 4.161 50 0 EIAALO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1cc(Cl)ccc1F ZINC000008320321 564164269 /nfs/dbraw/zinc/16/42/69/564164269.db2.gz HRLRULJAHABTAZ-AWEZNQCLSA-N 1 2 338.835 4.316 50 0 EIAALO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1cc(Cl)ccc1F ZINC000008320321 564164270 /nfs/dbraw/zinc/16/42/70/564164270.db2.gz HRLRULJAHABTAZ-AWEZNQCLSA-N 1 2 338.835 4.316 50 0 EIAALO CSc1nnc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)s1 ZINC000069562961 564170436 /nfs/dbraw/zinc/17/04/36/564170436.db2.gz YXTYAWLFVUMGDX-UHFFFAOYSA-N 1 2 339.917 4.473 50 0 EIAALO ClC(Cl)=C1NC(c2ccccc2)=[NH+]Cc2nc3ccccc3n21 ZINC000041097438 564173161 /nfs/dbraw/zinc/17/31/61/564173161.db2.gz SEYAIYXAYKOMBC-UHFFFAOYSA-N 1 2 343.217 4.148 50 0 EIAALO Cn1ccnc1[C@H]([NH2+]Cc1cccc(Cl)c1)c1cccc(F)c1 ZINC000042203884 564174748 /nfs/dbraw/zinc/17/47/48/564174748.db2.gz FJPXCCVTICJPIX-QGZVFWFLSA-N 1 2 329.806 4.092 50 0 EIAALO O=C([C@H]([NH2+]Cc1cc2ccccc2o1)c1ccccc1)N1CCCCC1 ZINC000071818569 564175638 /nfs/dbraw/zinc/17/56/38/564175638.db2.gz WCNOQJZUBCXPOE-OAQYLSRUSA-N 1 2 348.446 4.276 50 0 EIAALO Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000178469742 1024781390 /nfs/dbraw/zinc/78/13/90/1024781390.db2.gz SMHGNFQMRGOMMY-INIZCTEOSA-N 1 2 347.418 4.185 50 0 EIAALO COC[C@H](C)[N@H+](Cc1ccccc1C)Cc1c(F)ccc(OC)c1F ZINC000952991120 1049692895 /nfs/dbraw/zinc/69/28/95/1049692895.db2.gz ZKLNDJMSEGAMBM-HNNXBMFYSA-N 1 2 349.421 4.319 50 0 EIAALO COC[C@H](C)[N@@H+](Cc1ccccc1C)Cc1c(F)ccc(OC)c1F ZINC000952991120 1049692900 /nfs/dbraw/zinc/69/29/00/1049692900.db2.gz ZKLNDJMSEGAMBM-HNNXBMFYSA-N 1 2 349.421 4.319 50 0 EIAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)Nc3ccc(C)c(C)c3)C2)n1C(C)C ZINC000581815736 1060021566 /nfs/dbraw/zinc/02/15/66/1060021566.db2.gz HQCRGGFRHSTODP-QGZVFWFLSA-N 1 2 340.471 4.411 50 0 EIAALO Clc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2cccnc2)no1 ZINC000052211344 214122960 /nfs/dbraw/zinc/12/29/60/214122960.db2.gz XXMSZCNEFSPTKA-MRXNPFEDSA-N 1 2 340.814 4.122 50 0 EIAALO Clc1ccccc1[C@H]1CCC[N@H+]1Cc1nc(-c2cccnc2)no1 ZINC000052211344 214122965 /nfs/dbraw/zinc/12/29/65/214122965.db2.gz XXMSZCNEFSPTKA-MRXNPFEDSA-N 1 2 340.814 4.122 50 0 EIAALO C[C@H]1CCC[C@H](C)[NH+]1Cn1nc2c(Cl)cc(Cl)cn2c1=S ZINC000003363031 210018639 /nfs/dbraw/zinc/01/86/39/210018639.db2.gz HXBUDUIVMJPDTD-UWVGGRQHSA-N 1 2 345.299 4.392 50 0 EIAALO C[N@H+](Cn1nc2c(Cl)cc(Cl)cn2c1=S)C1CCCCC1 ZINC000003345333 210014129 /nfs/dbraw/zinc/01/41/29/210014129.db2.gz OWCUJMQBSJWONR-UHFFFAOYSA-N 1 2 345.299 4.394 50 0 EIAALO C[N@@H+](Cn1nc2c(Cl)cc(Cl)cn2c1=S)C1CCCCC1 ZINC000003345333 210014132 /nfs/dbraw/zinc/01/41/32/210014132.db2.gz OWCUJMQBSJWONR-UHFFFAOYSA-N 1 2 345.299 4.394 50 0 EIAALO CCC[C@H](C)c1c(-c2ccccc2)[nH+]cn1Cc1cc(COC)[nH]n1 ZINC000067713873 215192656 /nfs/dbraw/zinc/19/26/56/215192656.db2.gz OTDZHNAMFVWGNR-HNNXBMFYSA-N 1 2 338.455 4.372 50 0 EIAALO CC(=O)c1ccc(F)cc1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000067846954 215228894 /nfs/dbraw/zinc/22/88/94/215228894.db2.gz OSWOLLHLKNIMKP-CQSZACIVSA-N 1 2 327.399 4.089 50 0 EIAALO O=Cc1ccc2c(c1)c1c3n2CC[N@H+](Cc2ccccc2)[C@@H]3CCC1 ZINC000068675231 215326983 /nfs/dbraw/zinc/32/69/83/215326983.db2.gz CJKDEKOSYBTXAM-OAQYLSRUSA-N 1 2 330.431 4.347 50 0 EIAALO O=Cc1ccc2c(c1)c1c3n2CC[N@@H+](Cc2ccccc2)[C@@H]3CCC1 ZINC000068675231 215326986 /nfs/dbraw/zinc/32/69/86/215326986.db2.gz CJKDEKOSYBTXAM-OAQYLSRUSA-N 1 2 330.431 4.347 50 0 EIAALO Cc1[nH+]c2ccccc2n1[C@@H](C(=O)NCc1ccccc1C)C(C)C ZINC000040152598 213274822 /nfs/dbraw/zinc/27/48/22/213274822.db2.gz CGCFSAOMDSSNES-HXUWFJFHSA-N 1 2 335.451 4.167 50 0 EIAALO CSc1ccc(C[N@H+](C)Cc2noc(-c3cccc(C)c3)n2)cc1 ZINC000040088715 213261303 /nfs/dbraw/zinc/26/13/03/213261303.db2.gz SHQZYRNEEOVBAY-UHFFFAOYSA-N 1 2 339.464 4.399 50 0 EIAALO CSc1ccc(C[N@@H+](C)Cc2noc(-c3cccc(C)c3)n2)cc1 ZINC000040088715 213261306 /nfs/dbraw/zinc/26/13/06/213261306.db2.gz SHQZYRNEEOVBAY-UHFFFAOYSA-N 1 2 339.464 4.399 50 0 EIAALO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCc4sccc4C3)o2)cc1 ZINC000040033634 213252708 /nfs/dbraw/zinc/25/27/08/213252708.db2.gz VDRGANBPRQBUGI-ZDUSSCGKSA-N 1 2 325.437 4.226 50 0 EIAALO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCc4sccc4C3)o2)cc1 ZINC000040033634 213252712 /nfs/dbraw/zinc/25/27/12/213252712.db2.gz VDRGANBPRQBUGI-ZDUSSCGKSA-N 1 2 325.437 4.226 50 0 EIAALO COc1ccccc1Nc1c(-c2ccccc2O)[nH+]c2ccccn21 ZINC000035615977 213042821 /nfs/dbraw/zinc/04/28/21/213042821.db2.gz VXGVAIKZEZJPLW-UHFFFAOYSA-N 1 2 331.375 4.459 50 0 EIAALO COc1ccccc1-c1[nH+]ccn1[C@H](C)c1ccccc1-n1cccn1 ZINC000072165811 216055229 /nfs/dbraw/zinc/05/52/29/216055229.db2.gz JDQJKXNTOZWAEG-MRXNPFEDSA-N 1 2 344.418 4.354 50 0 EIAALO Cc1csc(C(C)(C)[NH2+]Cc2ncc(-c3ccc(F)cc3)o2)n1 ZINC000072663074 216290334 /nfs/dbraw/zinc/29/03/34/216290334.db2.gz FMIUAMWGMFCIQP-UHFFFAOYSA-N 1 2 331.416 4.271 50 0 EIAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000215235879 241114544 /nfs/dbraw/zinc/11/45/44/241114544.db2.gz GZGWDRKDXNVEPL-LJQANCHMSA-N 1 2 347.462 4.141 50 0 EIAALO COC[C@@H](c1ccccn1)[N@H+](C)Cc1ccccc1OC1CCCC1 ZINC000216192524 241172416 /nfs/dbraw/zinc/17/24/16/241172416.db2.gz UHRRQQMKQPRIOP-FQEVSTJZSA-N 1 2 340.467 4.223 50 0 EIAALO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1ccccc1OC1CCCC1 ZINC000216192524 241172422 /nfs/dbraw/zinc/17/24/22/241172422.db2.gz UHRRQQMKQPRIOP-FQEVSTJZSA-N 1 2 340.467 4.223 50 0 EIAALO C[N@H+](Cc1ccc([C@@H]2CCCCO2)s1)Cc1[nH]nc2c1CCCC2 ZINC000215362740 241122071 /nfs/dbraw/zinc/12/20/71/241122071.db2.gz WCKHCQTZFZZWNV-SFHVURJKSA-N 1 2 345.512 4.224 50 0 EIAALO C[N@@H+](Cc1ccc([C@@H]2CCCCO2)s1)Cc1[nH]nc2c1CCCC2 ZINC000215362740 241122077 /nfs/dbraw/zinc/12/20/77/241122077.db2.gz WCKHCQTZFZZWNV-SFHVURJKSA-N 1 2 345.512 4.224 50 0 EIAALO C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cc1nc(N)c2ccccc2n1 ZINC000022010552 212270070 /nfs/dbraw/zinc/27/00/70/212270070.db2.gz KOLRYVPHQYKUAR-UHFFFAOYSA-N 1 2 334.467 4.142 50 0 EIAALO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1nc(N)c2ccccc2n1 ZINC000022010552 212270072 /nfs/dbraw/zinc/27/00/72/212270072.db2.gz KOLRYVPHQYKUAR-UHFFFAOYSA-N 1 2 334.467 4.142 50 0 EIAALO Cc1c(Cl)c(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)nc2ccccc12 ZINC000230136038 242238510 /nfs/dbraw/zinc/23/85/10/242238510.db2.gz DJQQEJJRDGZHND-QZTJIDSGSA-N 1 2 330.859 4.340 50 0 EIAALO Cc1c(Cl)c(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)nc2ccccc12 ZINC000230136038 242238515 /nfs/dbraw/zinc/23/85/15/242238515.db2.gz DJQQEJJRDGZHND-QZTJIDSGSA-N 1 2 330.859 4.340 50 0 EIAALO Cc1c(Cl)c(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)nc2ccccc12 ZINC000230136041 242237403 /nfs/dbraw/zinc/23/74/03/242237403.db2.gz DJQQEJJRDGZHND-MSOLQXFVSA-N 1 2 330.859 4.340 50 0 EIAALO Cc1c(Cl)c(C[N@H+]2CCO[C@H]3CCCC[C@H]32)nc2ccccc12 ZINC000230136041 242237408 /nfs/dbraw/zinc/23/74/08/242237408.db2.gz DJQQEJJRDGZHND-MSOLQXFVSA-N 1 2 330.859 4.340 50 0 EIAALO CN1CC[NH+]([C@H]2Cc3ccccc3Sc3cccc(Cl)c32)CC1 ZINC000019802369 212070417 /nfs/dbraw/zinc/07/04/17/212070417.db2.gz HCYCWVOZOUONBP-INIZCTEOSA-N 1 2 344.911 4.336 50 0 EIAALO CSc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000019360251 212020884 /nfs/dbraw/zinc/02/08/84/212020884.db2.gz DHRIGVPYBCIIJV-UHFFFAOYSA-N 1 2 346.927 4.380 50 0 EIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3F)c2C1 ZINC000012568812 211413340 /nfs/dbraw/zinc/41/33/40/211413340.db2.gz AWBUEELUDWQQKY-UHFFFAOYSA-N 1 2 349.409 4.004 50 0 EIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3F)c2C1 ZINC000012568812 211413343 /nfs/dbraw/zinc/41/33/43/211413343.db2.gz AWBUEELUDWQQKY-UHFFFAOYSA-N 1 2 349.409 4.004 50 0 EIAALO Cc1c(C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2CC(C)C)cnn1C ZINC000012454025 211386598 /nfs/dbraw/zinc/38/65/98/211386598.db2.gz OPRFYATWUYOCJC-HXUWFJFHSA-N 1 2 336.483 4.355 50 0 EIAALO Cc1c(C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2CC(C)C)cnn1C ZINC000012454025 211386603 /nfs/dbraw/zinc/38/66/03/211386603.db2.gz OPRFYATWUYOCJC-HXUWFJFHSA-N 1 2 336.483 4.355 50 0 EIAALO CC(C)[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000011473925 211218781 /nfs/dbraw/zinc/21/87/81/211218781.db2.gz UYKZENZPHNDGRF-MGPUTAFESA-N 1 2 342.508 4.181 50 0 EIAALO CC(C)[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000011473925 211218783 /nfs/dbraw/zinc/21/87/83/211218783.db2.gz UYKZENZPHNDGRF-MGPUTAFESA-N 1 2 342.508 4.181 50 0 EIAALO CN(C)C(=O)c1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000009470272 211087234 /nfs/dbraw/zinc/08/72/34/211087234.db2.gz BXQLCZRPQVXMMB-UHFFFAOYSA-N 1 2 325.799 4.334 50 0 EIAALO C[C@@H]1CN(c2ccc(Nc3nc4ccccc4s3)c[nH+]2)C[C@H](C)O1 ZINC000095356640 218291131 /nfs/dbraw/zinc/29/11/31/218291131.db2.gz VTCQGSQXOSMQPX-BETUJISGSA-N 1 2 340.452 4.049 50 0 EIAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000095366731 218299197 /nfs/dbraw/zinc/29/91/97/218299197.db2.gz HINGOXWFQDAIGO-ZDUSSCGKSA-N 1 2 348.397 4.154 50 0 EIAALO Fc1cc(F)c(F)c(C[NH2+]Cc2cnc(C3CCC3)s2)c1F ZINC000095415541 218353992 /nfs/dbraw/zinc/35/39/92/218353992.db2.gz QNAZYRMMDVLZAU-UHFFFAOYSA-N 1 2 330.350 4.257 50 0 EIAALO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(Nc3ccc(O)cc3)c12 ZINC000004934809 210328602 /nfs/dbraw/zinc/32/86/02/210328602.db2.gz APNRBSTZJDYEKO-UHFFFAOYSA-N 1 2 334.379 4.139 50 0 EIAALO c1csc([C@H]2CCCCN2Cc2c[nH+]c(CC3CCCC3)[nH]2)n1 ZINC000097594897 219037406 /nfs/dbraw/zinc/03/74/06/219037406.db2.gz 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O=C(CC1CCCC1)N(Cc1c[nH+]c2ccccn12)c1ccccc1 ZINC000096102989 564145242 /nfs/dbraw/zinc/14/52/42/564145242.db2.gz YNCJNSDFELTWLU-UHFFFAOYSA-N 1 2 333.435 4.448 50 0 EIAALO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1conc1C1CC1 ZINC000225555781 564149708 /nfs/dbraw/zinc/14/97/08/564149708.db2.gz LYLCPURXBQAZMV-UHFFFAOYSA-N 1 2 348.406 4.004 50 0 EIAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1ccccc1Cl ZINC000002616365 564151121 /nfs/dbraw/zinc/15/11/21/564151121.db2.gz WIAFUYAECPHQPD-UHFFFAOYSA-N 1 2 326.827 4.068 50 0 EIAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1ccccc1Cl ZINC000002616365 564151122 /nfs/dbraw/zinc/15/11/22/564151122.db2.gz WIAFUYAECPHQPD-UHFFFAOYSA-N 1 2 326.827 4.068 50 0 EIAALO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000003290722 564157092 /nfs/dbraw/zinc/15/70/92/564157092.db2.gz KIOPNTBWWZUGFS-MRXNPFEDSA-N 1 2 348.446 4.006 50 0 EIAALO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000003290722 564157093 /nfs/dbraw/zinc/15/70/93/564157093.db2.gz 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Cc1c[nH+]c([C@H]2CCN(C(=O)Nc3ccc(C)c(C)c3)C2)n1C(C)C ZINC000581815735 1060020937 /nfs/dbraw/zinc/02/09/37/1060020937.db2.gz HQCRGGFRHSTODP-KRWDZBQOSA-N 1 2 340.471 4.411 50 0 EIAALO Cc1c[nH+]c(-c2ccccc2)n1C1CCN(C(=O)C2CCCC2)CC1 ZINC000581808790 1060022398 /nfs/dbraw/zinc/02/23/98/1060022398.db2.gz MQVZKCKDNSEWLS-UHFFFAOYSA-N 1 2 337.467 4.212 50 0 EIAALO Cc1ccc(OC2CC[NH+](Cc3nnc(C(C)(C)C)o3)CC2)cc1C ZINC000051992328 214111461 /nfs/dbraw/zinc/11/14/61/214111461.db2.gz VTNTWRVTYAYUAM-UHFFFAOYSA-N 1 2 343.471 4.027 50 0 EIAALO CCCc1noc(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)n1 ZINC000052045724 214114217 /nfs/dbraw/zinc/11/42/17/214114217.db2.gz YWBVHVOTKFFJJC-UHFFFAOYSA-N 1 2 339.361 4.206 50 0 EIAALO CCCc1noc(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)n1 ZINC000052045724 214114219 /nfs/dbraw/zinc/11/42/19/214114219.db2.gz YWBVHVOTKFFJJC-UHFFFAOYSA-N 1 2 339.361 4.206 50 0 EIAALO CCCn1ncc(C[N@H+](Cc2ccsc2)Cc2cccnc2)c1C ZINC000055035858 214265286 /nfs/dbraw/zinc/26/52/86/214265286.db2.gz 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Fc1cccc([C@H]2CCC[N@@H+]2Cc2nc(Cc3ccccc3)no2)c1 ZINC000040153837 213274636 /nfs/dbraw/zinc/27/46/36/213274636.db2.gz MWTYPTFQUMBOGF-GOSISDBHSA-N 1 2 337.398 4.137 50 0 EIAALO Fc1cccc([C@H]2CCC[N@H+]2Cc2nc(Cc3ccccc3)no2)c1 ZINC000040153837 213274638 /nfs/dbraw/zinc/27/46/38/213274638.db2.gz MWTYPTFQUMBOGF-GOSISDBHSA-N 1 2 337.398 4.137 50 0 EIAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(Cc3ccccc3)no2)cc1 ZINC000040118754 213268154 /nfs/dbraw/zinc/26/81/54/213268154.db2.gz CFQCSILBPMYGCA-IBGZPJMESA-N 1 2 349.434 4.006 50 0 EIAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(Cc3ccccc3)no2)cc1 ZINC000040118754 213268156 /nfs/dbraw/zinc/26/81/56/213268156.db2.gz CFQCSILBPMYGCA-IBGZPJMESA-N 1 2 349.434 4.006 50 0 EIAALO C[C@H](c1ccccc1)N(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040038941 213254435 /nfs/dbraw/zinc/25/44/35/213254435.db2.gz CZTYEOBHFDIJQX-DLBZAZTESA-N 1 2 348.450 4.336 50 0 EIAALO C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000036390417 213095004 /nfs/dbraw/zinc/09/50/04/213095004.db2.gz GPCPYXWKQMVFMV-VXGBXAGGSA-N 1 2 343.452 4.038 50 0 EIAALO C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000036390417 213095005 /nfs/dbraw/zinc/09/50/05/213095005.db2.gz GPCPYXWKQMVFMV-VXGBXAGGSA-N 1 2 343.452 4.038 50 0 EIAALO Cc1cccc(Cl)c1NC(=O)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000072147119 216033891 /nfs/dbraw/zinc/03/38/91/216033891.db2.gz ROUYCCWZLPFMQB-HNNXBMFYSA-N 1 2 346.862 4.322 50 0 EIAALO Fc1cccc([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccco3)o2)c1 ZINC000072147922 216034895 /nfs/dbraw/zinc/03/48/95/216034895.db2.gz RIZGYZOVGFZZOD-HNNXBMFYSA-N 1 2 327.359 4.196 50 0 EIAALO Fc1cccc([C@@H]2CCCC[N@H+]2Cc2nnc(-c3ccco3)o2)c1 ZINC000072147922 216034898 /nfs/dbraw/zinc/03/48/98/216034898.db2.gz RIZGYZOVGFZZOD-HNNXBMFYSA-N 1 2 327.359 4.196 50 0 EIAALO CCCCc1nc(C[NH+]2CCC(Oc3cccc(C)c3)CC2)c[nH]1 ZINC000072408235 216199299 /nfs/dbraw/zinc/19/92/99/216199299.db2.gz DSJVXDXAZALTMH-UHFFFAOYSA-N 1 2 327.472 4.104 50 0 EIAALO Cc1ccc2nc(C)c(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC000023890333 212398600 /nfs/dbraw/zinc/39/86/00/212398600.db2.gz NPQUUQJKDZBCDZ-UHFFFAOYSA-N 1 2 342.402 4.290 50 0 EIAALO c1cc([C@@H]2CCCCO2)oc1C[N@@H+]1CCc2[nH]nc(C3CCC3)c2C1 ZINC000023158604 212357507 /nfs/dbraw/zinc/35/75/07/212357507.db2.gz QAOVLGTWRIMHRO-SFHVURJKSA-N 1 2 341.455 4.070 50 0 EIAALO c1cc([C@@H]2CCCCO2)oc1C[N@H+]1CCc2[nH]nc(C3CCC3)c2C1 ZINC000023158604 212357510 /nfs/dbraw/zinc/35/75/10/212357510.db2.gz QAOVLGTWRIMHRO-SFHVURJKSA-N 1 2 341.455 4.070 50 0 EIAALO c1cc([C@@H]2CCCCO2)oc1C[N@@H+]1CCc2n[nH]c(C3CCC3)c2C1 ZINC000023158604 212357512 /nfs/dbraw/zinc/35/75/12/212357512.db2.gz QAOVLGTWRIMHRO-SFHVURJKSA-N 1 2 341.455 4.070 50 0 EIAALO c1cc([C@@H]2CCCCO2)oc1C[N@H+]1CCc2n[nH]c(C3CCC3)c2C1 ZINC000023158604 212357516 /nfs/dbraw/zinc/35/75/16/212357516.db2.gz QAOVLGTWRIMHRO-SFHVURJKSA-N 1 2 341.455 4.070 50 0 EIAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000022558517 212307461 /nfs/dbraw/zinc/30/74/61/212307461.db2.gz PRJSRZURHUEKCH-UHFFFAOYSA-N 1 2 327.815 4.199 50 0 EIAALO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229679916 242189189 /nfs/dbraw/zinc/18/91/89/242189189.db2.gz FAYQCTPDKHVNEW-DGCLKSJQSA-N 1 2 325.334 4.072 50 0 EIAALO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000229679916 242189194 /nfs/dbraw/zinc/18/91/94/242189194.db2.gz FAYQCTPDKHVNEW-DGCLKSJQSA-N 1 2 325.334 4.072 50 0 EIAALO COc1ccc(C[NH+]2CCN(Cc3ccc4ccccc4c3)CC2)cc1 ZINC000019900159 212080903 /nfs/dbraw/zinc/08/09/03/212080903.db2.gz FRBFOVICXRVYEY-UHFFFAOYSA-N 1 2 346.474 4.166 50 0 EIAALO Cc1nnc(C2CC[NH+](Cc3c(F)cccc3Cl)CC2)s1 ZINC000049365811 214002467 /nfs/dbraw/zinc/00/24/67/214002467.db2.gz XYQVSZWKWDZLSF-UHFFFAOYSA-N 1 2 325.840 4.019 50 0 EIAALO CC(C)c1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)[nH]n1 ZINC000019147180 212002162 /nfs/dbraw/zinc/00/21/62/212002162.db2.gz RWINNMOBOCZATJ-HNNXBMFYSA-N 1 2 345.874 4.281 50 0 EIAALO CC(C)c1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)[nH]n1 ZINC000019147180 212002166 /nfs/dbraw/zinc/00/21/66/212002166.db2.gz RWINNMOBOCZATJ-HNNXBMFYSA-N 1 2 345.874 4.281 50 0 EIAALO COc1ccccc1CCC(=O)Nc1ccc2[nH]c(C3CC3)[nH+]c2c1 ZINC000079476815 217230189 /nfs/dbraw/zinc/23/01/89/217230189.db2.gz GXWBRDSQXFBVTC-UHFFFAOYSA-N 1 2 335.407 4.020 50 0 EIAALO O=C(NCCCn1cc[nH+]c1)c1cc2sc3ccccc3c2s1 ZINC000012523874 211398038 /nfs/dbraw/zinc/39/80/38/211398038.db2.gz YHTIFCMKHPPYAF-UHFFFAOYSA-N 1 2 341.461 4.133 50 0 EIAALO Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH]cc[nH+]2)c1 ZINC000012299827 211337335 /nfs/dbraw/zinc/33/73/35/211337335.db2.gz VSQLXOHWYRWRCV-QFIPXVFZSA-N 1 2 342.446 4.347 50 0 EIAALO Clc1ccccc1Cn1ncc2c1nc[nH+]c2NC1CCCCC1 ZINC000010490885 211177255 /nfs/dbraw/zinc/17/72/55/211177255.db2.gz LLXWVRIKPRTTDE-UHFFFAOYSA-N 1 2 341.846 4.273 50 0 EIAALO CC[N@H+](CCCNc1nc(-c2ccccc2F)no1)c1ccccc1 ZINC000009726802 211119698 /nfs/dbraw/zinc/11/96/98/211119698.db2.gz 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ZINC000016420656 563810952 /nfs/dbraw/zinc/81/09/52/563810952.db2.gz ONNPPRPYVMAWSU-YJBOKZPZSA-N 1 2 342.508 4.243 50 0 EIAALO CC(C)(C)C1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000024901968 563877345 /nfs/dbraw/zinc/87/73/45/563877345.db2.gz FDVZXQRKSVIWDP-UHFFFAOYSA-N 1 2 326.444 4.058 50 0 EIAALO CC(C)CNC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000028273290 563902027 /nfs/dbraw/zinc/90/20/27/563902027.db2.gz HYMWDPCHYYYEJF-UHFFFAOYSA-N 1 2 339.464 4.012 50 0 EIAALO C[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000030029040 563909396 /nfs/dbraw/zinc/90/93/96/563909396.db2.gz FPKIEXRTBQQQMG-QGZVFWFLSA-N 1 2 349.261 4.122 50 0 EIAALO C[N@H+]1CCN(C(=O)c2cc(Cl)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000030029040 563909397 /nfs/dbraw/zinc/90/93/97/563909397.db2.gz FPKIEXRTBQQQMG-QGZVFWFLSA-N 1 2 349.261 4.122 50 0 EIAALO Cc1ccc(C)c(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000023281856 563919168 /nfs/dbraw/zinc/91/91/68/563919168.db2.gz QWRPFWKRILNLNA-UHFFFAOYSA-N 1 2 332.850 4.418 50 0 EIAALO O=C(Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1)C1CCCC1 ZINC000033019882 563928786 /nfs/dbraw/zinc/92/87/86/563928786.db2.gz YSJXOKXZOPUTPS-UHFFFAOYSA-N 1 2 333.435 4.477 50 0 EIAALO C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000055054399 563933482 /nfs/dbraw/zinc/93/34/82/563933482.db2.gz MASCOBICGCUTFQ-UHFFFAOYSA-N 1 2 347.340 4.387 50 0 EIAALO C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000055054399 563933484 /nfs/dbraw/zinc/93/34/84/563933484.db2.gz MASCOBICGCUTFQ-UHFFFAOYSA-N 1 2 347.340 4.387 50 0 EIAALO CCc1c(C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)[nH]c(C)c1C(C)=O ZINC000058392668 563944667 /nfs/dbraw/zinc/94/46/67/563944667.db2.gz VNFJDFHRGPVOCF-MRXNPFEDSA-N 1 2 344.480 4.169 50 0 EIAALO CCc1c(C(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)[nH]c(C)c1C(C)=O ZINC000058392668 563944668 /nfs/dbraw/zinc/94/46/68/563944668.db2.gz VNFJDFHRGPVOCF-MRXNPFEDSA-N 1 2 344.480 4.169 50 0 EIAALO CSc1ccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1F ZINC000096461739 563954048 /nfs/dbraw/zinc/95/40/48/563954048.db2.gz ZDIIQLNZMZFNPV-CYBMUJFWSA-N 1 2 334.420 4.030 50 0 EIAALO c1[nH+]c(-c2ccccc2)c([C@@H]2CCOC2)n1CCOc1ccccc1 ZINC000065489825 563961531 /nfs/dbraw/zinc/96/15/31/563961531.db2.gz LDSVXIMQTVSHSJ-GOSISDBHSA-N 1 2 334.419 4.133 50 0 EIAALO Cc1cccc(NC(=O)[C@@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)c1C ZINC000033071688 563963394 /nfs/dbraw/zinc/96/33/94/563963394.db2.gz ABVCLOYJANAYID-MRXNPFEDSA-N 1 2 348.450 4.035 50 0 EIAALO Clc1ccc([C@@H]2C[N@H+](CCc3ccccn3)CCO2)cc1Cl ZINC000071751278 563965118 /nfs/dbraw/zinc/96/51/18/563965118.db2.gz SHECAWJMNGSQEB-KRWDZBQOSA-N 1 2 337.250 4.004 50 0 EIAALO Clc1ccc([C@@H]2C[N@@H+](CCc3ccccn3)CCO2)cc1Cl ZINC000071751278 563965119 /nfs/dbraw/zinc/96/51/19/563965119.db2.gz SHECAWJMNGSQEB-KRWDZBQOSA-N 1 2 337.250 4.004 50 0 EIAALO Cc1nc(CCn2cc[nH+]c2-c2ccc3c(c2)Cc2ccccc2-3)no1 ZINC000077286208 563968711 /nfs/dbraw/zinc/96/87/11/563968711.db2.gz OQMCHKHLBUPNNX-UHFFFAOYSA-N 1 2 342.402 4.055 50 0 EIAALO Cc1cc(C)n(-c2cccc(-c3[nH+]ccn3Cc3c(C)noc3C)c2)n1 ZINC000077377755 563969297 /nfs/dbraw/zinc/96/92/97/563969297.db2.gz UQZWSOBGYCVHOX-UHFFFAOYSA-N 1 2 347.422 4.006 50 0 EIAALO Cc1cccn2cc(-c3ccc(NC(=O)Cc4ccccc4)cc3)[nH+]c12 ZINC000000079510 563974559 /nfs/dbraw/zinc/97/45/59/563974559.db2.gz FPLNNVHPIOFWGQ-UHFFFAOYSA-N 1 2 341.414 4.491 50 0 EIAALO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000071954398 563983762 /nfs/dbraw/zinc/98/37/62/563983762.db2.gz ZINWHTRMBABYGB-MRXNPFEDSA-N 1 2 344.886 4.300 50 0 EIAALO Cc1ccccc1CN(C)C(=O)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000071954398 563983763 /nfs/dbraw/zinc/98/37/63/563983763.db2.gz ZINWHTRMBABYGB-MRXNPFEDSA-N 1 2 344.886 4.300 50 0 EIAALO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc(F)c(Cl)cc2F)c1 ZINC000136813776 563997958 /nfs/dbraw/zinc/99/79/58/563997958.db2.gz PECKGTONKMFSEW-UHFFFAOYSA-N 1 2 347.752 4.271 50 0 EIAALO CC(C)([NH2+]Cc1nccn1C(F)F)c1ccccc1Br ZINC000179329066 564001940 /nfs/dbraw/zinc/00/19/40/564001940.db2.gz IPYZYOBKNUKFSJ-UHFFFAOYSA-N 1 2 344.203 4.066 50 0 EIAALO CCCCN(CC)c1[nH+]cnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017270313 564011548 /nfs/dbraw/zinc/01/15/48/564011548.db2.gz OAKIDXKDFMYRDO-UHFFFAOYSA-N 1 2 343.862 4.404 50 0 EIAALO CCCN(CCC)c1[nH+]cnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017271710 564011550 /nfs/dbraw/zinc/01/15/50/564011550.db2.gz DQFUZVLWIXBGBO-UHFFFAOYSA-N 1 2 343.862 4.404 50 0 EIAALO O=C(Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000012560201 564059506 /nfs/dbraw/zinc/05/95/06/564059506.db2.gz XNPNYTOXIYHMNH-UHFFFAOYSA-N 1 2 349.287 4.283 50 0 EIAALO Cc1ccc2c(cccc2NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000044225116 564059781 /nfs/dbraw/zinc/05/97/81/564059781.db2.gz HTPGOITWKGMXNZ-UHFFFAOYSA-N 1 2 342.402 4.040 50 0 EIAALO COc1cc[nH+]cc1NC(=O)c1ccccc1N(C)c1ccccc1 ZINC000083869649 564064114 /nfs/dbraw/zinc/06/41/14/564064114.db2.gz FFGXGXVHJTXVFG-UHFFFAOYSA-N 1 2 333.391 4.110 50 0 EIAALO CC(C)[C@H](Sc1[nH+]cc2ccccn21)C(=O)NC1CCCCCC1 ZINC000084409091 564068074 /nfs/dbraw/zinc/06/80/74/564068074.db2.gz MFJAFLBAQCPHJF-KRWDZBQOSA-N 1 2 345.512 4.290 50 0 EIAALO O=C(NCCCn1cc[nH+]c1-c1ccccc1)c1ccccc1Cl ZINC000085555027 564073898 /nfs/dbraw/zinc/07/38/98/564073898.db2.gz WCMRMNBUDFBMHP-UHFFFAOYSA-N 1 2 339.826 4.024 50 0 EIAALO COc1cccc(C(=O)Nc2ccccc2-c2cn3c([nH+]2)CCCC3)c1 ZINC000575619170 564083782 /nfs/dbraw/zinc/08/37/82/564083782.db2.gz IHSXSMCFWFFIFW-UHFFFAOYSA-N 1 2 347.418 4.147 50 0 EIAALO CCc1[nH]c2cc(CCC(=O)N[C@@H](C)CCc3ccccc3)ccc2[nH+]1 ZINC000075465564 564085996 /nfs/dbraw/zinc/08/59/96/564085996.db2.gz BEWYISASHHXDAF-INIZCTEOSA-N 1 2 349.478 4.195 50 0 EIAALO CCc1[nH]c2ccc(CCC(=O)N[C@@H](C)CCc3ccccc3)cc2[nH+]1 ZINC000075465564 564085997 /nfs/dbraw/zinc/08/59/97/564085997.db2.gz BEWYISASHHXDAF-INIZCTEOSA-N 1 2 349.478 4.195 50 0 EIAALO CC(C)c1[nH]c2ccc(NC(=O)N[C@@H]3CCc4ccccc43)cc2[nH+]1 ZINC000426486027 564093841 /nfs/dbraw/zinc/09/38/41/564093841.db2.gz ULZHROXXLDHYDS-MRXNPFEDSA-N 1 2 334.423 4.495 50 0 EIAALO CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1(C)C ZINC000065493371 564106467 /nfs/dbraw/zinc/10/64/67/564106467.db2.gz ICYFQUSHKHYEBU-RHSMWYFYSA-N 1 2 327.403 4.188 50 0 EIAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2cccs2)c1C ZINC000252444300 564118443 /nfs/dbraw/zinc/11/84/43/564118443.db2.gz XIIZHANUUHWHCE-HIFRSBDPSA-N 1 2 344.480 4.304 50 0 EIAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2cccs2)c1C ZINC000252444300 564118444 /nfs/dbraw/zinc/11/84/44/564118444.db2.gz XIIZHANUUHWHCE-HIFRSBDPSA-N 1 2 344.480 4.304 50 0 EIAALO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)cc1C ZINC000252444158 564118471 /nfs/dbraw/zinc/11/84/71/564118471.db2.gz GPKDYWJVQIPDGQ-JKSUJKDBSA-N 1 2 342.508 4.161 50 0 EIAALO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3sccc3[C@H]2C)cc1C ZINC000252444158 564118472 /nfs/dbraw/zinc/11/84/72/564118472.db2.gz GPKDYWJVQIPDGQ-JKSUJKDBSA-N 1 2 342.508 4.161 50 0 EIAALO CCC[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000252463370 564118778 /nfs/dbraw/zinc/11/87/78/564118778.db2.gz DSDSXWCTEZRXQP-CRAIPNDOSA-N 1 2 342.508 4.325 50 0 EIAALO CCC[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000252463370 564118779 /nfs/dbraw/zinc/11/87/79/564118779.db2.gz DSDSXWCTEZRXQP-CRAIPNDOSA-N 1 2 342.508 4.325 50 0 EIAALO Cc1nc([C@@H](C)[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 ZINC000252484030 564119250 /nfs/dbraw/zinc/11/92/50/564119250.db2.gz FMMFXSOZIOFIBL-OTYXRUKQSA-N 1 2 325.334 4.199 50 0 EIAALO c1csc([C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)c2ncc[nH]2)c1 ZINC000195094174 564122728 /nfs/dbraw/zinc/12/27/28/564122728.db2.gz QUXZIBAIZJXVQA-QGZVFWFLSA-N 1 2 339.468 4.058 50 0 EIAALO COc1ccc2oc([C@@H](C)[NH2+]Cc3nnc(C4CCC4)o3)c(C)c2c1 ZINC000195561404 564123866 /nfs/dbraw/zinc/12/38/66/564123866.db2.gz DSGFHNWSXMBWHF-GFCCVEGCSA-N 1 2 341.411 4.251 50 0 EIAALO CSc1nnc(C[NH2+][C@H](C)c2ccc(SC(F)F)cc2)s1 ZINC000253418237 564130894 /nfs/dbraw/zinc/13/08/94/564130894.db2.gz XSTCXFIVOWSQFW-MRVPVSSYSA-N 1 2 347.481 4.426 50 0 EIAALO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)o1 ZINC000096014089 564144855 /nfs/dbraw/zinc/14/48/55/564144855.db2.gz IHYNLKUXOTZSAR-RYUDHWBXSA-N 1 2 329.400 4.107 50 0 EIAALO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000008267800 564163919 /nfs/dbraw/zinc/16/39/19/564163919.db2.gz CGSCAGIEIYXAOJ-QWHCGFSZSA-N 1 2 341.282 4.444 50 0 EIAALO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000008267800 564163920 /nfs/dbraw/zinc/16/39/20/564163920.db2.gz CGSCAGIEIYXAOJ-QWHCGFSZSA-N 1 2 341.282 4.444 50 0 EIAALO Cc1noc(C)c1C[N@@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000069442822 564169545 /nfs/dbraw/zinc/16/95/45/564169545.db2.gz CEFXVMVLOWAWGS-IBGZPJMESA-N 1 2 325.387 4.047 50 0 EIAALO Cc1noc(C)c1C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000069442822 564169546 /nfs/dbraw/zinc/16/95/46/564169546.db2.gz CEFXVMVLOWAWGS-IBGZPJMESA-N 1 2 325.387 4.047 50 0 EIAALO CCCc1noc([C@@H](C)[NH2+][C@H](c2cccnc2)C2CCCCC2)n1 ZINC000069443385 564169561 /nfs/dbraw/zinc/16/95/61/564169561.db2.gz MGJUPBUIEZSHGX-KDOFPFPSSA-N 1 2 328.460 4.389 50 0 EIAALO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000069515471 564170035 /nfs/dbraw/zinc/17/00/35/564170035.db2.gz MBNKGLQSNXDBJS-CYBMUJFWSA-N 1 2 334.379 4.071 50 0 EIAALO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000069515471 564170036 /nfs/dbraw/zinc/17/00/36/564170036.db2.gz MBNKGLQSNXDBJS-CYBMUJFWSA-N 1 2 334.379 4.071 50 0 EIAALO COc1ccc([C@@H]2CCCN2c2cc(C)[nH+]c(-c3ccncc3)n2)cc1 ZINC000070037481 564173441 /nfs/dbraw/zinc/17/34/41/564173441.db2.gz BUBXAJCYXFOSGD-IBGZPJMESA-N 1 2 346.434 4.197 50 0 EIAALO CN(C(=O)CC/C=C/c1ccccc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000078093644 564176912 /nfs/dbraw/zinc/17/69/12/564176912.db2.gz JKDQUUFASUDTCJ-VZUCSPMQSA-N 1 2 349.478 4.002 50 0 EIAALO