smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2cccc(Cl)c2n1 ZINC000097713586 219050897 /nfs/dbraw/zinc/05/08/97/219050897.db2.gz KFIYPIJBBSLKEI-UHFFFAOYSA-N 1 2 342.874 4.541 50 0 EJAALO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2cccc(Cl)c2n1 ZINC000097713586 219050899 /nfs/dbraw/zinc/05/08/99/219050899.db2.gz KFIYPIJBBSLKEI-UHFFFAOYSA-N 1 2 342.874 4.541 50 0 EJAALO c1ccc(C2=[NH+]N(c3ccccc3)[C@]3(c4ccccc4)CC[C@@H]3N2)cc1 ZINC000004671110 210242489 /nfs/dbraw/zinc/24/24/89/210242489.db2.gz GDZHOQWIHOHPDP-GMAHTHKFSA-N 1 2 339.442 4.516 50 0 EJAALO COc1ccccc1[C@H](C)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000058004625 214469714 /nfs/dbraw/zinc/46/97/14/214469714.db2.gz HGHQCXZBPMOLDB-LBPRGKRZSA-N 1 2 330.478 4.731 50 0 EJAALO COc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc(C)cc2)cc1O ZINC000003911601 210093026 /nfs/dbraw/zinc/09/30/26/210093026.db2.gz GEYRQPNSYPWJPG-UHFFFAOYSA-N 1 2 345.402 4.768 50 0 EJAALO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000069514812 215452733 /nfs/dbraw/zinc/45/27/33/215452733.db2.gz VSAZFLLOXDCXET-STQMWFEESA-N 1 2 327.815 4.802 50 0 EJAALO c1ccc(CC[NH2+]c2ccc(OCCOc3ccccc3)cc2)cc1 ZINC000019738242 202018385 /nfs/dbraw/zinc/01/83/85/202018385.db2.gz AFIMBALRGKFWRY-UHFFFAOYSA-N 1 2 333.431 4.799 50 0 EJAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2)no1 ZINC000021720204 202070177 /nfs/dbraw/zinc/07/01/77/202070177.db2.gz NPHUNUCCWIAVBM-MRXNPFEDSA-N 1 2 349.272 4.898 50 0 EJAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccc(Br)cc2)no1 ZINC000021720204 202070180 /nfs/dbraw/zinc/07/01/80/202070180.db2.gz NPHUNUCCWIAVBM-MRXNPFEDSA-N 1 2 349.272 4.898 50 0 EJAALO Clc1ccc(-c2nc(C[N@H+](Cc3ccccc3)C3CC3)no2)cc1 ZINC000036396174 213097342 /nfs/dbraw/zinc/09/73/42/213097342.db2.gz GTGNWUKJAAOPKO-UHFFFAOYSA-N 1 2 339.826 4.555 50 0 EJAALO Clc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)C3CC3)no2)cc1 ZINC000036396174 213097344 /nfs/dbraw/zinc/09/73/44/213097344.db2.gz GTGNWUKJAAOPKO-UHFFFAOYSA-N 1 2 339.826 4.555 50 0 EJAALO COc1cc(-c2[nH+]c3cccc(C)n3c2Nc2ccccc2)ccc1O ZINC000035615803 213043124 /nfs/dbraw/zinc/04/31/24/213043124.db2.gz LVVZHNIKPSWRJG-UHFFFAOYSA-N 1 2 345.402 4.768 50 0 EJAALO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl ZINC000032800292 212845513 /nfs/dbraw/zinc/84/55/13/212845513.db2.gz WTYXWFRPEVGRCP-NSHDSACASA-N 1 2 348.233 4.894 50 0 EJAALO CC(C)c1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000030644495 212704336 /nfs/dbraw/zinc/70/43/36/212704336.db2.gz UANACAUASAAJSX-FQEVSTJZSA-N 1 2 337.442 4.562 50 0 EJAALO Clc1ccc2[nH+]c(CSc3nc4ccccc4s3)cn2c1 ZINC000000081017 209407567 /nfs/dbraw/zinc/40/75/67/209407567.db2.gz DWUQBKINGXYQFJ-UHFFFAOYSA-N 1 2 331.853 4.890 50 0 EJAALO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1nnc(-c2ccccc2)o1 ZINC000026362655 212515146 /nfs/dbraw/zinc/51/51/46/212515146.db2.gz SJLYNPRQXHSQDD-STQMWFEESA-N 1 2 327.815 4.802 50 0 EJAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2OC(C)C)no1 ZINC000021720520 212245219 /nfs/dbraw/zinc/24/52/19/212245219.db2.gz NGWHRPDXVDKFMQ-IBGZPJMESA-N 1 2 328.456 4.751 50 0 EJAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2OC(C)C)no1 ZINC000021720520 212245221 /nfs/dbraw/zinc/24/52/21/212245221.db2.gz NGWHRPDXVDKFMQ-IBGZPJMESA-N 1 2 328.456 4.751 50 0 EJAALO Cc1[nH+]c([C@H](C)Nc2ccc(SCc3ccccc3)cn2)cn1C ZINC000241810051 243003530 /nfs/dbraw/zinc/00/35/30/243003530.db2.gz SCSJJKSGFXLQPB-AWEZNQCLSA-N 1 2 338.480 4.589 50 0 EJAALO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)o1 ZINC000071902708 203143950 /nfs/dbraw/zinc/14/39/50/203143950.db2.gz GCUOZFAYSHLNHA-AAEUAGOBSA-N 1 2 342.468 4.530 50 0 EJAALO CC[C@](C)([NH2+]Cc1ncc(-c2cccs2)o1)c1nc(C)cs1 ZINC000072305286 203199296 /nfs/dbraw/zinc/19/92/96/203199296.db2.gz UBBIQTAJWHJHKG-INIZCTEOSA-N 1 2 333.482 4.583 50 0 EJAALO COc1ccc2oc(/C=C/[NH+](C)C)c(C(=O)c3ccc(C)cc3)c2c1 ZINC000049581093 214020170 /nfs/dbraw/zinc/02/01/70/214020170.db2.gz CRDBPMQHWGVLIV-VAWYXSNFSA-N 1 2 335.403 4.513 50 0 EJAALO O=C(/C=C/c1cccc2ccccc12)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000012525636 211399263 /nfs/dbraw/zinc/39/92/63/211399263.db2.gz YJURHYKHKAPTRX-MDWZMJQESA-N 1 2 339.398 4.677 50 0 EJAALO CC(C)n1ccnc1C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000095411945 218348679 /nfs/dbraw/zinc/34/86/79/218348679.db2.gz CDCIJCSDOOYMAP-GOSISDBHSA-N 1 2 329.444 4.544 50 0 EJAALO Cc1ccc2[nH+]c(CSc3ccccc3Br)cn2c1 ZINC000008542374 210963405 /nfs/dbraw/zinc/96/34/05/210963405.db2.gz CIPNQXZOQJYNMK-UHFFFAOYSA-N 1 2 333.254 4.698 50 0 EJAALO O=C(Nc1ccccc1C1=[NH+]CCc2ccccc21)C1CCCCC1 ZINC000002997427 258050336 /nfs/dbraw/zinc/05/03/36/258050336.db2.gz XISSAOQCCBMZME-UHFFFAOYSA-N 1 2 332.447 4.599 50 0 EJAALO Cc1ccc(N[C@@H](C)c2cn3ccccc3[nH+]2)cc1Br ZINC000225411115 564046518 /nfs/dbraw/zinc/04/65/18/564046518.db2.gz GFYFGXKZLJZVLF-LBPRGKRZSA-N 1 2 330.229 4.578 50 0 EJAALO Cc1[nH+]c2cc(NC(=O)c3ccccc3)ccc2n1Cc1ccccc1 ZINC000000103933 563226895 /nfs/dbraw/zinc/22/68/95/563226895.db2.gz FSBPCZWNLMRHIE-UHFFFAOYSA-N 1 2 341.414 4.645 50 0 EJAALO CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccco3)ccc2[nH+]1 ZINC000000213129 563261081 /nfs/dbraw/zinc/26/10/81/563261081.db2.gz DRKXYVLEIYLCPW-PKNBQFBNSA-N 1 2 349.434 4.634 50 0 EJAALO Cc1cccc2c3c(c(C)[nH+]c12)C[C@H]([C@@](C)(Cl)Br)O3 ZINC000000435929 563312815 /nfs/dbraw/zinc/31/28/15/563312815.db2.gz LLWGIJULDDXRNP-IUODEOHRSA-N 1 2 340.648 4.505 50 0 EJAALO Cc1ccc2[nH+]c(CN(C)Cc3cccc(Cl)c3Cl)cn2c1 ZINC000032751408 563724389 /nfs/dbraw/zinc/72/43/89/563724389.db2.gz IURKYQQNLLLUMU-UHFFFAOYSA-N 1 2 334.250 4.582 50 0 EJAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1ccccc1 ZINC000032960714 563916719 /nfs/dbraw/zinc/91/67/19/563916719.db2.gz MIYSZNJUQZNDCL-UHFFFAOYSA-N 1 2 341.414 4.600 50 0 EJAALO CC[N@H+](Cc1cc(-c2ccccc2)no1)Cc1c(F)cccc1F ZINC000059409865 563948924 /nfs/dbraw/zinc/94/89/24/563948924.db2.gz MLUDJVWVPNHCNA-UHFFFAOYSA-N 1 2 328.362 4.642 50 0 EJAALO CC[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1c(F)cccc1F ZINC000059409865 563948925 /nfs/dbraw/zinc/94/89/25/563948925.db2.gz MLUDJVWVPNHCNA-UHFFFAOYSA-N 1 2 328.362 4.642 50 0 EJAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2)on1 ZINC000064984461 563957520 /nfs/dbraw/zinc/95/75/20/563957520.db2.gz AAQVOLPVJXNFDF-MRXNPFEDSA-N 1 2 349.272 4.898 50 0 EJAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccc(Br)cc2)on1 ZINC000064984461 563957521 /nfs/dbraw/zinc/95/75/21/563957521.db2.gz AAQVOLPVJXNFDF-MRXNPFEDSA-N 1 2 349.272 4.898 50 0 EJAALO CN(C(=O)OC(C)(C)C)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC000066055285 563962158 /nfs/dbraw/zinc/96/21/58/563962158.db2.gz DVTPSYWBJMRFCO-UHFFFAOYSA-N 1 2 338.451 4.574 50 0 EJAALO CN(C(=O)OC(C)(C)C)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC000066055285 563962159 /nfs/dbraw/zinc/96/21/59/563962159.db2.gz DVTPSYWBJMRFCO-UHFFFAOYSA-N 1 2 338.451 4.574 50 0 EJAALO Cc1ccc([C@H](c2ccncc2)n2cc[nH+]c2-c2ccsc2)cc1 ZINC000071764412 563965467 /nfs/dbraw/zinc/96/54/67/563965467.db2.gz JSZUGEWVSMVBDA-LJQANCHMSA-N 1 2 331.444 4.953 50 0 EJAALO CCCC(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2CC)cc1 ZINC000033252626 563966077 /nfs/dbraw/zinc/96/60/77/563966077.db2.gz OWFRZIJXDHUGON-UHFFFAOYSA-N 1 2 335.451 4.580 50 0 EJAALO CC[C@@H](Nc1nc2cc(C(F)(F)F)ccc2s1)c1[nH]cc[nH+]1 ZINC000097104047 563967636 /nfs/dbraw/zinc/96/76/36/563967636.db2.gz KDDZLKXUASUVRZ-SECBINFHSA-N 1 2 326.347 4.601 50 0 EJAALO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccc2ccccc2c1 ZINC000005208791 564000614 /nfs/dbraw/zinc/00/06/14/564000614.db2.gz AXAUKNVWDKQDPP-UHFFFAOYSA-N 1 2 329.403 4.527 50 0 EJAALO Cc1cccn2cc(-c3cccc(NC(=O)c4ccccc4)c3)[nH+]c12 ZINC000000553042 564023041 /nfs/dbraw/zinc/02/30/41/564023041.db2.gz FGTJOSSOEODSEI-UHFFFAOYSA-N 1 2 327.387 4.562 50 0 EJAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccsc3)n2)on1 ZINC000048249226 564030223 /nfs/dbraw/zinc/03/02/23/564030223.db2.gz GSQSLKQVNIJITM-CQSZACIVSA-N 1 2 331.466 4.505 50 0 EJAALO Cc1cc([C@H]2CCC[N@H+]2Cc2csc(-c3ccsc3)n2)on1 ZINC000048249226 564030224 /nfs/dbraw/zinc/03/02/24/564030224.db2.gz GSQSLKQVNIJITM-CQSZACIVSA-N 1 2 331.466 4.505 50 0 EJAALO CC(C)[N@H+](Cc1csc(-c2ccsc2)n1)Cc1ccccn1 ZINC000048251636 564030436 /nfs/dbraw/zinc/03/04/36/564030436.db2.gz YHDYLXGCFRDUNG-UHFFFAOYSA-N 1 2 329.494 4.677 50 0 EJAALO CC(C)[N@@H+](Cc1csc(-c2ccsc2)n1)Cc1ccccn1 ZINC000048251636 564030437 /nfs/dbraw/zinc/03/04/37/564030437.db2.gz YHDYLXGCFRDUNG-UHFFFAOYSA-N 1 2 329.494 4.677 50 0 EJAALO CCCCc1nc(C[NH2+]C2(c3nc(C)cs3)CCCC2)cs1 ZINC000081595532 564034058 /nfs/dbraw/zinc/03/40/58/564034058.db2.gz YXKAPGDLROMSCO-UHFFFAOYSA-N 1 2 335.542 4.810 50 0 EJAALO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)s1 ZINC000241139448 564051877 /nfs/dbraw/zinc/05/18/77/564051877.db2.gz JQZZMPLYMIKOFY-CYBMUJFWSA-N 1 2 346.443 5.115 50 0 EJAALO Cc1nc(C(F)(F)F)c(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)s1 ZINC000241139448 564051878 /nfs/dbraw/zinc/05/18/78/564051878.db2.gz JQZZMPLYMIKOFY-CYBMUJFWSA-N 1 2 346.443 5.115 50 0 EJAALO COc1cc(-c2[nH+]c3ccccn3c2Nc2ccccc2C)ccc1O ZINC000003911574 564060387 /nfs/dbraw/zinc/06/03/87/564060387.db2.gz DVVGFNFJUOTIDK-UHFFFAOYSA-N 1 2 345.402 4.768 50 0 EJAALO Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(Br)s2)c1 ZINC000015837110 564076467 /nfs/dbraw/zinc/07/64/67/564076467.db2.gz JFOVTIKUAOSABJ-CQSZACIVSA-N 1 2 340.261 4.987 50 0 EJAALO Fc1cccc([C@H]2CCC[N@H+]2Cc2ccc(Br)s2)c1 ZINC000015837110 564076468 /nfs/dbraw/zinc/07/64/68/564076468.db2.gz JFOVTIKUAOSABJ-CQSZACIVSA-N 1 2 340.261 4.987 50 0 EJAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1cccs1 ZINC000015863860 564077152 /nfs/dbraw/zinc/07/71/52/564077152.db2.gz ISMBULANZGYJRI-UHFFFAOYSA-N 1 2 347.443 4.662 50 0 EJAALO CC(C)Sc1cccc(Cl)c1C[NH2+]Cc1nccn1C(F)F ZINC000192509525 564090313 /nfs/dbraw/zinc/09/03/13/564090313.db2.gz RIEBUFOKQISJMY-UHFFFAOYSA-N 1 2 345.846 4.722 50 0 EJAALO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000006637453 564094735 /nfs/dbraw/zinc/09/47/35/564094735.db2.gz ADGWYZAXVIOGRE-JKSUJKDBSA-N 1 2 342.458 4.798 50 0 EJAALO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000006637453 564094736 /nfs/dbraw/zinc/09/47/36/564094736.db2.gz ADGWYZAXVIOGRE-JKSUJKDBSA-N 1 2 342.458 4.798 50 0 EJAALO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1cccc(Cl)c1 ZINC000006975802 564102576 /nfs/dbraw/zinc/10/25/76/564102576.db2.gz GYGUYTHTNARFLG-UHFFFAOYSA-N 1 2 348.233 4.675 50 0 EJAALO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1cccc(Cl)c1 ZINC000006975802 564102577 /nfs/dbraw/zinc/10/25/77/564102577.db2.gz GYGUYTHTNARFLG-UHFFFAOYSA-N 1 2 348.233 4.675 50 0 EJAALO Cc1nnc([C@H](C)[NH2+]C(c2ccccc2C)c2ccccc2C)s1 ZINC000252486140 564119357 /nfs/dbraw/zinc/11/93/57/564119357.db2.gz HHXQQTGDZFDTBC-HNNXBMFYSA-N 1 2 337.492 4.904 50 0 EJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2ccccc2C)cc1 ZINC000002444744 564135255 /nfs/dbraw/zinc/13/52/55/564135255.db2.gz CBXWZEJYIGMYDV-UHFFFAOYSA-N 1 2 346.459 4.725 50 0 EJAALO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000079586945 564138249 /nfs/dbraw/zinc/13/82/49/564138249.db2.gz GXZQXGHEORQYIV-UHFFFAOYSA-N 1 2 346.217 4.646 50 0 EJAALO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1csc(C2CC2)n1 ZINC000095437372 564140430 /nfs/dbraw/zinc/14/04/30/564140430.db2.gz JCFBFZQAUJDKHM-VIFPVBQESA-N 1 2 342.386 4.612 50 0 EJAALO Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1[nH+]ccn1C(C)C ZINC000095965628 564142937 /nfs/dbraw/zinc/14/29/37/564142937.db2.gz HMVNSYWBVDVHPI-UHFFFAOYSA-N 1 2 344.459 4.732 50 0 EJAALO C[C@@H](Nc1nc(N2CCCCC2)[nH+]c2ccccc21)c1ccccc1 ZINC000096901208 564148972 /nfs/dbraw/zinc/14/89/72/564148972.db2.gz IVHLLLANKSUTQN-MRXNPFEDSA-N 1 2 332.451 4.793 50 0 EJAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1[C@@H](C)CC ZINC000008719767 564166926 /nfs/dbraw/zinc/16/69/26/564166926.db2.gz TYXJWQRBHLKTOG-HNNXBMFYSA-N 1 2 335.451 4.751 50 0 EJAALO COc1ccc(-c2cn3cc(-c4cccc(Cl)c4)n(C)c3[nH+]2)cc1 ZINC000004678333 210244657 /nfs/dbraw/zinc/24/46/57/210244657.db2.gz JTOHIYSTESQVHS-UHFFFAOYSA-N 1 2 337.810 4.669 50 0 EJAALO Cc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000057049687 214403081 /nfs/dbraw/zinc/40/30/81/214403081.db2.gz XRXSAOYZUCDCSA-LJQANCHMSA-N 1 2 342.870 4.814 50 0 EJAALO CC(=O)N(c1nc(C[N@H+]2CCCC[C@H]2C)cs1)c1ccc(C)cc1 ZINC000049982708 214038790 /nfs/dbraw/zinc/03/87/90/214038790.db2.gz NSWLZHZDEQLQJD-OAHLLOKOSA-N 1 2 343.496 4.511 50 0 EJAALO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@H]2C)cs1)c1ccc(C)cc1 ZINC000049982708 214038793 /nfs/dbraw/zinc/03/87/93/214038793.db2.gz NSWLZHZDEQLQJD-OAHLLOKOSA-N 1 2 343.496 4.511 50 0 EJAALO c1ccc(C2=[NH+]N(c3ccccc3)[C@@]3(c4ccccc4)CC[C@@H]3N2)cc1 ZINC000004671111 210242615 /nfs/dbraw/zinc/24/26/15/210242615.db2.gz GDZHOQWIHOHPDP-JTHBVZDNSA-N 1 2 339.442 4.516 50 0 EJAALO Cc1ccc(C(=O)c2c[nH+]c3ccc(F)cc3c2N2CCCC2)cc1C ZINC000020380691 202040755 /nfs/dbraw/zinc/04/07/55/202040755.db2.gz UTUIVKVUCOAJSA-UHFFFAOYSA-N 1 2 348.421 4.822 50 0 EJAALO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1OCC ZINC000021719951 202069441 /nfs/dbraw/zinc/06/94/41/202069441.db2.gz JDRLPPMICIZPLQ-SFHVURJKSA-N 1 2 344.455 4.508 50 0 EJAALO CCCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1OCC ZINC000021719951 202069444 /nfs/dbraw/zinc/06/94/44/202069444.db2.gz JDRLPPMICIZPLQ-SFHVURJKSA-N 1 2 344.455 4.508 50 0 EJAALO CCOc1ccc(Nc2c(-c3cccc(O)c3)[nH+]c3ccccn32)cc1 ZINC000035616499 213043129 /nfs/dbraw/zinc/04/31/29/213043129.db2.gz VDVZSSKNXLOYFO-UHFFFAOYSA-N 1 2 345.402 4.849 50 0 EJAALO COc1cccc(Nc2c(-c3cccc(O)c3)[nH+]c3ccc(C)cn32)c1 ZINC000035616242 213042285 /nfs/dbraw/zinc/04/22/85/213042285.db2.gz ZBRUTSDWGKIYSC-UHFFFAOYSA-N 1 2 345.402 4.768 50 0 EJAALO Cc1ccc2[nH+]c(-c3cccc(O)c3)c(Nc3ccc(F)cc3)n2c1 ZINC000035616386 213042302 /nfs/dbraw/zinc/04/23/02/213042302.db2.gz JSBXKSYKXBGXDC-UHFFFAOYSA-N 1 2 333.366 4.898 50 0 EJAALO COc1cccc(Nc2c(-c3cccc(O)c3)[nH+]c3cc(C)ccn32)c1 ZINC000035616208 213042161 /nfs/dbraw/zinc/04/21/61/213042161.db2.gz UCNRQFCXEOFOMK-UHFFFAOYSA-N 1 2 345.402 4.768 50 0 EJAALO CCOc1ccc(Nc2c(-c3ccc(O)cc3)[nH+]c3ccccn32)cc1 ZINC000035616505 213042203 /nfs/dbraw/zinc/04/22/03/213042203.db2.gz 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CC(C)c1ccc([C@H](C)[NH2+]Cc2noc(Cc3ccccc3)n2)cc1 ZINC000095957522 564142575 /nfs/dbraw/zinc/14/25/75/564142575.db2.gz ZUIHVBHSIUNQLF-INIZCTEOSA-N 1 2 335.451 4.635 50 0 EJAALO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)s1 ZINC000095969007 564143298 /nfs/dbraw/zinc/14/32/98/564143298.db2.gz VULRKBJRUJEOHP-VHSXEESVSA-N 1 2 330.375 4.604 50 0 EJAALO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000030006552 564155156 /nfs/dbraw/zinc/15/51/56/564155156.db2.gz YZSLAXTUIMTADG-AWEZNQCLSA-N 1 2 333.391 4.676 50 0 EJAALO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000030006552 564155157 /nfs/dbraw/zinc/15/51/57/564155157.db2.gz YZSLAXTUIMTADG-AWEZNQCLSA-N 1 2 333.391 4.676 50 0 EJAALO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCC1)c1cccs1 ZINC000008419607 564165197 /nfs/dbraw/zinc/16/51/97/564165197.db2.gz UYJVFEWXXSGYEQ-UHFFFAOYSA-N 1 2 332.856 4.673 50 0 EJAALO COc1ccc2oc(/C=C(\C)[NH+](C)C)c(C(=O)c3ccccc3)c2c1 ZINC000039931784 564167701 /nfs/dbraw/zinc/16/77/01/564167701.db2.gz VQPWGJOYFYMZOU-WYMLVPIESA-N 1 2 335.403 4.595 50 0 EJAALO CC(C)([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(F)cc1Cl ZINC000069699105 564171555 /nfs/dbraw/zinc/17/15/55/564171555.db2.gz MHSJAJIHUWQRST-UHFFFAOYSA-N 1 2 345.805 4.554 50 0 EJAALO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3cccc(F)c3)s2)c(C)o1 ZINC000225577226 568423046 /nfs/dbraw/zinc/42/30/46/568423046.db2.gz YSKCVVDJLTYHON-NEPJUHHUSA-N 1 2 345.443 4.966 50 0 EJAALO c1ccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004126237 210127398 /nfs/dbraw/zinc/12/73/98/210127398.db2.gz LADDRPDIGSDXRB-UHFFFAOYSA-N 1 2 343.386 4.516 50 0 EJAALO CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658673 210072228 /nfs/dbraw/zinc/07/22/28/210072228.db2.gz RRPKNSIVJZJLLY-UHFFFAOYSA-N 1 2 335.407 4.949 50 0 EJAALO Fc1cccc(F)c1C[N@@H+]1CCCn2cccc2[C@H]1c1ccccc1 ZINC000037523343 213153708 /nfs/dbraw/zinc/15/37/08/213153708.db2.gz UYCDALQIBHKLOM-OAQYLSRUSA-N 1 2 338.401 4.762 50 0 EJAALO Fc1cccc(F)c1C[N@H+]1CCCn2cccc2[C@H]1c1ccccc1 ZINC000037523343 213153712 /nfs/dbraw/zinc/15/37/12/213153712.db2.gz UYCDALQIBHKLOM-OAQYLSRUSA-N 1 2 338.401 4.762 50 0 EJAALO Fc1cccc(F)c1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccccc1 ZINC000037523344 213153224 /nfs/dbraw/zinc/15/32/24/213153224.db2.gz UYCDALQIBHKLOM-NRFANRHFSA-N 1 2 338.401 4.762 50 0 EJAALO Fc1cccc(F)c1C[N@H+]1CCCn2cccc2[C@@H]1c1ccccc1 ZINC000037523344 213153227 /nfs/dbraw/zinc/15/32/27/213153227.db2.gz UYCDALQIBHKLOM-NRFANRHFSA-N 1 2 338.401 4.762 50 0 EJAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1cccs1 ZINC000033019603 212888755 /nfs/dbraw/zinc/88/87/55/212888755.db2.gz QXBFDVRJECYQOV-UHFFFAOYSA-N 1 2 347.443 4.662 50 0 EJAALO COc1ccccc1[C@H](C)[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000032825415 212851929 /nfs/dbraw/zinc/85/19/29/212851929.db2.gz GGKGUIDQXVDSAM-AWEZNQCLSA-N 1 2 340.398 4.682 50 0 EJAALO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000032825415 212851933 /nfs/dbraw/zinc/85/19/33/212851933.db2.gz GGKGUIDQXVDSAM-AWEZNQCLSA-N 1 2 340.398 4.682 50 0 EJAALO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl ZINC000023218107 212360441 /nfs/dbraw/zinc/36/04/41/212360441.db2.gz CLOIJYXXNRJLRC-NSHDSACASA-N 1 2 348.233 4.894 50 0 EJAALO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2cccc(Br)c2)no1 ZINC000021720222 212244957 /nfs/dbraw/zinc/24/49/57/212244957.db2.gz BCNKANBLTSESOX-INIZCTEOSA-N 1 2 349.272 4.898 50 0 EJAALO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2cccc(Br)c2)no1 ZINC000021720222 212244968 /nfs/dbraw/zinc/24/49/68/212244968.db2.gz BCNKANBLTSESOX-INIZCTEOSA-N 1 2 349.272 4.898 50 0 EJAALO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021720370 212244222 /nfs/dbraw/zinc/24/42/22/212244222.db2.gz CWPJBBMHIODWJT-IBGZPJMESA-N 1 2 328.456 4.924 50 0 EJAALO CCCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021720370 212244227 /nfs/dbraw/zinc/24/42/27/212244227.db2.gz CWPJBBMHIODWJT-IBGZPJMESA-N 1 2 328.456 4.924 50 0 EJAALO Cc1cc(-c2cccc(-c3ccn(Cc4cscn4)n3)c2)cc(C)[nH+]1 ZINC000020993067 212194567 /nfs/dbraw/zinc/19/45/67/212194567.db2.gz 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132195872 /nfs/dbraw/zinc/19/58/72/132195872.db2.gz AUYJCFQITYROAL-UHFFFAOYSA-N 1 2 335.278 4.624 50 0 EJAALO CC(C)c1cc(Br)ccc1OCCCCn1cc[nH+]c1 ZINC000004841580 519831031 /nfs/dbraw/zinc/83/10/31/519831031.db2.gz SKDGFGCCDKSYCD-UHFFFAOYSA-N 1 2 337.261 4.628 50 0 EJAALO CC(C)c1cc([C@@H]2CCCN2Cc2c[nH+]cn2C2CCCCC2)no1 ZINC000244584336 535370368 /nfs/dbraw/zinc/37/03/68/535370368.db2.gz CXMFVFXMQKAYMR-IBGZPJMESA-N 1 2 342.487 4.837 50 0 EJAALO Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Br)s2)cc1 ZINC000015837339 564076510 /nfs/dbraw/zinc/07/65/10/564076510.db2.gz VGIDDZCETXDTGM-CQSZACIVSA-N 1 2 340.261 4.987 50 0 EJAALO Fc1ccc([C@H]2CCC[N@H+]2Cc2ccc(Br)s2)cc1 ZINC000015837339 564076511 /nfs/dbraw/zinc/07/65/11/564076511.db2.gz VGIDDZCETXDTGM-CQSZACIVSA-N 1 2 340.261 4.987 50 0 EJAALO CCOc1ccc([NH2+]CCC(=O)c2ccc(Br)cc2)cc1 ZINC000002521009 563438612 /nfs/dbraw/zinc/43/86/12/563438612.db2.gz PBPXIMBNPFLXEM-UHFFFAOYSA-N 1 2 348.240 4.533 50 0 EJAALO Cc1nnc([C@H](C)[NH2+][C@H](C)c2sc(-c3ccc(C)cc3)nc2C)o1 ZINC000071902707 563555960 /nfs/dbraw/zinc/55/59/60/563555960.db2.gz GCUOZFAYSHLNHA-YPMHNXCESA-N 1 2 342.468 4.530 50 0 EJAALO CCCn1c2ccccc2[nH+]c1NCc1cccc(Br)c1 ZINC000013361850 563697026 /nfs/dbraw/zinc/69/70/26/563697026.db2.gz YTPSWNXGKQMDLM-UHFFFAOYSA-N 1 2 344.256 4.821 50 0 EJAALO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000024976566 563878859 /nfs/dbraw/zinc/87/88/59/563878859.db2.gz DZOPFFXKTSJNPC-ZDUSSCGKSA-N 1 2 327.378 4.551 50 0 EJAALO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCc2ccccc2C1 ZINC000024976566 563878861 /nfs/dbraw/zinc/87/88/61/563878861.db2.gz DZOPFFXKTSJNPC-ZDUSSCGKSA-N 1 2 327.378 4.551 50 0 EJAALO Cc1c(C)n(-c2ccccc2)c2nc[nH+]c(Nc3ccc(F)cc3)c12 ZINC000032960415 563916486 /nfs/dbraw/zinc/91/64/86/563916486.db2.gz WGLYBNMYBONRMN-UHFFFAOYSA-N 1 2 332.382 4.920 50 0 EJAALO CCC(CC)C(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960655 563916728 /nfs/dbraw/zinc/91/67/28/563916728.db2.gz BAGKFXWRFLQCQX-UHFFFAOYSA-N 1 2 335.451 4.723 50 0 EJAALO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000119337970 563925243 /nfs/dbraw/zinc/92/52/43/563925243.db2.gz SPRBOWZSQOVYHL-UHFFFAOYSA-N 1 2 341.411 4.522 50 0 EJAALO C[C@@H](c1ccccc1Cl)[N@H+](CC(=O)Nc1ccccc1)C1CC1 ZINC000059334061 563947968 /nfs/dbraw/zinc/94/79/68/563947968.db2.gz MUIJJAQNBWDMNX-AWEZNQCLSA-N 1 2 328.843 4.504 50 0 EJAALO C[C@@H](c1ccccc1Cl)[N@@H+](CC(=O)Nc1ccccc1)C1CC1 ZINC000059334061 563947969 /nfs/dbraw/zinc/94/79/69/563947969.db2.gz MUIJJAQNBWDMNX-AWEZNQCLSA-N 1 2 328.843 4.504 50 0 EJAALO COCc1ccc2c(c1)c1c3n2CC[N@H+](Cc2ccccc2)[C@@H]3CCC1 ZINC000060050168 563949519 /nfs/dbraw/zinc/94/95/19/563949519.db2.gz XXNVNCLJWPPPSH-JOCHJYFZSA-N 1 2 346.474 4.681 50 0 EJAALO COCc1ccc2c(c1)c1c3n2CC[N@@H+](Cc2ccccc2)[C@@H]3CCC1 ZINC000060050168 563949520 /nfs/dbraw/zinc/94/95/20/563949520.db2.gz XXNVNCLJWPPPSH-JOCHJYFZSA-N 1 2 346.474 4.681 50 0 EJAALO CCn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(Cl)s2)c1 ZINC000157107188 563963215 /nfs/dbraw/zinc/96/32/15/563963215.db2.gz 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563995966 /nfs/dbraw/zinc/99/59/66/563995966.db2.gz YSKCVVDJLTYHON-RYUDHWBXSA-N 1 2 345.443 4.966 50 0 EJAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCCCC2)cc1 ZINC000000426485 563999061 /nfs/dbraw/zinc/99/90/61/563999061.db2.gz NSSWFEARTOOUHZ-UHFFFAOYSA-N 1 2 341.846 4.604 50 0 EJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCCCC2)c(C)c1 ZINC000000544597 564022626 /nfs/dbraw/zinc/02/26/26/564022626.db2.gz HJUMZAJGMPVWCW-UHFFFAOYSA-N 1 2 335.455 4.567 50 0 EJAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2csc(Nc3ccccc3)n2)on1 ZINC000048251686 564030439 /nfs/dbraw/zinc/03/04/39/564030439.db2.gz DCUYNJLMPBIEQO-MRXNPFEDSA-N 1 2 340.452 4.520 50 0 EJAALO Cc1cc([C@H]2CCC[N@H+]2Cc2csc(Nc3ccccc3)n2)on1 ZINC000048251686 564030440 /nfs/dbraw/zinc/03/04/40/564030440.db2.gz DCUYNJLMPBIEQO-MRXNPFEDSA-N 1 2 340.452 4.520 50 0 EJAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2csc(Nc3ccccc3)n2)on1 ZINC000048251684 564030460 /nfs/dbraw/zinc/03/04/60/564030460.db2.gz DCUYNJLMPBIEQO-INIZCTEOSA-N 1 2 340.452 4.520 50 0 EJAALO 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CC[C@H](C)[N@@H+](Cc1ccsc1)Cc1c(Cl)nc2sccn12 ZINC000055308119 214303571 /nfs/dbraw/zinc/30/35/71/214303571.db2.gz TXWCROCSESTBCB-NSHDSACASA-N 1 2 339.917 4.911 50 0 EJAALO c1ccc(C2=[NH+]N(c3ccccc3)[C@@]3(c4ccccc4)CC[C@H]3N2)cc1 ZINC000004671113 210243145 /nfs/dbraw/zinc/24/31/45/210243145.db2.gz GDZHOQWIHOHPDP-FYYLOGMGSA-N 1 2 339.442 4.516 50 0 EJAALO Cc1ccn2c(c1)[nH+]c(-c1cccs1)c2Nc1ccc2c(c1)OCO2 ZINC000003911500 210092420 /nfs/dbraw/zinc/09/24/20/210092420.db2.gz VMPIJXFEKMUSRU-UHFFFAOYSA-N 1 2 349.415 4.844 50 0 EJAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1c(Cl)cccc1Cl ZINC000003337648 210012098 /nfs/dbraw/zinc/01/20/98/210012098.db2.gz YBMBPTKPJOOHKZ-UHFFFAOYSA-N 1 2 348.233 4.544 50 0 EJAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2cccc(Br)c2)no1 ZINC000021720224 202069642 /nfs/dbraw/zinc/06/96/42/202069642.db2.gz BCNKANBLTSESOX-MRXNPFEDSA-N 1 2 349.272 4.898 50 0 EJAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2cccc(Br)c2)no1 ZINC000021720224 202069645 /nfs/dbraw/zinc/06/96/45/202069645.db2.gz 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Cc1ccc(C)c(N2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)c1 ZINC000055292417 132194779 /nfs/dbraw/zinc/19/47/79/132194779.db2.gz YSXZDJBOXFSNGJ-UHFFFAOYSA-N 1 2 349.305 4.932 50 0 EJAALO Cc1cccc2c3c(c(C)[nH+]c12)C[C@@H]([C@@](C)(Cl)Br)O3 ZINC000000435930 563312843 /nfs/dbraw/zinc/31/28/43/563312843.db2.gz LLWGIJULDDXRNP-SWLSCSKDSA-N 1 2 340.648 4.505 50 0 EJAALO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(Cl)cc1 ZINC000015301769 563781537 /nfs/dbraw/zinc/78/15/37/563781537.db2.gz RFPQTUXLYYGRRD-UHFFFAOYSA-N 1 2 348.233 4.675 50 0 EJAALO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(Cl)cc1 ZINC000015301769 563781539 /nfs/dbraw/zinc/78/15/39/563781539.db2.gz RFPQTUXLYYGRRD-UHFFFAOYSA-N 1 2 348.233 4.675 50 0 EJAALO c1coc(-c2nc(C[N@@H+]3CCc4sccc4[C@H]3C3CC3)cs2)c1 ZINC000032900937 563787225 /nfs/dbraw/zinc/78/72/25/563787225.db2.gz MAJKWZLTNQCBFF-QGZVFWFLSA-N 1 2 342.489 4.974 50 0 EJAALO c1coc(-c2nc(C[N@H+]3CCc4sccc4[C@H]3C3CC3)cs2)c1 ZINC000032900937 563787229 /nfs/dbraw/zinc/78/72/29/563787229.db2.gz 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ZTEZVCHVOITXGF-UHFFFAOYSA-N 1 2 335.451 4.820 50 0 EJAALO CCc1[nH]c2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2[nH+]1 ZINC000075465562 564085986 /nfs/dbraw/zinc/08/59/86/564085986.db2.gz ZTEZVCHVOITXGF-UHFFFAOYSA-N 1 2 335.451 4.820 50 0 EJAALO CCc1ccc(NC(=O)CCc2ccc3[nH+]c(C(C)C)[nH]c3c2)cc1 ZINC000075465735 564086062 /nfs/dbraw/zinc/08/60/62/564086062.db2.gz VBZALKDAUXJVDU-UHFFFAOYSA-N 1 2 335.451 4.820 50 0 EJAALO CCc1ccc(NC(=O)CCc2ccc3[nH]c(C(C)C)[nH+]c3c2)cc1 ZINC000075465735 564086063 /nfs/dbraw/zinc/08/60/63/564086063.db2.gz VBZALKDAUXJVDU-UHFFFAOYSA-N 1 2 335.451 4.820 50 0 EJAALO CCc1ccccc1NC(=O)CCc1ccc2[nH+]c(C(C)C)[nH]c2c1 ZINC000075478730 564086632 /nfs/dbraw/zinc/08/66/32/564086632.db2.gz ZZEYNVCKEDCQES-UHFFFAOYSA-N 1 2 335.451 4.820 50 0 EJAALO CCc1ccccc1NC(=O)CCc1ccc2[nH]c(C(C)C)[nH+]c2c1 ZINC000075478730 564086633 /nfs/dbraw/zinc/08/66/33/564086633.db2.gz ZZEYNVCKEDCQES-UHFFFAOYSA-N 1 2 335.451 4.820 50 0 EJAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1CCCc2ccccc21 ZINC000065022931 564099663 /nfs/dbraw/zinc/09/96/63/564099663.db2.gz WDARHPOFUYBMIL-OAQYLSRUSA-N 1 2 344.414 4.933 50 0 EJAALO Cc1nc(SCc2cn3cccc(C)c3[nH+]2)[nH]c1Cc1ccccc1 ZINC000036723717 564105460 /nfs/dbraw/zinc/10/54/60/564105460.db2.gz AXALFBIMBFDJLK-UHFFFAOYSA-N 1 2 348.475 4.557 50 0 EJAALO Cc1sc2nc(C)nc(Oc3ccc(-n4cc[nH+]c4)cc3)c2c1C ZINC000007725582 564122281 /nfs/dbraw/zinc/12/22/81/564122281.db2.gz MEONTJTYIDFCNR-UHFFFAOYSA-N 1 2 336.420 4.595 50 0 EJAALO c1c[nH+]c([C@@H](Nc2cccc(Oc3ccccc3)c2)c2cccnc2)[nH]1 ZINC000195112592 564122780 /nfs/dbraw/zinc/12/27/80/564122780.db2.gz KMHDEMMIXQRSHA-FQEVSTJZSA-N 1 2 342.402 4.799 50 0 EJAALO CC(C)c1nc2ccc(N[C@H](c3[nH]cc[nH+]3)c3cccnc3)cc2s1 ZINC000195107421 564122786 /nfs/dbraw/zinc/12/27/86/564122786.db2.gz MEZONYMEABUXDJ-KRWDZBQOSA-N 1 2 349.463 4.739 50 0 EJAALO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)c1nnc(-c2cccs2)o1 ZINC000007919228 564125249 /nfs/dbraw/zinc/12/52/49/564125249.db2.gz ZLESPCJLMTWWOW-GHMZBOCLSA-N 1 2 333.844 4.863 50 0 EJAALO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1nnc(-c2cccs2)o1 ZINC000007919219 564125252 /nfs/dbraw/zinc/12/52/52/564125252.db2.gz ZLESPCJLMTWWOW-QWRGUYRKSA-N 1 2 333.844 4.863 50 0 EJAALO Cc1cc(C)c(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)c(C)[nH+]1 ZINC000253392481 564130419 /nfs/dbraw/zinc/13/04/19/564130419.db2.gz CWVIRCFALJPBKM-OAHLLOKOSA-N 1 2 338.451 4.588 50 0 EJAALO CCn1c2ccccc2n(C[N@H+](C)Cc2cccc(Cl)c2)c1=S ZINC000013072093 564135983 /nfs/dbraw/zinc/13/59/83/564135983.db2.gz GZAQDKPQTHCYCJ-UHFFFAOYSA-N 1 2 345.899 4.935 50 0 EJAALO CCn1c2ccccc2n(C[N@@H+](C)Cc2cccc(Cl)c2)c1=S ZINC000013072093 564135984 /nfs/dbraw/zinc/13/59/84/564135984.db2.gz GZAQDKPQTHCYCJ-UHFFFAOYSA-N 1 2 345.899 4.935 50 0 EJAALO CC[C@H](NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)c1ccncc1 ZINC000078937496 564137408 /nfs/dbraw/zinc/13/74/08/564137408.db2.gz XVKJOQFHWFKRMP-IBGZPJMESA-N 1 2 348.406 4.542 50 0 EJAALO Clc1ccc(Cl)c2nc(N3CCC(n4cc[nH+]c4)CC3)ccc12 ZINC000095460614 564140784 /nfs/dbraw/zinc/14/07/84/564140784.db2.gz IHFIZHNXZKEAMD-UHFFFAOYSA-N 1 2 347.249 4.580 50 0 EJAALO Cc1cccn2cc(CNc3ccc(Cl)c(C(F)(F)F)c3)[nH+]c12 ZINC000007990780 564162010 /nfs/dbraw/zinc/16/20/10/564162010.db2.gz NVBGERMFFWRZCD-UHFFFAOYSA-N 1 2 339.748 4.927 50 0 EJAALO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 ZINC000069514817 564170016 /nfs/dbraw/zinc/17/00/16/564170016.db2.gz VSAZFLLOXDCXET-QWHCGFSZSA-N 1 2 327.815 4.802 50 0 EJAALO C[N@@H+]1/C(=C/C(=O)Nc2ccccc2Cl)c2ccccc2CC1(C)C ZINC000100706804 219104878 /nfs/dbraw/zinc/10/48/78/219104878.db2.gz BKODZKLRAMRNNE-LDADJPATSA-N 1 2 340.854 4.586 50 0 EJAALO C[N@H+]1/C(=C/C(=O)Nc2ccccc2Cl)c2ccccc2CC1(C)C ZINC000100706804 219104880 /nfs/dbraw/zinc/10/48/80/219104880.db2.gz BKODZKLRAMRNNE-LDADJPATSA-N 1 2 340.854 4.586 50 0 EJAALO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(F)(F)CC1 ZINC000067868459 215234095 /nfs/dbraw/zinc/23/40/95/215234095.db2.gz IADQHRLYTCJJPT-UHFFFAOYSA-N 1 2 326.774 4.535 50 0 EJAALO COc1ccc(-c2[nH+]ccn2[C@H](C)c2nccs2)c2ccccc12 ZINC000067946712 215255910 /nfs/dbraw/zinc/25/59/10/215255910.db2.gz SHLYMADLTITAAS-CYBMUJFWSA-N 1 2 335.432 4.778 50 0 EJAALO c1csc(C2N(Cc3ccccc3)CC[N@@H+]2Cc2ccccc2)c1 ZINC000019325006 202003741 /nfs/dbraw/zinc/00/37/41/202003741.db2.gz DDJYEIZZRVNZCH-UHFFFAOYSA-N 1 2 334.488 4.765 50 0 EJAALO c1csc(C2N(Cc3ccccc3)CC[N@H+]2Cc2ccccc2)c1 ZINC000019325006 202003744 /nfs/dbraw/zinc/00/37/44/202003744.db2.gz DDJYEIZZRVNZCH-UHFFFAOYSA-N 1 2 334.488 4.765 50 0 EJAALO CC[N@H+](Cc1ccc(Cl)s1)Cc1nc(-c2cccs2)no1 ZINC000039987551 213248643 /nfs/dbraw/zinc/24/86/43/213248643.db2.gz JBDPZCYEVUGSTH-UHFFFAOYSA-N 1 2 339.873 4.535 50 0 EJAALO CC[N@@H+](Cc1ccc(Cl)s1)Cc1nc(-c2cccs2)no1 ZINC000039987551 213248645 /nfs/dbraw/zinc/24/86/45/213248645.db2.gz JBDPZCYEVUGSTH-UHFFFAOYSA-N 1 2 339.873 4.535 50 0 EJAALO C[N@@H+]1/C(=C\C(=O)Nc2ccc(Cl)cc2)c2ccccc2CC1(C)C ZINC000032116883 202221625 /nfs/dbraw/zinc/22/16/25/202221625.db2.gz LDCABCUQAIBQFL-PDGQHHTCSA-N 1 2 340.854 4.586 50 0 biogenic,in-vitro EJAALO C[N@H+]1/C(=C\C(=O)Nc2ccc(Cl)cc2)c2ccccc2CC1(C)C ZINC000032116883 202221628 /nfs/dbraw/zinc/22/16/28/202221628.db2.gz LDCABCUQAIBQFL-PDGQHHTCSA-N 1 2 340.854 4.586 50 0 biogenic,in-vitro EJAALO Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(F)c(F)c3)co2)c(C)c1 ZINC000032760744 202233483 /nfs/dbraw/zinc/23/34/83/202233483.db2.gz VTTBONFJVZEZGK-UHFFFAOYSA-N 1 2 342.389 4.869 50 0 EJAALO Cc1ccc(-c2nc(C[N@H+](C)Cc3ccc(F)c(F)c3)co2)c(C)c1 ZINC000032760744 202233486 /nfs/dbraw/zinc/23/34/86/202233486.db2.gz VTTBONFJVZEZGK-UHFFFAOYSA-N 1 2 342.389 4.869 50 0 EJAALO Cc1ccc(-c2nnc(C[NH2+][C@H](C)c3ccccc3Cl)o2)cc1 ZINC000025919705 212500728 /nfs/dbraw/zinc/50/07/28/212500728.db2.gz NTDCWOHTXKCWQU-CYBMUJFWSA-N 1 2 327.815 4.549 50 0 EJAALO C[C@H]1c2ccsc2CC[N@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000022056259 212274218 /nfs/dbraw/zinc/27/42/18/212274218.db2.gz PJMCBJLFDALUCB-LBPRGKRZSA-N 1 2 328.412 4.662 50 0 EJAALO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000022056259 212274221 /nfs/dbraw/zinc/27/42/21/212274221.db2.gz PJMCBJLFDALUCB-LBPRGKRZSA-N 1 2 328.412 4.662 50 0 EJAALO Cc1cccn2cc(-c3cccc(NC(=O)c4ccccc4F)c3)[nH+]c12 ZINC000000472496 201478033 /nfs/dbraw/zinc/47/80/33/201478033.db2.gz BGOAGBGUGJNTLR-UHFFFAOYSA-N 1 2 345.377 4.701 50 0 EJAALO CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)on2)cc1OC ZINC000225735088 242010821 /nfs/dbraw/zinc/01/08/21/242010821.db2.gz KKXLUBLJXBRZLL-CABCVRRESA-N 1 2 332.444 4.582 50 0 EJAALO Cc1[nH+]c([C@@H](C)Nc2ccc(SCc3ccccc3)cn2)cn1C ZINC000241810052 243002993 /nfs/dbraw/zinc/00/29/93/243002993.db2.gz SCSJJKSGFXLQPB-CQSZACIVSA-N 1 2 338.480 4.589 50 0 EJAALO Cc1sc2c(c1C)C[N@H+](C(C)(C)C)CN2C(=O)c1ccccc1 ZINC000020193330 212110326 /nfs/dbraw/zinc/11/03/26/212110326.db2.gz SXYXUQICKPCZID-UHFFFAOYSA-N 1 2 328.481 4.583 50 0 EJAALO Cc1sc2c(c1C)C[N@@H+](C(C)(C)C)CN2C(=O)c1ccccc1 ZINC000020193330 212110328 /nfs/dbraw/zinc/11/03/28/212110328.db2.gz SXYXUQICKPCZID-UHFFFAOYSA-N 1 2 328.481 4.583 50 0 EJAALO CCCCc1[nH]c(CN2CCC[C@@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000077318847 203379794 /nfs/dbraw/zinc/37/97/94/203379794.db2.gz ZKGCEVKCDLQJMU-MRXNPFEDSA-N 1 2 340.496 4.699 50 0 EJAALO CCCCc1[nH]cc(CN2CCC[C@@H]2c2nc3ccccc3s2)[nH+]1 ZINC000077318847 203379798 /nfs/dbraw/zinc/37/97/98/203379798.db2.gz ZKGCEVKCDLQJMU-MRXNPFEDSA-N 1 2 340.496 4.699 50 0 EJAALO Cc1ccc(C2N(Cc3ccccc3)CCC[N@@H+]2Cc2ccccc2)o1 ZINC000019319736 212015229 /nfs/dbraw/zinc/01/52/29/212015229.db2.gz INIMHGQNVUTFGS-UHFFFAOYSA-N 1 2 346.474 4.995 50 0 EJAALO Cc1ccc(C2N(Cc3ccccc3)CCC[N@H+]2Cc2ccccc2)o1 ZINC000019319736 212015232 /nfs/dbraw/zinc/01/52/32/212015232.db2.gz INIMHGQNVUTFGS-UHFFFAOYSA-N 1 2 346.474 4.995 50 0 EJAALO C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc([NH2+]C2CCCCC2)cc1 ZINC000078594339 217082124 /nfs/dbraw/zinc/08/21/24/217082124.db2.gz JNIHYTYQYMJROE-IAGOWNOFSA-N 1 2 344.499 4.600 50 0 EJAALO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000012303910 211338953 /nfs/dbraw/zinc/33/89/53/211338953.db2.gz QAIOYSVAMAGJPX-CQSZACIVSA-N 1 2 331.466 4.505 50 0 EJAALO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000012303910 211338955 /nfs/dbraw/zinc/33/89/55/211338955.db2.gz QAIOYSVAMAGJPX-CQSZACIVSA-N 1 2 331.466 4.505 50 0 EJAALO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000010311213 211163275 /nfs/dbraw/zinc/16/32/75/211163275.db2.gz OJPAJXXYEDPOSB-INIZCTEOSA-N 1 2 349.261 4.769 50 0 EJAALO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000010311213 211163278 /nfs/dbraw/zinc/16/32/78/211163278.db2.gz OJPAJXXYEDPOSB-INIZCTEOSA-N 1 2 349.261 4.769 50 0 EJAALO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000010311202 211163027 /nfs/dbraw/zinc/16/30/27/211163027.db2.gz IKENZHSJKJBYQZ-KRWDZBQOSA-N 1 2 349.261 4.769 50 0 EJAALO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000010311202 211163031 /nfs/dbraw/zinc/16/30/31/211163031.db2.gz IKENZHSJKJBYQZ-KRWDZBQOSA-N 1 2 349.261 4.769 50 0 EJAALO Cc1ccccc1N1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000055543989 132195957 /nfs/dbraw/zinc/19/59/57/132195957.db2.gz YGCZJAFVNVFPFR-UHFFFAOYSA-N 1 2 335.278 4.624 50 0 EJAALO Cc1cnc(C[NH2+][C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)o1 ZINC000390833008 526042164 /nfs/dbraw/zinc/04/21/64/526042164.db2.gz ANRJXCVGZBGFJH-OAHLLOKOSA-N 1 2 344.764 4.896 50 0 EJAALO CC(C)c1cc([C@H]2CCCN2Cc2c[nH+]cn2C2CCCCC2)no1 ZINC000244584337 535370171 /nfs/dbraw/zinc/37/01/71/535370171.db2.gz CXMFVFXMQKAYMR-LJQANCHMSA-N 1 2 342.487 4.837 50 0 EJAALO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(Br)s2)cc1 ZINC000015837335 564076507 /nfs/dbraw/zinc/07/65/07/564076507.db2.gz VGIDDZCETXDTGM-AWEZNQCLSA-N 1 2 340.261 4.987 50 0 EJAALO Fc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(Br)s2)cc1 ZINC000015837335 564076508 /nfs/dbraw/zinc/07/65/08/564076508.db2.gz VGIDDZCETXDTGM-AWEZNQCLSA-N 1 2 340.261 4.987 50 0 EJAALO CCOC(=O)c1c[nH+]c2c(CC)cccc2c1NCCc1ccccc1 ZINC000000131531 563238831 /nfs/dbraw/zinc/23/88/31/563238831.db2.gz DIOQNHMOQGKLMN-UHFFFAOYSA-N 1 2 348.446 4.629 50 0 EJAALO CCN(CC)c1cc(C)c2cc(NC(=O)C3CCCCC3)ccc2[nH+]1 ZINC000000213124 563261152 /nfs/dbraw/zinc/26/11/52/563261152.db2.gz IEUMJTYKJHEXLH-UHFFFAOYSA-N 1 2 339.483 4.908 50 0 EJAALO CC[C@@H](C)c1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000014247882 563755005 /nfs/dbraw/zinc/75/50/05/563755005.db2.gz ZWORIVPMEZERPI-OAHLLOKOSA-N 1 2 344.886 4.924 50 0 EJAALO CC[C@@H](C)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000014247882 563755007 /nfs/dbraw/zinc/75/50/07/563755007.db2.gz ZWORIVPMEZERPI-OAHLLOKOSA-N 1 2 344.886 4.924 50 0 EJAALO CCCCNc1[nH+]c2ccccc2n1Cc1cc(-c2ccco2)on1 ZINC000015552286 563786841 /nfs/dbraw/zinc/78/68/41/563786841.db2.gz MDHKDNITRFZJJK-UHFFFAOYSA-N 1 2 336.395 4.545 50 0 EJAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CCCc2ccccc21 ZINC000070005517 563894344 /nfs/dbraw/zinc/89/43/44/563894344.db2.gz WDARHPOFUYBMIL-NRFANRHFSA-N 1 2 344.414 4.933 50 0 EJAALO COc1cccc(-c2cn3cc(-c4cccc(Cl)c4)[nH+]c3n2C)c1 ZINC000027117771 563894877 /nfs/dbraw/zinc/89/48/77/563894877.db2.gz 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564000618 /nfs/dbraw/zinc/00/06/18/564000618.db2.gz ZWKICZLEFZIGTB-UHFFFAOYSA-N 1 2 329.403 4.527 50 0 EJAALO CCc1[nH+]c(-c2ccc(OC)c(C)c2)cc2cc(OC)c(OC)cc21 ZINC000000485555 564017007 /nfs/dbraw/zinc/01/70/07/564017007.db2.gz IWBGSZKROQWPJQ-UHFFFAOYSA-N 1 2 337.419 4.798 50 0 biogenic EJAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccsc3)n2)on1 ZINC000048249222 564030204 /nfs/dbraw/zinc/03/02/04/564030204.db2.gz GSQSLKQVNIJITM-AWEZNQCLSA-N 1 2 331.466 4.505 50 0 EJAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccsc3)n2)on1 ZINC000048249222 564030205 /nfs/dbraw/zinc/03/02/05/564030205.db2.gz GSQSLKQVNIJITM-AWEZNQCLSA-N 1 2 331.466 4.505 50 0 EJAALO Cc1csc(C2([NH2+]Cc3csc(-c4ccoc4)n3)CCCC2)n1 ZINC000083225678 564062733 /nfs/dbraw/zinc/06/27/33/564062733.db2.gz RCNBRKDIFWMMMD-UHFFFAOYSA-N 1 2 345.493 4.727 50 0 EJAALO CN(C)c1ccc(Nc2c(-c3cccs3)[nH+]c3ccccn32)cc1 ZINC000001414415 564065925 /nfs/dbraw/zinc/06/59/25/564065925.db2.gz LGOGPLFRZIRXQS-UHFFFAOYSA-N 1 2 334.448 4.872 50 0 EJAALO CC[C@H](C(=O)Nc1ccc(-c2c[nH+]c3n2CCC3)cc1)c1ccccc1 ZINC000085471589 564073437 /nfs/dbraw/zinc/07/34/37/564073437.db2.gz TZTFBQZHBJTCCN-IBGZPJMESA-N 1 2 345.446 4.629 50 0 EJAALO CC[C@@H](C(=O)Nc1cccc(-c2c[nH+]c3n2CCC3)c1)c1ccccc1 ZINC000085471567 564073459 /nfs/dbraw/zinc/07/34/59/564073459.db2.gz URTJCVJWCYDCMB-LJQANCHMSA-N 1 2 345.446 4.629 50 0 EJAALO CCCc1[nH]c2ccc(CCC(=O)Nc3ccc(C)cc3C)cc2[nH+]1 ZINC000075478711 564086615 /nfs/dbraw/zinc/08/66/15/564086615.db2.gz OWAQIBZXGOWGDW-UHFFFAOYSA-N 1 2 335.451 4.704 50 0 EJAALO CCCc1[nH]c2cc(CCC(=O)Nc3ccc(C)cc3C)ccc2[nH+]1 ZINC000075478711 564086616 /nfs/dbraw/zinc/08/66/16/564086616.db2.gz OWAQIBZXGOWGDW-UHFFFAOYSA-N 1 2 335.451 4.704 50 0 EJAALO CC[C@@H](C)c1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000241693950 564088404 /nfs/dbraw/zinc/08/84/04/564088404.db2.gz QJBOLBSXTIZPLP-HUUCEWRRSA-N 1 2 342.508 4.819 50 0 EJAALO CC[C@@H](C)c1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000241693950 564088405 /nfs/dbraw/zinc/08/84/05/564088405.db2.gz QJBOLBSXTIZPLP-HUUCEWRRSA-N 1 2 342.508 4.819 50 0 EJAALO COc1ccc2cc(C[N@@H+]3CCc4sccc4C3)c(Cl)nc2c1 ZINC000025309976 564092335 /nfs/dbraw/zinc/09/23/35/564092335.db2.gz NRKSTMJPFCBQIC-UHFFFAOYSA-N 1 2 344.867 4.517 50 0 EJAALO COc1ccc2cc(C[N@H+]3CCc4sccc4C3)c(Cl)nc2c1 ZINC000025309976 564092336 /nfs/dbraw/zinc/09/23/36/564092336.db2.gz NRKSTMJPFCBQIC-UHFFFAOYSA-N 1 2 344.867 4.517 50 0 EJAALO Cc1ccc(NC(=S)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)cc1 ZINC000006653619 564095451 /nfs/dbraw/zinc/09/54/51/564095451.db2.gz QJGOPBVLSPVUSZ-UHFFFAOYSA-N 1 2 338.480 4.978 50 0 EJAALO CC[C@H](C)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2F)cc1 ZINC000006872970 564100264 /nfs/dbraw/zinc/10/02/64/564100264.db2.gz BZMUUPYJEWJFRW-JKSUJKDBSA-N 1 2 342.458 4.798 50 0 EJAALO CC[C@H](C)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2F)cc1 ZINC000006872970 564100265 /nfs/dbraw/zinc/10/02/65/564100265.db2.gz BZMUUPYJEWJFRW-JKSUJKDBSA-N 1 2 342.458 4.798 50 0 EJAALO CO[C@H](C)c1nc(COc2c(C)c(C)[nH+]c3ccc(F)cc32)cs1 ZINC000170598284 564109213 /nfs/dbraw/zinc/10/92/13/564109213.db2.gz SRLFTJVECPNMHK-GFCCVEGCSA-N 1 2 346.427 4.734 50 0 EJAALO COc1ccc(C[N@H+](C)Cc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000007682603 564121873 /nfs/dbraw/zinc/12/18/73/564121873.db2.gz SNDUTGAOKBOEOA-UHFFFAOYSA-N 1 2 342.826 4.636 50 0 EJAALO COc1ccc(C[N@@H+](C)Cc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000007682603 564121874 /nfs/dbraw/zinc/12/18/74/564121874.db2.gz SNDUTGAOKBOEOA-UHFFFAOYSA-N 1 2 342.826 4.636 50 0 EJAALO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1nnc(-c2cccs2)o1 ZINC000007919226 564125257 /nfs/dbraw/zinc/12/52/57/564125257.db2.gz ZLESPCJLMTWWOW-WDEREUQCSA-N 1 2 333.844 4.863 50 0 EJAALO CN(C)c1ccc(Nc2ncnc3scc(-c4ccccc4)c32)c[nH+]1 ZINC000012979885 564135800 /nfs/dbraw/zinc/13/58/00/564135800.db2.gz PSXTUIZOAJFSBH-UHFFFAOYSA-N 1 2 347.447 4.563 50 0 EJAALO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 ZINC000079029694 564137666 /nfs/dbraw/zinc/13/76/66/564137666.db2.gz YTXZRSFELDYRJF-STQMWFEESA-N 1 2 341.386 4.721 50 0 EJAALO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)s1 ZINC000095969009 564143319 /nfs/dbraw/zinc/14/33/19/564143319.db2.gz VULRKBJRUJEOHP-NXEZZACHSA-N 1 2 330.375 4.604 50 0 EJAALO COC[C@@](C)([NH2+]Cc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000095985806 564143920 /nfs/dbraw/zinc/14/39/20/564143920.db2.gz AVWBGKKSLINIIQ-GOSISDBHSA-N 1 2 344.505 4.523 50 0 EJAALO S=c1oc2ccc(Cl)cc2n1C[N@@H+]1CCc2ccccc2C1 ZINC000003258483 564156698 /nfs/dbraw/zinc/15/66/98/564156698.db2.gz MLNFHWXGNJTBRZ-UHFFFAOYSA-N 1 2 330.840 4.633 50 0 EJAALO S=c1oc2ccc(Cl)cc2n1C[N@H+]1CCc2ccccc2C1 ZINC000003258483 564156699 /nfs/dbraw/zinc/15/66/99/564156699.db2.gz MLNFHWXGNJTBRZ-UHFFFAOYSA-N 1 2 330.840 4.633 50 0 EJAALO Clc1cccc(-n2ncc3c2nc[nH+]c3NC2CCCCCC2)c1 ZINC000008583075 564165824 /nfs/dbraw/zinc/16/58/24/564165824.db2.gz VGUMJPMMFUXSEX-UHFFFAOYSA-N 1 2 341.846 4.604 50 0 EJAALO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(Nc3ccc(C)cc3)c12 ZINC000009970664 564174931 /nfs/dbraw/zinc/17/49/31/564174931.db2.gz NVBNCCHAUWZCEP-UHFFFAOYSA-N 1 2 332.407 4.741 50 0 EJAALO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803625 214146972 /nfs/dbraw/zinc/14/69/72/214146972.db2.gz BBCTWGHZQXJGKP-MLGOLLRUSA-N 1 2 334.872 4.566 50 0 EJAALO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803625 214146975 /nfs/dbraw/zinc/14/69/75/214146975.db2.gz BBCTWGHZQXJGKP-MLGOLLRUSA-N 1 2 334.872 4.566 50 0 EJAALO Cn1c(-c2ccc(F)cc2)cn2cc(-c3cccc(Cl)c3)[nH+]c12 ZINC000004678321 210245224 /nfs/dbraw/zinc/24/52/24/210245224.db2.gz VKPRWSAZUNFTCL-UHFFFAOYSA-N 1 2 325.774 4.799 50 0 EJAALO Cc1ccc2[nH+]c(-c3ccsc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000003911524 210092552 /nfs/dbraw/zinc/09/25/52/210092552.db2.gz QTFPSDGASCGECL-UHFFFAOYSA-N 1 2 349.415 4.844 50 0 EJAALO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000024976560 202124290 /nfs/dbraw/zinc/12/42/90/202124290.db2.gz DZOPFFXKTSJNPC-CYBMUJFWSA-N 1 2 327.378 4.551 50 0 EJAALO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCc2ccccc2C1 ZINC000024976560 202124293 /nfs/dbraw/zinc/12/42/93/202124293.db2.gz DZOPFFXKTSJNPC-CYBMUJFWSA-N 1 2 327.378 4.551 50 0 EJAALO Clc1ccc(CSc2[nH+]cc3ccccn32)c2ncccc12 ZINC000031651931 202207852 /nfs/dbraw/zinc/20/78/52/202207852.db2.gz VUWAFYGTMGBFEB-UHFFFAOYSA-N 1 2 325.824 4.828 50 0 EJAALO COc1cc(-c2[nH+]c3cc(C)ccn3c2Nc2ccccc2)ccc1O ZINC000035606596 213041014 /nfs/dbraw/zinc/04/10/14/213041014.db2.gz ZHFYTJHDCVAZKY-UHFFFAOYSA-N 1 2 345.402 4.768 50 0 EJAALO CCc1cc2c(ncnc2NCCC[N@@H+](CC)c2ccccc2)s1 ZINC000033078200 202249750 /nfs/dbraw/zinc/24/97/50/202249750.db2.gz IABBHVNXSANCHD-UHFFFAOYSA-N 1 2 340.496 4.582 50 0 EJAALO CCc1cc2c(ncnc2NCCC[N@H+](CC)c2ccccc2)s1 ZINC000033078200 202249754 /nfs/dbraw/zinc/24/97/54/202249754.db2.gz IABBHVNXSANCHD-UHFFFAOYSA-N 1 2 340.496 4.582 50 0 EJAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(C)c3)ccc2[nH+]1 ZINC000033084679 202249842 /nfs/dbraw/zinc/24/98/42/202249842.db2.gz LNDIBFKRMKVHNF-UHFFFAOYSA-N 1 2 347.462 4.950 50 0 EJAALO CCN(CC)c1cc(C)c2cc(NC(=O)CC3CCCC3)ccc2[nH+]1 ZINC000033084687 202250105 /nfs/dbraw/zinc/25/01/05/202250105.db2.gz DBICZEOTQCLVOF-UHFFFAOYSA-N 1 2 339.483 4.908 50 0 EJAALO O=C(Nc1cccc2ccccc21)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000072155900 216045566 /nfs/dbraw/zinc/04/55/66/216045566.db2.gz OTGGQDLEVMTVPU-SFHVURJKSA-N 1 2 348.450 4.513 50 0 EJAALO c1ccc(CC[N@@H+]2CS[C@H](COc3cccc4ccccc43)C2)cc1 ZINC000033766630 202268901 /nfs/dbraw/zinc/26/89/01/202268901.db2.gz JQNXEZCVGKLDAA-FQEVSTJZSA-N 1 2 349.499 4.836 50 0 EJAALO c1ccc(CC[N@H+]2CS[C@H](COc3cccc4ccccc43)C2)cc1 ZINC000033766630 202268903 /nfs/dbraw/zinc/26/89/03/202268903.db2.gz JQNXEZCVGKLDAA-FQEVSTJZSA-N 1 2 349.499 4.836 50 0 EJAALO COc1ccccc1Nc1c(-c2ccc(O)cc2)[nH+]c2cccc(C)n21 ZINC000035616194 202307105 /nfs/dbraw/zinc/30/71/05/202307105.db2.gz UYTGWUUUJWIUOY-UHFFFAOYSA-N 1 2 345.402 4.768 50 0 EJAALO CSc1ccc2[nH+]c(NCc3ccc4c(c3)OCO4)cc(C)c2c1 ZINC000023550126 212383072 /nfs/dbraw/zinc/38/30/72/212383072.db2.gz MUMWGWDGDGORCM-UHFFFAOYSA-N 1 2 338.432 4.606 50 0 EJAALO Cc1cc(NCc2ccc3c(c2)OCO3)[nH+]c2cc(Cl)ccc12 ZINC000023634150 212386280 /nfs/dbraw/zinc/38/62/80/212386280.db2.gz MTDSWVKGTIVQIE-UHFFFAOYSA-N 1 2 326.783 4.537 50 0 EJAALO Fc1ccc([C@@H]2CC[N@@H+]2Cc2cnc(C3CCCCC3)nc2)cc1 ZINC000216272624 241176899 /nfs/dbraw/zinc/17/68/99/241176899.db2.gz JTKKEJFZZGYFCN-IBGZPJMESA-N 1 2 325.431 4.610 50 0 EJAALO Fc1ccc([C@@H]2CC[N@H+]2Cc2cnc(C3CCCCC3)nc2)cc1 ZINC000216272624 241176907 /nfs/dbraw/zinc/17/69/07/241176907.db2.gz JTKKEJFZZGYFCN-IBGZPJMESA-N 1 2 325.431 4.610 50 0 EJAALO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H]1c1cc(C(C)C)on1 ZINC000021720518 212244828 /nfs/dbraw/zinc/24/48/28/212244828.db2.gz STZWOJDEGZSKRU-SFHVURJKSA-N 1 2 328.456 4.922 50 0 EJAALO CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]1c1cc(C(C)C)on1 ZINC000021720518 212244833 /nfs/dbraw/zinc/24/48/33/212244833.db2.gz STZWOJDEGZSKRU-SFHVURJKSA-N 1 2 328.456 4.922 50 0 EJAALO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1OC ZINC000021720589 212244841 /nfs/dbraw/zinc/24/48/41/212244841.db2.gz ROXQTKBPTSWHDB-KRWDZBQOSA-N 1 2 344.455 4.542 50 0 EJAALO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1OC ZINC000021720589 212244844 /nfs/dbraw/zinc/24/48/44/212244844.db2.gz ROXQTKBPTSWHDB-KRWDZBQOSA-N 1 2 344.455 4.542 50 0 EJAALO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000021720516 212244718 /nfs/dbraw/zinc/24/47/18/212244718.db2.gz STZWOJDEGZSKRU-GOSISDBHSA-N 1 2 328.456 4.922 50 0 EJAALO CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000021720516 212244722 /nfs/dbraw/zinc/24/47/22/212244722.db2.gz STZWOJDEGZSKRU-GOSISDBHSA-N 1 2 328.456 4.922 50 0 EJAALO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720368 212244210 /nfs/dbraw/zinc/24/42/10/212244210.db2.gz CWPJBBMHIODWJT-LJQANCHMSA-N 1 2 328.456 4.924 50 0 EJAALO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720368 212244213 /nfs/dbraw/zinc/24/42/13/212244213.db2.gz CWPJBBMHIODWJT-LJQANCHMSA-N 1 2 328.456 4.924 50 0 EJAALO CC[C@@](C)([NH2+]Cc1ncc(-c2cccs2)o1)c1nc(C)cs1 ZINC000072305287 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/nfs/dbraw/zinc/03/22/04/219032204.db2.gz RJCVDPFGFOBSCX-SFHVURJKSA-N 1 2 341.842 4.912 50 0 EJAALO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccc3cccc(Cl)c3n2)no1 ZINC000097522057 219032207 /nfs/dbraw/zinc/03/22/07/219032207.db2.gz RJCVDPFGFOBSCX-SFHVURJKSA-N 1 2 341.842 4.912 50 0 EJAALO Cc1ccccc1N1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000055543359 132195554 /nfs/dbraw/zinc/19/55/54/132195554.db2.gz IBPXEAGWYVBHJI-UHFFFAOYSA-N 1 2 335.278 4.624 50 0 EJAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3ccco3)cc12 ZINC000021365301 135724140 /nfs/dbraw/zinc/72/41/40/135724140.db2.gz SVYNTOMKBWHBDS-UHFFFAOYSA-N 1 2 349.434 4.625 50 0 EJAALO c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3[nH+]2)cc1 ZINC000000039389 563212676 /nfs/dbraw/zinc/21/26/76/563212676.db2.gz QAIMUUJJAJBPCL-UHFFFAOYSA-N 1 2 340.430 4.854 50 0 in-vitro EJAALO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl ZINC000032800290 563744121 /nfs/dbraw/zinc/74/41/21/563744121.db2.gz WTYXWFRPEVGRCP-LLVKDONJSA-N 1 2 348.233 4.894 50 0 EJAALO C[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(Cl)c(Cl)c1 ZINC000032809767 563751945 /nfs/dbraw/zinc/75/19/45/563751945.db2.gz NCCLNCLZDSSNHC-UHFFFAOYSA-N 1 2 327.255 4.911 50 0 EJAALO C[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc(Cl)c(Cl)c1 ZINC000032809767 563751948 /nfs/dbraw/zinc/75/19/48/563751948.db2.gz NCCLNCLZDSSNHC-UHFFFAOYSA-N 1 2 327.255 4.911 50 0 EJAALO c1cn(CCCNc2cc(-c3ccccc3)c3ccccc3n2)c[nH+]1 ZINC000025561239 563885981 /nfs/dbraw/zinc/88/59/81/563885981.db2.gz GEGHRLOBUMHTAW-UHFFFAOYSA-N 1 2 328.419 4.601 50 0 EJAALO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000030005526 563909197 /nfs/dbraw/zinc/90/91/97/563909197.db2.gz PUDNZQAUXMRESW-CQSZACIVSA-N 1 2 333.391 4.676 50 0 EJAALO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000030005526 563909199 /nfs/dbraw/zinc/90/91/99/563909199.db2.gz PUDNZQAUXMRESW-CQSZACIVSA-N 1 2 333.391 4.676 50 0 EJAALO CCCCC(=O)Nc1ccc(CCc2[nH]c3ccc(C)cc3[nH+]2)cc1 ZINC000032960988 563916782 /nfs/dbraw/zinc/91/67/82/563916782.db2.gz YZBMHNNIMKDNCX-UHFFFAOYSA-N 1 2 335.451 4.785 50 0 EJAALO CCCCC(=O)Nc1ccc(CCc2[nH]c3cc(C)ccc3[nH+]2)cc1 ZINC000032960988 563916783 /nfs/dbraw/zinc/91/67/83/563916783.db2.gz YZBMHNNIMKDNCX-UHFFFAOYSA-N 1 2 335.451 4.785 50 0 EJAALO COc1ccc(CCNc2cc(C)c3ccc(Cl)cc3[nH+]2)cc1 ZINC000023634856 563919430 /nfs/dbraw/zinc/91/94/30/563919430.db2.gz XZBRKUDPDVIFFX-UHFFFAOYSA-N 1 2 326.827 4.860 50 0 EJAALO CSCCc1c(-c2ccccc2)[nH+]cn1[C@@H](C)c1csc(C)n1 ZINC000065373140 563958686 /nfs/dbraw/zinc/95/86/86/563958686.db2.gz ANPMBJVQVHMJTM-ZDUSSCGKSA-N 1 2 343.521 4.830 50 0 EJAALO COc1cccc(-c2cn3cc(-c4ccc(Cl)cc4)n(C)c3[nH+]2)c1 ZINC000004678582 563963872 /nfs/dbraw/zinc/96/38/72/563963872.db2.gz BJUHUOAJEOYFJF-UHFFFAOYSA-N 1 2 337.810 4.669 50 0 EJAALO Cc1cccn2cc(-c3cccc(NC(=O)c4cccs4)c3)[nH+]c12 ZINC000000203135 563988407 /nfs/dbraw/zinc/98/84/07/563988407.db2.gz SSGPYQJUVFWFOY-UHFFFAOYSA-N 1 2 333.416 4.624 50 0 EJAALO Fc1ccccc1[C@H]1C[C@H](c2cccnc2)Nc2[nH+]c3ccccc3n21 ZINC000000223063 563988886 /nfs/dbraw/zinc/98/88/86/563988886.db2.gz APJCEEGVZKLZAQ-UYAOXDASSA-N 1 2 344.393 4.717 50 0 EJAALO CC(C)Cc1ccc([C@H](C)C2=[NH+]CCc3cc4c(cc32)OCO4)cc1 ZINC000005284671 564005896 /nfs/dbraw/zinc/00/58/96/564005896.db2.gz SHPCVIPQFZWPKG-HNNXBMFYSA-N 1 2 335.447 4.763 50 0 EJAALO CCOc1ccc(-c2cc3cc(OC)c(OC)cc3c(CC)[nH+]2)cc1 ZINC000000485541 564017021 /nfs/dbraw/zinc/01/70/21/564017021.db2.gz GAAZOWIJAFCRHD-UHFFFAOYSA-N 1 2 337.419 4.880 50 0 biogenic EJAALO COc1ccc(-n2c[nH+]c3cc(NCc4cccs4)ccc32)cc1 ZINC000000536333 564022161 /nfs/dbraw/zinc/02/21/61/564022161.db2.gz TVVQLBGZRZUAEN-UHFFFAOYSA-N 1 2 335.432 4.708 50 0 EJAALO CC(C)c1nc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cs1 ZINC000046054328 564029366 /nfs/dbraw/zinc/02/93/66/564029366.db2.gz YFFYVBCGIIILDZ-OAHLLOKOSA-N 1 2 336.526 4.509 50 0 EJAALO CC(C)c1nc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cs1 ZINC000046054328 564029367 /nfs/dbraw/zinc/02/93/67/564029367.db2.gz YFFYVBCGIIILDZ-OAHLLOKOSA-N 1 2 336.526 4.509 50 0 EJAALO FC(F)n1c(C[N@@H+]2CCC[C@H]2c2ccsc2)nc2ccccc21 ZINC000046088238 564029514 /nfs/dbraw/zinc/02/95/14/564029514.db2.gz ORDQGPVMDMQVCK-AWEZNQCLSA-N 1 2 333.407 4.830 50 0 EJAALO FC(F)n1c(C[N@H+]2CCC[C@H]2c2ccsc2)nc2ccccc21 ZINC000046088238 564029515 /nfs/dbraw/zinc/02/95/15/564029515.db2.gz ORDQGPVMDMQVCK-AWEZNQCLSA-N 1 2 333.407 4.830 50 0 EJAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2coc(-c3cccc(Cl)c3)n2)on1 ZINC000048264563 564030417 /nfs/dbraw/zinc/03/04/17/564030417.db2.gz YAKJHVAORAYFMD-MRXNPFEDSA-N 1 2 343.814 4.629 50 0 EJAALO Cc1cc([C@H]2CCC[N@H+]2Cc2coc(-c3cccc(Cl)c3)n2)on1 ZINC000048264563 564030418 /nfs/dbraw/zinc/03/04/18/564030418.db2.gz YAKJHVAORAYFMD-MRXNPFEDSA-N 1 2 343.814 4.629 50 0 EJAALO Cc1c(-c2ccc(NC(=O)C(C)(C)C)cc2)[nH+]c2ccc(Cl)cn12 ZINC000012540750 564058662 /nfs/dbraw/zinc/05/86/62/564058662.db2.gz FZSHHMWKKMYSOT-UHFFFAOYSA-N 1 2 341.842 4.948 50 0 EJAALO Cc1cccc2[nH+]c(-c3ccsc3)c(Nc3ccc4c(c3)OCO4)n21 ZINC000003911534 564060355 /nfs/dbraw/zinc/06/03/55/564060355.db2.gz ADKGRECJYYMOPY-UHFFFAOYSA-N 1 2 349.415 4.844 50 0 EJAALO Fc1ccc(C[N@H+](Cc2csc(-c3ccco3)n2)C2CC2)cc1 ZINC000012767229 564068130 /nfs/dbraw/zinc/06/81/30/564068130.db2.gz DXXKEIYIMDKEDB-UHFFFAOYSA-N 1 2 328.412 4.707 50 0 EJAALO Fc1ccc(C[N@@H+](Cc2csc(-c3ccco3)n2)C2CC2)cc1 ZINC000012767229 564068131 /nfs/dbraw/zinc/06/81/31/564068131.db2.gz DXXKEIYIMDKEDB-UHFFFAOYSA-N 1 2 328.412 4.707 50 0 EJAALO C[C@H](c1ccc2ccccc2c1)[N@H+](Cc1ncc(Cl)n1C)C1CC1 ZINC000084651807 564069385 /nfs/dbraw/zinc/06/93/85/564069385.db2.gz YJAWTYOLPAUZHM-CQSZACIVSA-N 1 2 339.870 4.952 50 0 EJAALO C[C@H](c1ccc2ccccc2c1)[N@@H+](Cc1ncc(Cl)n1C)C1CC1 ZINC000084651807 564069386 /nfs/dbraw/zinc/06/93/86/564069386.db2.gz YJAWTYOLPAUZHM-CQSZACIVSA-N 1 2 339.870 4.952 50 0 EJAALO Cc1cc(C[NH2+][C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)on1 ZINC000184949922 564070775 /nfs/dbraw/zinc/07/07/75/564070775.db2.gz IJESCCQRVNGLED-LLVKDONJSA-N 1 2 347.871 4.919 50 0 EJAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)C1CCCCC1 ZINC000015863626 564077078 /nfs/dbraw/zinc/07/70/78/564077078.db2.gz AGMXPALQQYKLQQ-UHFFFAOYSA-N 1 2 347.462 4.867 50 0 EJAALO CCC(CC)C(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000015863628 564077087 /nfs/dbraw/zinc/07/70/87/564077087.db2.gz LZSMUUDQAMVNPW-UHFFFAOYSA-N 1 2 335.451 4.723 50 0 EJAALO O=C(Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000015863745 564077114 /nfs/dbraw/zinc/07/71/14/564077114.db2.gz NDAHMQQQQQCYJS-UHFFFAOYSA-N 1 2 341.414 4.600 50 0 EJAALO Cc1nc(NCc2ccco2)c(Cc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000007996573 564077357 /nfs/dbraw/zinc/07/73/57/564077357.db2.gz ZBUCHZJQUWPDGP-UHFFFAOYSA-N 1 2 327.815 4.543 50 0 EJAALO CC(C)c1[nH]c2cc(CCC(=O)Nc3cc(F)ccc3F)ccc2[nH+]1 ZINC000075478749 564086579 /nfs/dbraw/zinc/08/65/79/564086579.db2.gz JBHDCOQJXCFEOB-UHFFFAOYSA-N 1 2 343.377 4.536 50 0 EJAALO CC(C)c1[nH]c2ccc(CCC(=O)Nc3cc(F)ccc3F)cc2[nH+]1 ZINC000075478749 564086580 /nfs/dbraw/zinc/08/65/80/564086580.db2.gz JBHDCOQJXCFEOB-UHFFFAOYSA-N 1 2 343.377 4.536 50 0 EJAALO c1c(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3s2)nc2ccccn12 ZINC000007001145 564102976 /nfs/dbraw/zinc/10/29/76/564102976.db2.gz VINIPNOHZJVDDM-QGZVFWFLSA-N 1 2 348.475 4.671 50 0 EJAALO c1c(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3s2)nc2ccccn12 ZINC000007001145 564102977 /nfs/dbraw/zinc/10/29/77/564102977.db2.gz VINIPNOHZJVDDM-QGZVFWFLSA-N 1 2 348.475 4.671 50 0 EJAALO CCn1c2ccccc2nc1SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000007153843 564105546 /nfs/dbraw/zinc/10/55/46/564105546.db2.gz SVQYUIIPIOWXQI-UHFFFAOYSA-N 1 2 342.855 4.650 50 0 EJAALO CC(C)c1nc2ccc(N[C@@H](c3[nH]cc[nH+]3)c3cccnc3)cc2s1 ZINC000195107434 564122793 /nfs/dbraw/zinc/12/27/93/564122793.db2.gz MEZONYMEABUXDJ-QGZVFWFLSA-N 1 2 349.463 4.739 50 0 EJAALO Cc1ccc(CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000002398789 564134514 /nfs/dbraw/zinc/13/45/14/564134514.db2.gz FMOWRWARZPTVDZ-UHFFFAOYSA-N 1 2 346.459 4.725 50 0 EJAALO Cc1ccc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1C ZINC000002423282 564134931 /nfs/dbraw/zinc/13/49/31/564134931.db2.gz VFUMBIOGOJBLSG-UHFFFAOYSA-N 1 2 346.459 4.725 50 0 EJAALO C[C@@H](c1nc2ccccc2o1)[N@H+](C)Cc1ccccc1Br ZINC000095465873 564141002 /nfs/dbraw/zinc/14/10/02/564141002.db2.gz RBALQSXJESIXIL-LBPRGKRZSA-N 1 2 345.240 4.783 50 0 EJAALO C[C@@H](c1nc2ccccc2o1)[N@@H+](C)Cc1ccccc1Br ZINC000095465873 564141003 /nfs/dbraw/zinc/14/10/03/564141003.db2.gz RBALQSXJESIXIL-LBPRGKRZSA-N 1 2 345.240 4.783 50 0 EJAALO CC(C)c1ccc([C@@H](C)[NH2+]Cc2noc(Cc3ccccc3)n2)cc1 ZINC000095957521 564142596 /nfs/dbraw/zinc/14/25/96/564142596.db2.gz ZUIHVBHSIUNQLF-MRXNPFEDSA-N 1 2 335.451 4.635 50 0 EJAALO Cc1cccn2cc(-c3cccc(NC(=O)c4ccccc4C)c3)[nH+]c12 ZINC000002647495 564151836 /nfs/dbraw/zinc/15/18/36/564151836.db2.gz LSBGANJIANBICK-UHFFFAOYSA-N 1 2 341.414 4.870 50 0 EJAALO Cc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c1 ZINC000057317478 564153599 /nfs/dbraw/zinc/15/35/99/564153599.db2.gz XMAAGVPVJXZCQN-IBGZPJMESA-N 1 2 342.870 4.814 50 0 EJAALO COc1cccc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)c1OC ZINC000057503875 564154566 /nfs/dbraw/zinc/15/45/66/564154566.db2.gz GFAZUXIDOWYSCT-ZDUSSCGKSA-N 1 2 342.464 4.507 50 0 EJAALO COc1cccc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)c1OC ZINC000057503875 564154567 /nfs/dbraw/zinc/15/45/67/564154567.db2.gz GFAZUXIDOWYSCT-ZDUSSCGKSA-N 1 2 342.464 4.507 50 0 EJAALO Cc1ccc(C[N@@H+](C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)o1 ZINC000003491515 564158445 /nfs/dbraw/zinc/15/84/45/564158445.db2.gz AAIDSPKRZMTPFR-UHFFFAOYSA-N 1 2 342.483 4.905 50 0 EJAALO Cc1ccc(C[N@H+](C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)o1 ZINC000003491515 564158446 /nfs/dbraw/zinc/15/84/46/564158446.db2.gz AAIDSPKRZMTPFR-UHFFFAOYSA-N 1 2 342.483 4.905 50 0 EJAALO c1cn(Cc2ccccc2)c(CSc2nc3ccccc3s2)[nH+]1 ZINC000058670113 564159540 /nfs/dbraw/zinc/15/95/40/564159540.db2.gz YEHJKPAEFOVYIF-UHFFFAOYSA-N 1 2 337.473 4.833 50 0 EJAALO Cc1ccccc1-c1noc(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)n1 ZINC000040066989 564167862 /nfs/dbraw/zinc/16/78/62/564167862.db2.gz ZRGGTRUKJNHFTE-HNNXBMFYSA-N 1 2 347.418 4.984 50 0 EJAALO Cc1ccccc1-c1noc(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)n1 ZINC000040066989 564167863 /nfs/dbraw/zinc/16/78/63/564167863.db2.gz ZRGGTRUKJNHFTE-HNNXBMFYSA-N 1 2 347.418 4.984 50 0 EJAALO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 ZINC000069417415 564169297 /nfs/dbraw/zinc/16/92/97/564169297.db2.gz ADFGUOZZJNYOHB-OLZOCXBDSA-N 1 2 327.815 4.802 50 0 EJAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc3cccc(Cl)c3n2)on1 ZINC000097772717 219055631 /nfs/dbraw/zinc/05/56/31/219055631.db2.gz OELRLAVTYPFZHK-MRXNPFEDSA-N 1 2 327.815 4.522 50 0 EJAALO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc3cccc(Cl)c3n2)on1 ZINC000097772717 219055633 /nfs/dbraw/zinc/05/56/33/219055633.db2.gz OELRLAVTYPFZHK-MRXNPFEDSA-N 1 2 327.815 4.522 50 0 EJAALO COc1ccc(-c2cn3cc(-c4ccc(Cl)cc4)n(C)c3[nH+]2)cc1 ZINC000004678576 210243769 /nfs/dbraw/zinc/24/37/69/210243769.db2.gz UFCSSHRIWACRRX-UHFFFAOYSA-N 1 2 337.810 4.669 50 0 EJAALO c1c(Cn2c[nH+]c(-c3ccccc3)c2C2CC2)onc1-c1cccnc1 ZINC000065500941 214935226 /nfs/dbraw/zinc/93/52/26/214935226.db2.gz DLIKXPPUADFTOY-UHFFFAOYSA-N 1 2 342.402 4.526 50 0 EJAALO Cc1nc(C)c(-c2csc(Nc3ccc([NH+](C)C)cc3)n2)s1 ZINC000003880698 210084086 /nfs/dbraw/zinc/08/40/86/210084086.db2.gz VBIOMAOCBUWKTJ-UHFFFAOYSA-N 1 2 330.482 4.693 50 0 EJAALO c1csc(C[N@@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)n1 ZINC000019743081 202018352 /nfs/dbraw/zinc/01/83/52/202018352.db2.gz ZNAIUFWTCDLKJL-UHFFFAOYSA-N 1 2 347.443 4.510 50 0 EJAALO c1csc(C[N@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)n1 ZINC000019743081 202018356 /nfs/dbraw/zinc/01/83/56/202018356.db2.gz ZNAIUFWTCDLKJL-UHFFFAOYSA-N 1 2 347.443 4.510 50 0 EJAALO COc1ccc(OCCCCn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000039907724 213243994 /nfs/dbraw/zinc/24/39/94/213243994.db2.gz OWGGDVPUKSMACC-UHFFFAOYSA-N 1 2 336.435 4.782 50 0 EJAALO Cc1ccc(CNc2[nH+]c3ccccc3n2Cc2ccc(C)cc2)o1 ZINC000022107301 202080015 /nfs/dbraw/zinc/08/00/15/202080015.db2.gz OUTVJAWDNYRJRZ-UHFFFAOYSA-N 1 2 331.419 4.907 50 0 EJAALO C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1Cl ZINC000040039178 202166812 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C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000023329997 212369475 /nfs/dbraw/zinc/36/94/75/212369475.db2.gz YHIFOSJGARAUTG-VIFPVBQESA-N 1 2 339.873 4.706 50 0 EJAALO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000023329997 212369478 /nfs/dbraw/zinc/36/94/78/212369478.db2.gz YHIFOSJGARAUTG-VIFPVBQESA-N 1 2 339.873 4.706 50 0 EJAALO c1csc([C@@H]2CCCC[N@H+]2Cc2cnc(C3CCCCC3)nc2)n1 ZINC000215341862 241120134 /nfs/dbraw/zinc/12/01/34/241120134.db2.gz OZTRHDIUXJVNAT-KRWDZBQOSA-N 1 2 342.512 4.708 50 0 EJAALO c1csc([C@@H]2CCCC[N@@H+]2Cc2cnc(C3CCCCC3)nc2)n1 ZINC000215341862 241120136 /nfs/dbraw/zinc/12/01/36/241120136.db2.gz OZTRHDIUXJVNAT-KRWDZBQOSA-N 1 2 342.512 4.708 50 0 EJAALO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)on2)cc1OC ZINC000225735010 242009640 /nfs/dbraw/zinc/00/96/40/242009640.db2.gz KKXLUBLJXBRZLL-LSDHHAIUSA-N 1 2 332.444 4.582 50 0 EJAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2Br)no1 ZINC000021720079 212244490 /nfs/dbraw/zinc/24/44/90/212244490.db2.gz 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Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccc3cccc(Cl)c3n2)no1 ZINC000097522059 219032151 /nfs/dbraw/zinc/03/21/51/219032151.db2.gz RJCVDPFGFOBSCX-GOSISDBHSA-N 1 2 341.842 4.912 50 0 EJAALO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccc3cccc(Cl)c3n2)no1 ZINC000097522059 219032154 /nfs/dbraw/zinc/03/21/54/219032154.db2.gz RJCVDPFGFOBSCX-GOSISDBHSA-N 1 2 341.842 4.912 50 0 EJAALO C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)Cc2cc(Cl)ccc2O1 ZINC000299768841 258082842 /nfs/dbraw/zinc/08/28/42/258082842.db2.gz KQRJKVNWEUKLLD-CQSZACIVSA-N 1 2 338.838 4.671 50 0 EJAALO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)Cc2cc(Cl)ccc2O1 ZINC000299768841 258082844 /nfs/dbraw/zinc/08/28/44/258082844.db2.gz KQRJKVNWEUKLLD-CQSZACIVSA-N 1 2 338.838 4.671 50 0 EJAALO Cc1cc(Nc2ccc(O)cc2)c2cccc(Br)c2[nH+]1 ZINC000012915323 563676640 /nfs/dbraw/zinc/67/66/40/563676640.db2.gz RVFTZAMMYYMKRC-UHFFFAOYSA-N 1 2 329.197 4.755 50 0 EJAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NCCc1ccccc1 ZINC000000071933 563215774 /nfs/dbraw/zinc/21/57/74/563215774.db2.gz 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Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)c3ccccc3)cc12 ZINC000033084561 563963442 /nfs/dbraw/zinc/96/34/42/563963442.db2.gz QYCFZFAUOQVVOT-UHFFFAOYSA-N 1 2 345.446 4.786 50 0 EJAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077390341 563969357 /nfs/dbraw/zinc/96/93/57/563969357.db2.gz MFAMGJPAZMZHEH-IBGZPJMESA-N 1 2 349.409 4.583 50 0 EJAALO Cc1cc(C)c(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)[nH+]1 ZINC000097214006 563970469 /nfs/dbraw/zinc/97/04/69/563970469.db2.gz YTPJMJIHIICWNB-GJZGRUSLSA-N 1 2 348.368 4.768 50 0 EJAALO CC(C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)cc1 ZINC000095516598 563977323 /nfs/dbraw/zinc/97/73/23/563977323.db2.gz UKXGDMHZNZQCPR-IBGZPJMESA-N 1 2 339.483 4.607 50 0 EJAALO CC(C)Cc1ccc([C@@H](C)C2=[NH+]CCc3cc4c(cc32)OCO4)cc1 ZINC000005284668 564005920 /nfs/dbraw/zinc/00/59/20/564005920.db2.gz SHPCVIPQFZWPKG-OAHLLOKOSA-N 1 2 335.447 4.763 50 0 EJAALO CCCCc1[nH]c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2[nH+]1 ZINC000048333264 564031121 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O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1ccccc1 ZINC000015863894 564077137 /nfs/dbraw/zinc/07/71/37/564077137.db2.gz RJWWTAYKONFGCI-UHFFFAOYSA-N 1 2 341.414 4.600 50 0 EJAALO O=C(Nc1cccs1)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575618504 564083656 /nfs/dbraw/zinc/08/36/56/564083656.db2.gz BUEZSBYTMOZYHN-UHFFFAOYSA-N 1 2 338.436 4.592 50 0 EJAALO C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@H]2[NH2+]Cc2ccccc2)[C@H]1C ZINC000245253898 564088653 /nfs/dbraw/zinc/08/86/53/564088653.db2.gz QUHYUADJNNQICY-CTOYSFNJSA-N 1 2 348.490 4.756 50 0 EJAALO c1ccc(-c2nnc(C[NH2+]C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000007448113 564108603 /nfs/dbraw/zinc/10/86/03/564108603.db2.gz SVEWELBRZFZQQF-UHFFFAOYSA-N 1 2 341.414 4.616 50 0 EJAALO c1ccc(-c2noc(C[NH2+]C(c3ccccc3)c3ccccc3)n2)cc1 ZINC000007448362 564108645 /nfs/dbraw/zinc/10/86/45/564108645.db2.gz ATZGGBGNRYMKLH-UHFFFAOYSA-N 1 2 341.414 4.616 50 0 EJAALO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 ZINC000079029696 564137672 /nfs/dbraw/zinc/13/76/72/564137672.db2.gz YTXZRSFELDYRJF-CHWSQXEVSA-N 1 2 341.386 4.721 50 0 EJAALO C[C@H](c1nc2ccccc2o1)[N@H+](C)Cc1ccccc1Br ZINC000095465874 564141017 /nfs/dbraw/zinc/14/10/17/564141017.db2.gz RBALQSXJESIXIL-GFCCVEGCSA-N 1 2 345.240 4.783 50 0 EJAALO C[C@H](c1nc2ccccc2o1)[N@@H+](C)Cc1ccccc1Br ZINC000095465874 564141018 /nfs/dbraw/zinc/14/10/18/564141018.db2.gz RBALQSXJESIXIL-GFCCVEGCSA-N 1 2 345.240 4.783 50 0 EJAALO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1)c1ccccc1 ZINC000008583054 564165837 /nfs/dbraw/zinc/16/58/37/564165837.db2.gz QTLPEXDDJSVWCZ-CYBMUJFWSA-N 1 2 349.825 4.642 50 0 EJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCCC2)cc1Cl ZINC000008583076 564165848 /nfs/dbraw/zinc/16/58/48/564165848.db2.gz XFCVIQCBBFYBJC-UHFFFAOYSA-N 1 2 341.846 4.522 50 0 EJAALO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000069514815 564170042 /nfs/dbraw/zinc/17/00/42/564170042.db2.gz VSAZFLLOXDCXET-OLZOCXBDSA-N 1 2 327.815 4.802 50 0 EJAALO c1ccc(CNc2nc(N3CCCCCC3)c3ccccc3[nH+]2)cc1 ZINC000041149424 564173520 /nfs/dbraw/zinc/17/35/20/564173520.db2.gz BQORVVPAWSUJFY-UHFFFAOYSA-N 1 2 332.451 4.622 50 0 EJAALO CC(C)c1ccc(NC(=O)c2cc3c(s2)C[N@@H+](C2CC2)C3)cc1 ZINC000065238830 568421283 /nfs/dbraw/zinc/42/12/83/568421283.db2.gz OOYIKBVROORZNQ-UHFFFAOYSA-N 1 2 326.465 4.602 50 0 EJAALO CC(C)c1ccc(NC(=O)c2cc3c(s2)C[N@H+](C2CC2)C3)cc1 ZINC000065238830 568421284 /nfs/dbraw/zinc/42/12/84/568421284.db2.gz OOYIKBVROORZNQ-UHFFFAOYSA-N 1 2 326.465 4.602 50 0 EJAALO CC(=O)N(c1nc(C[N@H+]2CCCC[C@@H]2C)cs1)c1ccc(C)cc1 ZINC000049982707 214038762 /nfs/dbraw/zinc/03/87/62/214038762.db2.gz NSWLZHZDEQLQJD-HNNXBMFYSA-N 1 2 343.496 4.511 50 0 EJAALO CC(=O)N(c1nc(C[N@@H+]2CCCC[C@@H]2C)cs1)c1ccc(C)cc1 ZINC000049982707 214038767 /nfs/dbraw/zinc/03/87/67/214038767.db2.gz NSWLZHZDEQLQJD-HNNXBMFYSA-N 1 2 343.496 4.511 50 0 EJAALO O=C(Nc1c2c([nH+]c3ccccc31)CCC2)C12CC3CC(CC(C3)C1)C2 ZINC000004321171 210169831 /nfs/dbraw/zinc/16/98/31/210169831.db2.gz 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ZINC000067741887 215200052 /nfs/dbraw/zinc/20/00/52/215200052.db2.gz QGYACGDEAIYCPO-UHFFFAOYSA-N 1 2 348.475 4.593 50 0 EJAALO C[N@H+](Cc1csc(C2CCCCC2)n1)Cc1ccc2c(c1)OCO2 ZINC000040105797 213266534 /nfs/dbraw/zinc/26/65/34/213266534.db2.gz NQZSAGDUZJXRAV-UHFFFAOYSA-N 1 2 344.480 4.552 50 0 EJAALO C[N@@H+](Cc1csc(C2CCCCC2)n1)Cc1ccc2c(c1)OCO2 ZINC000040105797 213266538 /nfs/dbraw/zinc/26/65/38/213266538.db2.gz NQZSAGDUZJXRAV-UHFFFAOYSA-N 1 2 344.480 4.552 50 0 EJAALO C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)Cc1ccccc1Cl ZINC000040071600 213258042 /nfs/dbraw/zinc/25/80/42/213258042.db2.gz BSCQOOHTAHHSNE-NSHDSACASA-N 1 2 333.844 4.645 50 0 EJAALO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)Cc1ccccc1Cl ZINC000040071600 213258046 /nfs/dbraw/zinc/25/80/46/213258046.db2.gz BSCQOOHTAHHSNE-NSHDSACASA-N 1 2 333.844 4.645 50 0 EJAALO C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000040071607 213257662 /nfs/dbraw/zinc/25/76/62/213257662.db2.gz NVNOAXPSKWLAJG-NSHDSACASA-N 1 2 333.844 4.645 50 0 EJAALO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000040071607 213257668 /nfs/dbraw/zinc/25/76/68/213257668.db2.gz NVNOAXPSKWLAJG-NSHDSACASA-N 1 2 333.844 4.645 50 0 EJAALO CN(C)c1ccc(Nc2nc(-c3ccsc3)nc3ccccc32)c[nH+]1 ZINC000023619009 202105963 /nfs/dbraw/zinc/10/59/63/202105963.db2.gz KIRGAGJLXQRAJR-UHFFFAOYSA-N 1 2 347.447 4.563 50 0 EJAALO COc1ccccc1Nc1c(-c2ccccc2O)[nH+]c2ccc(C)cn21 ZINC000035616014 213043232 /nfs/dbraw/zinc/04/32/32/213043232.db2.gz XVMIUXFHECHEOA-UHFFFAOYSA-N 1 2 345.402 4.768 50 0 EJAALO COc1ccccc1Nc1c(-c2ccc(O)cc2)[nH+]c2ccc(C)cn21 ZINC000035616016 213042511 /nfs/dbraw/zinc/04/25/11/213042511.db2.gz XBRUXFMPMBYEMY-UHFFFAOYSA-N 1 2 345.402 4.768 50 0 EJAALO COc1cc(C)[nH+]c2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc21 ZINC000033278721 202255494 /nfs/dbraw/zinc/25/54/94/202255494.db2.gz QGSSHNPHIIQZIL-UHFFFAOYSA-N 1 2 335.407 4.813 50 0 EJAALO c1coc(-c2nnc(C[N@@H+]3CCCC[C@@H]3c3cc4ccccc4[nH]3)o2)c1 ZINC000072629204 216284114 /nfs/dbraw/zinc/28/41/14/216284114.db2.gz LMDGWWTZZPCJBC-QGZVFWFLSA-N 1 2 348.406 4.538 50 0 EJAALO c1coc(-c2nnc(C[N@H+]3CCCC[C@@H]3c3cc4ccccc4[nH]3)o2)c1 ZINC000072629204 216284117 /nfs/dbraw/zinc/28/41/17/216284117.db2.gz LMDGWWTZZPCJBC-QGZVFWFLSA-N 1 2 348.406 4.538 50 0 EJAALO CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)on2)cc1OC ZINC000225735033 242010915 /nfs/dbraw/zinc/01/09/15/242010915.db2.gz KKXLUBLJXBRZLL-HUUCEWRRSA-N 1 2 332.444 4.582 50 0 EJAALO CCCc1[nH]c2ccc(CCC(=O)Nc3ccc(C)c(C)c3)cc2[nH+]1 ZINC000075465652 203314795 /nfs/dbraw/zinc/31/47/95/203314795.db2.gz DIQHOVOPLIGPAM-UHFFFAOYSA-N 1 2 335.451 4.704 50 0 EJAALO CCCc1[nH]c2cc(CCC(=O)Nc3ccc(C)c(C)c3)ccc2[nH+]1 ZINC000075465652 203314798 /nfs/dbraw/zinc/31/47/98/203314798.db2.gz DIQHOVOPLIGPAM-UHFFFAOYSA-N 1 2 335.451 4.704 50 0 EJAALO c1ccc(CN2CC[N@H+](Cc3ccccc3)C2c2ccccc2)cc1 ZINC000019228334 212006492 /nfs/dbraw/zinc/00/64/92/212006492.db2.gz DBFSGTXNKFBZCH-UHFFFAOYSA-N 1 2 328.459 4.703 50 0 EJAALO c1ccc(CN2CC[N@@H+](Cc3ccccc3)C2c2ccccc2)cc1 ZINC000019228334 212006498 /nfs/dbraw/zinc/00/64/98/212006498.db2.gz DBFSGTXNKFBZCH-UHFFFAOYSA-N 1 2 328.459 4.703 50 0 EJAALO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000011814956 211249109 /nfs/dbraw/zinc/24/91/09/211249109.db2.gz SYXFLAFOSAZFMP-AWEZNQCLSA-N 1 2 349.883 4.510 50 0 EJAALO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000011814956 211249114 /nfs/dbraw/zinc/24/91/14/211249114.db2.gz SYXFLAFOSAZFMP-AWEZNQCLSA-N 1 2 349.883 4.510 50 0 EJAALO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000055292084 132194777 /nfs/dbraw/zinc/19/47/77/132194777.db2.gz JBDIWNSIACSHMD-UHFFFAOYSA-N 1 2 349.305 4.932 50 0 EJAALO CC(C)c1nc(C[N@H+](C)Cc2ccc([C@@H]3CCCO3)s2)cs1 ZINC000214973174 535379070 /nfs/dbraw/zinc/37/90/70/535379070.db2.gz FTQSHAJBOZURNI-HNNXBMFYSA-N 1 2 336.526 4.812 50 0 EJAALO CC(C)c1nc(C[N@@H+](C)Cc2ccc([C@@H]3CCCO3)s2)cs1 ZINC000214973174 535379072 /nfs/dbraw/zinc/37/90/72/535379072.db2.gz FTQSHAJBOZURNI-HNNXBMFYSA-N 1 2 336.526 4.812 50 0 EJAALO Cc1ccc(Cn2ncc3c2nc[nH+]c3Nc2ccc(C)c(C)c2)cc1 ZINC000000521652 563340638 /nfs/dbraw/zinc/34/06/38/563340638.db2.gz IANOWXGIZPEXBJ-UHFFFAOYSA-N 1 2 343.434 4.543 50 0 EJAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NC1CCCCC1 ZINC000004354735 563665699 /nfs/dbraw/zinc/66/56/99/563665699.db2.gz NSBHRYJDNAEKNQ-UHFFFAOYSA-N 1 2 341.846 4.522 50 0 EJAALO c1coc(C[N@H+](Cc2nnc(-c3ccccc3)o2)Cc2ccccc2)c1 ZINC000032664845 563677841 /nfs/dbraw/zinc/67/78/41/563677841.db2.gz KARGZYMZRNLPSY-UHFFFAOYSA-N 1 2 345.402 4.532 50 0 EJAALO c1coc(C[N@@H+](Cc2nnc(-c3ccccc3)o2)Cc2ccccc2)c1 ZINC000032664845 563677844 /nfs/dbraw/zinc/67/78/44/563677844.db2.gz KARGZYMZRNLPSY-UHFFFAOYSA-N 1 2 345.402 4.532 50 0 EJAALO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)no1 ZINC000015866871 563797818 /nfs/dbraw/zinc/79/78/18/563797818.db2.gz LHWMBBUVTYGXOJ-HNNXBMFYSA-N 1 2 342.468 4.587 50 0 EJAALO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)no1 ZINC000015866871 563797821 /nfs/dbraw/zinc/79/78/21/563797821.db2.gz LHWMBBUVTYGXOJ-HNNXBMFYSA-N 1 2 342.468 4.587 50 0 EJAALO Cc1ccc(C)c(N2CC[NH+](C/C(Cl)=C/c3ccccc3)CC2)c1 ZINC000023282241 563866537 /nfs/dbraw/zinc/86/65/37/563866537.db2.gz WMRZHUFZGXLISR-HKWRFOASSA-N 1 2 340.898 4.705 50 0 EJAALO O=C(c1c[nH]c2ccccc21)[C@@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000025665674 563887070 /nfs/dbraw/zinc/88/70/70/563887070.db2.gz KZVVHEJWCBOWNQ-FQEVSTJZSA-N 1 2 346.455 4.943 50 0 EJAALO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000025665679 563887077 /nfs/dbraw/zinc/88/70/77/563887077.db2.gz KZVVHEJWCBOWNQ-HXUWFJFHSA-N 1 2 346.455 4.943 50 0 EJAALO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1nnc(-c2ccccc2)o1 ZINC000026362658 563891066 /nfs/dbraw/zinc/89/10/66/563891066.db2.gz SJLYNPRQXHSQDD-CHWSQXEVSA-N 1 2 327.815 4.802 50 0 EJAALO FC(F)Oc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000070037945 563903971 /nfs/dbraw/zinc/90/39/71/563903971.db2.gz BSBJMMDUIAHWQU-LJQANCHMSA-N 1 2 340.373 4.562 50 0 EJAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccccc1 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CC(C)(C)c1cc(C(=O)C[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000053992791 214209444 /nfs/dbraw/zinc/20/94/44/214209444.db2.gz FEWMDOGJRBBUEL-UHFFFAOYSA-N 1 2 331.500 4.656 50 0 EJAALO Cc1cccc2[nH+]c(-c3cccs3)c(Nc3ccc4c(c3)OCO4)n21 ZINC000003911526 210092603 /nfs/dbraw/zinc/09/26/03/210092603.db2.gz MWLPLQHLKKLBAF-UHFFFAOYSA-N 1 2 349.415 4.844 50 0 EJAALO Cc1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)c(C)c1 ZINC000040088610 213261366 /nfs/dbraw/zinc/26/13/66/213261366.db2.gz GVYSMXFUGGAQCE-IBGZPJMESA-N 1 2 339.870 4.570 50 0 EJAALO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000023903570 202109463 /nfs/dbraw/zinc/10/94/63/202109463.db2.gz ITNAAPNHMSEWSL-HNNXBMFYSA-N 1 2 335.451 4.807 50 0 EJAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000036783885 213118380 /nfs/dbraw/zinc/11/83/80/213118380.db2.gz VKFMHYACRQVQPQ-UHFFFAOYSA-N 1 2 348.233 4.544 50 0 EJAALO COc1ccccc1Nc1c(-c2ccccc2O)[nH+]c2cccc(C)n21 ZINC000035616064 213042859 /nfs/dbraw/zinc/04/28/59/213042859.db2.gz 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CC(C)c1nc(C[N@H+](C)Cc2ccc([C@H]3CCCO3)s2)cs1 ZINC000214973218 535378987 /nfs/dbraw/zinc/37/89/87/535378987.db2.gz FTQSHAJBOZURNI-OAHLLOKOSA-N 1 2 336.526 4.812 50 0 EJAALO CC(C)c1nc(C[N@@H+](C)Cc2ccc([C@H]3CCCO3)s2)cs1 ZINC000214973218 535378988 /nfs/dbraw/zinc/37/89/88/535378988.db2.gz FTQSHAJBOZURNI-OAHLLOKOSA-N 1 2 336.526 4.812 50 0 EJAALO C[C@@H]1CCc2sc3ncnc(Nc4ccc([NH+](C)C)cc4)c3c2C1 ZINC000000085750 563219972 /nfs/dbraw/zinc/21/99/72/563219972.db2.gz IHNPNYIENBLEFY-GFCCVEGCSA-N 1 2 338.480 4.626 50 0 EJAALO Cc1cc2[nH+]cn(CCOc3cccc(C(F)(F)F)c3)c2cc1C ZINC000001066798 563372843 /nfs/dbraw/zinc/37/28/43/563372843.db2.gz AUJYTKZBVBJIMY-UHFFFAOYSA-N 1 2 334.341 4.751 50 0 EJAALO CCC(=O)c1ccccc1OCCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000002881550 563461093 /nfs/dbraw/zinc/46/10/93/563461093.db2.gz SBWWMOGMIVIINL-UHFFFAOYSA-N 1 2 336.435 4.715 50 0 EJAALO CCCCc1[nH+]c2ccccc2n1CC(=O)N(c1ccccc1)C(C)C ZINC000012410992 563660430 /nfs/dbraw/zinc/66/04/30/563660430.db2.gz 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