smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(C[NH2+]Cc2c(O)ccc(Cl)c2F)nc2ccccc21 ZINC000191492780 1095020175 /nfs/dbraw/zinc/02/01/75/1095020175.db2.gz ITDPXXDFIMTKIA-UHFFFAOYSA-N 1 2 319.767 3.361 10 0 DGAELO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(F)F ZINC000720829974 1095973606 /nfs/dbraw/zinc/97/36/06/1095973606.db2.gz QWCUIYDRFMPNCW-GXTWGEPZSA-N 1 2 312.360 3.031 10 0 DGAELO COc1ccc([NH2+]CC2CCOCC2)cc1Br ZINC000088318118 185245578 /nfs/dbraw/zinc/24/55/78/185245578.db2.gz APEVYUDOBATLBK-UHFFFAOYSA-N 1 2 300.196 3.296 10 0 DGAELO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(C(F)(F)F)CCCC1 ZINC000415755712 529587708 /nfs/dbraw/zinc/58/77/08/529587708.db2.gz KHKPYLPAUPYPKV-SNVBAGLBSA-N 1 2 303.328 3.203 10 0 DGAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1c(F)cccc1F ZINC000088560207 185257940 /nfs/dbraw/zinc/25/79/40/185257940.db2.gz KHZRWDLVKQAMKW-MFKMUULPSA-N 1 2 306.360 3.304 10 0 DGAELO Fc1ccc(-n2ccc(CSCCn3cc[nH+]c3)n2)cc1 ZINC000090201774 185286627 /nfs/dbraw/zinc/28/66/27/185286627.db2.gz HMLHQRLUOFQLPD-UHFFFAOYSA-N 1 2 302.378 3.141 10 0 DGAELO CC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccc(F)cc1F ZINC000090227571 185287561 /nfs/dbraw/zinc/28/75/61/185287561.db2.gz YKOPSJLFICHXOY-CABCVRRESA-N 1 2 306.360 3.441 10 0 DGAELO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103318544 432006445 /nfs/dbraw/zinc/00/64/45/432006445.db2.gz SRLOVUCXZPENMK-IRXDYDNUSA-N 1 2 318.465 3.444 10 0 DGAELO Cc1cccc(C2=CC[N@H+](Cc3nnc(C4CC4)n3C)CC2)c1 ZINC000092821762 185344359 /nfs/dbraw/zinc/34/43/59/185344359.db2.gz ZOSJGLZKJWDLQM-UHFFFAOYSA-N 1 2 308.429 3.290 10 0 DGAELO Cc1cccc(C2=CC[N@@H+](Cc3nnc(C4CC4)n3C)CC2)c1 ZINC000092821762 185344360 /nfs/dbraw/zinc/34/43/60/185344360.db2.gz ZOSJGLZKJWDLQM-UHFFFAOYSA-N 1 2 308.429 3.290 10 0 DGAELO COc1c(C)cc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1C ZINC000092831481 185344664 /nfs/dbraw/zinc/34/46/64/185344664.db2.gz MGDWMLKCPWLQOL-OAHLLOKOSA-N 1 2 318.442 3.342 10 0 DGAELO COc1c(C)cc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1C ZINC000092831481 185344665 /nfs/dbraw/zinc/34/46/65/185344665.db2.gz MGDWMLKCPWLQOL-OAHLLOKOSA-N 1 2 318.442 3.342 10 0 DGAELO CC(C)Cc1ncc(C[NH+]2CCC(c3ccn[nH]3)CC2)s1 ZINC000092811049 185342661 /nfs/dbraw/zinc/34/26/61/185342661.db2.gz PGXUWQHYRHAPKI-UHFFFAOYSA-N 1 2 304.463 3.444 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]CCOc2ccc(SC)cc2)no1 ZINC000441256146 529714226 /nfs/dbraw/zinc/71/42/26/529714226.db2.gz MLJHJJHQYBYSIJ-UHFFFAOYSA-N 1 2 321.446 3.258 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]Cc2ccc(Br)cc2)no1 ZINC000441200933 529714440 /nfs/dbraw/zinc/71/44/40/529714440.db2.gz OSZFDTRMHWUINP-UHFFFAOYSA-N 1 2 324.222 3.419 10 0 DGAELO C[C@H](NC(=O)C(C)(Cl)Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000181477562 199303092 /nfs/dbraw/zinc/30/30/92/199303092.db2.gz BXPDZWCMBAIDRV-JTQLQIEISA-N 1 2 312.200 3.243 10 0 DGAELO CN1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@H](c2ccccc2)C1 ZINC000434832470 529773868 /nfs/dbraw/zinc/77/38/68/529773868.db2.gz QWDUSCRKEROWQJ-SFHVURJKSA-N 1 2 322.412 3.158 10 0 DGAELO CN1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@H](c2ccccc2)C1 ZINC000434832470 529773870 /nfs/dbraw/zinc/77/38/70/529773870.db2.gz QWDUSCRKEROWQJ-SFHVURJKSA-N 1 2 322.412 3.158 10 0 DGAELO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccco1)c1ccc(F)cc1 ZINC000069070044 190796862 /nfs/dbraw/zinc/79/68/62/190796862.db2.gz BFGBUKOFQAXESN-OLZOCXBDSA-N 1 2 304.365 3.289 10 0 DGAELO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1)c1ccc(F)cc1 ZINC000069070044 190796864 /nfs/dbraw/zinc/79/68/64/190796864.db2.gz BFGBUKOFQAXESN-OLZOCXBDSA-N 1 2 304.365 3.289 10 0 DGAELO CC[C@H]1C[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)CCO1 ZINC000084070838 192398674 /nfs/dbraw/zinc/39/86/74/192398674.db2.gz BVPUEPYPQQRRHZ-AWEZNQCLSA-N 1 2 308.447 3.071 10 0 DGAELO CC[C@H]1C[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)CCO1 ZINC000084070838 192398676 /nfs/dbraw/zinc/39/86/76/192398676.db2.gz BVPUEPYPQQRRHZ-AWEZNQCLSA-N 1 2 308.447 3.071 10 0 DGAELO CC[C@@H]1C[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)CCO1 ZINC000084070837 192399160 /nfs/dbraw/zinc/39/91/60/192399160.db2.gz BVPUEPYPQQRRHZ-CQSZACIVSA-N 1 2 308.447 3.071 10 0 DGAELO CC[C@@H]1C[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)CCO1 ZINC000084070837 192399162 /nfs/dbraw/zinc/39/91/62/192399162.db2.gz BVPUEPYPQQRRHZ-CQSZACIVSA-N 1 2 308.447 3.071 10 0 DGAELO COc1ccc(CNc2nc(N(C)C)[nH+]c3ccccc32)cc1 ZINC000072260747 191088341 /nfs/dbraw/zinc/08/83/41/191088341.db2.gz YSDSHKVNIQDAFI-UHFFFAOYSA-N 1 2 308.385 3.317 10 0 DGAELO COc1cccc([C@H]2CN(Cc3[nH+]ccn3C(C)C)CCO2)c1 ZINC000177898250 186201117 /nfs/dbraw/zinc/20/11/17/186201117.db2.gz GAXINSDQIKDUAO-QGZVFWFLSA-N 1 2 315.417 3.046 10 0 DGAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)o1 ZINC000189937520 186252402 /nfs/dbraw/zinc/25/24/02/186252402.db2.gz FLIHRMCNEZEMIU-QWHCGFSZSA-N 1 2 303.410 3.492 10 0 DGAELO COC(=O)c1coc(C[N@H+](C)Cc2ccc(F)cc2Cl)c1 ZINC000107063583 432026329 /nfs/dbraw/zinc/02/63/29/432026329.db2.gz DXSGOXDAKVWROD-UHFFFAOYSA-N 1 2 311.740 3.491 10 0 DGAELO COC(=O)c1coc(C[N@@H+](C)Cc2ccc(F)cc2Cl)c1 ZINC000107063583 432026332 /nfs/dbraw/zinc/02/63/32/432026332.db2.gz DXSGOXDAKVWROD-UHFFFAOYSA-N 1 2 311.740 3.491 10 0 DGAELO CCC[C@H](CCO)CNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000172809103 198152407 /nfs/dbraw/zinc/15/24/07/198152407.db2.gz GPTPOBZGCATMPN-CQSZACIVSA-N 1 2 300.406 3.058 10 0 DGAELO C[C@@H](CNC(=O)C[C@H]1CCCc2ccccc21)Cn1cc[nH+]c1 ZINC000172996915 198174447 /nfs/dbraw/zinc/17/44/47/198174447.db2.gz FUUDBEPVAJIJMZ-DOTOQJQBSA-N 1 2 311.429 3.146 10 0 DGAELO CC(C)c1nc(N2CCC[C@H]2CNC(=O)OC(C)(C)C)cc[nH+]1 ZINC000130966733 432031498 /nfs/dbraw/zinc/03/14/98/432031498.db2.gz ORSDHIDRFPVOSQ-ZDUSSCGKSA-N 1 2 320.437 3.094 10 0 DGAELO COc1sc(C[N@@H+]2CCS[C@@H](C)C2)cc1Br ZINC000131334921 432034916 /nfs/dbraw/zinc/03/49/16/432034916.db2.gz BKSSBZXBZCYFOJ-QMMMGPOBSA-N 1 2 322.293 3.457 10 0 DGAELO COc1sc(C[N@H+]2CCS[C@@H](C)C2)cc1Br ZINC000131334921 432034918 /nfs/dbraw/zinc/03/49/18/432034918.db2.gz BKSSBZXBZCYFOJ-QMMMGPOBSA-N 1 2 322.293 3.457 10 0 DGAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179138661 432044586 /nfs/dbraw/zinc/04/45/86/432044586.db2.gz LZDOBJUQLDWFBY-JQWIXIFHSA-N 1 2 305.813 3.075 10 0 DGAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179138687 432044789 /nfs/dbraw/zinc/04/47/89/432044789.db2.gz LZDOBJUQLDWFBY-ZYHUDNBSSA-N 1 2 305.813 3.075 10 0 DGAELO O=C(c1ccc(-c2ccccc2)cc1)N1CCn2cc[nH+]c2C1 ZINC000074785129 191360252 /nfs/dbraw/zinc/36/02/52/191360252.db2.gz KXJJZYSGFWHTMK-UHFFFAOYSA-N 1 2 303.365 3.206 10 0 DGAELO O=C(C(c1ccccc1)c1ccccc1)N1CCn2cc[nH+]c2C1 ZINC000074785036 191360439 /nfs/dbraw/zinc/36/04/39/191360439.db2.gz OELSLNTYJFCZEQ-UHFFFAOYSA-N 1 2 317.392 3.057 10 0 DGAELO COCc1cccc(C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000179205827 432049600 /nfs/dbraw/zinc/04/96/00/432049600.db2.gz SHZLFCNGEOXJAM-MRXNPFEDSA-N 1 2 318.442 3.171 10 0 DGAELO COCc1cccc(C[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000179205827 432049602 /nfs/dbraw/zinc/04/96/02/432049602.db2.gz SHZLFCNGEOXJAM-MRXNPFEDSA-N 1 2 318.442 3.171 10 0 DGAELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccccc1OC(F)F ZINC000164701791 432051252 /nfs/dbraw/zinc/05/12/52/432051252.db2.gz BXCMFVGJONKYAW-ZYHUDNBSSA-N 1 2 308.332 3.065 10 0 DGAELO CC[NH+](CC)CCNC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000005453266 181245773 /nfs/dbraw/zinc/24/57/73/181245773.db2.gz PYJVBWSFQRJFIY-SOFGYWHQSA-N 1 2 315.244 3.465 10 0 DGAELO Cc1cccc(Cl)c1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000132888680 432054918 /nfs/dbraw/zinc/05/49/18/432054918.db2.gz UNSJAEIYLYRQDL-UHFFFAOYSA-N 1 2 318.808 3.431 10 0 DGAELO O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179452453 432059582 /nfs/dbraw/zinc/05/95/82/432059582.db2.gz GTJZKCBCTLHIDA-QGZVFWFLSA-N 1 2 323.371 3.210 10 0 DGAELO Cc1cc([C@H]2CN(Cc3[nH+]ccn3C(C)C)CCO2)ccc1F ZINC000179511112 432060872 /nfs/dbraw/zinc/06/08/72/432060872.db2.gz ALWWLEVFPOJMHC-QGZVFWFLSA-N 1 2 317.408 3.485 10 0 DGAELO Cn1c(C[NH2+]C2(c3cccc(Cl)c3)CC2)nnc1C1CC1 ZINC000179666811 432066312 /nfs/dbraw/zinc/06/63/12/432066312.db2.gz SFTCPVOXYWBJQY-UHFFFAOYSA-N 1 2 302.809 3.125 10 0 DGAELO Cc1scc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000179753528 432070441 /nfs/dbraw/zinc/07/04/41/432070441.db2.gz PZWKBOBVGJEDPM-UHFFFAOYSA-N 1 2 315.442 3.159 10 0 DGAELO Cc1cccc(C(=O)NCc2ccc[nH+]c2N(C)C)c1Cl ZINC000169018596 432071054 /nfs/dbraw/zinc/07/10/54/432071054.db2.gz URXVNEWVXARRGC-UHFFFAOYSA-N 1 2 303.793 3.039 10 0 DGAELO Cn1c(Cl)cnc1C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170650896 432075855 /nfs/dbraw/zinc/07/58/55/432075855.db2.gz MVRPJBMCZZENAI-UHFFFAOYSA-N 1 2 322.815 3.289 10 0 DGAELO Cc1cn[nH]c1C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000449665050 240351202 /nfs/dbraw/zinc/35/12/02/240351202.db2.gz DDYRLIMFBUZPJO-AWEZNQCLSA-N 1 2 314.216 3.022 10 0 DGAELO Cc1c[nH]nc1C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000449665050 240351206 /nfs/dbraw/zinc/35/12/06/240351206.db2.gz DDYRLIMFBUZPJO-AWEZNQCLSA-N 1 2 314.216 3.022 10 0 DGAELO Cc1nc([C@@H]2CCCN2C(=O)c2ccc3[nH+]ccn3c2)cs1 ZINC000187071172 200056523 /nfs/dbraw/zinc/05/65/23/200056523.db2.gz HSWCMOXKMIHYCY-AWEZNQCLSA-N 1 2 312.398 3.077 10 0 DGAELO CCCc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000189317358 200381334 /nfs/dbraw/zinc/38/13/34/200381334.db2.gz TZLKIKCUKLZTPT-DLBZAZTESA-N 1 2 315.417 3.293 10 0 DGAELO CCCc1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000189317358 200381335 /nfs/dbraw/zinc/38/13/35/200381335.db2.gz TZLKIKCUKLZTPT-DLBZAZTESA-N 1 2 315.417 3.293 10 0 DGAELO O=C(Nc1cc(F)cc(Cl)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180540806 432089707 /nfs/dbraw/zinc/08/97/07/432089707.db2.gz DSUBZKJYHBWSBX-CQSZACIVSA-N 1 2 322.771 3.372 10 0 DGAELO COC(C)(C)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000170967572 432090144 /nfs/dbraw/zinc/09/01/44/432090144.db2.gz KJOQQRWCLYFJNV-UHFFFAOYSA-N 1 2 301.390 3.126 10 0 DGAELO Cc1cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc(-c2ccncc2)[nH+]1 ZINC000246091501 432093277 /nfs/dbraw/zinc/09/32/77/432093277.db2.gz LZEDIBKLBNTXPM-DJIMGWMZSA-N 1 2 322.412 3.217 10 0 DGAELO COc1cc(C[N@@H+]2CCO[C@H](c3nccs3)C2)ccc1C ZINC000193861158 201134595 /nfs/dbraw/zinc/13/45/95/201134595.db2.gz DUKPBVHSOROKMJ-HNNXBMFYSA-N 1 2 304.415 3.034 10 0 DGAELO COc1cc(C[N@H+]2CCO[C@H](c3nccs3)C2)ccc1C ZINC000193861158 201134597 /nfs/dbraw/zinc/13/45/97/201134597.db2.gz DUKPBVHSOROKMJ-HNNXBMFYSA-N 1 2 304.415 3.034 10 0 DGAELO COC(=O)c1ccc([C@H](C)[N@@H+]2CCC=C(Br)C2)o1 ZINC000281553221 216379802 /nfs/dbraw/zinc/37/98/02/216379802.db2.gz CGOJAZSNMICQCE-VIFPVBQESA-N 1 2 314.179 3.112 10 0 DGAELO COC(=O)c1ccc([C@H](C)[N@H+]2CCC=C(Br)C2)o1 ZINC000281553221 216379804 /nfs/dbraw/zinc/37/98/04/216379804.db2.gz CGOJAZSNMICQCE-VIFPVBQESA-N 1 2 314.179 3.112 10 0 DGAELO CCc1onc(C)c1C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000195356283 201383508 /nfs/dbraw/zinc/38/35/08/201383508.db2.gz IFPQLKOEDBXOKI-UHFFFAOYSA-N 1 2 324.384 3.412 10 0 DGAELO Clc1nc2ccccn2c1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245549443 202527681 /nfs/dbraw/zinc/52/76/81/202527681.db2.gz ZECCBEWXOMKWNX-OCCSQVGLSA-N 1 2 305.809 3.131 10 0 DGAELO Clc1nc2ccccn2c1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245549443 202527684 /nfs/dbraw/zinc/52/76/84/202527684.db2.gz ZECCBEWXOMKWNX-OCCSQVGLSA-N 1 2 305.809 3.131 10 0 DGAELO Cc1cncc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1 ZINC000189899945 432101572 /nfs/dbraw/zinc/10/15/72/432101572.db2.gz JSXTWUOTLXEHTM-KSSFIOAISA-N 1 2 300.377 3.491 10 0 DGAELO Cc1cncc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1 ZINC000189899945 432101576 /nfs/dbraw/zinc/10/15/76/432101576.db2.gz JSXTWUOTLXEHTM-KSSFIOAISA-N 1 2 300.377 3.491 10 0 DGAELO C[N@H+](CC(=O)NC(C)(C)C)Cc1cnc(-c2ccccc2)s1 ZINC000171082621 432102904 /nfs/dbraw/zinc/10/29/04/432102904.db2.gz XYHRBLCXKVVKRC-UHFFFAOYSA-N 1 2 317.458 3.157 10 0 DGAELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cnc(-c2ccccc2)s1 ZINC000171082621 432102908 /nfs/dbraw/zinc/10/29/08/432102908.db2.gz XYHRBLCXKVVKRC-UHFFFAOYSA-N 1 2 317.458 3.157 10 0 DGAELO CCc1cc(C)c(C(=O)NCC[N@@H+]2CCc3sccc3C2)o1 ZINC000135151301 432102871 /nfs/dbraw/zinc/10/28/71/432102871.db2.gz UKPDWGUNRRZYCF-UHFFFAOYSA-N 1 2 318.442 3.000 10 0 DGAELO CCc1cc(C)c(C(=O)NCC[N@H+]2CCc3sccc3C2)o1 ZINC000135151301 432102879 /nfs/dbraw/zinc/10/28/79/432102879.db2.gz UKPDWGUNRRZYCF-UHFFFAOYSA-N 1 2 318.442 3.000 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@H](C)c2ccccc21 ZINC000074536028 283800187 /nfs/dbraw/zinc/80/01/87/283800187.db2.gz KYOXOCOSVJKNGQ-AWEZNQCLSA-N 1 2 312.417 3.372 10 0 DGAELO CCOCc1nc([C@@H](C)[NH2+]Cc2cccc3ccoc32)no1 ZINC000449335925 240140973 /nfs/dbraw/zinc/14/09/73/240140973.db2.gz MENYACIASORREU-LLVKDONJSA-N 1 2 301.346 3.203 10 0 DGAELO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cccc(OC)n1 ZINC000091333316 193041870 /nfs/dbraw/zinc/04/18/70/193041870.db2.gz OMPJZNPYIHZISE-CYBMUJFWSA-N 1 2 310.401 3.311 10 0 DGAELO CN(C)c1[nH+]cccc1N(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000079722207 283887066 /nfs/dbraw/zinc/88/70/66/283887066.db2.gz DDDIQEZZHGXKLA-HUUCEWRRSA-N 1 2 301.434 3.327 10 0 DGAELO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000180970174 432108586 /nfs/dbraw/zinc/10/85/86/432108586.db2.gz NFAIAURYSUDRQO-DZGCQCFKSA-N 1 2 323.433 3.332 10 0 DGAELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000185908955 291375398 /nfs/dbraw/zinc/37/53/98/291375398.db2.gz CCIGKBAXHKPTGM-QGZVFWFLSA-N 1 2 317.820 3.118 10 0 DGAELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000185908955 291375399 /nfs/dbraw/zinc/37/53/99/291375399.db2.gz CCIGKBAXHKPTGM-QGZVFWFLSA-N 1 2 317.820 3.118 10 0 DGAELO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000246240887 432110640 /nfs/dbraw/zinc/11/06/40/432110640.db2.gz UNBSYXZMIHLTDY-GHMZBOCLSA-N 1 2 320.380 3.027 10 0 DGAELO C[C@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000246240887 432110644 /nfs/dbraw/zinc/11/06/44/432110644.db2.gz UNBSYXZMIHLTDY-GHMZBOCLSA-N 1 2 320.380 3.027 10 0 DGAELO Cn1c(C[N@H+]2CC=C(c3ccccc3)CC2)nnc1C1CCC1 ZINC000181076578 432112398 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c1cc2c(nc(C3CC3)[nH+]c2NCc2cn3ccsc3n2)[nH]1 ZINC000631043916 429972427 /nfs/dbraw/zinc/97/24/27/429972427.db2.gz GEBQDCYVVYCJOV-UHFFFAOYSA-N 1 2 310.386 3.157 10 0 DGAELO c1cn2ccc(CNc3nccn4nc(C5CCC5)cc34)cc2[nH+]1 ZINC000631167053 429976777 /nfs/dbraw/zinc/97/67/77/429976777.db2.gz FEGHVCLZGYJHBX-UHFFFAOYSA-N 1 2 318.384 3.257 10 0 DGAELO c1cc2c(nc(C3CC3)[nH+]c2N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)[nH]1 ZINC000631181113 429977944 /nfs/dbraw/zinc/97/79/44/429977944.db2.gz KNKZDLKORNOBFB-BNOWGMLFSA-N 1 2 310.401 3.205 10 0 DGAELO c1[nH+]cn2c1c(N[C@H]1CCO[C@H](C3CC3)C1)nc1ccccc12 ZINC000624104694 429931267 /nfs/dbraw/zinc/93/12/67/429931267.db2.gz FGRMMQPCGUWGOH-GUYCJALGSA-N 1 2 308.385 3.252 10 0 DGAELO CC(C)=CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246250819 277322888 /nfs/dbraw/zinc/32/28/88/277322888.db2.gz GSKBENYCEOPMNE-HOCLYGCPSA-N 1 2 310.800 3.307 10 0 DGAELO CC(C)=CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246250819 277322890 /nfs/dbraw/zinc/32/28/90/277322890.db2.gz GSKBENYCEOPMNE-HOCLYGCPSA-N 1 2 310.800 3.307 10 0 DGAELO c1cnn(C[C@H](Nc2cc[nH+]c(C3CC3)n2)c2ccccc2)c1 ZINC000607355578 430559219 /nfs/dbraw/zinc/55/92/19/430559219.db2.gz NNGKXJDUPNTNSX-INIZCTEOSA-N 1 2 305.385 3.404 10 0 DGAELO C[C@@H]([NH2+][C@@H]1CCOc2ccc(Br)cc21)c1ncc[nH]1 ZINC000138917197 278374431 /nfs/dbraw/zinc/37/44/31/278374431.db2.gz QRHJTDYVPFZZNO-BXKDBHETSA-N 1 2 322.206 3.347 10 0 DGAELO Cc1cc2oc(=O)cc(C[NH+]3[C@@H](C)COC[C@@H]3C)c2cc1C ZINC000077366728 278765335 /nfs/dbraw/zinc/76/53/35/278765335.db2.gz DWNRTVQDILFELD-KBPBESRZSA-N 1 2 301.386 3.019 10 0 DGAELO O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2[nH+]ccn2c1 ZINC000068511689 431132949 /nfs/dbraw/zinc/13/29/49/431132949.db2.gz YQXDAZRWVJOEBE-RYUDHWBXSA-N 1 2 311.307 3.185 10 0 DGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccoc3)n2)cn1 ZINC000108372610 431137223 /nfs/dbraw/zinc/13/72/23/431137223.db2.gz HIYQZCFSCRMHIN-HNNXBMFYSA-N 1 2 314.414 3.474 10 0 DGAELO 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OILKIDHTOLYPBH-GQCTYLIASA-N 1 2 313.376 3.353 10 0 DGAELO O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@H+](Cc2ccc(F)cc2)C1 ZINC000121275791 431764423 /nfs/dbraw/zinc/76/44/23/431764423.db2.gz XYRWGYVAFYNKMW-RHSMWYFYSA-N 1 2 307.315 3.412 10 0 DGAELO O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000121275791 431764428 /nfs/dbraw/zinc/76/44/28/431764428.db2.gz XYRWGYVAFYNKMW-RHSMWYFYSA-N 1 2 307.315 3.412 10 0 DGAELO O=C([C@H]1CCCn2cc[nH+]c21)N1CCC[C@H]1C1CCCCC1 ZINC000080578300 431773299 /nfs/dbraw/zinc/77/32/99/431773299.db2.gz OMLYZLYJDFQEMS-HOTGVXAUSA-N 1 2 301.434 3.332 10 0 DGAELO C[C@H](NC(=O)C[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000087340125 431853926 /nfs/dbraw/zinc/85/39/26/431853926.db2.gz DMYNMMXPLAPWSZ-WMLDXEAASA-N 1 2 313.401 3.009 10 0 DGAELO Fc1ccc(OCC[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000125045737 431911562 /nfs/dbraw/zinc/91/15/62/431911562.db2.gz BSJJJYXIQPXKIT-INIZCTEOSA-N 1 2 307.390 3.340 10 0 DGAELO Fc1ccc(OCC[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000125045737 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/nfs/dbraw/zinc/40/48/22/534404822.db2.gz XGRVWRUTSFXWDR-UHFFFAOYSA-N 1 2 305.399 3.175 10 0 DGAELO COC(=O)c1sccc1C[N@@H+](C)Cc1ccccc1OC ZINC000154143667 534404835 /nfs/dbraw/zinc/40/48/35/534404835.db2.gz XGRVWRUTSFXWDR-UHFFFAOYSA-N 1 2 305.399 3.175 10 0 DGAELO CC1(C)CCC(CC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000161875768 520294106 /nfs/dbraw/zinc/29/41/06/520294106.db2.gz KBBICEXHTYBWJY-INIZCTEOSA-N 1 2 303.450 3.481 10 0 DGAELO Cc1csc(C2CC[NH+](Cc3ncc(Cl)n3C)CC2)n1 ZINC000156667333 526332316 /nfs/dbraw/zinc/33/23/16/526332316.db2.gz PCZRWTGNCGSEDI-UHFFFAOYSA-N 1 2 310.854 3.218 10 0 DGAELO CC(=O)N(c1nc(C[N@@H+]2CC(C)=C[C@H](C)C2)cs1)C1CC1 ZINC000430276012 526507312 /nfs/dbraw/zinc/50/73/12/526507312.db2.gz BWKQDDIOFQIOAA-NSHDSACASA-N 1 2 305.447 3.056 10 0 DGAELO CC(=O)N(c1nc(C[N@H+]2CC(C)=C[C@H](C)C2)cs1)C1CC1 ZINC000430276012 526507318 /nfs/dbraw/zinc/50/73/18/526507318.db2.gz BWKQDDIOFQIOAA-NSHDSACASA-N 1 2 305.447 3.056 10 0 DGAELO CC(=O)[C@@H](C)CCCCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000155287754 527124514 /nfs/dbraw/zinc/12/45/14/527124514.db2.gz DITJXNASXZLZHJ-ZDUSSCGKSA-N 1 2 315.417 3.044 10 0 DGAELO CC(=O)[C@@H](C)S[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000413000081 527126558 /nfs/dbraw/zinc/12/65/58/527126558.db2.gz OEKOJWAZJLEEBN-NEPJUHHUSA-N 1 2 317.414 3.114 10 0 DGAELO CC(C)Oc1nccnc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000302053577 528290093 /nfs/dbraw/zinc/29/00/93/528290093.db2.gz YJNFGPOCCJNYBV-UHFFFAOYSA-N 1 2 311.389 3.185 10 0 DGAELO CC(C)n1cc[nH+]c1C[S@@](=O)CCCOc1ccc(F)cc1 ZINC000176882744 528607801 /nfs/dbraw/zinc/60/78/01/528607801.db2.gz FFQODOXBOVJIOR-QFIPXVFZSA-N 1 2 324.421 3.321 10 0 DGAELO CC[N@H+](Cc1c(F)ccc(Br)c1F)[C@@H]1CCOC1 ZINC000310995923 528755818 /nfs/dbraw/zinc/75/58/18/528755818.db2.gz HMDLPRFWJPPOLF-SECBINFHSA-N 1 2 320.177 3.338 10 0 DGAELO CC[N@@H+](Cc1c(F)ccc(Br)c1F)[C@@H]1CCOC1 ZINC000310995923 528755824 /nfs/dbraw/zinc/75/58/24/528755824.db2.gz HMDLPRFWJPPOLF-SECBINFHSA-N 1 2 320.177 3.338 10 0 DGAELO 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COc1ccccc1C/C(C)=C/C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733967481 574645945 /nfs/dbraw/zinc/64/59/45/574645945.db2.gz MYCOSYQQMQDYIR-WYMLVPIESA-N 1 2 321.380 3.470 10 0 DGAELO Cc1cccc2c1CCN(C(=O)Nc1ccc3[nH+]ccn3c1)C2 ZINC000738948903 574887222 /nfs/dbraw/zinc/88/72/22/574887222.db2.gz JDACFTQDGVPZLK-UHFFFAOYSA-N 1 2 306.369 3.233 10 0 DGAELO C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738951288 574887398 /nfs/dbraw/zinc/88/73/98/574887398.db2.gz JZQGOIBXAVHEDX-LBPRGKRZSA-N 1 2 310.357 3.265 10 0 DGAELO CCC(CC)N(CCOC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738950154 574887430 /nfs/dbraw/zinc/88/74/30/574887430.db2.gz RWYJKHSDZLTXGI-UHFFFAOYSA-N 1 2 304.394 3.003 10 0 DGAELO C/C(=C\C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000742856946 575022629 /nfs/dbraw/zinc/02/26/29/575022629.db2.gz AOSMUKNAXLPFDI-VSOYFRJCSA-N 1 2 309.413 3.176 10 0 DGAELO Cn1cc[nH+]c1C[C@@H](NC(=O)C=C1CCCC1)c1ccccc1 ZINC000742858455 575022789 /nfs/dbraw/zinc/02/27/89/575022789.db2.gz LJGYEOIRNVCFDJ-QGZVFWFLSA-N 1 2 309.413 3.321 10 0 DGAELO C/C(=C\C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000742856943 575022794 /nfs/dbraw/zinc/02/27/94/575022794.db2.gz AOSMUKNAXLPFDI-ABDJAZHISA-N 1 2 309.413 3.176 10 0 DGAELO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000015184963 621782183 /nfs/dbraw/zinc/78/21/83/621782183.db2.gz KSPFDFYGIKSOQX-HNNXBMFYSA-N 1 2 322.412 3.435 10 0 DGAELO C=C(Br)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077483283 655568797 /nfs/dbraw/zinc/56/87/97/655568797.db2.gz RMGWGRVEERMPMY-GFCCVEGCSA-N 1 2 310.191 3.461 10 0 DGAELO C=C(Br)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077483283 655568798 /nfs/dbraw/zinc/56/87/98/655568798.db2.gz RMGWGRVEERMPMY-GFCCVEGCSA-N 1 2 310.191 3.461 10 0 DGAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000249882558 657050152 /nfs/dbraw/zinc/05/01/52/657050152.db2.gz HTYBOAQCHUZNKV-TYNCELHUSA-N 1 2 322.453 3.014 10 0 DGAELO C/C=C\CC(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000229823285 659283498 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Cc1ncc(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000195311307 662184250 /nfs/dbraw/zinc/18/42/50/662184250.db2.gz ACPZLPHUJQHGMS-INIZCTEOSA-N 1 2 316.426 3.159 10 0 DGAELO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(C(F)(F)F)s1 ZINC000717912024 662197598 /nfs/dbraw/zinc/19/75/98/662197598.db2.gz OFDHWRBUHNGRDQ-SFYZADRCSA-N 1 2 304.341 3.307 10 0 DGAELO Cc1ccc2[nH+]cc(/C=C(/C#N)C(=O)c3cccc(C#N)c3)n2c1 ZINC000092851946 662336904 /nfs/dbraw/zinc/33/69/04/662336904.db2.gz YAYYKKKOZOZTEH-PXNMLYILSA-N 1 2 312.332 3.304 10 0 DGAELO C/C(=C/C(C)(C)C)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000588498983 1177219943 /nfs/dbraw/zinc/21/99/43/1177219943.db2.gz SIQQGFJTHISHPV-ZSMUJPCHSA-N 1 2 303.450 3.194 10 0 DGAELO C[C@H](Cc1ccsc1)[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000081598462 1197237626 /nfs/dbraw/zinc/23/76/26/1197237626.db2.gz NMIQQIMEBRRRMA-CQSZACIVSA-N 1 2 323.483 3.085 10 0 DGAELO C[C@H](Cc1ccsc1)[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000081598462 1197237627 /nfs/dbraw/zinc/23/76/27/1197237627.db2.gz 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JIWHDDJWXHQGHH-DYVFJYSZSA-N 1 2 305.418 3.119 10 0 DGAELO CCc1cc(C(=O)NCc2cn3c(cccc3C)[nH+]2)oc1CC ZINC000125325244 284273670 /nfs/dbraw/zinc/27/36/70/284273670.db2.gz FIVGKUBBXOUUCU-UHFFFAOYSA-N 1 2 311.385 3.291 10 0 DGAELO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000126324107 284300938 /nfs/dbraw/zinc/30/09/38/284300938.db2.gz UCGQJZJKGAEFHJ-ZIAGYGMSSA-N 1 2 316.474 3.291 10 0 DGAELO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000126324107 284300941 /nfs/dbraw/zinc/30/09/41/284300941.db2.gz UCGQJZJKGAEFHJ-ZIAGYGMSSA-N 1 2 316.474 3.291 10 0 DGAELO CCOc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000126969943 284322991 /nfs/dbraw/zinc/32/29/91/284322991.db2.gz CCPZTUXHORYSKP-RYUDHWBXSA-N 1 2 313.825 3.357 10 0 DGAELO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nnc(C2CCC2)n1C ZINC000181407419 432127989 /nfs/dbraw/zinc/12/79/89/432127989.db2.gz RMOMXTQODNVXKD-MRXNPFEDSA-N 1 2 313.449 3.148 10 0 DGAELO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nnc(C2CCC2)n1C ZINC000181407419 432127992 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Cc1ccccc1-c1nc(C[N@H+](C)CCc2ccncc2)no1 ZINC000181497504 432132402 /nfs/dbraw/zinc/13/24/02/432132402.db2.gz BSKJNPSGTLEUGQ-UHFFFAOYSA-N 1 2 308.385 3.115 10 0 DGAELO Cc1ccccc1-c1nc(C[N@@H+](C)CCc2ccncc2)no1 ZINC000181497504 432132405 /nfs/dbraw/zinc/13/24/05/432132405.db2.gz BSKJNPSGTLEUGQ-UHFFFAOYSA-N 1 2 308.385 3.115 10 0 DGAELO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccncc1 ZINC000181615313 432139184 /nfs/dbraw/zinc/13/91/84/432139184.db2.gz BBIAUTPSZOHAOY-SNVBAGLBSA-N 1 2 316.311 3.261 10 0 DGAELO c1csc(-c2cc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)no2)c1 ZINC000246538912 432142717 /nfs/dbraw/zinc/14/27/17/432142717.db2.gz AQFBBMVGKYKBSM-IUODEOHRSA-N 1 2 322.455 3.109 10 0 DGAELO c1csc(-c2cc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)no2)c1 ZINC000246538912 432142719 /nfs/dbraw/zinc/14/27/19/432142719.db2.gz AQFBBMVGKYKBSM-IUODEOHRSA-N 1 2 322.455 3.109 10 0 DGAELO Nc1c(NCc2ccccc2)[nH+]cnc1-n1cnc2ccccc21 ZINC000040709403 183121236 /nfs/dbraw/zinc/12/12/36/183121236.db2.gz RZAWYDSNAGBDDT-UHFFFAOYSA-N 1 2 316.368 3.010 10 0 DGAELO CCNc1nc[nH+]c(Nc2ccc(OC(F)(F)F)cc2)c1N ZINC000040707518 183120587 /nfs/dbraw/zinc/12/05/87/183120587.db2.gz JKRVWYVEOIJBGB-UHFFFAOYSA-N 1 2 313.283 3.133 10 0 DGAELO CCNc1[nH+]cnc(Nc2ccc(OC(F)(F)F)cc2)c1N ZINC000040707518 183120589 /nfs/dbraw/zinc/12/05/89/183120589.db2.gz JKRVWYVEOIJBGB-UHFFFAOYSA-N 1 2 313.283 3.133 10 0 DGAELO Nc1c(Nc2cccnc2Cl)nc[nH+]c1NC1CCCC1 ZINC000040800483 183135465 /nfs/dbraw/zinc/13/54/65/183135465.db2.gz UWTBLQLKYFMCRW-UHFFFAOYSA-N 1 2 304.785 3.205 10 0 DGAELO CCC1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000110246474 194317864 /nfs/dbraw/zinc/31/78/64/194317864.db2.gz JVYJIPFMMQEKKM-PCKAHOCUSA-N 1 2 318.465 3.066 10 0 DGAELO CCC1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000110246474 194317866 /nfs/dbraw/zinc/31/78/66/194317866.db2.gz JVYJIPFMMQEKKM-PCKAHOCUSA-N 1 2 318.465 3.066 10 0 DGAELO Clc1ccc(N2CCN(c3cc[nH+]c(C4CC4)n3)CC2)cc1 ZINC000110307937 194321481 /nfs/dbraw/zinc/32/14/81/194321481.db2.gz AWTAOTUCIFJUKY-UHFFFAOYSA-N 1 2 314.820 3.334 10 0 DGAELO Cc1nnc([C@H](Nc2cc[nH+]c(C(C)C)n2)c2ccccc2)[nH]1 ZINC000110519187 194337359 /nfs/dbraw/zinc/33/73/59/194337359.db2.gz BNGWGRADSXDEGP-OAHLLOKOSA-N 1 2 308.389 3.228 10 0 DGAELO Cc1nnc([C@@H](Nc2cc[nH+]c(C(C)C)n2)c2ccccc2)[nH]1 ZINC000110519190 194337561 /nfs/dbraw/zinc/33/75/61/194337561.db2.gz BNGWGRADSXDEGP-HNNXBMFYSA-N 1 2 308.389 3.228 10 0 DGAELO C[C@H](Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000112114557 194434173 /nfs/dbraw/zinc/43/41/73/194434173.db2.gz DJZVMFZADOPCCI-MRXNPFEDSA-N 1 2 319.408 3.367 10 0 DGAELO CCOc1cccc(NC(=O)C[N@@H+]2CCc3sccc3C2)c1 ZINC000058820044 184129380 /nfs/dbraw/zinc/12/93/80/184129380.db2.gz JHMJVHXEHMPVQT-UHFFFAOYSA-N 1 2 316.426 3.144 10 0 DGAELO CCOc1cccc(NC(=O)C[N@H+]2CCc3sccc3C2)c1 ZINC000058820044 184129382 /nfs/dbraw/zinc/12/93/82/184129382.db2.gz JHMJVHXEHMPVQT-UHFFFAOYSA-N 1 2 316.426 3.144 10 0 DGAELO Cc1cn(-c2ccc(CNC(=O)Cc3cccc(C)c3)cc2)c[nH+]1 ZINC000065201652 184314318 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3.214 10 0 DGAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000248841999 285030352 /nfs/dbraw/zinc/03/03/52/285030352.db2.gz OEIFLENEKJSKPT-YUTCNCBUSA-N 1 2 322.474 3.214 10 0 DGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(OC)c(Cl)c1 ZINC000248844185 285030865 /nfs/dbraw/zinc/03/08/65/285030865.db2.gz OUGXGHCSHRNIFG-WWGRRREGSA-N 1 2 323.820 3.122 10 0 DGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(OC)c(Cl)c1 ZINC000248844185 285030872 /nfs/dbraw/zinc/03/08/72/285030872.db2.gz OUGXGHCSHRNIFG-WWGRRREGSA-N 1 2 323.820 3.122 10 0 DGAELO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccncc2Cl)c1 ZINC000337385717 253102753 /nfs/dbraw/zinc/10/27/53/253102753.db2.gz DZPVYMDUAGVZFJ-PBHICJAKSA-N 1 2 318.804 3.052 10 0 DGAELO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2Cc2ccncc2Cl)c1 ZINC000337385717 253102755 /nfs/dbraw/zinc/10/27/55/253102755.db2.gz DZPVYMDUAGVZFJ-PBHICJAKSA-N 1 2 318.804 3.052 10 0 DGAELO Cc1[nH+]c2ccccc2n1CC(=O)NC/C=C\c1ccccc1 ZINC000255118705 285131608 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CN(C)c1nc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)ns1 ZINC000163736791 292871189 /nfs/dbraw/zinc/87/11/89/292871189.db2.gz JRRKFEKSRWJBRU-AWEZNQCLSA-N 1 2 304.463 3.481 10 0 DGAELO Clc1cnn([C@H]2CC[N@H+](Cc3ccn(C4CCCC4)n3)C2)c1 ZINC000290023341 221386564 /nfs/dbraw/zinc/38/65/64/221386564.db2.gz VHZCMHATJVTELW-INIZCTEOSA-N 1 2 319.840 3.295 10 0 DGAELO Clc1cnn([C@H]2CC[N@@H+](Cc3ccn(C4CCCC4)n3)C2)c1 ZINC000290023341 221386567 /nfs/dbraw/zinc/38/65/67/221386567.db2.gz VHZCMHATJVTELW-INIZCTEOSA-N 1 2 319.840 3.295 10 0 DGAELO CCC(C)(CC)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000121047733 195286940 /nfs/dbraw/zinc/28/69/40/195286940.db2.gz IQUUWUPAWDZZFE-UHFFFAOYSA-N 1 2 304.438 3.060 10 0 DGAELO Cc1cccc(C)c1OCCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121653178 195324075 /nfs/dbraw/zinc/32/40/75/195324075.db2.gz MNWJIPPJDPBZKK-MRXNPFEDSA-N 1 2 314.433 3.418 10 0 DGAELO Cc1cccc(C)c1OCCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121653178 195324078 /nfs/dbraw/zinc/32/40/78/195324078.db2.gz MNWJIPPJDPBZKK-MRXNPFEDSA-N 1 2 314.433 3.418 10 0 DGAELO C/C(=C/c1ccccc1)C[NH2+]Cc1nn(C)cc1Br ZINC000449484221 533393677 /nfs/dbraw/zinc/39/36/77/533393677.db2.gz LRFHYBHOOZEAIG-WQLSENKSSA-N 1 2 320.234 3.376 10 0 DGAELO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccc(-n2cncn2)cc1 ZINC000178800730 533564848 /nfs/dbraw/zinc/56/48/48/533564848.db2.gz UWTCJBULZMHWOO-CYBMUJFWSA-N 1 2 318.384 3.327 10 0 DGAELO COC(=O)[C@]12CCC[C@@H]1CN(c1[nH+]c3ccccc3cc1C)C2 ZINC000302136813 533638959 /nfs/dbraw/zinc/63/89/59/533638959.db2.gz DHZWKUYYIGJUPO-BEFAXECRSA-N 1 2 310.397 3.323 10 0 DGAELO COC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1C1CC1 ZINC000616142519 400089191 /nfs/dbraw/zinc/08/91/91/400089191.db2.gz JEWIGHFDVRUHNC-IBGZPJMESA-N 1 2 309.409 3.438 10 0 DGAELO Cc1ccoc1C[NH2+][C@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000328624750 400182826 /nfs/dbraw/zinc/18/28/26/400182826.db2.gz KDZRBWVCHDMWBO-HNNXBMFYSA-N 1 2 319.405 3.352 10 0 DGAELO CCCC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000608991287 400135441 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1 2 320.414 3.216 10 0 DGAELO CCCCc1noc(C[N@H+](C)CCOc2ccc(C)cc2)n1 ZINC000042632394 400436955 /nfs/dbraw/zinc/43/69/55/400436955.db2.gz ZDEUAWSLIDJRTM-UHFFFAOYSA-N 1 2 303.406 3.231 10 0 DGAELO CCCCc1noc(C[N@@H+](C)CCOc2ccc(C)cc2)n1 ZINC000042632394 400436957 /nfs/dbraw/zinc/43/69/57/400436957.db2.gz ZDEUAWSLIDJRTM-UHFFFAOYSA-N 1 2 303.406 3.231 10 0 DGAELO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCCc2ccccc2C)o1 ZINC000073606024 400459716 /nfs/dbraw/zinc/45/97/16/400459716.db2.gz JBQAYDQUVZFKJC-MRXNPFEDSA-N 1 2 314.429 3.076 10 0 DGAELO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NCCc2ccccc2C)o1 ZINC000073606024 400459719 /nfs/dbraw/zinc/45/97/19/400459719.db2.gz JBQAYDQUVZFKJC-MRXNPFEDSA-N 1 2 314.429 3.076 10 0 DGAELO CCC1CCC(NC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000123203790 400467068 /nfs/dbraw/zinc/46/70/68/400467068.db2.gz BFOBFCMNFAAWNB-UHFFFAOYSA-N 1 2 314.433 3.145 10 0 DGAELO COC(=O)[C@H]([NH2+]CCOc1c(Cl)cccc1Cl)C(C)C ZINC000043442392 400467727 /nfs/dbraw/zinc/46/77/27/400467727.db2.gz 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c1ccc(-c2nnc(C[N@H+]3CCOC[C@@H]3CC3CCC3)o2)cc1 ZINC000571228588 435689296 /nfs/dbraw/zinc/68/92/96/435689296.db2.gz CEPWZZSMIMFOFA-INIZCTEOSA-N 1 2 313.401 3.128 10 0 DGAELO c1ccc(-c2nnc(C[N@@H+]3CCOC[C@@H]3CC3CCC3)o2)cc1 ZINC000571228588 435689299 /nfs/dbraw/zinc/68/92/99/435689299.db2.gz CEPWZZSMIMFOFA-INIZCTEOSA-N 1 2 313.401 3.128 10 0 DGAELO Cc1cccc2c1CC[C@H]2NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000520616719 435759147 /nfs/dbraw/zinc/75/91/47/435759147.db2.gz PNNJGZREMFJNCH-QGZVFWFLSA-N 1 2 324.428 3.295 10 0 DGAELO Fc1ccc2c(c1)[C@H]([N@@H+]1CCO[C@@H](c3nccs3)C1)CC2 ZINC000248335327 303133632 /nfs/dbraw/zinc/13/36/32/303133632.db2.gz GNDAWKWYQBRMQD-HUUCEWRRSA-N 1 2 304.390 3.343 10 0 DGAELO Fc1ccc2c(c1)[C@H]([N@H+]1CCO[C@@H](c3nccs3)C1)CC2 ZINC000248335327 303133633 /nfs/dbraw/zinc/13/36/33/303133633.db2.gz GNDAWKWYQBRMQD-HUUCEWRRSA-N 1 2 304.390 3.343 10 0 DGAELO O=C(NC/C=C/c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171993650 312738484 /nfs/dbraw/zinc/73/84/84/312738484.db2.gz 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c1csc(-c2noc(C[N@H+]3CCOCC34CCCCC4)n2)c1 ZINC000575989799 316083184 /nfs/dbraw/zinc/08/31/84/316083184.db2.gz VQZLZGYBUPJYDL-UHFFFAOYSA-N 1 2 319.430 3.333 10 0 DGAELO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C ZINC000179897201 323216752 /nfs/dbraw/zinc/21/67/52/323216752.db2.gz VQBPXSSSQKKKBY-CYBMUJFWSA-N 1 2 316.376 3.432 10 0 DGAELO Cc1cccc(NC(=O)NCc2[nH+]ccn2CC(C)C)c1F ZINC000179979880 323219109 /nfs/dbraw/zinc/21/91/09/323219109.db2.gz CAZSKHHEWDBJIQ-UHFFFAOYSA-N 1 2 304.369 3.308 10 0 DGAELO Cc1nnc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)n1C1CC1 ZINC000180860371 323240208 /nfs/dbraw/zinc/24/02/08/323240208.db2.gz DQNXQNOOPRUKSY-UHFFFAOYSA-N 1 2 306.360 3.225 10 0 DGAELO COC[C@@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccccc1 ZINC000181681568 323264140 /nfs/dbraw/zinc/26/41/40/323264140.db2.gz MPZCOAQAEALMGD-GOSISDBHSA-N 1 2 307.397 3.416 10 0 DGAELO COc1ccc([C@@H](C)[NH2+]Cc2nc(C(C)(C)C)no2)cc1F ZINC000182024983 323280204 /nfs/dbraw/zinc/28/02/04/323280204.db2.gz HDOVDTBYAYEIQG-SNVBAGLBSA-N 1 2 307.369 3.366 10 0 DGAELO CCSc1ccc([C@@H](C)[NH2+]Cc2nnnn2C(C)C)cc1 ZINC000182136441 323284430 /nfs/dbraw/zinc/28/44/30/323284430.db2.gz JWEYRWXASOSFKV-GFCCVEGCSA-N 1 2 305.451 3.217 10 0 DGAELO CC(C)CCc1noc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)n1 ZINC000182278593 323290499 /nfs/dbraw/zinc/29/04/99/323290499.db2.gz LHPIWJHQQZULNN-LBPRGKRZSA-N 1 2 317.389 3.238 10 0 DGAELO C[C@H]([NH2+]Cc1noc(-c2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000182299006 323291812 /nfs/dbraw/zinc/29/18/12/323291812.db2.gz RAKCSZFKGGFJGF-LBPRGKRZSA-N 1 2 323.352 3.316 10 0 DGAELO CC(C)[C@H]([NH2+]Cc1nnnn1C(C)C)c1ccccc1Cl ZINC000183704003 323345209 /nfs/dbraw/zinc/34/52/09/323345209.db2.gz MZGSCFRAKPUIOD-HNNXBMFYSA-N 1 2 307.829 3.394 10 0 DGAELO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184876166 323376765 /nfs/dbraw/zinc/37/67/65/323376765.db2.gz UTCQSHSWLBRXRE-ZDUSSCGKSA-N 1 2 315.417 3.297 10 0 DGAELO CC[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1nccs1 ZINC000185042804 323379190 /nfs/dbraw/zinc/37/91/90/323379190.db2.gz MRZSFUUYQZUTBI-NSHDSACASA-N 1 2 311.357 3.101 10 0 DGAELO CC[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1nccs1 ZINC000185042820 323379728 /nfs/dbraw/zinc/37/97/28/323379728.db2.gz MRZSFUUYQZUTBI-LLVKDONJSA-N 1 2 311.357 3.101 10 0 DGAELO CC[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1nccs1 ZINC000185083192 323380164 /nfs/dbraw/zinc/38/01/64/323380164.db2.gz VYRCXSNFHMFFFH-LBPRGKRZSA-N 1 2 303.435 3.188 10 0 DGAELO COC(=O)[C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000579367704 323859380 /nfs/dbraw/zinc/85/93/80/323859380.db2.gz UGPBUGGKXDSOLF-NSHDSACASA-N 1 2 304.777 3.278 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000581053121 324068114 /nfs/dbraw/zinc/06/81/14/324068114.db2.gz GPJMWTGDKRXDJQ-KRWDZBQOSA-N 1 2 305.422 3.120 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000581053121 324068116 /nfs/dbraw/zinc/06/81/16/324068116.db2.gz GPJMWTGDKRXDJQ-KRWDZBQOSA-N 1 2 305.422 3.120 10 0 DGAELO COC(=O)c1ccc(F)c(CNc2cc[nH+]c(C(C)C)n2)c1 ZINC000302178578 534169119 /nfs/dbraw/zinc/16/91/19/534169119.db2.gz NKPNNFCSAHMBON-UHFFFAOYSA-N 1 2 303.337 3.138 10 0 DGAELO CC(C)=C(F)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000156428956 519391488 /nfs/dbraw/zinc/39/14/88/519391488.db2.gz KCIBXRGJPNEXFA-UHFFFAOYSA-N 1 2 305.397 3.342 10 0 DGAELO CC1(C)CCCC[C@@H]1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000156775767 520313539 /nfs/dbraw/zinc/31/35/39/520313539.db2.gz KZMRNVKCKHDVEH-CABCVRRESA-N 1 2 304.438 3.026 10 0 DGAELO c1ccc(N2CCC[C@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000432934650 534495038 /nfs/dbraw/zinc/49/50/38/534495038.db2.gz VZQJBBMADLYPHK-OAHLLOKOSA-N 1 2 308.429 3.104 10 0 DGAELO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nnc(C)n1C1CC1 ZINC000154870826 523629564 /nfs/dbraw/zinc/62/95/64/523629564.db2.gz IDMUQHHQOXHKIM-CQSZACIVSA-N 1 2 302.447 3.492 10 0 DGAELO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nnc(C)n1C1CC1 ZINC000154870826 523629574 /nfs/dbraw/zinc/62/95/74/523629574.db2.gz IDMUQHHQOXHKIM-CQSZACIVSA-N 1 2 302.447 3.492 10 0 DGAELO COc1ccccc1-c1nnc(C[N@H+](C)Cc2ccc(C)o2)o1 ZINC000158359751 524285949 /nfs/dbraw/zinc/28/59/49/524285949.db2.gz VXAIGURABPYOSW-UHFFFAOYSA-N 1 2 313.357 3.279 10 0 DGAELO COc1ccccc1-c1nnc(C[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000158359751 524285959 /nfs/dbraw/zinc/28/59/59/524285959.db2.gz VXAIGURABPYOSW-UHFFFAOYSA-N 1 2 313.357 3.279 10 0 DGAELO CC(=O)N(c1nc(C[N@@H+]2CC(C)=C[C@@H](C)C2)cs1)C1CC1 ZINC000430276011 526507053 /nfs/dbraw/zinc/50/70/53/526507053.db2.gz BWKQDDIOFQIOAA-LLVKDONJSA-N 1 2 305.447 3.056 10 0 DGAELO CC(=O)N(c1nc(C[N@H+]2CC(C)=C[C@@H](C)C2)cs1)C1CC1 ZINC000430276011 526507059 /nfs/dbraw/zinc/50/70/59/526507059.db2.gz BWKQDDIOFQIOAA-LLVKDONJSA-N 1 2 305.447 3.056 10 0 DGAELO c1sc(C2CC2)nc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000163311608 526630820 /nfs/dbraw/zinc/63/08/20/526630820.db2.gz GNNFALJGIKENRV-HNNXBMFYSA-N 1 2 301.415 3.069 10 0 DGAELO c1sc(C2CC2)nc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000163311608 526630827 /nfs/dbraw/zinc/63/08/27/526630827.db2.gz GNNFALJGIKENRV-HNNXBMFYSA-N 1 2 301.415 3.069 10 0 DGAELO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC(C)=C[C@@H](C)C2)c1C ZINC000430282396 527169091 /nfs/dbraw/zinc/16/90/91/527169091.db2.gz FMDLEVIDUGRTNJ-YGRLFVJLSA-N 1 2 302.418 3.303 10 0 DGAELO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC(C)=C[C@@H](C)C2)c1C ZINC000430282396 527169093 /nfs/dbraw/zinc/16/90/93/527169093.db2.gz FMDLEVIDUGRTNJ-YGRLFVJLSA-N 1 2 302.418 3.303 10 0 DGAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430268729 527401039 /nfs/dbraw/zinc/40/10/39/527401039.db2.gz KZRKRPMIYKBCOT-OCCSQVGLSA-N 1 2 300.402 3.114 10 0 DGAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430268729 527401044 /nfs/dbraw/zinc/40/10/44/527401044.db2.gz KZRKRPMIYKBCOT-OCCSQVGLSA-N 1 2 300.402 3.114 10 0 DGAELO CC(C)(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCC1 ZINC000448660493 527527453 /nfs/dbraw/zinc/52/74/53/527527453.db2.gz IHXCNAGYLXLTAA-UHFFFAOYSA-N 1 2 311.429 3.374 10 0 DGAELO CC1(C)[C@H](O)CC[N@@H+]1Cc1c(F)ccc(Br)c1F ZINC000310940799 527880599 /nfs/dbraw/zinc/88/05/99/527880599.db2.gz JPBKCXOUFJBPEG-LLVKDONJSA-N 1 2 320.177 3.073 10 0 DGAELO CC1(C)[C@H](O)CC[N@H+]1Cc1c(F)ccc(Br)c1F ZINC000310940799 527880602 /nfs/dbraw/zinc/88/06/02/527880602.db2.gz JPBKCXOUFJBPEG-LLVKDONJSA-N 1 2 320.177 3.073 10 0 DGAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000176883347 528608106 /nfs/dbraw/zinc/60/81/06/528608106.db2.gz WSIGBPGLKAEOML-KPWVOAKYSA-N 1 2 324.450 3.154 10 0 DGAELO CC[C@H]1CC[N@@H+]1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000292386618 529245586 /nfs/dbraw/zinc/24/55/86/529245586.db2.gz KCBBVRSJUWLLCL-JTQLQIEISA-N 1 2 302.447 3.137 10 0 DGAELO CC[C@H]1CC[N@H+]1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000292386618 529245589 /nfs/dbraw/zinc/24/55/89/529245589.db2.gz KCBBVRSJUWLLCL-JTQLQIEISA-N 1 2 302.447 3.137 10 0 DGAELO COC(=O)[C@H]([NH2+]C[C@@H](C)Oc1ccc(C(C)C)cc1)C1CC1 ZINC000488252658 536738240 /nfs/dbraw/zinc/73/82/40/536738240.db2.gz JIWHDDJWXHQGHH-CXAGYDPISA-N 1 2 305.418 3.119 10 0 DGAELO c1ccc2c(c1)[nH]c1c2C[N@H+](C[C@H]2COc3ccccc3O2)CC1 ZINC000031947867 545667268 /nfs/dbraw/zinc/66/72/68/545667268.db2.gz AMCLWYLKVGSCSK-AWEZNQCLSA-N 1 2 320.392 3.366 10 0 DGAELO c1ccc2c(c1)[nH]c1c2C[N@@H+](C[C@H]2COc3ccccc3O2)CC1 ZINC000031947867 545667273 /nfs/dbraw/zinc/66/72/73/545667273.db2.gz AMCLWYLKVGSCSK-AWEZNQCLSA-N 1 2 320.392 3.366 10 0 DGAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)C2 ZINC000163988206 546086132 /nfs/dbraw/zinc/08/61/32/546086132.db2.gz CRYOYDZZEOGWQR-LLVKDONJSA-N 1 2 303.793 3.424 10 0 DGAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cc(Cl)ccc1C)CC2 ZINC000163988206 546086138 /nfs/dbraw/zinc/08/61/38/546086138.db2.gz CRYOYDZZEOGWQR-LLVKDONJSA-N 1 2 303.793 3.424 10 0 DGAELO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccoc2)no1 ZINC000175123005 546111186 /nfs/dbraw/zinc/11/11/86/546111186.db2.gz BGLKMJJYGSYIRP-OAHLLOKOSA-N 1 2 312.373 3.395 10 0 DGAELO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000175123005 546111189 /nfs/dbraw/zinc/11/11/89/546111189.db2.gz BGLKMJJYGSYIRP-OAHLLOKOSA-N 1 2 312.373 3.395 10 0 DGAELO Cc1[nH]ncc1[C@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000180803837 546148965 /nfs/dbraw/zinc/14/89/65/546148965.db2.gz XCJDLRIBQXCJLA-NSHDSACASA-N 1 2 314.364 3.406 10 0 DGAELO Cn1c(C[N@@H+]2CCC[C@@H]2c2cccs2)nnc1C1CCC1 ZINC000181042627 546151584 /nfs/dbraw/zinc/15/15/84/546151584.db2.gz VTERUPNZSJDHTR-CYBMUJFWSA-N 1 2 302.447 3.481 10 0 DGAELO Cn1c(C[N@H+]2CCC[C@@H]2c2cccs2)nnc1C1CCC1 ZINC000181042627 546151586 /nfs/dbraw/zinc/15/15/86/546151586.db2.gz VTERUPNZSJDHTR-CYBMUJFWSA-N 1 2 302.447 3.481 10 0 DGAELO COCCc1noc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)n1 ZINC000181493512 546156842 /nfs/dbraw/zinc/15/68/42/546156842.db2.gz AVGROHDXONNJQC-ZDUSSCGKSA-N 1 2 311.385 3.263 10 0 DGAELO COc1cnccc1[C@@H](C)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000187062865 546198294 /nfs/dbraw/zinc/19/82/94/546198294.db2.gz TZOYIFGLWWYUIB-SNVBAGLBSA-N 1 2 301.321 3.221 10 0 DGAELO C[C@H](C[C@@H]1CCCO1)Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000329254313 546484446 /nfs/dbraw/zinc/48/44/46/546484446.db2.gz ZTQTWQMAMPFSPB-KFWWJZLASA-N 1 2 304.438 3.082 10 0 DGAELO C[C@H](C[C@@H]1CCCO1)Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000329254313 546484450 /nfs/dbraw/zinc/48/44/50/546484450.db2.gz ZTQTWQMAMPFSPB-KFWWJZLASA-N 1 2 304.438 3.082 10 0 DGAELO C(CC1CCCC1)c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000329690830 546490425 /nfs/dbraw/zinc/49/04/25/546490425.db2.gz GOMUFCOJMXVWHC-CABCVRRESA-N 1 2 305.422 3.118 10 0 DGAELO C(CC1CCCC1)c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329690830 546490428 /nfs/dbraw/zinc/49/04/28/546490428.db2.gz GOMUFCOJMXVWHC-CABCVRRESA-N 1 2 305.422 3.118 10 0 DGAELO C[C@@H](c1cccs1)c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000329747170 546491716 /nfs/dbraw/zinc/49/17/16/546491716.db2.gz ZGIWMLNDCSYGHF-XQQFMLRXSA-N 1 2 319.430 3.209 10 0 DGAELO C[C@@H](c1cccs1)c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329747170 546491720 /nfs/dbraw/zinc/49/17/20/546491720.db2.gz ZGIWMLNDCSYGHF-XQQFMLRXSA-N 1 2 319.430 3.209 10 0 DGAELO c1cn(-c2cccc(-c3noc([C@@H]4CCCOCC4)n3)c2)c[nH+]1 ZINC000350066068 546608943 /nfs/dbraw/zinc/60/89/43/546608943.db2.gz LLQXFRDZQFAFGY-CYBMUJFWSA-N 1 2 310.357 3.206 10 0 DGAELO Brc1cnc([C@@H]2[NH2+]CCc3sccc32)s1 ZINC000714045467 563333686 /nfs/dbraw/zinc/33/36/86/563333686.db2.gz VLQBRWNXBNNPAL-SECBINFHSA-N 1 2 301.234 3.202 10 0 DGAELO C/C(=C\C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000732071532 574566046 /nfs/dbraw/zinc/56/60/46/574566046.db2.gz ROPUHHLXUWWRDF-IDKBZEPQSA-N 1 2 313.376 3.289 10 0 DGAELO O=C(Nc1ccc2[nH+]ccn2c1)c1cccnc1SC(F)F ZINC000733878911 574641595 /nfs/dbraw/zinc/64/15/95/574641595.db2.gz PRURQTUOFBCUDL-UHFFFAOYSA-N 1 2 320.324 3.296 10 0 DGAELO Cc1cccc(OCCCNC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000738951585 574887231 /nfs/dbraw/zinc/88/72/31/574887231.db2.gz YLMYYSKUTYHXPX-UHFFFAOYSA-N 1 2 324.384 3.233 10 0 DGAELO CO[C@@H]1C[N@H+](Cc2ccc(Br)cc2F)CC[C@H]1C ZINC000299917591 575252418 /nfs/dbraw/zinc/25/24/18/575252418.db2.gz ITPLQHZXHUQCFC-QMTHXVAHSA-N 1 2 316.214 3.445 10 0 DGAELO CO[C@@H]1C[N@@H+](Cc2ccc(Br)cc2F)CC[C@H]1C ZINC000299917591 575252422 /nfs/dbraw/zinc/25/24/22/575252422.db2.gz ITPLQHZXHUQCFC-QMTHXVAHSA-N 1 2 316.214 3.445 10 0 DGAELO FC1(F)CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000398168735 575961041 /nfs/dbraw/zinc/96/10/41/575961041.db2.gz FAUWCOWJGJLEQI-GFCCVEGCSA-N 1 2 303.736 3.389 10 0 DGAELO Cc1ccc([C@@H](C)NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000726707660 576037089 /nfs/dbraw/zinc/03/70/89/576037089.db2.gz DUJJNSXJGRQICF-GFCCVEGCSA-N 1 2 318.446 3.430 10 0 DGAELO O=C(NC1CCCCCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000726700513 576037468 /nfs/dbraw/zinc/03/74/68/576037468.db2.gz DPPCCJSKADXUOX-UHFFFAOYSA-N 1 2 304.438 3.412 10 0 DGAELO Cn1c(-c2ccccc2)cn(C[N@H+](C)C[C@@H]2CCCO2)c1=S ZINC000151711502 620471227 /nfs/dbraw/zinc/47/12/27/620471227.db2.gz RPDAGLNNVAILSE-HNNXBMFYSA-N 1 2 317.458 3.291 10 0 DGAELO Cn1c(-c2ccccc2)cn(C[N@@H+](C)C[C@@H]2CCCO2)c1=S ZINC000151711502 620471229 /nfs/dbraw/zinc/47/12/29/620471229.db2.gz RPDAGLNNVAILSE-HNNXBMFYSA-N 1 2 317.458 3.291 10 0 DGAELO O=C1C[C@H](c2ccccc2)N1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000185148980 660203930 /nfs/dbraw/zinc/20/39/30/660203930.db2.gz GWVQYOVYZOFDDO-LJQANCHMSA-N 1 2 318.420 3.465 10 0 DGAELO O=C1C[C@H](c2ccccc2)N1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000185148980 660203932 /nfs/dbraw/zinc/20/39/32/660203932.db2.gz GWVQYOVYZOFDDO-LJQANCHMSA-N 1 2 318.420 3.465 10 0 DGAELO C[C@@H]([NH2+]Cc1ccnc(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000185454557 660224467 /nfs/dbraw/zinc/22/44/67/660224467.db2.gz PALPSHCVAXOLNI-GFCCVEGCSA-N 1 2 313.792 3.167 10 0 DGAELO C[C@@H]([NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C(F)F ZINC000227638103 660331059 /nfs/dbraw/zinc/33/10/59/660331059.db2.gz NCOYHJOSAXOJTG-LLVKDONJSA-N 1 2 314.376 3.455 10 0 DGAELO COC(=O)c1sccc1C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000708925809 660923466 /nfs/dbraw/zinc/92/34/66/660923466.db2.gz 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COc1cccc(F)c1[C@H](C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000224496170 659020031 /nfs/dbraw/zinc/02/00/31/659020031.db2.gz BYDOGUGPROMBSA-NSHDSACASA-N 1 2 324.396 3.104 10 0 DGAELO CC(C)(C)SCCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000157732568 661868441 /nfs/dbraw/zinc/86/84/41/661868441.db2.gz DKMONZFJRFWTHD-CQSZACIVSA-N 1 2 309.479 3.186 10 0 DGAELO CCc1csc([C@@H]2CCC[N@H+](Cn3cc(Cl)cn3)C2)n1 ZINC000195311519 662184316 /nfs/dbraw/zinc/18/43/16/662184316.db2.gz BLRIQGIYKIMFDD-LLVKDONJSA-N 1 2 310.854 3.393 10 0 DGAELO CCc1csc([C@@H]2CCC[N@@H+](Cn3cc(Cl)cn3)C2)n1 ZINC000195311519 662184317 /nfs/dbraw/zinc/18/43/17/662184317.db2.gz BLRIQGIYKIMFDD-LLVKDONJSA-N 1 2 310.854 3.393 10 0 DGAELO Cc1nc(NCCCOCC(C)C)c(Br)c(C)[nH+]1 ZINC000323289799 1197690342 /nfs/dbraw/zinc/69/03/42/1197690342.db2.gz LHALNUUYVJAFRC-UHFFFAOYSA-N 1 2 316.243 3.331 10 0 DGAELO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000232398473 1202601299 /nfs/dbraw/zinc/60/12/99/1202601299.db2.gz ZTBREJWQOIDMJM-KWQFWETISA-N 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COc1ccc(C[N@@H+](C)[C@H](C)c2nc(C(C)(C)C)no2)cc1O ZINC000080985484 431780625 /nfs/dbraw/zinc/78/06/25/431780625.db2.gz UFRJDEYKFRGAIJ-LLVKDONJSA-N 1 2 319.405 3.274 10 0 DGAELO CC(C)NC(=O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000036781587 431841278 /nfs/dbraw/zinc/84/12/78/431841278.db2.gz ZNUPWXLCIGWHGF-MRVPVSSYSA-N 1 2 307.196 3.308 10 0 DGAELO CCC(C)(C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000123106576 431855310 /nfs/dbraw/zinc/85/53/10/431855310.db2.gz UFWRSWYUIXIOMA-ZDUSSCGKSA-N 1 2 300.406 3.421 10 0 DGAELO CCCC[C@@H](COC)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000123123044 431855939 /nfs/dbraw/zinc/85/59/39/431855939.db2.gz OIMINYPBHUMUSY-HNNXBMFYSA-N 1 2 300.406 3.464 10 0 DGAELO CCc1cccc(CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000123339918 431862326 /nfs/dbraw/zinc/86/23/26/431862326.db2.gz MEQAPFZYNGGQGZ-QAPCUYQASA-N 1 2 311.429 3.098 10 0 DGAELO Cc1ncccc1C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000092812264 431912508 /nfs/dbraw/zinc/91/25/08/431912508.db2.gz 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/nfs/dbraw/zinc/92/56/78/431925678.db2.gz GCVAVRNLGOCHBV-INIZCTEOSA-N 1 2 313.426 3.278 10 0 DGAELO Cc1cc(N)nc(SCc2cc(F)cc3cccnc32)[nH+]1 ZINC000046028697 431893480 /nfs/dbraw/zinc/89/34/80/431893480.db2.gz XGTCNJKHWOBCSM-UHFFFAOYSA-N 1 2 300.362 3.347 10 0 DGAELO COC(=O)c1sccc1C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091081557 431901213 /nfs/dbraw/zinc/90/12/13/431901213.db2.gz DALLQYHMCAVHND-CYBMUJFWSA-N 1 2 319.430 3.212 10 0 DGAELO COC(=O)c1sccc1C[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091081557 431901215 /nfs/dbraw/zinc/90/12/15/431901215.db2.gz DALLQYHMCAVHND-CYBMUJFWSA-N 1 2 319.430 3.212 10 0 DGAELO O=C(c1cc2cc(Cl)ccc2o1)N1CC[NH+](C2CC2)CC1 ZINC000124861636 431906413 /nfs/dbraw/zinc/90/64/13/431906413.db2.gz KGBYVEOCOTXMQP-UHFFFAOYSA-N 1 2 304.777 3.006 10 0 DGAELO C[C@@H]1CCN(C(=O)C(C)(C)c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000126424816 431949448 /nfs/dbraw/zinc/94/94/48/431949448.db2.gz CTLGOBXDSXLIBQ-ZIAGYGMSSA-N 1 2 317.458 3.332 10 0 DGAELO c1cn(C[C@@H]2CCCN2c2nc(-c3ccccc3)ns2)c[nH+]1 ZINC000126478620 431951200 /nfs/dbraw/zinc/95/12/00/431951200.db2.gz ZJZLDOHLFLYUNB-AWEZNQCLSA-N 1 2 311.414 3.071 10 0 DGAELO O=C(C[N@H+](Cc1cccs1)C1CC1)Nc1ccccc1F ZINC000126856703 431959546 /nfs/dbraw/zinc/95/95/46/431959546.db2.gz KHOVXHHYZZWPKN-UHFFFAOYSA-N 1 2 304.390 3.490 10 0 DGAELO O=C(C[N@@H+](Cc1cccs1)C1CC1)Nc1ccccc1F ZINC000126856703 431959548 /nfs/dbraw/zinc/95/95/48/431959548.db2.gz KHOVXHHYZZWPKN-UHFFFAOYSA-N 1 2 304.390 3.490 10 0 DGAELO Cc1csc([C@H]2C[N@H+](Cc3ccccc3N(C)C)CCO2)n1 ZINC000173600910 432289167 /nfs/dbraw/zinc/28/91/67/432289167.db2.gz FPOZQQDXKBALFG-MRXNPFEDSA-N 1 2 317.458 3.091 10 0 DGAELO Cc1csc([C@H]2C[N@@H+](Cc3ccccc3N(C)C)CCO2)n1 ZINC000173600910 432289173 /nfs/dbraw/zinc/28/91/73/432289173.db2.gz FPOZQQDXKBALFG-MRXNPFEDSA-N 1 2 317.458 3.091 10 0 DGAELO CO[C@@H](C)C[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000248426104 432291017 /nfs/dbraw/zinc/29/10/17/432291017.db2.gz OFMXBJUAMTVIQG-SMDDNHRTSA-N 1 2 303.324 3.114 10 0 DGAELO CO[C@@H](C)C[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000248426104 432291020 /nfs/dbraw/zinc/29/10/20/432291020.db2.gz OFMXBJUAMTVIQG-SMDDNHRTSA-N 1 2 303.324 3.114 10 0 DGAELO CCn1cc([C@H]2C[N@H+](Cc3cccc(Cl)c3)CCO2)cn1 ZINC000191710476 432292700 /nfs/dbraw/zinc/29/27/00/432292700.db2.gz BNKKIHYYECZLOB-MRXNPFEDSA-N 1 2 305.809 3.130 10 0 DGAELO CCn1cc([C@H]2C[N@@H+](Cc3cccc(Cl)c3)CCO2)cn1 ZINC000191710476 432292704 /nfs/dbraw/zinc/29/27/04/432292704.db2.gz BNKKIHYYECZLOB-MRXNPFEDSA-N 1 2 305.809 3.130 10 0 DGAELO CCO[C@@H](C)c1nc(C[N@H+](C)CCc2cccnc2)cs1 ZINC000173663560 432292914 /nfs/dbraw/zinc/29/29/14/432292914.db2.gz XHYOFHNRFOMLKY-ZDUSSCGKSA-N 1 2 305.447 3.310 10 0 DGAELO CCO[C@@H](C)c1nc(C[N@@H+](C)CCc2cccnc2)cs1 ZINC000173663560 432292918 /nfs/dbraw/zinc/29/29/18/432292918.db2.gz XHYOFHNRFOMLKY-ZDUSSCGKSA-N 1 2 305.447 3.310 10 0 DGAELO CCn1cc([C@H]2C[N@H+](Cc3ccc(Cl)cc3C)CCO2)cn1 ZINC000191705264 432293235 /nfs/dbraw/zinc/29/32/35/432293235.db2.gz KTDQPWKRWNNFFE-QGZVFWFLSA-N 1 2 319.836 3.438 10 0 DGAELO CCn1cc([C@H]2C[N@@H+](Cc3ccc(Cl)cc3C)CCO2)cn1 ZINC000191705264 432293238 /nfs/dbraw/zinc/29/32/38/432293238.db2.gz KTDQPWKRWNNFFE-QGZVFWFLSA-N 1 2 319.836 3.438 10 0 DGAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ncc(C(C)C)s3)[C@@H]2C1 ZINC000248500856 432296138 /nfs/dbraw/zinc/29/61/38/432296138.db2.gz SWLYDTZVKZAXSL-MGPQQGTHSA-N 1 2 310.463 3.035 10 0 DGAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ncc(C(C)C)s3)[C@@H]2C1 ZINC000248500856 432296145 /nfs/dbraw/zinc/29/61/45/432296145.db2.gz SWLYDTZVKZAXSL-MGPQQGTHSA-N 1 2 310.463 3.035 10 0 DGAELO COc1cc[nH+]cc1NC(=O)c1ccc(F)c(CSC)c1 ZINC000174154235 432324344 /nfs/dbraw/zinc/32/43/44/432324344.db2.gz VZPSUVWVOLQGME-UHFFFAOYSA-N 1 2 306.362 3.345 10 0 DGAELO CC(C)=CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152384580 432329077 /nfs/dbraw/zinc/32/90/77/432329077.db2.gz GSKBENYCEOPMNE-GOEBONIOSA-N 1 2 310.800 3.307 10 0 DGAELO CC(C)=CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152384580 432329081 /nfs/dbraw/zinc/32/90/81/432329081.db2.gz GSKBENYCEOPMNE-GOEBONIOSA-N 1 2 310.800 3.307 10 0 DGAELO Cc1cc(CNC(=O)[C@H]2CCCn3cc[nH+]c32)ccc1Cl ZINC000183857886 432330055 /nfs/dbraw/zinc/33/00/55/432330055.db2.gz NMQUAFSGGBOMRP-ZDUSSCGKSA-N 1 2 303.793 3.039 10 0 DGAELO Cc1cc(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)ccc1Cl ZINC000183857870 432330420 /nfs/dbraw/zinc/33/04/20/432330420.db2.gz NMQUAFSGGBOMRP-CYBMUJFWSA-N 1 2 303.793 3.039 10 0 DGAELO C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)O1 ZINC000248995599 432332329 /nfs/dbraw/zinc/33/23/29/432332329.db2.gz ZLRMELYYWGXCEX-MGPQQGTHSA-N 1 2 324.490 3.381 10 0 DGAELO C[C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)O1 ZINC000248995599 432332330 /nfs/dbraw/zinc/33/23/30/432332330.db2.gz ZLRMELYYWGXCEX-MGPQQGTHSA-N 1 2 324.490 3.381 10 0 DGAELO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC000249150175 432342071 /nfs/dbraw/zinc/34/20/71/432342071.db2.gz XMYVGJAGGGBIBF-JHJVBQTASA-N 1 2 308.422 3.164 10 0 DGAELO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C[C@H]1C ZINC000249150175 432342075 /nfs/dbraw/zinc/34/20/75/432342075.db2.gz XMYVGJAGGGBIBF-JHJVBQTASA-N 1 2 308.422 3.164 10 0 DGAELO C[C@@H](C[N@H+](C)Cc1nc(C2CCCC2)no1)c1nccs1 ZINC000183978320 432342512 /nfs/dbraw/zinc/34/25/12/432342512.db2.gz WUTZJHWWWKAXRK-NSHDSACASA-N 1 2 306.435 3.419 10 0 DGAELO C[C@@H](C[N@@H+](C)Cc1nc(C2CCCC2)no1)c1nccs1 ZINC000183978320 432342517 /nfs/dbraw/zinc/34/25/17/432342517.db2.gz WUTZJHWWWKAXRK-NSHDSACASA-N 1 2 306.435 3.419 10 0 DGAELO FC(F)(F)c1ccccc1[C@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000184004542 432344610 /nfs/dbraw/zinc/34/46/10/432344610.db2.gz SPCOYCCMBMNHCL-SWLSCSKDSA-N 1 2 315.335 3.258 10 0 DGAELO FC(F)(F)c1ccccc1[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000184004542 432344617 /nfs/dbraw/zinc/34/46/17/432344617.db2.gz SPCOYCCMBMNHCL-SWLSCSKDSA-N 1 2 315.335 3.258 10 0 DGAELO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000249297399 432344826 /nfs/dbraw/zinc/34/48/26/432344826.db2.gz BXXAFXIQNVBVBA-GRDNDAEWSA-N 1 2 300.402 3.262 10 0 DGAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(F)ccc3Cl)[C@H]2C1 ZINC000249398681 432347365 /nfs/dbraw/zinc/34/73/65/432347365.db2.gz UIDKIWCCTSFFEA-VNQPRFMTSA-N 1 2 313.800 3.247 10 0 DGAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(F)ccc3Cl)[C@H]2C1 ZINC000249398681 432347368 /nfs/dbraw/zinc/34/73/68/432347368.db2.gz UIDKIWCCTSFFEA-VNQPRFMTSA-N 1 2 313.800 3.247 10 0 DGAELO C[C@H]1C[C@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)C[C@@H](C)C1 ZINC000248717447 432312455 /nfs/dbraw/zinc/31/24/55/432312455.db2.gz GOLGVQIWCZZMHT-FVQHAEBGSA-N 1 2 315.461 3.193 10 0 DGAELO C[C@H](NC(=O)N1CC[C@H](C)[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174959301 432383445 /nfs/dbraw/zinc/38/34/45/432383445.db2.gz DFOZIRQCSWBDJF-KKUMJFAQSA-N 1 2 312.417 3.373 10 0 DGAELO Cn1nccc1CCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000184359817 432383716 /nfs/dbraw/zinc/38/37/16/432383716.db2.gz ZTWPZDKWXCJOMV-UHFFFAOYSA-N 1 2 322.368 3.179 10 0 DGAELO CC(=O)Nc1nc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)cs1 ZINC000252649155 432384367 /nfs/dbraw/zinc/38/43/67/432384367.db2.gz RVBPYFUAHIEELA-XHDPSFHLSA-N 1 2 301.415 3.295 10 0 DGAELO CC(=O)Nc1nc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)cs1 ZINC000252649155 432384368 /nfs/dbraw/zinc/38/43/68/432384368.db2.gz RVBPYFUAHIEELA-XHDPSFHLSA-N 1 2 301.415 3.295 10 0 DGAELO COCc1ccccc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000174972008 432385901 /nfs/dbraw/zinc/38/59/01/432385901.db2.gz SCEMYDSPRCRBMW-UHFFFAOYSA-N 1 2 316.405 3.007 10 0 DGAELO CC[C@H](C)CC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000253351176 432390035 /nfs/dbraw/zinc/39/00/35/432390035.db2.gz HQFWGKSOLVYRCZ-SOUVJXGZSA-N 1 2 324.490 3.062 10 0 DGAELO CC[C@H](C)CC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000253351176 432390039 /nfs/dbraw/zinc/39/00/39/432390039.db2.gz HQFWGKSOLVYRCZ-SOUVJXGZSA-N 1 2 324.490 3.062 10 0 DGAELO COCCOc1ccc(F)cc1NCc1ccc(C)[nH+]c1C ZINC000184434898 432391803 /nfs/dbraw/zinc/39/18/03/432391803.db2.gz GATPVVPWELFCRQ-UHFFFAOYSA-N 1 2 304.365 3.475 10 0 DGAELO Cc1ccc(CNc2ccc(F)c(C(=O)N(C)C)c2)c(C)[nH+]1 ZINC000184483393 432396953 /nfs/dbraw/zinc/39/69/53/432396953.db2.gz LDXQNAZITQIQSM-UHFFFAOYSA-N 1 2 301.365 3.151 10 0 DGAELO C[C@H](NC(=O)N[C@H]1CC=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175091520 432397250 /nfs/dbraw/zinc/39/72/50/432397250.db2.gz OFGVIAGYHWWVSR-HOCLYGCPSA-N 1 2 310.401 3.341 10 0 DGAELO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1cn(-c2ccccc2)nn1 ZINC000153337105 432400998 /nfs/dbraw/zinc/40/09/98/432400998.db2.gz NVNLWZYOCBBVJG-GFCCVEGCSA-N 1 2 306.373 3.108 10 0 DGAELO c1nc(C[NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)co1 ZINC000192300873 432356487 /nfs/dbraw/zinc/35/64/87/432356487.db2.gz IABLRVDDAVVYPT-UHFFFAOYSA-N 1 2 318.380 3.362 10 0 DGAELO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000250116209 432364453 /nfs/dbraw/zinc/36/44/53/432364453.db2.gz PVFJDXYKHJHJFS-QWHCGFSZSA-N 1 2 301.390 3.297 10 0 DGAELO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000250116209 432364456 /nfs/dbraw/zinc/36/44/56/432364456.db2.gz PVFJDXYKHJHJFS-QWHCGFSZSA-N 1 2 301.390 3.297 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cc(F)cc(F)c1 ZINC000174748414 432368971 /nfs/dbraw/zinc/36/89/71/432368971.db2.gz WCWIHWBMZAVGNS-UHFFFAOYSA-N 1 2 308.332 3.139 10 0 DGAELO CC(C)CC[C@H](C)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184246532 432370880 /nfs/dbraw/zinc/37/08/80/432370880.db2.gz VEJJXKOCFDCLPD-INIZCTEOSA-N 1 2 318.465 3.128 10 0 DGAELO CCc1onc(C)c1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175383971 432430938 /nfs/dbraw/zinc/43/09/38/432430938.db2.gz SEZXKNGVBKNHKE-LBPRGKRZSA-N 1 2 324.384 3.222 10 0 DGAELO Cn1c(C[N@@H+]2CCC[C@H]2c2ccncc2)nnc1-c1ccccc1 ZINC000153905475 432453354 /nfs/dbraw/zinc/45/33/54/432453354.db2.gz MQBGCBIUMAXHQD-KRWDZBQOSA-N 1 2 319.412 3.214 10 0 DGAELO Cn1c(C[N@H+]2CCC[C@H]2c2ccncc2)nnc1-c1ccccc1 ZINC000153905475 432453357 /nfs/dbraw/zinc/45/33/57/432453357.db2.gz MQBGCBIUMAXHQD-KRWDZBQOSA-N 1 2 319.412 3.214 10 0 DGAELO CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000185023346 432457258 /nfs/dbraw/zinc/45/72/58/432457258.db2.gz OXHNMCAZTHRBFS-SJORKVTESA-N 1 2 315.461 3.226 10 0 DGAELO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192738024 432407975 /nfs/dbraw/zinc/40/79/75/432407975.db2.gz IGLWNOAKUDKTBS-GHMZBOCLSA-N 1 2 305.353 3.050 10 0 DGAELO CN(C)c1noc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000192752349 432409577 /nfs/dbraw/zinc/40/95/77/432409577.db2.gz XQFYDKDJZPMLAH-INIZCTEOSA-N 1 2 312.417 3.178 10 0 DGAELO CN(C)c1noc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000192752349 432409581 /nfs/dbraw/zinc/40/95/81/432409581.db2.gz XQFYDKDJZPMLAH-INIZCTEOSA-N 1 2 312.417 3.178 10 0 DGAELO Cc1cc(C)c(NC(=O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(C)c1 ZINC000255582532 432411457 /nfs/dbraw/zinc/41/14/57/432411457.db2.gz UXQANLNEYKMUGF-SJORKVTESA-N 1 2 316.445 3.194 10 0 DGAELO Cc1cc(C)c(NC(=O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(C)c1 ZINC000255582532 432411461 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CC(C)n1nnnc1C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000195060511 432598224 /nfs/dbraw/zinc/59/82/24/432598224.db2.gz UHLPABUERGHKIF-CQSZACIVSA-N 1 2 305.813 3.245 10 0 DGAELO CCO[C@@H]1C[C@H]([NH2+]c2ccc3c(c2)CCCO3)C12CCOCC2 ZINC000186485111 432601110 /nfs/dbraw/zinc/60/11/10/432601110.db2.gz FMZJVWHBZKRZNJ-ZWKOTPCHSA-N 1 2 317.429 3.398 10 0 DGAELO Cn1c(C[N@H+](C)Cc2ccc(F)cc2)nnc1-c1ccccc1 ZINC000195513857 432625902 /nfs/dbraw/zinc/62/59/02/432625902.db2.gz UDFWAIYPXFXEDZ-UHFFFAOYSA-N 1 2 310.376 3.253 10 0 DGAELO Cn1c(C[N@@H+](C)Cc2ccc(F)cc2)nnc1-c1ccccc1 ZINC000195513857 432625906 /nfs/dbraw/zinc/62/59/06/432625906.db2.gz UDFWAIYPXFXEDZ-UHFFFAOYSA-N 1 2 310.376 3.253 10 0 DGAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000177488817 432628971 /nfs/dbraw/zinc/62/89/71/432628971.db2.gz VTUJKRWPUXEKKY-GFCCVEGCSA-N 1 2 311.451 3.195 10 0 DGAELO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000177488817 432628975 /nfs/dbraw/zinc/62/89/75/432628975.db2.gz VTUJKRWPUXEKKY-GFCCVEGCSA-N 1 2 311.451 3.195 10 0 DGAELO CCCC[C@@H](CCC)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177593057 432641163 /nfs/dbraw/zinc/64/11/63/432641163.db2.gz KVBHLSKWISTQSI-HZPDHXFCSA-N 1 2 306.454 3.416 10 0 DGAELO O=C(c1cc2ccccc2s1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177760609 432656865 /nfs/dbraw/zinc/65/68/65/432656865.db2.gz CCUVJTASXKZQOU-CQSZACIVSA-N 1 2 311.410 3.403 10 0 DGAELO NC(=O)c1csc(C[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000177751122 432656926 /nfs/dbraw/zinc/65/69/26/432656926.db2.gz ZXNMMJZHBFWUAZ-MRXNPFEDSA-N 1 2 312.394 3.319 10 0 DGAELO Cc1ccc([C@@H]2CN(Cc3cn4cc(C)ccc4[nH+]3)CCO2)o1 ZINC000158826130 432658449 /nfs/dbraw/zinc/65/84/49/432658449.db2.gz HURCUAKGWJXRLW-KRWDZBQOSA-N 1 2 311.385 3.118 10 0 DGAELO Cc1ccc2cccc(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)c2n1 ZINC000177774859 432660162 /nfs/dbraw/zinc/66/01/62/432660162.db2.gz CPWKURAMMAMDFF-MRXNPFEDSA-N 1 2 320.396 3.045 10 0 DGAELO Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000178135134 432699239 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CC(C)Oc1ccc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)cc1Cl ZINC000188884416 432750065 /nfs/dbraw/zinc/75/00/65/432750065.db2.gz ZKKPKJUACJEAQO-KRWDZBQOSA-N 1 2 324.852 3.357 10 0 DGAELO C[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)[C@@H]1c1ccccc1 ZINC000266715777 432780814 /nfs/dbraw/zinc/78/08/14/432780814.db2.gz IVHGMPZWRDGRST-KDOFPFPSSA-N 1 2 324.428 3.122 10 0 DGAELO c1cn2cc(C[N@@H+]3CCOC4(C3)CCCCCC4)nc2s1 ZINC000178414982 432733446 /nfs/dbraw/zinc/73/34/46/432733446.db2.gz IEGVXPHVXXGUFS-UHFFFAOYSA-N 1 2 305.447 3.321 10 0 DGAELO c1cn2cc(C[N@H+]3CCOC4(C3)CCCCCC4)nc2s1 ZINC000178414982 432733448 /nfs/dbraw/zinc/73/34/48/432733448.db2.gz IEGVXPHVXXGUFS-UHFFFAOYSA-N 1 2 305.447 3.321 10 0 DGAELO CCc1cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nc(C)[nH+]1 ZINC000275726718 432744598 /nfs/dbraw/zinc/74/45/98/432744598.db2.gz UJKAHTVYMKOWIF-MRXNPFEDSA-N 1 2 311.433 3.291 10 0 DGAELO O[C@H](C[N@@H+]1CCO[C@H](c2ccccc2F)C1)c1ccc(F)cc1 ZINC000245403034 432826578 /nfs/dbraw/zinc/82/65/78/432826578.db2.gz 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ZINC000543448770 314135795 /nfs/dbraw/zinc/13/57/95/314135795.db2.gz XPNQKBCTLRTJRL-KRWDZBQOSA-N 1 2 306.369 3.373 10 0 DGAELO COC(=O)[C@H]([NH2+]Cc1ccc(-c2csc(C)n2)s1)C1CC1 ZINC000543768292 314157151 /nfs/dbraw/zinc/15/71/51/314157151.db2.gz MQERBTIEDOXNFZ-CQSZACIVSA-N 1 2 322.455 3.221 10 0 DGAELO CC(=O)c1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1C ZINC000545447974 314251863 /nfs/dbraw/zinc/25/18/63/314251863.db2.gz MCQVYNYVLFVSFG-UHFFFAOYSA-N 1 2 320.352 3.031 10 0 DGAELO c1csc(C2([NH2+]Cc3nnc(C4CC4)s3)CCCC2)n1 ZINC000562696044 315045119 /nfs/dbraw/zinc/04/51/19/315045119.db2.gz FDQOJUWWRVEENY-UHFFFAOYSA-N 1 2 306.460 3.431 10 0 DGAELO c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCO[C@@H](C4CCC4)C3)c21 ZINC000563317623 315102020 /nfs/dbraw/zinc/10/20/20/315102020.db2.gz IBNJFBVEXNNLFT-OAHLLOKOSA-N 1 2 308.385 3.116 10 0 DGAELO Cc1nc(Nc2ccc3ccc(=O)n(C)c3c2)c2c([nH+]1)CCCC2 ZINC000563928415 315147385 /nfs/dbraw/zinc/14/73/85/315147385.db2.gz IEAXUQJABMLGAC-UHFFFAOYSA-N 1 2 320.396 3.259 10 0 DGAELO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1nc(C2CC2)nn1C ZINC000577726088 316263973 /nfs/dbraw/zinc/26/39/73/316263973.db2.gz LZHCDOQWKUHXMP-CYBMUJFWSA-N 1 2 314.433 3.331 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)CCc1ccc2[nH]ccc2c1 ZINC000181019429 323244469 /nfs/dbraw/zinc/24/44/69/323244469.db2.gz PKQBQZFCEHFACB-UHFFFAOYSA-N 1 2 324.428 3.269 10 0 DGAELO CC(C)n1nnnc1C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000181630506 323261474 /nfs/dbraw/zinc/26/14/74/323261474.db2.gz RBQRAQFHXRRYKE-HNNXBMFYSA-N 1 2 323.391 3.409 10 0 DGAELO CNc1[nH+]cnc2c1cnn2Cc1ccc(Cl)c2cccnc12 ZINC000181839261 323271728 /nfs/dbraw/zinc/27/17/28/323271728.db2.gz WRJPYLPXPDUOIW-UHFFFAOYSA-N 1 2 324.775 3.118 10 0 DGAELO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000182799494 323312595 /nfs/dbraw/zinc/31/25/95/323312595.db2.gz QYWUTMHWSPGOKB-OAHLLOKOSA-N 1 2 308.809 3.356 10 0 DGAELO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000182799494 323312598 /nfs/dbraw/zinc/31/25/98/323312598.db2.gz QYWUTMHWSPGOKB-OAHLLOKOSA-N 1 2 308.809 3.356 10 0 DGAELO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cc(F)cc(F)c2)n1 ZINC000184161672 323357207 /nfs/dbraw/zinc/35/72/07/323357207.db2.gz ITJVFCKKTBCYDW-VIFPVBQESA-N 1 2 311.357 3.019 10 0 DGAELO Cc1ccc(C(=O)N2CCC(=O)[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000193938933 323469434 /nfs/dbraw/zinc/46/94/34/323469434.db2.gz BRMHHOUFDBHRQC-CQSZACIVSA-N 1 2 324.380 3.233 10 0 DGAELO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+](C)Cc1nncn1C ZINC000581397226 324113063 /nfs/dbraw/zinc/11/30/63/324113063.db2.gz MBYRDQIJNCHNIL-GHXNOFRVSA-N 1 2 324.350 3.369 10 0 DGAELO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+](C)Cc1nncn1C ZINC000581397226 324113066 /nfs/dbraw/zinc/11/30/66/324113066.db2.gz MBYRDQIJNCHNIL-GHXNOFRVSA-N 1 2 324.350 3.369 10 0 DGAELO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+](C)Cc1nncn1C ZINC000581397227 324113083 /nfs/dbraw/zinc/11/30/83/324113083.db2.gz MBYRDQIJNCHNIL-KPKJPENVSA-N 1 2 324.350 3.369 10 0 DGAELO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+](C)Cc1nncn1C ZINC000581397227 324113086 /nfs/dbraw/zinc/11/30/86/324113086.db2.gz MBYRDQIJNCHNIL-KPKJPENVSA-N 1 2 324.350 3.369 10 0 DGAELO O=C([C@H]1C=CC=[NH+]C1)C1(c2ccc(Cl)c(Cl)c2)CC(=O)C1 ZINC000584645400 337380311 /nfs/dbraw/zinc/38/03/11/337380311.db2.gz SBFUZZLSLWUHBL-JTQLQIEISA-N 1 2 322.191 3.420 10 0 DGAELO COC(=O)[C@@H]([NH2+]C[C@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000154509122 534279027 /nfs/dbraw/zinc/27/90/27/534279027.db2.gz SHBCPODRRTVYSM-KSSFIOAISA-N 1 2 313.397 3.303 10 0 DGAELO COC(=O)[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000435657610 534282689 /nfs/dbraw/zinc/28/26/89/534282689.db2.gz WMWHOMXVPQTGRI-GDLCADMTSA-N 1 2 314.212 3.391 10 0 DGAELO c1nc(N2CCSCC2)cc(NC2CCC3(CC3)CC2)[nH+]1 ZINC000433795896 534531026 /nfs/dbraw/zinc/53/10/26/534531026.db2.gz GSRCEWLOUOHNNP-UHFFFAOYSA-N 1 2 304.463 3.165 10 0 DGAELO c1nc(NC2CCC3(CC3)CC2)cc(N2CCSCC2)[nH+]1 ZINC000433795896 534531032 /nfs/dbraw/zinc/53/10/32/534531032.db2.gz GSRCEWLOUOHNNP-UHFFFAOYSA-N 1 2 304.463 3.165 10 0 DGAELO CCCC[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C1CCC1 ZINC000157338632 521222458 /nfs/dbraw/zinc/22/24/58/521222458.db2.gz FTAGIFJREWVUHQ-INIZCTEOSA-N 1 2 318.465 3.306 10 0 DGAELO Cc1nc(N[C@H]2CCN(c3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000302072819 534626590 /nfs/dbraw/zinc/62/65/90/534626590.db2.gz ZNUMCCPGWRUJQX-HNNXBMFYSA-N 1 2 308.429 3.355 10 0 DGAELO O=C(c1coc(C2CCCC2)n1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000328707059 534771620 /nfs/dbraw/zinc/77/16/20/534771620.db2.gz ANFAEIGSVPYSNZ-ZDUSSCGKSA-N 1 2 300.362 3.033 10 0 DGAELO Cn1ccnc1C[NH2+]Cc1cccc(Br)c1Cl ZINC000414476497 534790341 /nfs/dbraw/zinc/79/03/41/534790341.db2.gz AEONIJJALUQTLJ-UHFFFAOYSA-N 1 2 314.614 3.126 10 0 DGAELO Cc1c2c(sc1NC(=O)[C@@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000156461974 525937538 /nfs/dbraw/zinc/93/75/38/525937538.db2.gz TZGSKZPTFARTCW-GFCCVEGCSA-N 1 2 315.442 3.333 10 0 DGAELO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC(C)=C[C@H](C)C2)c1C ZINC000430282386 527169117 /nfs/dbraw/zinc/16/91/17/527169117.db2.gz 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ZINC000302067028 527810860 /nfs/dbraw/zinc/81/08/60/527810860.db2.gz BAXPPLMAFGERGH-HIFRSBDPSA-N 1 2 322.334 3.141 10 0 DGAELO CC[N@H+]1CC[C@@H](Nc2ncccn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302067028 527810863 /nfs/dbraw/zinc/81/08/63/527810863.db2.gz BAXPPLMAFGERGH-HIFRSBDPSA-N 1 2 322.334 3.141 10 0 DGAELO CC(C)n1cc[nH+]c1C[S@](=O)CCCOc1ccc(F)cc1 ZINC000176882765 528609080 /nfs/dbraw/zinc/60/90/80/528609080.db2.gz FFQODOXBOVJIOR-JOCHJYFZSA-N 1 2 324.421 3.321 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)C1(Cc2ccccc2)CC1 ZINC000177497479 528729341 /nfs/dbraw/zinc/72/93/41/528729341.db2.gz LOPBCJGRUKTJFA-UHFFFAOYSA-N 1 2 311.429 3.178 10 0 DGAELO CCO[C@@H](C)c1noc(CSCc2[nH+]ccn2C(C)C)n1 ZINC000175299886 529110482 /nfs/dbraw/zinc/11/04/82/529110482.db2.gz YPSBLHKBJFGXNL-NSHDSACASA-N 1 2 310.423 3.378 10 0 DGAELO COc1cccc2c1CC[N@H+](Cc1ncc(Cl)s1)CC2 ZINC000489553251 536942372 /nfs/dbraw/zinc/94/23/72/536942372.db2.gz DHQWAZCSQZFBGJ-UHFFFAOYSA-N 1 2 308.834 3.406 10 0 DGAELO 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Cn1cc(-c2cc(C[N@H+](C)Cc3ccccc3Cl)on2)cn1 ZINC000184971313 432450210 /nfs/dbraw/zinc/45/02/10/432450210.db2.gz YZDVTXFCVGENFL-UHFFFAOYSA-N 1 2 316.792 3.361 10 0 DGAELO Cn1cc(-c2cc(C[N@@H+](C)Cc3ccccc3Cl)on2)cn1 ZINC000184971313 432450216 /nfs/dbraw/zinc/45/02/16/432450216.db2.gz YZDVTXFCVGENFL-UHFFFAOYSA-N 1 2 316.792 3.361 10 0 DGAELO O=C(C/C=C\c1cccc(F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000255437843 432409255 /nfs/dbraw/zinc/40/92/55/432409255.db2.gz DPSUVKUGYKGNQL-RQOWECAXSA-N 1 2 313.376 3.289 10 0 DGAELO CN(C)c1noc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000192780601 432413004 /nfs/dbraw/zinc/41/30/04/432413004.db2.gz YXVXVZHDHDXEHF-MRXNPFEDSA-N 1 2 318.396 3.296 10 0 DGAELO CCn1cc[nH+]c1C[S@@](=O)[C@H]1CCc2c1cccc2Cl ZINC000153489136 432413129 /nfs/dbraw/zinc/41/31/29/432413129.db2.gz NRAFMEFIJCWJQU-XOBRGWDASA-N 1 2 308.834 3.493 10 0 DGAELO C[C@@H]1C[N@H+](Cc2nsc(N(C)C)n2)CC[C@@H]1c1ccccc1 ZINC000153479982 432413522 /nfs/dbraw/zinc/41/35/22/432413522.db2.gz 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CC(C)OCc1ccc(NC(=O)[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000176111893 432493673 /nfs/dbraw/zinc/49/36/73/432493673.db2.gz IHBVOGSCKSROTR-INIZCTEOSA-N 1 2 313.401 3.324 10 0 DGAELO Cc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000176335650 432512826 /nfs/dbraw/zinc/51/28/26/432512826.db2.gz JZNPEOFLIQWTAF-CYBMUJFWSA-N 1 2 302.353 3.027 10 0 DGAELO Cc1nc(-c2cccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)c2)cs1 ZINC000262693847 432498567 /nfs/dbraw/zinc/49/85/67/432498567.db2.gz AWIUXDAHHKUJPU-GFCCVEGCSA-N 1 2 323.368 3.054 10 0 DGAELO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nccn1C(C)C)c1ccccc1 ZINC000176220436 432500732 /nfs/dbraw/zinc/50/07/32/432500732.db2.gz OIAGCVYCIGTVOL-WMLDXEAASA-N 1 2 315.417 3.104 10 0 DGAELO CC(C)C[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000185066502 432462248 /nfs/dbraw/zinc/46/22/48/432462248.db2.gz UULCALYQROUTHX-BBRMVZONSA-N 1 2 317.408 3.447 10 0 DGAELO CCCC1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCC1 ZINC000155335515 432551271 /nfs/dbraw/zinc/55/12/71/432551271.db2.gz 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C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc2ccccc2c1 ZINC000155764654 432572972 /nfs/dbraw/zinc/57/29/72/432572972.db2.gz FIIZUNSBIUQVOP-RDTXWAMCSA-N 1 2 319.408 3.476 10 0 DGAELO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1c1ccccc1 ZINC000263790212 432577521 /nfs/dbraw/zinc/57/75/21/432577521.db2.gz NGVUNEWEEIDDFI-KRWDZBQOSA-N 1 2 324.428 3.266 10 0 DGAELO CCOc1ccc([NH2+][C@H]2C[C@H](OCC)C23CCOCC3)cc1 ZINC000186444010 432596508 /nfs/dbraw/zinc/59/65/08/432596508.db2.gz RXGKVNGUTHJLAT-IRXDYDNUSA-N 1 2 305.418 3.471 10 0 DGAELO CCc1nnc(C[N@H+](C)Cc2csc3ccccc23)n1C ZINC000195079575 432599942 /nfs/dbraw/zinc/59/99/42/432599942.db2.gz CPJLBNTXYLUDDW-UHFFFAOYSA-N 1 2 300.431 3.224 10 0 DGAELO CCc1nnc(C[N@@H+](C)Cc2csc3ccccc23)n1C ZINC000195079575 432599944 /nfs/dbraw/zinc/59/99/44/432599944.db2.gz CPJLBNTXYLUDDW-UHFFFAOYSA-N 1 2 300.431 3.224 10 0 DGAELO Cn1c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)nnc1C1CC1 ZINC000195096082 432603047 /nfs/dbraw/zinc/60/30/47/432603047.db2.gz MKFQJCHDUSOYRQ-HNNXBMFYSA-N 1 2 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ZINC000370158789 293159400 /nfs/dbraw/zinc/15/94/00/293159400.db2.gz DYSZABIBUGJCOS-RBSFLKMASA-N 1 2 315.461 3.287 10 0 DGAELO CC(=CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1 ZINC000372328859 293234996 /nfs/dbraw/zinc/23/49/96/293234996.db2.gz AKIBIVKVWPWZKR-OIOXUXFSSA-N 1 2 315.804 3.140 10 0 DGAELO CC(=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Cl)c1 ZINC000372328859 293234998 /nfs/dbraw/zinc/23/49/98/293234998.db2.gz AKIBIVKVWPWZKR-OIOXUXFSSA-N 1 2 315.804 3.140 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3ccccc3C1)C2 ZINC000372387637 293242208 /nfs/dbraw/zinc/24/22/08/293242208.db2.gz RWLCKSLPDHXMGJ-OAHLLOKOSA-N 1 2 323.440 3.223 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3ccccc3C1)CC2 ZINC000372387637 293242210 /nfs/dbraw/zinc/24/22/10/293242210.db2.gz RWLCKSLPDHXMGJ-OAHLLOKOSA-N 1 2 323.440 3.223 10 0 DGAELO Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000372393897 293242757 /nfs/dbraw/zinc/24/27/57/293242757.db2.gz JAAWXTUVLBGKRL-OAHLLOKOSA-N 1 2 311.429 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KBLHTCAOEQAZJU-NSHDSACASA-N 1 2 302.237 3.121 10 0 DGAELO c1cn(C2CCCC2)nc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339773465 433771224 /nfs/dbraw/zinc/77/12/24/433771224.db2.gz RSCWYLHOWWUPNZ-GOSISDBHSA-N 1 2 303.450 3.389 10 0 DGAELO c1cn(C2CCCC2)nc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339773465 433771238 /nfs/dbraw/zinc/77/12/38/433771238.db2.gz RSCWYLHOWWUPNZ-GOSISDBHSA-N 1 2 303.450 3.389 10 0 DGAELO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c[nH+]1 ZINC000456843435 433857435 /nfs/dbraw/zinc/85/74/35/433857435.db2.gz QOEAAMNCCUWSIE-GOEBONIOSA-N 1 2 316.351 3.397 10 0 DGAELO CC(C)c1nc(NCCCN2CCOC2=O)cc(C(C)(C)C)[nH+]1 ZINC000302874798 433896096 /nfs/dbraw/zinc/89/60/96/433896096.db2.gz DPSNVEFNOKAZOR-UHFFFAOYSA-N 1 2 320.437 3.152 10 0 DGAELO CC(C)c1nc(NCC2(C)OCCCO2)cc(C(C)(C)C)[nH+]1 ZINC000302858897 433886539 /nfs/dbraw/zinc/88/65/39/433886539.db2.gz TXDZNOVRTROMLY-UHFFFAOYSA-N 1 2 307.438 3.463 10 0 DGAELO CC(C)n1cc[nH+]c1CN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000340235492 434003660 /nfs/dbraw/zinc/00/36/60/434003660.db2.gz GSTWWSIKBPYRGS-CZUORRHYSA-N 1 2 321.371 3.050 10 0 DGAELO Cn1cc(Br)c(C[NH2+][C@H]2CCc3c2cccc3F)n1 ZINC000393350558 293830583 /nfs/dbraw/zinc/83/05/83/293830583.db2.gz RXWIMHWGSSDTKY-ZDUSSCGKSA-N 1 2 324.197 3.099 10 0 DGAELO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000363443473 434055638 /nfs/dbraw/zinc/05/56/38/434055638.db2.gz GAFPJIUMKXJBRJ-MPNRVQBSSA-N 1 2 309.413 3.230 10 0 DGAELO c1c(C[NH+]2CCC(OC3CCCCC3)CC2)nnn1CC1CC1 ZINC000450325436 434107432 /nfs/dbraw/zinc/10/74/32/434107432.db2.gz UHQGJHMNFUBAJL-UHFFFAOYSA-N 1 2 318.465 3.002 10 0 DGAELO COC(=O)[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000513457751 294473782 /nfs/dbraw/zinc/47/37/82/294473782.db2.gz LBRDLHJEKWMJNY-INIZCTEOSA-N 1 2 305.393 3.179 10 0 DGAELO COC(=O)[C@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000513451574 294473930 /nfs/dbraw/zinc/47/39/30/294473930.db2.gz IMDPDGVITSHYJG-CQSZACIVSA-N 1 2 315.335 3.179 10 0 DGAELO COC(=O)[C@@H]([NH2+]CCCc1ccc(Cl)cc1Cl)C1CC1 ZINC000513458573 294474159 /nfs/dbraw/zinc/47/41/59/294474159.db2.gz RYDGQSXMGNHQTN-AWEZNQCLSA-N 1 2 316.228 3.467 10 0 DGAELO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)c1ncn(C)n1 ZINC000437034007 434207835 /nfs/dbraw/zinc/20/78/35/434207835.db2.gz DCGBMSAJJYAJIM-NXEZZACHSA-N 1 2 314.311 3.126 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCc1cccs1)C2 ZINC000364068065 434221748 /nfs/dbraw/zinc/22/17/48/434221748.db2.gz IBNRKASNHULSSR-LBPRGKRZSA-N 1 2 317.458 3.058 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCc1cccs1)CC2 ZINC000364068065 434221758 /nfs/dbraw/zinc/22/17/58/434221758.db2.gz IBNRKASNHULSSR-LBPRGKRZSA-N 1 2 317.458 3.058 10 0 DGAELO CC(=O)c1cccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000450499959 434229628 /nfs/dbraw/zinc/22/96/28/434229628.db2.gz LXVKPFHQDYNNLK-IBGZPJMESA-N 1 2 311.381 3.168 10 0 DGAELO CC(=O)c1cccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000450499959 434229638 /nfs/dbraw/zinc/22/96/38/434229638.db2.gz LXVKPFHQDYNNLK-IBGZPJMESA-N 1 2 311.381 3.168 10 0 DGAELO COc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)s2)cc1OC ZINC000450672864 434333210 /nfs/dbraw/zinc/33/32/10/434333210.db2.gz IOFGRQUICGWAHP-SNVBAGLBSA-N 1 2 319.430 3.284 10 0 DGAELO Cc1cc([C@H](C)[NH2+]Cc2nn(C)cc2Br)cs1 ZINC000393322118 434389491 /nfs/dbraw/zinc/38/94/91/434389491.db2.gz NCCKXZWOMSAUED-VIFPVBQESA-N 1 2 314.252 3.403 10 0 DGAELO C[C@]1(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC=CCC1 ZINC000457777310 434341805 /nfs/dbraw/zinc/34/18/05/434341805.db2.gz QROSPOQJBHTTCU-IBGZPJMESA-N 1 2 324.428 3.229 10 0 DGAELO Cc1c2ccccc2oc1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366177951 434350209 /nfs/dbraw/zinc/35/02/09/434350209.db2.gz FOHFKVSZHHXOEE-ZDUSSCGKSA-N 1 2 309.369 3.201 10 0 DGAELO Cc1c2ccccc2oc1CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366177951 434350212 /nfs/dbraw/zinc/35/02/12/434350212.db2.gz FOHFKVSZHHXOEE-ZDUSSCGKSA-N 1 2 309.369 3.201 10 0 DGAELO CC1(C)C[N@H+](Cc2nc(C3CCCC3)no2)[C@H]1[C@@H]1CCCO1 ZINC000329775764 434478663 /nfs/dbraw/zinc/47/86/63/434478663.db2.gz JLLUUAXQYFSKDK-ZFWWWQNUSA-N 1 2 305.422 3.117 10 0 DGAELO CC1(C)C[N@@H+](Cc2nc(C3CCCC3)no2)[C@H]1[C@@H]1CCCO1 ZINC000329775764 434478671 /nfs/dbraw/zinc/47/86/71/434478671.db2.gz JLLUUAXQYFSKDK-ZFWWWQNUSA-N 1 2 305.422 3.117 10 0 DGAELO Cc1ccnc(C[NH2+][C@H](C)c2ccccc2Br)n1 ZINC000341071827 434531930 /nfs/dbraw/zinc/53/19/30/434531930.db2.gz RVILFOTYEPNVGO-LLVKDONJSA-N 1 2 306.207 3.398 10 0 DGAELO CC(C)(C)OC(=O)N1CC[C@H](c2ccc3c([nH+]2)NCCC3)C1 ZINC000407986037 434534369 /nfs/dbraw/zinc/53/43/69/434534369.db2.gz ZUOUKZCZLOGUCZ-ZDUSSCGKSA-N 1 2 303.406 3.164 10 0 DGAELO CC(C)[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)C(F)(F)F ZINC000527039987 295072846 /nfs/dbraw/zinc/07/28/46/295072846.db2.gz STHGOBIWMHBRSW-KYHHOPLUSA-N 1 2 307.278 3.399 10 0 DGAELO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408406390 434570335 /nfs/dbraw/zinc/57/03/35/434570335.db2.gz MWZALEXLNSAMAA-ACJLOTCBSA-N 1 2 324.428 3.232 10 0 DGAELO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408406390 434570342 /nfs/dbraw/zinc/57/03/42/434570342.db2.gz MWZALEXLNSAMAA-ACJLOTCBSA-N 1 2 324.428 3.232 10 0 DGAELO Cc1cc(C)c(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c(C)[nH+]1 ZINC000408409449 434570560 /nfs/dbraw/zinc/57/05/60/434570560.db2.gz YJRGRZFSPFYPJV-HNNXBMFYSA-N 1 2 313.405 3.489 10 0 DGAELO c1cn(-c2ccc(-c3noc([C@@H]4CCCC45CC5)n3)cn2)c[nH+]1 ZINC000528077782 295173532 /nfs/dbraw/zinc/17/35/32/295173532.db2.gz AXGBUHBVKVKRCA-ZDUSSCGKSA-N 1 2 307.357 3.365 10 0 DGAELO Cc1cc(C)c(NC(=O)N2CCC[C@H]2c2cnn(C)c2)c(C)[nH+]1 ZINC000408461592 434578561 /nfs/dbraw/zinc/57/85/61/434578561.db2.gz ATDQGCKXSIVSPB-HNNXBMFYSA-N 1 2 313.405 3.109 10 0 DGAELO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)n1 ZINC000171860055 295298210 /nfs/dbraw/zinc/29/82/10/295298210.db2.gz HVTLZQGVPDXWOT-QGZVFWFLSA-N 1 2 312.413 3.442 10 0 DGAELO COc1cccc(C[N@H+]2C[C@H](c3ccccc3)OCC2(C)C)n1 ZINC000171860055 295298211 /nfs/dbraw/zinc/29/82/11/295298211.db2.gz HVTLZQGVPDXWOT-QGZVFWFLSA-N 1 2 312.413 3.442 10 0 DGAELO CCOCc1nc([C@@H](C)[NH2+]Cc2ccc(C3CC3)cc2)no1 ZINC000459557186 434606879 /nfs/dbraw/zinc/60/68/79/434606879.db2.gz CVDDCKWUOBOXLT-GFCCVEGCSA-N 1 2 301.390 3.334 10 0 DGAELO CCOC[C@H]1CCCC[N@@H+]1Cc1noc(-c2ccccc2)n1 ZINC000459722674 434676880 /nfs/dbraw/zinc/67/68/80/434676880.db2.gz UYXZMZQYCXXJEZ-OAHLLOKOSA-N 1 2 301.390 3.128 10 0 DGAELO CCOC[C@H]1CCCC[N@H+]1Cc1noc(-c2ccccc2)n1 ZINC000459722674 434676888 /nfs/dbraw/zinc/67/68/88/434676888.db2.gz UYXZMZQYCXXJEZ-OAHLLOKOSA-N 1 2 301.390 3.128 10 0 DGAELO Cc1ccnc(C2CC[NH+]([C@@H](C)c3nc(C(C)C)no3)CC2)n1 ZINC000371835380 434756442 /nfs/dbraw/zinc/75/64/42/434756442.db2.gz SILMBTXEKNVSGU-ZDUSSCGKSA-N 1 2 315.421 3.232 10 0 DGAELO c1ccc2c(c1)[nH]c1c2CN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000556842303 435030472 /nfs/dbraw/zinc/03/04/72/435030472.db2.gz QSBSTJDQGLWTJG-UHFFFAOYSA-N 1 2 305.385 3.095 10 0 DGAELO c1ccc2c(c1)[nH]c1c2CN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000556842303 435030476 /nfs/dbraw/zinc/03/04/76/435030476.db2.gz QSBSTJDQGLWTJG-UHFFFAOYSA-N 1 2 305.385 3.095 10 0 DGAELO C[C@@H](O)C[N@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000524971693 435000040 /nfs/dbraw/zinc/00/00/40/435000040.db2.gz UYDOTEOCMCECNA-OAHLLOKOSA-N 1 2 323.396 3.120 10 0 DGAELO C[C@@H](O)C[N@@H+](Cc1noc(-c2ccccc2)n1)Cc1ccccc1 ZINC000524971693 435000043 /nfs/dbraw/zinc/00/00/43/435000043.db2.gz UYDOTEOCMCECNA-OAHLLOKOSA-N 1 2 323.396 3.120 10 0 DGAELO CC(C)OC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000531164815 435076934 /nfs/dbraw/zinc/07/69/34/435076934.db2.gz AXMNZQVFCGEBCI-UHFFFAOYSA-N 1 2 301.390 3.126 10 0 DGAELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC(C)C)c1 ZINC000533057144 435207408 /nfs/dbraw/zinc/20/74/08/435207408.db2.gz WMGGVZBIEMXHFU-KRWDZBQOSA-N 1 2 305.418 3.390 10 0 DGAELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OC(C)C)c1 ZINC000533057144 435207412 /nfs/dbraw/zinc/20/74/12/435207412.db2.gz WMGGVZBIEMXHFU-KRWDZBQOSA-N 1 2 305.418 3.390 10 0 DGAELO CC(C)c1noc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000532380913 435162846 /nfs/dbraw/zinc/16/28/46/435162846.db2.gz DIQHHRNOXGYICM-ZDUSSCGKSA-N 1 2 323.437 3.137 10 0 DGAELO CC(C)c1noc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000532380913 435162851 /nfs/dbraw/zinc/16/28/51/435162851.db2.gz DIQHHRNOXGYICM-ZDUSSCGKSA-N 1 2 323.437 3.137 10 0 DGAELO c1c(CNc2ccc(N3CCCC3)c[nH+]2)[nH]nc1-c1ccccc1 ZINC000564396876 435271900 /nfs/dbraw/zinc/27/19/00/435271900.db2.gz DESCCYBVMLZUSO-UHFFFAOYSA-N 1 2 319.412 3.684 10 0 DGAELO CC[C@H](C[NH2+][C@@H](C(=O)OC)C1CC1)Oc1ccccc1Cl ZINC000513426338 435389444 /nfs/dbraw/zinc/38/94/44/435389444.db2.gz GZQKNUIEXKXWNT-IUODEOHRSA-N 1 2 311.809 3.039 10 0 DGAELO c1ccc(-c2noc(C[N@@H+]3CCOCC34CCCCC4)n2)cc1 ZINC000515127835 435465740 /nfs/dbraw/zinc/46/57/40/435465740.db2.gz RPDKHUFJNSCZCI-UHFFFAOYSA-N 1 2 313.401 3.272 10 0 DGAELO c1ccc(-c2noc(C[N@H+]3CCOCC34CCCCC4)n2)cc1 ZINC000515127835 435465744 /nfs/dbraw/zinc/46/57/44/435465744.db2.gz RPDKHUFJNSCZCI-UHFFFAOYSA-N 1 2 313.401 3.272 10 0 DGAELO c1ccc(COc2ccc[nH+]c2N2CCC3(CCO3)CC2)cc1 ZINC000548819422 435721033 /nfs/dbraw/zinc/72/10/33/435721033.db2.gz RVRQZDHYEMDBSE-UHFFFAOYSA-N 1 2 310.397 3.420 10 0 DGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCC1CCCC1)C2 ZINC000171867909 312733270 /nfs/dbraw/zinc/73/32/70/312733270.db2.gz QCMXHRNLGYZYNG-UHFFFAOYSA-N 1 2 318.465 3.192 10 0 DGAELO C[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)c1ccccc1-n1cccn1 ZINC000177335390 312780715 /nfs/dbraw/zinc/78/07/15/312780715.db2.gz BEFLMUQQVVYIRB-KGLIPLIRSA-N 1 2 315.417 3.253 10 0 DGAELO CC(C)(C)n1cc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)nn1 ZINC000377206650 313028926 /nfs/dbraw/zinc/02/89/26/313028926.db2.gz JJYFTPWJBPEBJP-MRXNPFEDSA-N 1 2 316.474 3.323 10 0 DGAELO CC(C)(C)n1cc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)nn1 ZINC000377206650 313028928 /nfs/dbraw/zinc/02/89/28/313028928.db2.gz JJYFTPWJBPEBJP-MRXNPFEDSA-N 1 2 316.474 3.323 10 0 DGAELO c1ccc(-c2noc(C[NH2+][C@@H](c3ccccn3)C3CCC3)n2)nc1 ZINC000528651365 313051893 /nfs/dbraw/zinc/05/18/93/313051893.db2.gz 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CCC[C@H]1C[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CCO1 ZINC000132425195 432049345 /nfs/dbraw/zinc/04/93/45/432049345.db2.gz DKYMUMDMFZTTFM-INIZCTEOSA-N 1 2 304.365 3.482 10 0 DGAELO CC(C)N1CCC[C@@H]([N@@H+]2CCCC[C@@H]2c2nccs2)C1=O ZINC000179306723 432053991 /nfs/dbraw/zinc/05/39/91/432053991.db2.gz XACYULYTINWYSW-ZIAGYGMSSA-N 1 2 307.463 3.070 10 0 DGAELO CC(C)N1CCC[C@@H]([N@H+]2CCCC[C@@H]2c2nccs2)C1=O ZINC000179306723 432053993 /nfs/dbraw/zinc/05/39/93/432053993.db2.gz XACYULYTINWYSW-ZIAGYGMSSA-N 1 2 307.463 3.070 10 0 DGAELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080912457 192200452 /nfs/dbraw/zinc/20/04/52/192200452.db2.gz HKGPXLMYPBTSPO-OWYJLGKBSA-N 1 2 323.868 3.250 10 0 DGAELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080912457 192200454 /nfs/dbraw/zinc/20/04/54/192200454.db2.gz HKGPXLMYPBTSPO-OWYJLGKBSA-N 1 2 323.868 3.250 10 0 DGAELO CN(C)c1[nH+]cccc1CNC(=O)C/C=C/c1ccc(F)cc1 ZINC000081541551 192286276 /nfs/dbraw/zinc/28/62/76/192286276.db2.gz 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CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@H]1c1cocn1 ZINC000616624650 400186172 /nfs/dbraw/zinc/18/61/72/400186172.db2.gz FLSRMDHTAMKKEM-AWEZNQCLSA-N 1 2 309.410 3.116 10 0 DGAELO COC(=O)c1ccc2c(c1)C[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000609315965 400159364 /nfs/dbraw/zinc/15/93/64/400159364.db2.gz MCJZIGDWGFFSJT-UHFFFAOYSA-N 1 2 315.344 3.007 10 0 DGAELO COC(=O)c1ccc2c(c1)C[N@H+](CCOc1ccc(F)cc1)C2 ZINC000609315965 400159369 /nfs/dbraw/zinc/15/93/69/400159369.db2.gz MCJZIGDWGFFSJT-UHFFFAOYSA-N 1 2 315.344 3.007 10 0 DGAELO O=C(NCCCCn1cc[nH+]c1)c1c[nH]c2cc(Cl)ccc12 ZINC000588927450 400246575 /nfs/dbraw/zinc/24/65/75/400246575.db2.gz XCWHXOGKZLFDPB-UHFFFAOYSA-N 1 2 316.792 3.228 10 0 DGAELO FC(F)(F)c1ccc(O[C@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000092964049 400217522 /nfs/dbraw/zinc/21/75/22/400217522.db2.gz ALENBOFTBMRQJV-LBPRGKRZSA-N 1 2 309.291 3.153 10 0 DGAELO Cc1ccc(-c2noc(C[N@@H+](C)[C@@H](CO)c3ccccc3)n2)cc1 ZINC000590622436 400404346 /nfs/dbraw/zinc/40/43/46/400404346.db2.gz 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COc1ccccc1C1(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000603884478 400728398 /nfs/dbraw/zinc/72/83/98/400728398.db2.gz FWNSOWPSVRMGSS-UHFFFAOYSA-N 1 2 307.353 3.013 10 0 DGAELO CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000603882754 400728962 /nfs/dbraw/zinc/72/89/62/400728962.db2.gz XARTXMVEXANTAN-UHFFFAOYSA-N 1 2 322.368 3.181 10 0 DGAELO CC(C)(C)c1nc(C(=O)Nc2ccc3[nH+]ccn3c2)cs1 ZINC000603886295 400730117 /nfs/dbraw/zinc/73/01/17/400730117.db2.gz YDNRBJJFWWHQCG-UHFFFAOYSA-N 1 2 300.387 3.341 10 0 DGAELO O=C(CCCOc1cccc(F)c1)Nc1ccc2[nH+]ccn2c1 ZINC000603808639 400716537 /nfs/dbraw/zinc/71/65/37/400716537.db2.gz HUHRTSZRZCKJTJ-UHFFFAOYSA-N 1 2 313.332 3.271 10 0 DGAELO Cc1c(Cl)cccc1OCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000605513272 400870423 /nfs/dbraw/zinc/87/04/23/400870423.db2.gz FEPYXVOWVMEULK-UHFFFAOYSA-N 1 2 315.760 3.314 10 0 DGAELO O=C(Cc1csc(-c2ccoc2)n1)Nc1ccc2[nH+]ccn2c1 ZINC000606198453 400894040 /nfs/dbraw/zinc/89/40/40/400894040.db2.gz BVZMBFJSYDCGBG-UHFFFAOYSA-N 1 2 324.365 3.232 10 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Cc1oc2ccccc2c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000185933970 165022131 /nfs/dbraw/zinc/02/21/31/165022131.db2.gz JUSNSYRGAWWEQC-AWEZNQCLSA-N 1 2 321.380 3.145 10 0 DGAELO CCO[C@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)C12CCOCC2 ZINC000186475714 165045237 /nfs/dbraw/zinc/04/52/37/165045237.db2.gz CCAGMKTUKIONFD-SJORKVTESA-N 1 2 304.434 3.139 10 0 DGAELO CCO[C@H]1C[C@@H]([NH2+]c2ccc(N(C)C)cc2)C12CCOCC2 ZINC000186475714 165045240 /nfs/dbraw/zinc/04/52/40/165045240.db2.gz CCAGMKTUKIONFD-SJORKVTESA-N 1 2 304.434 3.139 10 0 DGAELO C[C@H](c1cccc(Cl)c1F)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000187106635 165077314 /nfs/dbraw/zinc/07/73/14/165077314.db2.gz KCYWUUAAEMMFET-GFCCVEGCSA-N 1 2 322.815 3.096 10 0 DGAELO Cc1ccc(C[S@](=O)Cc2nc(C3CCCC3)no2)c(C)[nH+]1 ZINC000187174281 165080330 /nfs/dbraw/zinc/08/03/30/165080330.db2.gz YPSGPSZPQMLWMX-QFIPXVFZSA-N 1 2 319.430 3.188 10 0 DGAELO Cc1ccc(CSc2nnc(-c3ccco3)n2C)c(C)[nH+]1 ZINC000187306171 165085714 /nfs/dbraw/zinc/08/57/14/165085714.db2.gz 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165243702 /nfs/dbraw/zinc/24/37/02/165243702.db2.gz JWRMMXIRGALLRV-GFCCVEGCSA-N 1 2 324.222 3.384 10 0 DGAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(Br)o3)C2)c1 ZINC000191344208 165243704 /nfs/dbraw/zinc/24/37/04/165243704.db2.gz JWRMMXIRGALLRV-GFCCVEGCSA-N 1 2 324.222 3.384 10 0 DGAELO c1c[nH+]c([C@@H](N[C@@H]2CCOc3ccccc32)c2cccnc2)[nH]1 ZINC000194964970 165357908 /nfs/dbraw/zinc/35/79/08/165357908.db2.gz NXRPUHVAEAJLLY-WBVHZDCISA-N 1 2 306.369 3.008 10 0 DGAELO c1c[nH+]c([C@H](N[C@H]2CCOc3ccccc32)c2cccnc2)[nH]1 ZINC000194965017 165358312 /nfs/dbraw/zinc/35/83/12/165358312.db2.gz NXRPUHVAEAJLLY-DOTOQJQBSA-N 1 2 306.369 3.008 10 0 DGAELO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(C3CC3)n2C)cc1 ZINC000195025979 165359454 /nfs/dbraw/zinc/35/94/54/165359454.db2.gz KEWKSCZWKQOAKC-MRXNPFEDSA-N 1 2 312.417 3.038 10 0 DGAELO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(C3CC3)n2C)cc1 ZINC000195025979 165359457 /nfs/dbraw/zinc/35/94/57/165359457.db2.gz KEWKSCZWKQOAKC-MRXNPFEDSA-N 1 2 312.417 3.038 10 0 DGAELO Cc1csc([C@H]2CCC[N@@H+](Cc3ncc(Cl)n3C)C2)n1 ZINC000195323689 165365164 /nfs/dbraw/zinc/36/51/64/165365164.db2.gz UZCOVTOOFNGVIT-NSHDSACASA-N 1 2 310.854 3.218 10 0 DGAELO Cc1csc([C@H]2CCC[N@H+](Cc3ncc(Cl)n3C)C2)n1 ZINC000195323689 165365168 /nfs/dbraw/zinc/36/51/68/165365168.db2.gz UZCOVTOOFNGVIT-NSHDSACASA-N 1 2 310.854 3.218 10 0 DGAELO Cc1csc([C@@H]2CCC[N@@H+](Cc3ncc(Cl)n3C)C2)n1 ZINC000195323679 165365412 /nfs/dbraw/zinc/36/54/12/165365412.db2.gz UZCOVTOOFNGVIT-LLVKDONJSA-N 1 2 310.854 3.218 10 0 DGAELO Cc1csc([C@@H]2CCC[N@H+](Cc3ncc(Cl)n3C)C2)n1 ZINC000195323679 165365413 /nfs/dbraw/zinc/36/54/13/165365413.db2.gz UZCOVTOOFNGVIT-LLVKDONJSA-N 1 2 310.854 3.218 10 0 DGAELO CC(C)CN(C(=O)C[N@@H+]1CCCC[C@H]1c1nccs1)C1CC1 ZINC000195371091 165368884 /nfs/dbraw/zinc/36/88/84/165368884.db2.gz YYXBOVCMDPJDEP-HNNXBMFYSA-N 1 2 321.490 3.317 10 0 DGAELO CC(C)CN(C(=O)C[N@H+]1CCCC[C@H]1c1nccs1)C1CC1 ZINC000195371091 165368886 /nfs/dbraw/zinc/36/88/86/165368886.db2.gz YYXBOVCMDPJDEP-HNNXBMFYSA-N 1 2 321.490 3.317 10 0 DGAELO CC(C)OCC[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195399233 165368928 /nfs/dbraw/zinc/36/89/28/165368928.db2.gz DYPBZEKMNDKYGK-ZDUSSCGKSA-N 1 2 312.479 3.239 10 0 DGAELO CC(C)OCC[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195399233 165368929 /nfs/dbraw/zinc/36/89/29/165368929.db2.gz DYPBZEKMNDKYGK-ZDUSSCGKSA-N 1 2 312.479 3.239 10 0 DGAELO Fc1ccc(OCCC[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000195521466 165374168 /nfs/dbraw/zinc/37/41/68/165374168.db2.gz CNGAWYQCRHLTOP-HNNXBMFYSA-N 1 2 322.405 3.125 10 0 DGAELO Fc1ccc(OCCC[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000195521466 165374170 /nfs/dbraw/zinc/37/41/70/165374170.db2.gz CNGAWYQCRHLTOP-HNNXBMFYSA-N 1 2 322.405 3.125 10 0 DGAELO CC1(C)CCCC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000366024077 287201190 /nfs/dbraw/zinc/20/11/90/287201190.db2.gz LTWZZCYGQMTEJT-HNNXBMFYSA-N 1 2 303.450 3.095 10 0 DGAELO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000128957761 196007528 /nfs/dbraw/zinc/00/75/28/196007528.db2.gz SEESIQUSYFMKHN-HNNXBMFYSA-N 1 2 322.412 3.286 10 0 DGAELO COc1cccc2c(N3CCC(c4nc[nH]n4)CC3)cc(C)[nH+]c12 ZINC000129196142 196028249 /nfs/dbraw/zinc/02/82/49/196028249.db2.gz AQAYGQISGIZKTC-UHFFFAOYSA-N 1 2 323.400 3.054 10 0 DGAELO Cc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000171619163 432152028 /nfs/dbraw/zinc/15/20/28/432152028.db2.gz GWNJWGZVHAZSTI-UHFFFAOYSA-N 1 2 319.408 3.473 10 0 DGAELO Cc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000171619163 432152033 /nfs/dbraw/zinc/15/20/33/432152033.db2.gz GWNJWGZVHAZSTI-UHFFFAOYSA-N 1 2 319.408 3.473 10 0 DGAELO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614595 432152095 /nfs/dbraw/zinc/15/20/95/432152095.db2.gz MLLUQPYOQIFYBM-AWEZNQCLSA-N 1 2 313.445 3.077 10 0 DGAELO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614595 432152098 /nfs/dbraw/zinc/15/20/98/432152098.db2.gz MLLUQPYOQIFYBM-AWEZNQCLSA-N 1 2 313.445 3.077 10 0 DGAELO C[C@@H]([NH2+]Cc1nsc(N(C)C)n1)c1ccc2c(c1)CCCC2 ZINC000181935080 432150957 /nfs/dbraw/zinc/15/09/57/432150957.db2.gz CRFWBSJVPYLKNB-GFCCVEGCSA-N 1 2 316.474 3.334 10 0 DGAELO CCCCCNC(=O)[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614847 432153205 /nfs/dbraw/zinc/15/32/05/432153205.db2.gz YERPVOPHSAJFRU-AWEZNQCLSA-N 1 2 313.445 3.221 10 0 DGAELO CCCCCNC(=O)[C@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614847 432153209 /nfs/dbraw/zinc/15/32/09/432153209.db2.gz YERPVOPHSAJFRU-AWEZNQCLSA-N 1 2 313.445 3.221 10 0 DGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182149413 432162273 /nfs/dbraw/zinc/16/22/73/432162273.db2.gz KVLGENOPIDJQKT-HUUCEWRRSA-N 1 2 316.380 3.064 10 0 DGAELO Cc1ccc(C[C@@H](C)C(=O)NCc2[nH+]ccn2CC(C)C)cc1 ZINC000182154030 432162692 /nfs/dbraw/zinc/16/26/92/432162692.db2.gz LZTFLWKGAFCCDB-MRXNPFEDSA-N 1 2 313.445 3.343 10 0 DGAELO C[C@@H]([NH2+]C/C(Cl)=C/Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000182186975 432165271 /nfs/dbraw/zinc/16/52/71/432165271.db2.gz BSZIDGKSSLAKJI-MDXIRLPMSA-N 1 2 308.230 3.060 10 0 DGAELO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246824156 432168534 /nfs/dbraw/zinc/16/85/34/432168534.db2.gz CCKZCMMSODQLDT-YPMHNXCESA-N 1 2 319.792 3.492 10 0 DGAELO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246824156 432168540 /nfs/dbraw/zinc/16/85/40/432168540.db2.gz CCKZCMMSODQLDT-YPMHNXCESA-N 1 2 319.792 3.492 10 0 DGAELO Cc1cc(NCc2ccc(CO)c(F)c2)nc(-c2ccncc2)[nH+]1 ZINC000171830978 432176656 /nfs/dbraw/zinc/17/66/56/432176656.db2.gz GSBDOGOXBQRRRD-UHFFFAOYSA-N 1 2 324.359 3.091 10 0 DGAELO Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000171891232 432181596 /nfs/dbraw/zinc/18/15/96/432181596.db2.gz JLXUMAPXYSRTQB-DLBZAZTESA-N 1 2 319.408 3.265 10 0 DGAELO CCn1cc[nH+]c1CS[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000190805999 432190161 /nfs/dbraw/zinc/19/01/61/432190161.db2.gz RQAFXYRJNHIQJY-LBPRGKRZSA-N 1 2 324.471 3.301 10 0 DGAELO CCn1cc([C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)cn1 ZINC000190816196 432191538 /nfs/dbraw/zinc/19/15/38/432191538.db2.gz 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ZINC000172186401 432201850 /nfs/dbraw/zinc/20/18/50/432201850.db2.gz RLUFSMSLDRQHKA-OAHLLOKOSA-N 1 2 324.384 3.282 10 0 DGAELO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000130940187 196125407 /nfs/dbraw/zinc/12/54/07/196125407.db2.gz VJJXBPZTFFPFSN-UONOGXRCSA-N 1 2 314.433 3.343 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)C(C)(C)c1ccccc1F ZINC000131105628 196140191 /nfs/dbraw/zinc/14/01/91/196140191.db2.gz MCNSSVDUESYUJF-UHFFFAOYSA-N 1 2 317.408 3.272 10 0 DGAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2CCN(C)c2ccccc2)no1 ZINC000131279148 196156192 /nfs/dbraw/zinc/15/61/92/196156192.db2.gz GDZBMEPFEWRXJT-INIZCTEOSA-N 1 2 314.433 3.466 10 0 DGAELO CC(C)c1nc([C@@H]2CCC[N@H+]2CCN(C)c2ccccc2)no1 ZINC000131279148 196156194 /nfs/dbraw/zinc/15/61/94/196156194.db2.gz GDZBMEPFEWRXJT-INIZCTEOSA-N 1 2 314.433 3.466 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc2c(cccc2F)[nH]1 ZINC000131410123 196166228 /nfs/dbraw/zinc/16/62/28/196166228.db2.gz DZBFMUSLLHQLMM-UHFFFAOYSA-N 1 2 314.364 3.090 10 0 DGAELO CCCS(=O)(=O)CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000247220209 432213829 /nfs/dbraw/zinc/21/38/29/432213829.db2.gz CSGCUQCTKIYNCU-CJNGLKHVSA-N 1 2 313.438 3.033 10 0 DGAELO CCCS(=O)(=O)CC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000247220209 432213834 /nfs/dbraw/zinc/21/38/34/432213834.db2.gz CSGCUQCTKIYNCU-CJNGLKHVSA-N 1 2 313.438 3.033 10 0 DGAELO CC1(C)C[N@H+](Cc2nc(-c3ccoc3)no2)CC2(CCCC2)O1 ZINC000190960230 432205808 /nfs/dbraw/zinc/20/58/08/432205808.db2.gz IRPSCKXGYCWCOY-UHFFFAOYSA-N 1 2 317.389 3.253 10 0 DGAELO CC1(C)C[N@@H+](Cc2nc(-c3ccoc3)no2)CC2(CCCC2)O1 ZINC000190960230 432205811 /nfs/dbraw/zinc/20/58/11/432205811.db2.gz IRPSCKXGYCWCOY-UHFFFAOYSA-N 1 2 317.389 3.253 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc2ncccc21 ZINC000131413691 196166922 /nfs/dbraw/zinc/16/69/22/196166922.db2.gz JIGKEZQTZGFDPJ-UHFFFAOYSA-N 1 2 308.385 3.017 10 0 DGAELO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1nc2ccccc2n1C(F)F ZINC000191143624 432227476 /nfs/dbraw/zinc/22/74/76/432227476.db2.gz UALZTGQOVKPOMW-QWRGUYRKSA-N 1 2 309.360 3.165 10 0 DGAELO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)o1 ZINC000131487554 196173020 /nfs/dbraw/zinc/17/30/20/196173020.db2.gz ATOKWKHKOBBRTG-LBPRGKRZSA-N 1 2 319.405 3.140 10 0 DGAELO Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)o1 ZINC000131487554 196173021 /nfs/dbraw/zinc/17/30/21/196173021.db2.gz ATOKWKHKOBBRTG-LBPRGKRZSA-N 1 2 319.405 3.140 10 0 DGAELO c1csc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)co2)c1 ZINC000247325180 432221408 /nfs/dbraw/zinc/22/14/08/432221408.db2.gz WLVHAPPHARFXOZ-TZMCWYRMSA-N 1 2 322.455 3.109 10 0 DGAELO c1csc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)co2)c1 ZINC000247325180 432221414 /nfs/dbraw/zinc/22/14/14/432221414.db2.gz WLVHAPPHARFXOZ-TZMCWYRMSA-N 1 2 322.455 3.109 10 0 DGAELO COCC[N@H+](Cc1ccco1)Cc1nc2cc(F)ccc2o1 ZINC000132825872 196288184 /nfs/dbraw/zinc/28/81/84/196288184.db2.gz KUNPPMRFHMDMOD-UHFFFAOYSA-N 1 2 304.321 3.209 10 0 DGAELO COCC[N@@H+](Cc1ccco1)Cc1nc2cc(F)ccc2o1 ZINC000132825872 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CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH+]1[C@@H](C)C[C@@H]1C ZINC000548754569 435715344 /nfs/dbraw/zinc/71/53/44/435715344.db2.gz ZJBRGPSPCRYUJC-SRVKXCTJSA-N 1 2 314.385 3.445 10 0 DGAELO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)c1 ZINC000164679641 301655495 /nfs/dbraw/zinc/65/54/95/301655495.db2.gz GECKHEODCHKTKK-YPMHNXCESA-N 1 2 322.359 3.374 10 0 DGAELO Cn1c[nH+]cc1CN1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000177068812 303027229 /nfs/dbraw/zinc/02/72/29/303027229.db2.gz BRESPSRGZBKPGC-INIZCTEOSA-N 1 2 319.836 3.426 10 0 DGAELO Cn1c(C[NH+]2CCC(C(F)(F)F)CC2)nnc1-c1ccccc1 ZINC000173770025 312757786 /nfs/dbraw/zinc/75/77/86/312757786.db2.gz CYLVFTNULKVLIZ-UHFFFAOYSA-N 1 2 324.350 3.256 10 0 DGAELO CC[C@@H]([NH2+]Cc1nnc(C)n1C1CC1)c1cc(F)ccc1F ZINC000179777064 312816310 /nfs/dbraw/zinc/81/63/10/312816310.db2.gz BCTUPQGIVNVLHA-OAHLLOKOSA-N 1 2 306.360 3.441 10 0 DGAELO CC[C@H]1CCC[C@H](C[NH2+]Cc2[nH]ncc2Br)C1 ZINC000541374527 314012317 /nfs/dbraw/zinc/01/23/17/314012317.db2.gz OSELGCCNCDPCTI-QWRGUYRKSA-N 1 2 300.244 3.478 10 0 DGAELO c1cc2c(c(C[N@@H+]3CCO[C@@H](C4CCCCC4)C3)c1)OCO2 ZINC000541779421 314038555 /nfs/dbraw/zinc/03/85/55/314038555.db2.gz WTQPJZPUXXVHSV-QGZVFWFLSA-N 1 2 303.402 3.196 10 0 DGAELO c1cc2c(c(C[N@H+]3CCO[C@@H](C4CCCCC4)C3)c1)OCO2 ZINC000541779421 314038559 /nfs/dbraw/zinc/03/85/59/314038559.db2.gz WTQPJZPUXXVHSV-QGZVFWFLSA-N 1 2 303.402 3.196 10 0 DGAELO COC(=O)[C@H](C1CC1)[NH+]1CCC(=Cc2cccc(OC)c2)CC1 ZINC000543843041 314160519 /nfs/dbraw/zinc/16/05/19/314160519.db2.gz UTVONDWBUCKALE-SFHVURJKSA-N 1 2 315.413 3.126 10 0 DGAELO CC(C)c1ccc(/C=C\CC(=O)NCCc2c[nH+]cn2C)cc1 ZINC000548131584 314424438 /nfs/dbraw/zinc/42/44/38/314424438.db2.gz JSLIGNOSJRAPGE-PLNGDYQASA-N 1 2 311.429 3.306 10 0 DGAELO CCc1nc(C[N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)cs1 ZINC000566540701 315356762 /nfs/dbraw/zinc/35/67/62/315356762.db2.gz NWGCISUJDSOZKO-UHFFFAOYSA-N 1 2 302.403 3.321 10 0 DGAELO CCc1nc(C[N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)cs1 ZINC000566540701 315356764 /nfs/dbraw/zinc/35/67/64/315356764.db2.gz NWGCISUJDSOZKO-UHFFFAOYSA-N 1 2 302.403 3.321 10 0 DGAELO c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@@H]([C@H]4CCOC4)C3)c21 ZINC000574999255 316023312 /nfs/dbraw/zinc/02/33/12/316023312.db2.gz MVELLJJYACEHII-KGLIPLIRSA-N 1 2 322.412 3.364 10 0 DGAELO Cn1c2ccccc2cc(C[N@@H+]2CCCC[C@H]2C(F)F)c1=O ZINC000577960451 316289188 /nfs/dbraw/zinc/28/91/88/316289188.db2.gz HVTPZKSZUPLGNP-HNNXBMFYSA-N 1 2 306.356 3.158 10 0 DGAELO Cn1c2ccccc2cc(C[N@H+]2CCCC[C@H]2C(F)F)c1=O ZINC000577960451 316289191 /nfs/dbraw/zinc/28/91/91/316289191.db2.gz HVTPZKSZUPLGNP-HNNXBMFYSA-N 1 2 306.356 3.158 10 0 DGAELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccccc1C ZINC000179897186 323216703 /nfs/dbraw/zinc/21/67/03/323216703.db2.gz VQBPXSSSQKKKBY-ZDUSSCGKSA-N 1 2 316.376 3.432 10 0 DGAELO CCn1c(C)nnc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179983205 323218971 /nfs/dbraw/zinc/21/89/71/323218971.db2.gz BZXURVXOBGOOKW-UHFFFAOYSA-N 1 2 306.360 3.054 10 0 DGAELO CCCc1cnc(NC(=O)NCc2[nH+]ccn2CC(C)C)s1 ZINC000180832251 323239562 /nfs/dbraw/zinc/23/95/62/323239562.db2.gz ZYZDEUYUUKGVSL-UHFFFAOYSA-N 1 2 321.450 3.270 10 0 DGAELO CC(C)c1[nH+]c2c(n1C)CCN(CCCC(=O)OC(C)(C)C)C2 ZINC000181856621 323272569 /nfs/dbraw/zinc/27/25/69/323272569.db2.gz FYLRPADUAJIZCA-UHFFFAOYSA-N 1 2 321.465 3.024 10 0 DGAELO CC(C)c1nc2c(n1C)CC[N@H+](CCCC(=O)OC(C)(C)C)C2 ZINC000181856621 323272572 /nfs/dbraw/zinc/27/25/72/323272572.db2.gz FYLRPADUAJIZCA-UHFFFAOYSA-N 1 2 321.465 3.024 10 0 DGAELO CC(C)c1nc2c(n1C)CC[N@@H+](CCCC(=O)OC(C)(C)C)C2 ZINC000181856621 323272576 /nfs/dbraw/zinc/27/25/76/323272576.db2.gz FYLRPADUAJIZCA-UHFFFAOYSA-N 1 2 321.465 3.024 10 0 DGAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CCCC1 ZINC000182406043 323297613 /nfs/dbraw/zinc/29/76/13/323297613.db2.gz DWAXTSPXBCWXCX-UHFFFAOYSA-N 1 2 306.837 3.005 10 0 DGAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CCCC1 ZINC000182406043 323297614 /nfs/dbraw/zinc/29/76/14/323297614.db2.gz DWAXTSPXBCWXCX-UHFFFAOYSA-N 1 2 306.837 3.005 10 0 DGAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000183027659 323320476 /nfs/dbraw/zinc/32/04/76/323320476.db2.gz REZHXRVBWCGUNK-ZDUSSCGKSA-N 1 2 309.479 3.147 10 0 DGAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000183027659 323320478 /nfs/dbraw/zinc/32/04/78/323320478.db2.gz REZHXRVBWCGUNK-ZDUSSCGKSA-N 1 2 309.479 3.147 10 0 DGAELO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cc(F)cc(F)c2)n1 ZINC000184161654 323356958 /nfs/dbraw/zinc/35/69/58/323356958.db2.gz ITJVFCKKTBCYDW-SECBINFHSA-N 1 2 311.357 3.019 10 0 DGAELO CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1cccs1)c1nccs1 ZINC000185083892 323380688 /nfs/dbraw/zinc/38/06/88/323380688.db2.gz FGAWFJRLNKUHIJ-GHMZBOCLSA-N 1 2 309.460 3.123 10 0 DGAELO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000185247245 323384915 /nfs/dbraw/zinc/38/49/15/323384915.db2.gz YSNLDTVAMGFRTQ-GFCCVEGCSA-N 1 2 322.453 3.073 10 0 DGAELO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(Br)s2)o1 ZINC000381457085 323616190 /nfs/dbraw/zinc/61/61/90/323616190.db2.gz ITFMVJIHXQNUCO-ZCFIWIBFSA-N 1 2 302.197 3.053 10 0 DGAELO Cc1ccc(C[N@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)nc1 ZINC000328627272 533930077 /nfs/dbraw/zinc/93/00/77/533930077.db2.gz FZJPBYVZOKDLCH-SFHVURJKSA-N 1 2 310.445 3.339 10 0 DGAELO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)nc1 ZINC000328627272 533930085 /nfs/dbraw/zinc/93/00/85/533930085.db2.gz FZJPBYVZOKDLCH-SFHVURJKSA-N 1 2 310.445 3.339 10 0 DGAELO COC(=O)c1ccc(CNc2cc[nH+]c(C3CC3)n2)nc1C1CC1 ZINC000302055530 534150128 /nfs/dbraw/zinc/15/01/28/534150128.db2.gz ZEYGTWUYUIDSJL-UHFFFAOYSA-N 1 2 324.384 3.025 10 0 DGAELO COC(=O)[C@@H]([NH2+][C@H](C)C1CCCC1)c1cc(OC)cc(OC)c1 ZINC000178020734 534282644 /nfs/dbraw/zinc/28/26/44/534282644.db2.gz YMDZVXSSAWRMEH-PXAZEXFGSA-N 1 2 321.417 3.086 10 0 DGAELO COC(=O)c1coc([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000571270413 518033783 /nfs/dbraw/zinc/03/37/83/518033783.db2.gz ZJQMXWUPZKDCAW-GFCCVEGCSA-N 1 2 315.373 3.235 10 0 DGAELO COc1ccc(C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000157064725 524035414 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Cn1c(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)nnc1C1CCC1 ZINC000181053053 546151841 /nfs/dbraw/zinc/15/18/41/546151841.db2.gz ZRUJLBPRIBQWSJ-UHFFFAOYSA-N 1 2 324.428 3.078 10 0 DGAELO Cn1c(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)nnc1C1CCC1 ZINC000181053053 546151845 /nfs/dbraw/zinc/15/18/45/546151845.db2.gz ZRUJLBPRIBQWSJ-UHFFFAOYSA-N 1 2 324.428 3.078 10 0 DGAELO C[C@@H]1C[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H](C)O1 ZINC000183219215 546173417 /nfs/dbraw/zinc/17/34/17/546173417.db2.gz MFXGYRFVBXJWMO-GHMZBOCLSA-N 1 2 321.314 3.376 10 0 DGAELO CC(C)C[C@H](C)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000185269959 546187352 /nfs/dbraw/zinc/18/73/52/546187352.db2.gz DKWHOUZOLOKOBE-HNNXBMFYSA-N 1 2 304.434 3.140 10 0 DGAELO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220532832 546264972 /nfs/dbraw/zinc/26/49/72/546264972.db2.gz QMZLMMMSOOBTIV-VIFPVBQESA-N 1 2 309.291 3.172 10 0 DGAELO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220532832 546264977 /nfs/dbraw/zinc/26/49/77/546264977.db2.gz 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C[C@@H]([NH2+]Cc1cc(Cl)sc1Cl)c1nnc2n1CCC2 ZINC000312621771 546452903 /nfs/dbraw/zinc/45/29/03/546452903.db2.gz XFACOWGPZXLJKR-SSDOTTSWSA-N 1 2 317.245 3.443 10 0 DGAELO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1c(Cl)ccc(F)c1Cl ZINC000675927919 548293664 /nfs/dbraw/zinc/29/36/64/548293664.db2.gz NONMHVBHLXKERQ-KCJUWKMLSA-N 1 2 319.207 3.404 10 0 DGAELO Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cc[nH+]cc1C ZINC000730565885 574531771 /nfs/dbraw/zinc/53/17/71/574531771.db2.gz IOERKQWDVHSMPJ-UHFFFAOYSA-N 1 2 311.316 3.167 10 0 DGAELO C/C(=C/C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(F)c1 ZINC000732071533 574566007 /nfs/dbraw/zinc/56/60/07/574566007.db2.gz ROPUHHLXUWWRDF-OOXMNIKJSA-N 1 2 313.376 3.289 10 0 DGAELO Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733880682 574641716 /nfs/dbraw/zinc/64/17/16/574641716.db2.gz HVDOACYXQKBUOX-UHFFFAOYSA-N 1 2 309.156 3.232 10 0 DGAELO Cc1ccc([C@H](C)CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000737941621 574857020 /nfs/dbraw/zinc/85/70/20/574857020.db2.gz FKSMCPHSAWYXEF-OAHLLOKOSA-N 1 2 320.396 3.109 10 0 DGAELO CC[N@H+](Cn1nc(-c2ccc(F)cc2)ccc1=O)C1CCCC1 ZINC000129026259 625388627 /nfs/dbraw/zinc/38/86/27/625388627.db2.gz RVXQIOKKZWDRLM-UHFFFAOYSA-N 1 2 315.392 3.271 10 0 DGAELO CC[N@@H+](Cn1nc(-c2ccc(F)cc2)ccc1=O)C1CCCC1 ZINC000129026259 625388633 /nfs/dbraw/zinc/38/86/33/625388633.db2.gz RVXQIOKKZWDRLM-UHFFFAOYSA-N 1 2 315.392 3.271 10 0 DGAELO C/C(=C/C(=O)OCc1c[nH+]cn1C)c1ccccc1OC(F)F ZINC000085987906 660486683 /nfs/dbraw/zinc/48/66/83/660486683.db2.gz RQNULDTWRIRYGB-XFFZJAGNSA-N 1 2 322.311 3.168 10 0 DGAELO COC(C)(C)[C@H](C)Nc1nc(C)[nH+]c(C)c1Br ZINC000720260754 662307411 /nfs/dbraw/zinc/30/74/11/662307411.db2.gz MLUYXYZQBZHWPO-QMMMGPOBSA-N 1 2 302.216 3.081 10 0 DGAELO C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000175962175 655659489 /nfs/dbraw/zinc/65/94/89/655659489.db2.gz ORQYRSBSJRDBHP-HUUCEWRRSA-N 1 2 312.417 3.202 10 0 DGAELO Cn1cc(C[NH2+]Cc2ccsc2Cl)c(Br)n1 ZINC000712397900 661188258 /nfs/dbraw/zinc/18/82/58/661188258.db2.gz QUDNZSUKFSRSNY-UHFFFAOYSA-N 1 2 320.643 3.187 10 0 DGAELO C[C@@H]([NH2+]Cc1cn(C)nc1Br)c1ccccc1F ZINC000712458984 661188516 /nfs/dbraw/zinc/18/85/16/661188516.db2.gz AUULHKCVOUHSRJ-SECBINFHSA-N 1 2 312.186 3.173 10 0 DGAELO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179619399 655910160 /nfs/dbraw/zinc/91/01/60/655910160.db2.gz SXVGWIJVBUIKTG-VIFPVBQESA-N 1 2 309.763 3.410 10 0 DGAELO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179619399 655910161 /nfs/dbraw/zinc/91/01/61/655910161.db2.gz SXVGWIJVBUIKTG-VIFPVBQESA-N 1 2 309.763 3.410 10 0 DGAELO C[C@H]1SCC[N@H+](Cc2ncccc2Br)[C@H]1C ZINC000309204978 655922364 /nfs/dbraw/zinc/92/23/64/655922364.db2.gz FZUBUZSUFLXUCD-VHSXEESVSA-N 1 2 301.253 3.170 10 0 DGAELO C[C@H]1SCC[N@@H+](Cc2ncccc2Br)[C@H]1C ZINC000309204978 655922366 /nfs/dbraw/zinc/92/23/66/655922366.db2.gz FZUBUZSUFLXUCD-VHSXEESVSA-N 1 2 301.253 3.170 10 0 DGAELO Cc1nc(C)c(C[NH2+]Cc2ncc(Br)s2)s1 ZINC000309697040 656114675 /nfs/dbraw/zinc/11/46/75/656114675.db2.gz LHPDRCKZPVEIKR-UHFFFAOYSA-N 1 2 318.265 3.269 10 0 DGAELO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)C1CCOCC1)c1ccccc1 ZINC000248557679 656310034 /nfs/dbraw/zinc/31/00/34/656310034.db2.gz LWKTUQNJAODZDL-RHSMWYFYSA-N 1 2 305.418 3.038 10 0 DGAELO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)C1CCOCC1)c1ccccc1 ZINC000248557679 656310036 /nfs/dbraw/zinc/31/00/36/656310036.db2.gz LWKTUQNJAODZDL-RHSMWYFYSA-N 1 2 305.418 3.038 10 0 DGAELO C[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)CCO1 ZINC000720451027 657748778 /nfs/dbraw/zinc/74/87/78/657748778.db2.gz BKRYHPORNHDWPE-SNVBAGLBSA-N 1 2 302.187 3.199 10 0 DGAELO C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)CCO1 ZINC000720451027 657748786 /nfs/dbraw/zinc/74/87/86/657748786.db2.gz BKRYHPORNHDWPE-SNVBAGLBSA-N 1 2 302.187 3.199 10 0 DGAELO S=c1n(C[N@H+](C2CC2)C2CCCC2)nnn1-c1ccccc1 ZINC000042094199 661837650 /nfs/dbraw/zinc/83/76/50/661837650.db2.gz MQTBYMDATATZDV-UHFFFAOYSA-N 1 2 315.446 3.163 10 0 DGAELO S=c1n(C[N@@H+](C2CC2)C2CCCC2)nnn1-c1ccccc1 ZINC000042094199 661837651 /nfs/dbraw/zinc/83/76/51/661837651.db2.gz MQTBYMDATATZDV-UHFFFAOYSA-N 1 2 315.446 3.163 10 0 DGAELO CCC1(CC)C[N@H+](Cc2cc(Cl)ccc2O)CC[S@]1=O ZINC000187554405 661886455 /nfs/dbraw/zinc/88/64/55/661886455.db2.gz CLJKZJJXXMWKRI-HXUWFJFHSA-N 1 2 315.866 3.169 10 0 DGAELO CCC1(CC)C[N@@H+](Cc2cc(Cl)ccc2O)CC[S@]1=O ZINC000187554405 661886457 /nfs/dbraw/zinc/88/64/57/661886457.db2.gz CLJKZJJXXMWKRI-HXUWFJFHSA-N 1 2 315.866 3.169 10 0 DGAELO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)CN1CCOC1=S ZINC000077459493 662027682 /nfs/dbraw/zinc/02/76/82/662027682.db2.gz JLJWVLZKOOMJLK-UHFFFAOYSA-N 1 2 319.257 3.390 10 0 DGAELO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)CN1CCOC1=S ZINC000077459493 662027685 /nfs/dbraw/zinc/02/76/85/662027685.db2.gz JLJWVLZKOOMJLK-UHFFFAOYSA-N 1 2 319.257 3.390 10 0 DGAELO C[C@H]1C[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)CC[N@@H+]1C ZINC000191398660 662064065 /nfs/dbraw/zinc/06/40/65/662064065.db2.gz XPZDDUCEIIRFMZ-QWRGUYRKSA-N 1 2 300.805 3.099 10 0 DGAELO C[C@H]1C[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)CC[N@H+]1C ZINC000191398660 662064067 /nfs/dbraw/zinc/06/40/67/662064067.db2.gz XPZDDUCEIIRFMZ-QWRGUYRKSA-N 1 2 300.805 3.099 10 0 DGAELO C[N@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193617040 662142089 /nfs/dbraw/zinc/14/20/89/662142089.db2.gz PVSHCKYRMHWHOL-UHFFFAOYSA-N 1 2 319.292 3.274 10 0 DGAELO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193617040 662142090 /nfs/dbraw/zinc/14/20/90/662142090.db2.gz PVSHCKYRMHWHOL-UHFFFAOYSA-N 1 2 319.292 3.274 10 0 DGAELO Brc1c[nH]nc1C[NH2+]Cc1cncc2ccccc21 ZINC000718204970 662249933 /nfs/dbraw/zinc/24/99/33/662249933.db2.gz XCLJMKDZWGGFDB-UHFFFAOYSA-N 1 2 317.190 3.010 10 0 DGAELO CC[N@H+](C)[C@@H](C(=O)O[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000248522575 662351247 /nfs/dbraw/zinc/35/12/47/662351247.db2.gz RZAUOPIDZUYGFS-YALNPMBYSA-N 1 2 305.418 3.179 10 0 DGAELO CC[N@@H+](C)[C@@H](C(=O)O[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000248522575 662351251 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Brc1cccc(C[NH2+][C@@H]2CCCc3[nH]ncc32)c1 ZINC000375896401 433604867 /nfs/dbraw/zinc/60/48/67/433604867.db2.gz WMRNFRQAGCLNSO-CYBMUJFWSA-N 1 2 306.207 3.339 10 0 DGAELO c1ccc(OCC2CCN(c3cc[nH+]c(C4CC4)n3)CC2)nc1 ZINC000301580208 433620635 /nfs/dbraw/zinc/62/06/35/433620635.db2.gz SGHFSLXITOPJHW-UHFFFAOYSA-N 1 2 310.401 3.044 10 0 DGAELO Cc1cscc1CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376079988 433659378 /nfs/dbraw/zinc/65/93/78/433659378.db2.gz GULVPROXTUPHPD-LBPRGKRZSA-N 1 2 317.458 3.324 10 0 DGAELO Cc1cscc1CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376079988 433659385 /nfs/dbraw/zinc/65/93/85/433659385.db2.gz GULVPROXTUPHPD-LBPRGKRZSA-N 1 2 317.458 3.324 10 0 DGAELO CCCc1nnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)s1 ZINC000301717401 433692600 /nfs/dbraw/zinc/69/26/00/433692600.db2.gz KTRPINKOXYYMFC-UHFFFAOYSA-N 1 2 305.382 3.161 10 0 DGAELO Cn1c[nH+]c2c1CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000366659442 292973727 /nfs/dbraw/zinc/97/37/27/292973727.db2.gz IEVKPUDZBWIZNY-UHFFFAOYSA-N 1 2 317.392 3.286 10 0 DGAELO CCCc1occc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000366965520 293009235 /nfs/dbraw/zinc/00/92/35/293009235.db2.gz FSVNHOLOMMFIRW-AWEZNQCLSA-N 1 2 315.417 3.061 10 0 DGAELO Cn1ccc([C@H]([NH2+]Cc2cccs2)c2ccc(F)cc2)n1 ZINC000367372472 293063148 /nfs/dbraw/zinc/06/31/48/293063148.db2.gz RUGDXCXYZFZDFH-MRXNPFEDSA-N 1 2 301.390 3.500 10 0 DGAELO COc1ccc(C[NH2+][C@H](C)c2ccccc2Br)nn1 ZINC000283293674 433704176 /nfs/dbraw/zinc/70/41/76/433704176.db2.gz YBOGVPNRZHGMSS-SNVBAGLBSA-N 1 2 322.206 3.099 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]3CCCC[C@H]3C1)C2 ZINC000370158787 293159604 /nfs/dbraw/zinc/15/96/04/293159604.db2.gz DYSZABIBUGJCOS-ILXRZTDVSA-N 1 2 315.461 3.287 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3CCCC[C@H]3C1)CC2 ZINC000370158787 293159606 /nfs/dbraw/zinc/15/96/06/293159606.db2.gz DYSZABIBUGJCOS-ILXRZTDVSA-N 1 2 315.461 3.287 10 0 DGAELO OCC[C@H]1CSCC[N@@H+]1Cc1cc(Cl)sc1Cl ZINC000449045916 433706116 /nfs/dbraw/zinc/70/61/16/433706116.db2.gz JOCAHICFDAHROA-VIFPVBQESA-N 1 2 312.287 3.355 10 0 DGAELO OCC[C@H]1CSCC[N@H+]1Cc1cc(Cl)sc1Cl ZINC000449045916 433706128 /nfs/dbraw/zinc/70/61/28/433706128.db2.gz JOCAHICFDAHROA-VIFPVBQESA-N 1 2 312.287 3.355 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC(C)(C)C(C)C)C2 ZINC000373689604 293305866 /nfs/dbraw/zinc/30/58/66/293305866.db2.gz IQYINBAPKNUSGW-CYBMUJFWSA-N 1 2 305.466 3.436 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC(C)(C)C(C)C)CC2 ZINC000373689604 293305870 /nfs/dbraw/zinc/30/58/70/293305870.db2.gz IQYINBAPKNUSGW-CYBMUJFWSA-N 1 2 305.466 3.436 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC3(C1)CCCC3)C2 ZINC000356890803 433751516 /nfs/dbraw/zinc/75/15/16/433751516.db2.gz CJMUKMFMSASPFQ-ZDUSSCGKSA-N 1 2 301.434 3.041 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC3(C1)CCCC3)CC2 ZINC000356890803 433751523 /nfs/dbraw/zinc/75/15/23/433751523.db2.gz CJMUKMFMSASPFQ-ZDUSSCGKSA-N 1 2 301.434 3.041 10 0 DGAELO O=C1CCC(=O)N1C1CCC(Nc2ccc3ccccc3[nH+]2)CC1 ZINC000301849553 433757788 /nfs/dbraw/zinc/75/77/88/433757788.db2.gz OOAVNEGIHBAPMP-UHFFFAOYSA-N 1 2 323.396 3.107 10 0 DGAELO c1ccc(OCC2CC2)c(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414560973 433724815 /nfs/dbraw/zinc/72/48/15/433724815.db2.gz XZUCSIFOGTYZII-UHFFFAOYSA-N 1 2 315.442 3.494 10 0 DGAELO O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2cc[nH+]c3ccncc32)C1 ZINC000339782728 433781665 /nfs/dbraw/zinc/78/16/65/433781665.db2.gz HHFHORJRLUTVIR-KDOFPFPSSA-N 1 2 309.344 3.081 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)C2 ZINC000376627252 433791572 /nfs/dbraw/zinc/79/15/72/433791572.db2.gz NGBMQAJLEQHUMG-MGPQQGTHSA-N 1 2 303.450 3.333 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000376627252 433791581 /nfs/dbraw/zinc/79/15/81/433791581.db2.gz NGBMQAJLEQHUMG-MGPQQGTHSA-N 1 2 303.450 3.333 10 0 DGAELO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1nc(C2CC2)no1 ZINC000284282742 433877917 /nfs/dbraw/zinc/87/79/17/433877917.db2.gz NKXSCCYFKZMHIE-VBNZEHGJSA-N 1 2 312.417 3.043 10 0 DGAELO Cc1cc(C)c(CNC(=O)c2cccc(C(F)(F)F)n2)c[nH+]1 ZINC000456855016 433865610 /nfs/dbraw/zinc/86/56/10/433865610.db2.gz YVVADXKUCYQTMT-UHFFFAOYSA-N 1 2 309.291 3.042 10 0 DGAELO Cc1ccc(-n2c[nH+]c3c2CCN(c2nc(C)cnc2C)C3)cc1 ZINC000362950561 433925352 /nfs/dbraw/zinc/92/53/52/433925352.db2.gz DXRHJOBYJFLAKS-UHFFFAOYSA-N 1 2 319.412 3.150 10 0 DGAELO Cc1cnc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)s1 ZINC000302858080 433885427 /nfs/dbraw/zinc/88/54/27/433885427.db2.gz SSQWDEWZWSWYPS-TXEJJXNPSA-N 1 2 318.446 3.072 10 0 DGAELO CC[C@H](Nc1ccccc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000357356210 433968049 /nfs/dbraw/zinc/96/80/49/433968049.db2.gz PEHNPBNJQQWDTC-INIZCTEOSA-N 1 2 312.417 3.006 10 0 DGAELO Cn1cc(Br)c(C[NH2+][C@@H]2CCc3c2cccc3F)n1 ZINC000393350555 293830357 /nfs/dbraw/zinc/83/03/57/293830357.db2.gz RXWIMHWGSSDTKY-CYBMUJFWSA-N 1 2 324.197 3.099 10 0 DGAELO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2Br)nn1 ZINC000396586774 293841382 /nfs/dbraw/zinc/84/13/82/293841382.db2.gz IBLPZVBBURKQJP-NSHDSACASA-N 1 2 306.207 3.398 10 0 DGAELO Cc1csc(C[NH+]2CCC(Nc3nc(C)cs3)CC2)n1 ZINC000363459144 434058636 /nfs/dbraw/zinc/05/86/36/434058636.db2.gz HQNRTCJLBPAOKX-UHFFFAOYSA-N 1 2 308.476 3.293 10 0 DGAELO CC(C)c1nnc(N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000450432423 434174178 /nfs/dbraw/zinc/17/41/78/434174178.db2.gz AKBHKSUAMHWCRH-UHFFFAOYSA-N 1 2 303.410 3.086 10 0 DGAELO Oc1ccccc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000436940066 434180126 /nfs/dbraw/zinc/18/01/26/434180126.db2.gz SYOXQZZQQYODTD-UHFFFAOYSA-N 1 2 304.309 3.295 10 0 DGAELO COC(=O)[C@H]([NH2+]CC1(c2cccs2)CCCCC1)C1CC1 ZINC000513440244 294473245 /nfs/dbraw/zinc/47/32/45/294473245.db2.gz ZBORRZPLSHCIHJ-OAHLLOKOSA-N 1 2 307.459 3.491 10 0 DGAELO COC(=O)c1csc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)n1 ZINC000450453939 434194068 /nfs/dbraw/zinc/19/40/68/434194068.db2.gz QKYOTHUWHKJTQH-WCQYABFASA-N 1 2 320.414 3.496 10 0 DGAELO COC(=O)c1csc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)n1 ZINC000450453939 434194079 /nfs/dbraw/zinc/19/40/79/434194079.db2.gz QKYOTHUWHKJTQH-WCQYABFASA-N 1 2 320.414 3.496 10 0 DGAELO c1[nH]cc(C2CCN(c3ccnc(Cc4ccccc4)n3)CC2)[nH+]1 ZINC000364062668 434222861 /nfs/dbraw/zinc/22/28/61/434222861.db2.gz GOKGJMHMTOXUOE-UHFFFAOYSA-N 1 2 319.412 3.175 10 0 DGAELO c1[nH]c(C2CCN(c3ccnc(Cc4ccccc4)n3)CC2)c[nH+]1 ZINC000364062668 434222865 /nfs/dbraw/zinc/22/28/65/434222865.db2.gz GOKGJMHMTOXUOE-UHFFFAOYSA-N 1 2 319.412 3.175 10 0 DGAELO c1nc2c(s1)C[N@H+](Cc1cnc(-c3ccccn3)s1)CC2 ZINC000438364664 434468128 /nfs/dbraw/zinc/46/81/28/434468128.db2.gz LEZSRXVFEKHADR-UHFFFAOYSA-N 1 2 314.439 3.220 10 0 DGAELO c1nc2c(s1)C[N@@H+](Cc1cnc(-c3ccccn3)s1)CC2 ZINC000438364664 434468135 /nfs/dbraw/zinc/46/81/35/434468135.db2.gz LEZSRXVFEKHADR-UHFFFAOYSA-N 1 2 314.439 3.220 10 0 DGAELO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000438301449 434450212 /nfs/dbraw/zinc/45/02/12/434450212.db2.gz GNORQXSZVPZECS-HUUCEWRRSA-N 1 2 311.372 3.328 10 0 DGAELO Brc1ccc(C[N@@H+]2CCOCC3(CC3)C2)s1 ZINC000360088310 434511935 /nfs/dbraw/zinc/51/19/35/434511935.db2.gz LEGSKRGFJSJXSQ-UHFFFAOYSA-N 1 2 302.237 3.123 10 0 DGAELO Brc1ccc(C[N@H+]2CCOCC3(CC3)C2)s1 ZINC000360088310 434511941 /nfs/dbraw/zinc/51/19/41/434511941.db2.gz LEGSKRGFJSJXSQ-UHFFFAOYSA-N 1 2 302.237 3.123 10 0 DGAELO C[C@@H]1CC[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@H]1C ZINC000408210794 434551385 /nfs/dbraw/zinc/55/13/85/434551385.db2.gz KOXQWZFCNFNSJF-NFAWXSAZSA-N 1 2 304.438 3.123 10 0 DGAELO C[C@@H]1CC[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@H]1C ZINC000408210794 434551392 /nfs/dbraw/zinc/55/13/92/434551392.db2.gz KOXQWZFCNFNSJF-NFAWXSAZSA-N 1 2 304.438 3.123 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC13CCC(CC1)C3)C2 ZINC000526010359 295051096 /nfs/dbraw/zinc/05/10/96/295051096.db2.gz JHTCWTMVJZNVCI-SHYRYGCCSA-N 1 2 315.461 3.335 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC13CCC(CC1)C3)CC2 ZINC000526010359 295051099 /nfs/dbraw/zinc/05/10/99/295051099.db2.gz JHTCWTMVJZNVCI-SHYRYGCCSA-N 1 2 315.461 3.335 10 0 DGAELO c1ccc(-c2n[nH]c([C@H]3CCC[N@H+]3CC[C@@H]3CCCO3)n2)cc1 ZINC000526056673 295053997 /nfs/dbraw/zinc/05/39/97/295053997.db2.gz LTQMCZBXWFMFOP-JKSUJKDBSA-N 1 2 312.417 3.178 10 0 DGAELO c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+]3CC[C@@H]3CCCO3)n2)cc1 ZINC000526056673 295053998 /nfs/dbraw/zinc/05/39/98/295053998.db2.gz LTQMCZBXWFMFOP-JKSUJKDBSA-N 1 2 312.417 3.178 10 0 DGAELO Cc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1O ZINC000527251002 295087152 /nfs/dbraw/zinc/08/71/52/295087152.db2.gz SODBSOQOTCQARN-GFCCVEGCSA-N 1 2 313.401 3.291 10 0 DGAELO Cc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1O ZINC000527251002 295087154 /nfs/dbraw/zinc/08/71/54/295087154.db2.gz SODBSOQOTCQARN-GFCCVEGCSA-N 1 2 313.401 3.291 10 0 DGAELO C[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408406399 434571620 /nfs/dbraw/zinc/57/16/20/434571620.db2.gz MWZALEXLNSAMAA-UGSOOPFHSA-N 1 2 324.428 3.232 10 0 DGAELO C[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408406399 434571626 /nfs/dbraw/zinc/57/16/26/434571626.db2.gz MWZALEXLNSAMAA-UGSOOPFHSA-N 1 2 324.428 3.232 10 0 DGAELO c1cn(-c2ncccc2-c2noc([C@@H]3CCCC34CC4)n2)c[nH+]1 ZINC000528107848 295176811 /nfs/dbraw/zinc/17/68/11/295176811.db2.gz KCQFSEVZLNRJBO-ZDUSSCGKSA-N 1 2 307.357 3.365 10 0 DGAELO Clc1ccc2c(cc3n2CC[N@H+](CCc2cn[nH]c2)C3)c1 ZINC000459426387 434583407 /nfs/dbraw/zinc/58/34/07/434583407.db2.gz UBQZPFHBDWIUOD-UHFFFAOYSA-N 1 2 300.793 3.076 10 0 DGAELO Clc1ccc2c(cc3n2CC[N@@H+](CCc2cn[nH]c2)C3)c1 ZINC000459426387 434583414 /nfs/dbraw/zinc/58/34/14/434583414.db2.gz UBQZPFHBDWIUOD-UHFFFAOYSA-N 1 2 300.793 3.076 10 0 DGAELO COc1cccc(C2=CC[N@H+](Cc3nnc(C)s3)CC2)c1 ZINC000371454440 434706403 /nfs/dbraw/zinc/70/64/03/434706403.db2.gz HKXJWENGRDJDTB-UHFFFAOYSA-N 1 2 301.415 3.144 10 0 DGAELO COc1cccc(C2=CC[N@@H+](Cc3nnc(C)s3)CC2)c1 ZINC000371454440 434706407 /nfs/dbraw/zinc/70/64/07/434706407.db2.gz HKXJWENGRDJDTB-UHFFFAOYSA-N 1 2 301.415 3.144 10 0 DGAELO CC(C)C(CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(C)C ZINC000446203727 434853947 /nfs/dbraw/zinc/85/39/47/434853947.db2.gz AWIMSEDGRYSROY-UHFFFAOYSA-N 1 2 306.454 3.227 10 0 DGAELO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCCC12CCC2)c1ccccc1 ZINC000573549794 434908041 /nfs/dbraw/zinc/90/80/41/434908041.db2.gz BWJOGULDKPGGRW-INIZCTEOSA-N 1 2 324.428 3.238 10 0 DGAELO c1csc([C@@H]([NH2+][C@@H]2CCc3ccccc3C2)c2nnc[nH]2)c1 ZINC000556050858 434992702 /nfs/dbraw/zinc/99/27/02/434992702.db2.gz MTXSHWMNNGVNNP-GDBMZVCRSA-N 1 2 310.426 3.103 10 0 DGAELO Fc1ccc(OCC[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000464838438 435006524 /nfs/dbraw/zinc/00/65/24/435006524.db2.gz ZPKBDNJTODARDM-GOSISDBHSA-N 1 2 301.361 3.278 10 0 DGAELO Fc1ccc(OCC[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000464838438 435006526 /nfs/dbraw/zinc/00/65/26/435006526.db2.gz ZPKBDNJTODARDM-GOSISDBHSA-N 1 2 301.361 3.278 10 0 DGAELO Cc1cc[nH+]cc1CCCNc1cccc(N2CCOCC2)c1 ZINC000559238146 435125043 /nfs/dbraw/zinc/12/50/43/435125043.db2.gz ROIFRTTYUHSTIE-UHFFFAOYSA-N 1 2 311.429 3.271 10 0 DGAELO Cc1ccc(-c2noc(C[N@@H+]3CCOC4(CCCC4)C3)n2)cc1 ZINC000531988827 435131756 /nfs/dbraw/zinc/13/17/56/435131756.db2.gz ZCOLDXJFRMTEKY-UHFFFAOYSA-N 1 2 313.401 3.190 10 0 DGAELO Cc1ccc(-c2noc(C[N@H+]3CCOC4(CCCC4)C3)n2)cc1 ZINC000531988827 435131760 /nfs/dbraw/zinc/13/17/60/435131760.db2.gz ZCOLDXJFRMTEKY-UHFFFAOYSA-N 1 2 313.401 3.190 10 0 DGAELO Cn1cnnc1C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000579099775 435131720 /nfs/dbraw/zinc/13/17/20/435131720.db2.gz JWFXOGFNDHPYMZ-UHFFFAOYSA-N 1 2 324.453 3.046 10 0 DGAELO Cn1cnnc1C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000579099775 435131722 /nfs/dbraw/zinc/13/17/22/435131722.db2.gz JWFXOGFNDHPYMZ-UHFFFAOYSA-N 1 2 324.453 3.046 10 0 DGAELO c1cc(C2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)[nH]n1 ZINC000532944982 435199834 /nfs/dbraw/zinc/19/98/34/435199834.db2.gz SCFWYWSEGPPNHA-UHFFFAOYSA-N 1 2 319.412 3.246 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cnn(C(C)C)c1)C2 ZINC000567439114 435316970 /nfs/dbraw/zinc/31/69/70/435316970.db2.gz WZNAIJPJBGWANW-LBPRGKRZSA-N 1 2 315.421 3.054 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cnn(C(C)C)c1)CC2 ZINC000567439114 435316983 /nfs/dbraw/zinc/31/69/83/435316983.db2.gz WZNAIJPJBGWANW-LBPRGKRZSA-N 1 2 315.421 3.054 10 0 DGAELO CC(C)c1nc(NCC2CCN(c3ccccc3)CC2)cc[nH+]1 ZINC000480505538 435381467 /nfs/dbraw/zinc/38/14/67/435381467.db2.gz HNSSTYJVCNIHFX-UHFFFAOYSA-N 1 2 310.445 3.350 10 0 DGAELO COC(=O)[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000513453597 435388578 /nfs/dbraw/zinc/38/85/78/435388578.db2.gz YMWTTXHAHIIZBF-NOZJJQNGSA-N 1 2 301.308 3.308 10 0 DGAELO CCOC(=O)c1nc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cs1 ZINC000548098980 435669042 /nfs/dbraw/zinc/66/90/42/435669042.db2.gz YAEXTAQWLZGPRL-WPRPVWTQSA-N 1 2 322.352 3.093 10 0 DGAELO CCOC(=O)c1nc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cs1 ZINC000548098980 435669045 /nfs/dbraw/zinc/66/90/45/435669045.db2.gz YAEXTAQWLZGPRL-WPRPVWTQSA-N 1 2 322.352 3.093 10 0 DGAELO CN(C)c1[nH+]cccc1CNC(=O)C[C@H]1CCCc2ccccc21 ZINC000170977945 312707621 /nfs/dbraw/zinc/70/76/21/312707621.db2.gz LTEZOGDBIYZFNA-MRXNPFEDSA-N 1 2 323.440 3.274 10 0 DGAELO Cc1cccc(C[NH2+][C@@H](C)c2ncc(Br)s2)n1 ZINC000179208393 312800598 /nfs/dbraw/zinc/80/05/98/312800598.db2.gz QPMPOPCRKLDWQW-VIFPVBQESA-N 1 2 312.236 3.460 10 0 DGAELO CC(=O)c1ccc2c(c1)CCN(c1[nH+]c3ccccc3n1C)CC2 ZINC000534244443 313654911 /nfs/dbraw/zinc/65/49/11/313654911.db2.gz QHOJFJPNCDFXAL-UHFFFAOYSA-N 1 2 319.408 3.381 10 0 DGAELO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cccc2nccnc21 ZINC000542568497 314085097 /nfs/dbraw/zinc/08/50/97/314085097.db2.gz MWUROUULSNQDBT-UHFFFAOYSA-N 1 2 315.336 3.272 10 0 DGAELO CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000544138150 314176171 /nfs/dbraw/zinc/17/61/71/314176171.db2.gz XAVNJHNEYHZBAR-MRXNPFEDSA-N 1 2 324.428 3.370 10 0 DGAELO C[C@@H]1CC[C@H](CCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)O1 ZINC000547106639 314344243 /nfs/dbraw/zinc/34/42/43/314344243.db2.gz KZUWIBBNNHSVMD-CZUORRHYSA-N 1 2 324.384 3.422 10 0 DGAELO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCC2CC2)CC1 ZINC000547314773 314355118 /nfs/dbraw/zinc/35/51/18/314355118.db2.gz NEWOCMSSBIPPFV-CQSZACIVSA-N 1 2 321.490 3.327 10 0 DGAELO Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547671639 314385475 /nfs/dbraw/zinc/38/54/75/314385475.db2.gz VJXJVKNMNQLEGV-CQSZACIVSA-N 1 2 312.417 3.451 10 0 DGAELO c1cc([C@H]2CCCN2c2cc(NC3CC3)[nH+]cn2)cc2c1OCO2 ZINC000563517759 315121567 /nfs/dbraw/zinc/12/15/67/315121567.db2.gz DQFJHPMOZNPXEF-CQSZACIVSA-N 1 2 324.384 3.121 10 0 DGAELO c1cc([C@H]2CCCN2c2cc(NC3CC3)nc[nH+]2)cc2c1OCO2 ZINC000563517759 315121568 /nfs/dbraw/zinc/12/15/68/315121568.db2.gz DQFJHPMOZNPXEF-CQSZACIVSA-N 1 2 324.384 3.121 10 0 DGAELO c1[nH]c(-c2ccccc2)nc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000565458062 315262125 /nfs/dbraw/zinc/26/21/25/315262125.db2.gz WWCMWJPZDXLOOJ-UHFFFAOYSA-N 1 2 319.412 3.106 10 0 DGAELO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c(Br)cnn2C)o1 ZINC000575062714 316029812 /nfs/dbraw/zinc/02/98/12/316029812.db2.gz BDEAHGJDBWOMFR-ONGXEEELSA-N 1 2 324.222 3.189 10 0 DGAELO CCCCn1nnnc1C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000576561752 316143232 /nfs/dbraw/zinc/14/32/32/316143232.db2.gz QMAMYQCAFFSDSK-KBPBESRZSA-N 1 2 303.410 3.039 10 0 DGAELO CCCCn1nnnc1C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000576561752 316143235 /nfs/dbraw/zinc/14/32/35/316143235.db2.gz QMAMYQCAFFSDSK-KBPBESRZSA-N 1 2 303.410 3.039 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]C[C@H]2CCC3(CCCCC3)O2)no1 ZINC000576693802 316157627 /nfs/dbraw/zinc/15/76/27/316157627.db2.gz YYLFSDOPMJNQPV-CYBMUJFWSA-N 1 2 307.438 3.339 10 0 DGAELO Cn1c2ccccc2cc(C[N@@H+]2CCCC[C@@H]2C(F)F)c1=O ZINC000577960452 316288799 /nfs/dbraw/zinc/28/87/99/316288799.db2.gz HVTPZKSZUPLGNP-OAHLLOKOSA-N 1 2 306.356 3.158 10 0 DGAELO Cn1c2ccccc2cc(C[N@H+]2CCCC[C@@H]2C(F)F)c1=O ZINC000577960452 316288802 /nfs/dbraw/zinc/28/88/02/316288802.db2.gz HVTPZKSZUPLGNP-OAHLLOKOSA-N 1 2 306.356 3.158 10 0 DGAELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000179916574 323217162 /nfs/dbraw/zinc/21/71/62/323217162.db2.gz UCZWLPJFMKLVAJ-NSHDSACASA-N 1 2 320.339 3.263 10 0 DGAELO CCc1ccc(C(C)(C)[NH2+]Cc2nsc(N(C)C)n2)cc1 ZINC000180102675 323221516 /nfs/dbraw/zinc/22/15/16/323221516.db2.gz YVEXWPXABARKCL-UHFFFAOYSA-N 1 2 304.463 3.191 10 0 DGAELO CC(C)n1nnnc1C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000181500533 323256777 /nfs/dbraw/zinc/25/67/77/323256777.db2.gz KVUWEOMOIHTTTK-KRWDZBQOSA-N 1 2 317.412 3.414 10 0 DGAELO CCC[C@@H]([NH2+]Cc1nnnn1C(C)C)c1ccc(F)cc1F ZINC000181681641 323264017 /nfs/dbraw/zinc/26/40/17/323264017.db2.gz KPKKOUFQZPFKKF-CQSZACIVSA-N 1 2 309.364 3.163 10 0 DGAELO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnnn1C(C)C ZINC000181716669 323265933 /nfs/dbraw/zinc/26/59/33/323265933.db2.gz DCQBARWEUHIHEI-HNNXBMFYSA-N 1 2 317.437 3.140 10 0 DGAELO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(F)c1F ZINC000181966445 323277692 /nfs/dbraw/zinc/27/76/92/323277692.db2.gz YWXYRAXBSAWKBK-VIFPVBQESA-N 1 2 305.284 3.459 10 0 DGAELO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)n1 ZINC000182004239 323279738 /nfs/dbraw/zinc/27/97/38/323279738.db2.gz YZHNEVBKGDFPQD-GHMZBOCLSA-N 1 2 323.368 3.166 10 0 DGAELO CC(C)CCc1noc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)n1 ZINC000182278618 323290245 /nfs/dbraw/zinc/29/02/45/323290245.db2.gz LHPIWJHQQZULNN-GFCCVEGCSA-N 1 2 317.389 3.238 10 0 DGAELO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1nccs1 ZINC000185049158 323379207 /nfs/dbraw/zinc/37/92/07/323379207.db2.gz GNFPKSVDWPCIHF-ZDUSSCGKSA-N 1 2 313.430 3.180 10 0 DGAELO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1F)c1nccs1 ZINC000185093779 323381710 /nfs/dbraw/zinc/38/17/10/323381710.db2.gz SAUSRTQTVMYRDJ-CYBMUJFWSA-N 1 2 308.378 3.310 10 0 DGAELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000185892436 323397866 /nfs/dbraw/zinc/39/78/66/323397866.db2.gz ZWAOKUBFQJEVNH-CQSZACIVSA-N 1 2 301.217 3.223 10 0 DGAELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000185892436 323397868 /nfs/dbraw/zinc/39/78/68/323397868.db2.gz ZWAOKUBFQJEVNH-CQSZACIVSA-N 1 2 301.217 3.223 10 0 DGAELO Cc1ccc(Cc2noc(Cc3ccc4c(c3)CCCO4)n2)c[nH+]1 ZINC000351341260 323598314 /nfs/dbraw/zinc/59/83/14/323598314.db2.gz INIJZCKBGNEVHQ-UHFFFAOYSA-N 1 2 321.380 3.280 10 0 DGAELO c1ccc2c(c1)CCN2c1cc(N[C@H]2CC23CCOCC3)[nH+]cn1 ZINC000581351457 324107817 /nfs/dbraw/zinc/10/78/17/324107817.db2.gz ZQLUTRYJLVHXHK-INIZCTEOSA-N 1 2 322.412 3.152 10 0 DGAELO Cc1cc(N2CCn3c(C(C)C)nnc3[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000302600076 533911373 /nfs/dbraw/zinc/91/13/73/533911373.db2.gz YHWRJEVUARBRJU-ZDUSSCGKSA-N 1 2 314.437 3.205 10 0 DGAELO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Cl)c1 ZINC000156242583 525148702 /nfs/dbraw/zinc/14/87/02/525148702.db2.gz HXENCOPXHNGQME-CMPLNLGQSA-N 1 2 321.783 3.115 10 0 DGAELO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156012506 526041738 /nfs/dbraw/zinc/04/17/38/526041738.db2.gz WTASHOQZEJZQRB-GXTWGEPZSA-N 1 2 317.820 3.319 10 0 DGAELO CCOc1ccc(C[NH2+]C(C)(C)c2noc(CC)n2)cc1OC ZINC000441194748 528455677 /nfs/dbraw/zinc/45/56/77/528455677.db2.gz HUPYHCMORPTYJK-UHFFFAOYSA-N 1 2 319.405 3.064 10 0 DGAELO COC(=O)[C@H](C1CC1)[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469447157 536643421 /nfs/dbraw/zinc/64/34/21/536643421.db2.gz YUEQVEITULHHKM-KRWDZBQOSA-N 1 2 321.367 3.396 10 0 DGAELO Fc1ccc(Br)c(F)c1C[NH2+]Cc1ccccn1 ZINC000230306285 546273515 /nfs/dbraw/zinc/27/35/15/546273515.db2.gz ZCLMHFWXHSYCNH-UHFFFAOYSA-N 1 2 313.145 3.412 10 0 DGAELO C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000032083963 545668407 /nfs/dbraw/zinc/66/84/07/545668407.db2.gz IJDIMUDJWPSEPO-LLVKDONJSA-N 1 2 315.323 3.032 10 0 DGAELO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000052034711 545692013 /nfs/dbraw/zinc/69/20/13/545692013.db2.gz SNLYXLVSIFFXPP-AWEZNQCLSA-N 1 2 307.800 3.420 10 0 DGAELO Cn1c(Cl)cnc1C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000052034711 545692019 /nfs/dbraw/zinc/69/20/19/545692019.db2.gz SNLYXLVSIFFXPP-AWEZNQCLSA-N 1 2 307.800 3.420 10 0 DGAELO C[N@@H+]1CCO[C@@H](CNCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000112838901 545873695 /nfs/dbraw/zinc/87/36/95/545873695.db2.gz NIJBEBLBTFYSCD-VIFPVBQESA-N 1 2 323.651 3.067 10 0 DGAELO C[N@H+]1CCO[C@@H](CNCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000112838901 545873701 /nfs/dbraw/zinc/87/37/01/545873701.db2.gz NIJBEBLBTFYSCD-VIFPVBQESA-N 1 2 323.651 3.067 10 0 DGAELO COC[C@@H]([NH2+]Cc1noc2c1CCCC2)c1ccc(F)c(F)c1 ZINC000181426547 546156525 /nfs/dbraw/zinc/15/65/25/546156525.db2.gz PULCBHLWPWXRNV-MRXNPFEDSA-N 1 2 322.355 3.309 10 0 DGAELO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(N(C)C)no2)o1 ZINC000185265736 546187828 /nfs/dbraw/zinc/18/78/28/546187828.db2.gz PXPNHOYTEDMTFG-AWEZNQCLSA-N 1 2 318.421 3.408 10 0 DGAELO CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(N(C)C)no2)o1 ZINC000185265736 546187831 /nfs/dbraw/zinc/18/78/31/546187831.db2.gz PXPNHOYTEDMTFG-AWEZNQCLSA-N 1 2 318.421 3.408 10 0 DGAELO C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1c1cccc(F)c1 ZINC000189194154 546210446 /nfs/dbraw/zinc/21/04/46/546210446.db2.gz PVYKBPSFISWICH-SJKOYZFVSA-N 1 2 301.365 3.091 10 0 DGAELO C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1c1cccc(F)c1 ZINC000189194154 546210453 /nfs/dbraw/zinc/21/04/53/546210453.db2.gz PVYKBPSFISWICH-SJKOYZFVSA-N 1 2 301.365 3.091 10 0 DGAELO C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1c1cccc(F)c1 ZINC000189194164 546210884 /nfs/dbraw/zinc/21/08/84/546210884.db2.gz PVYKBPSFISWICH-YVEFUNNKSA-N 1 2 301.365 3.091 10 0 DGAELO C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1c1cccc(F)c1 ZINC000189194164 546210885 /nfs/dbraw/zinc/21/08/85/546210885.db2.gz PVYKBPSFISWICH-YVEFUNNKSA-N 1 2 301.365 3.091 10 0 DGAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(Cc1ccccc1)C(C)C)C2 ZINC000220573331 546264102 /nfs/dbraw/zinc/26/41/02/546264102.db2.gz DNAHECVYFHXDMK-MRXNPFEDSA-N 1 2 311.429 3.260 10 0 DGAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(Cc1ccccc1)C(C)C)CC2 ZINC000220573331 546264107 /nfs/dbraw/zinc/26/41/07/546264107.db2.gz DNAHECVYFHXDMK-MRXNPFEDSA-N 1 2 311.429 3.260 10 0 DGAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245944423 546301312 /nfs/dbraw/zinc/30/13/12/546301312.db2.gz KIEQDLYBUDJIAV-JECHBYEQSA-N 1 2 318.852 3.468 10 0 DGAELO CCCCCCOCC(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000730859204 574537529 /nfs/dbraw/zinc/53/75/29/574537529.db2.gz WFQKETOBKVODMO-UHFFFAOYSA-N 1 2 304.390 3.283 10 0 DGAELO C[N@H+](CC1CC1)Cn1[nH]c(-c2ccc3c(c2)CCC3)nc1=S ZINC000742145097 574982313 /nfs/dbraw/zinc/98/23/13/574982313.db2.gz DCPCRTPUJLFHKP-UHFFFAOYSA-N 1 2 314.458 3.396 10 0 DGAELO C[N@@H+](CC1CC1)Cn1[nH]c(-c2ccc3c(c2)CCC3)nc1=S ZINC000742145097 574982316 /nfs/dbraw/zinc/98/23/16/574982316.db2.gz DCPCRTPUJLFHKP-UHFFFAOYSA-N 1 2 314.458 3.396 10 0 DGAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(c2nc3ccccc3o2)C1 ZINC000888102957 618626337 /nfs/dbraw/zinc/62/63/37/618626337.db2.gz WQPBVAFFDVTSQK-OCCSQVGLSA-N 1 2 312.373 3.134 10 0 DGAELO O=c1ccc(-c2ccc(F)cc2)nn1C[NH+]1CCCCCCC1 ZINC000128997893 625363805 /nfs/dbraw/zinc/36/38/05/625363805.db2.gz MYAMWBLPAULOPE-UHFFFAOYSA-N 1 2 315.392 3.273 10 0 DGAELO CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000122870491 622422172 /nfs/dbraw/zinc/42/21/72/622422172.db2.gz UVHFOUXZQVKTQW-LBPRGKRZSA-N 1 2 305.422 3.180 10 0 DGAELO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCCc2nc(C)sc21 ZINC000125809672 623563148 /nfs/dbraw/zinc/56/31/48/623563148.db2.gz OJXHFKYDYMWHLG-UONOGXRCSA-N 1 2 308.447 3.247 10 0 DGAELO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCCc2nc(C)sc21 ZINC000125809672 623563150 /nfs/dbraw/zinc/56/31/50/623563150.db2.gz OJXHFKYDYMWHLG-UONOGXRCSA-N 1 2 308.447 3.247 10 0 DGAELO C[C@H]([NH2+][C@H]1CCCOC1)c1cc(Br)cc(F)c1O ZINC000185386938 660221286 /nfs/dbraw/zinc/22/12/86/660221286.db2.gz PJRAZHAGPBQWDF-WPRPVWTQSA-N 1 2 318.186 3.123 10 0 DGAELO Cn1c(Cl)cnc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000703318794 660777235 /nfs/dbraw/zinc/77/72/35/660777235.db2.gz PFANCXULCQUJSA-UHFFFAOYSA-N 1 2 309.744 3.444 10 0 DGAELO CCCCC[C@@H](C)NC(=O)C[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187226554 660974846 /nfs/dbraw/zinc/97/48/46/660974846.db2.gz DGXNFQLMRJYLRI-MCMMXHMISA-N 1 2 324.490 3.032 10 0 DGAELO NC(=O)C[NH+](C/C=C\c1ccccc1)C/C=C\c1ccccc1 ZINC000096822661 655699779 /nfs/dbraw/zinc/69/97/79/655699779.db2.gz APSFEFOXJCUHPN-PVRNWPCDSA-N 1 2 306.409 3.201 10 0 DGAELO C/C(=C/c1ccc(F)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000176780192 655811465 /nfs/dbraw/zinc/81/14/65/655811465.db2.gz WKFZRNAYVXHREZ-YPKPFQOOSA-N 1 2 313.376 3.242 10 0 DGAELO C[C@@H]([NH2+]Cc1cccc(O)c1Br)c1ccns1 ZINC000715899640 661215507 /nfs/dbraw/zinc/21/55/07/661215507.db2.gz OIPYGEUEZAIELE-MRVPVSSYSA-N 1 2 313.220 3.462 10 0 DGAELO Cc1cccc(CCCOCCOC(=O)C(C)(Cl)Cl)[nH+]1 ZINC000182323568 656105017 /nfs/dbraw/zinc/10/50/17/656105017.db2.gz QUOJWHYZRYQWJH-UHFFFAOYSA-N 1 2 320.216 3.076 10 0 DGAELO CCCNc1nc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c2ccccc21 ZINC000096205660 657513572 /nfs/dbraw/zinc/51/35/72/657513572.db2.gz QZAVAQWWLZWFJC-STQMWFEESA-N 1 2 300.406 3.065 10 0 DGAELO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1cc(Cl)ccc1Cl ZINC000262907671 658061173 /nfs/dbraw/zinc/06/11/73/658061173.db2.gz FISDMZXEXGBMKS-RDDDGLTNSA-N 1 2 323.170 3.168 10 0 DGAELO Cc1nc(N[C@@H]2COc3ccccc32)c(Br)c(C)[nH+]1 ZINC000323126755 658638663 /nfs/dbraw/zinc/63/86/63/658638663.db2.gz VHELIXDXFKIOHS-LLVKDONJSA-N 1 2 320.190 3.402 10 0 DGAELO Cc1cc2c(nc(N(C)C)[nH+]c2N2CCC[C@@H]2c2ccncc2)[nH]1 ZINC000223907269 659004462 /nfs/dbraw/zinc/00/44/62/659004462.db2.gz DLFODCHEHJOLCI-OAHLLOKOSA-N 1 2 322.416 3.069 10 0 DGAELO O=C(OCCSC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187566032 661898503 /nfs/dbraw/zinc/89/85/03/661898503.db2.gz YALXUOSROXSLBW-UHFFFAOYSA-N 1 2 316.304 3.282 10 0 DGAELO O[C@@H](C[N@H+](Cc1cocn1)Cc1ccccc1)c1cccs1 ZINC000191948985 662084652 /nfs/dbraw/zinc/08/46/52/662084652.db2.gz RHSPAVTZUJBCEY-INIZCTEOSA-N 1 2 314.410 3.472 10 0 DGAELO O[C@@H](C[N@@H+](Cc1cocn1)Cc1ccccc1)c1cccs1 ZINC000191948985 662084655 /nfs/dbraw/zinc/08/46/55/662084655.db2.gz RHSPAVTZUJBCEY-INIZCTEOSA-N 1 2 314.410 3.472 10 0 DGAELO CCn1c(C[NH2+]Cc2cnc(Cl)s2)nc2ccccc21 ZINC000718214329 662250142 /nfs/dbraw/zinc/25/01/42/662250142.db2.gz XWQTXYNMDKNAMQ-UHFFFAOYSA-N 1 2 306.822 3.456 10 0 DGAELO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000246995243 662295714 /nfs/dbraw/zinc/29/57/14/662295714.db2.gz SWONCDRTLPPHFP-ZIAGYGMSSA-N 1 2 310.463 3.363 10 0 DGAELO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000246995243 662295717 /nfs/dbraw/zinc/29/57/17/662295717.db2.gz SWONCDRTLPPHFP-ZIAGYGMSSA-N 1 2 310.463 3.363 10 0 DGAELO c1cc(N2CCOCC2)ccc1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000388146713 685186987 /nfs/dbraw/zinc/18/69/87/685186987.db2.gz HHUJUQBKYYGINS-INIZCTEOSA-N 1 2 302.418 3.037 10 0 DGAELO Cc1cc(C)c(CNC(=O)c2ccc(Cl)nc2Cl)c[nH+]1 ZINC000397100975 1176776139 /nfs/dbraw/zinc/77/61/39/1176776139.db2.gz PEYQDGROASBREP-UHFFFAOYSA-N 1 2 310.184 3.330 10 0 DGAELO C=CCOCCCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000079288415 1196936262 /nfs/dbraw/zinc/93/62/62/1196936262.db2.gz WOUAMLAXZJUJFT-HNNXBMFYSA-N 1 2 313.401 3.032 10 0 DGAELO CCCn1c[nH+]cc1CNc1cc2c(cc1Cl)OCCO2 ZINC000090204144 1198122028 /nfs/dbraw/zinc/12/20/28/1198122028.db2.gz ZMECKZYXZQYWTA-UHFFFAOYSA-N 1 2 307.781 3.330 10 0 DGAELO CC[C@H](C)[C@@H](O)C[NH2+][C@H](c1nccn1C)c1ccccc1Cl ZINC000180641776 1204332553 /nfs/dbraw/zinc/33/25/53/1204332553.db2.gz RREKLKXGNWGADL-RCBQFDQVSA-N 1 2 321.852 3.160 10 0 DGAELO C[C@@H]1Cc2cc(C[N@@H+]3CCC=C(Br)C3)ccc2O1 ZINC000720754094 1095719930 /nfs/dbraw/zinc/71/99/30/1095719930.db2.gz DLWVEUKNXRXJHP-LLVKDONJSA-N 1 2 308.219 3.495 10 0 DGAELO C[C@@H]1Cc2cc(C[N@H+]3CCC=C(Br)C3)ccc2O1 ZINC000720754094 1095719939 /nfs/dbraw/zinc/71/99/39/1095719939.db2.gz DLWVEUKNXRXJHP-LLVKDONJSA-N 1 2 308.219 3.495 10 0 DGAELO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(F)F ZINC000720829981 1095972749 /nfs/dbraw/zinc/97/27/49/1095972749.db2.gz QWCUIYDRFMPNCW-TZMCWYRMSA-N 1 2 312.360 3.031 10 0 DGAELO Cn1c[nH+]cc1CNc1nccc2c(Br)cccc21 ZINC000388460157 1108567494 /nfs/dbraw/zinc/56/74/94/1108567494.db2.gz FXHPXWPSLOTBSG-UHFFFAOYSA-N 1 2 317.190 3.343 10 0 DGAELO Cn1cc(CNc2cc[nH+]c(C3CC3)n2)c(-c2ccccc2)n1 ZINC000272876490 210266700 /nfs/dbraw/zinc/26/67/00/210266700.db2.gz FQJAOEYTLIFWGJ-UHFFFAOYSA-N 1 2 305.385 3.367 10 0 DGAELO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1nc(C2CC2)no1 ZINC000079288532 185163466 /nfs/dbraw/zinc/16/34/66/185163466.db2.gz WSWDUMOOLWKNTE-NXEZZACHSA-N 1 2 301.346 3.088 10 0 DGAELO CCc1cc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC000302084732 529536563 /nfs/dbraw/zinc/53/65/63/529536563.db2.gz KGMYOSKCEJPTKE-SJKOYZFVSA-N 1 2 315.392 3.453 10 0 DGAELO Cc1ccnc(C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)n1 ZINC000328875605 231373226 /nfs/dbraw/zinc/37/32/26/231373226.db2.gz SEEQANDUOWWZCO-GOSISDBHSA-N 1 2 322.412 3.382 10 0 DGAELO Cc1sc2nc(C[N@H+](C)CCC(F)(F)F)nc(N)c2c1C ZINC000088435731 185250493 /nfs/dbraw/zinc/25/04/93/185250493.db2.gz ZOIFKYYOHQYEOG-UHFFFAOYSA-N 1 2 318.368 3.275 10 0 DGAELO Cc1sc2nc(C[N@@H+](C)CCC(F)(F)F)nc(N)c2c1C ZINC000088435731 185250494 /nfs/dbraw/zinc/25/04/94/185250494.db2.gz ZOIFKYYOHQYEOG-UHFFFAOYSA-N 1 2 318.368 3.275 10 0 DGAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000088559936 185258076 /nfs/dbraw/zinc/25/80/76/185258076.db2.gz YKJUCIIJGRGGCB-HZMBPMFUSA-N 1 2 306.360 3.304 10 0 DGAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1F ZINC000088560176 185258088 /nfs/dbraw/zinc/25/80/88/185258088.db2.gz QEPPSPJSVZRHFI-QMTHXVAHSA-N 1 2 306.360 3.304 10 0 DGAELO CC(C)n1ncnc1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000088589766 185258687 /nfs/dbraw/zinc/25/86/87/185258687.db2.gz WMBNVUJXEYTAHE-NSHDSACASA-N 1 2 323.238 3.472 10 0 DGAELO Fc1cccc(-c2cnc(C[N@@H+]3CCOC[C@@H]3C3CC3)o2)c1 ZINC000090008661 185276964 /nfs/dbraw/zinc/27/69/64/185276964.db2.gz AGHIAHVWCVYWGU-OAHLLOKOSA-N 1 2 302.349 3.092 10 0 DGAELO Fc1cccc(-c2cnc(C[N@H+]3CCOC[C@@H]3C3CC3)o2)c1 ZINC000090008661 185276965 /nfs/dbraw/zinc/27/69/65/185276965.db2.gz AGHIAHVWCVYWGU-OAHLLOKOSA-N 1 2 302.349 3.092 10 0 DGAELO COC(=O)c1ccccc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000092593338 185327897 /nfs/dbraw/zinc/32/78/97/185327897.db2.gz CHVYNNGAUVTBAH-HNNXBMFYSA-N 1 2 317.410 3.108 10 0 DGAELO COC(=O)c1ccccc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000092593338 185327898 /nfs/dbraw/zinc/32/78/98/185327898.db2.gz CHVYNNGAUVTBAH-HNNXBMFYSA-N 1 2 317.410 3.108 10 0 DGAELO Cc1csc([C@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)n1 ZINC000092790191 185341267 /nfs/dbraw/zinc/34/12/67/185341267.db2.gz KMNZOXJDFYLETF-CYBMUJFWSA-N 1 2 320.462 3.046 10 0 DGAELO Cc1csc([C@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)n1 ZINC000092790191 185341268 /nfs/dbraw/zinc/34/12/68/185341268.db2.gz KMNZOXJDFYLETF-CYBMUJFWSA-N 1 2 320.462 3.046 10 0 DGAELO CN(C)c1noc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000185271865 529818815 /nfs/dbraw/zinc/81/88/15/529818815.db2.gz SSZBRRBWBVBOPI-QGZVFWFLSA-N 1 2 322.412 3.209 10 0 DGAELO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000130145570 432016138 /nfs/dbraw/zinc/01/61/38/432016138.db2.gz FFGSQPQEPMQCFH-SFHVURJKSA-N 1 2 307.401 3.245 10 0 DGAELO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000130145570 432016140 /nfs/dbraw/zinc/01/61/40/432016140.db2.gz FFGSQPQEPMQCFH-SFHVURJKSA-N 1 2 307.401 3.245 10 0 DGAELO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3csnn3)C2)n1 ZINC000130215300 432018074 /nfs/dbraw/zinc/01/80/74/432018074.db2.gz CRAYPBCTLSAINS-LLVKDONJSA-N 1 2 308.476 3.498 10 0 DGAELO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3csnn3)C2)n1 ZINC000130215300 432018076 /nfs/dbraw/zinc/01/80/76/432018076.db2.gz CRAYPBCTLSAINS-LLVKDONJSA-N 1 2 308.476 3.498 10 0 DGAELO CC[C@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)c1ccc(OC)cc1 ZINC000080507823 192163889 /nfs/dbraw/zinc/16/38/89/192163889.db2.gz YZNOAADTLPBZBH-CVEARBPZSA-N 1 2 313.401 3.037 10 0 DGAELO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000179702030 186207203 /nfs/dbraw/zinc/20/72/03/186207203.db2.gz CCOFMWFGMQOGOI-IBGZPJMESA-N 1 2 319.408 3.168 10 0 DGAELO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000179702030 186207205 /nfs/dbraw/zinc/20/72/05/186207205.db2.gz CCOFMWFGMQOGOI-IBGZPJMESA-N 1 2 319.408 3.168 10 0 DGAELO OC[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000179702030 186207207 /nfs/dbraw/zinc/20/72/07/186207207.db2.gz CCOFMWFGMQOGOI-IBGZPJMESA-N 1 2 319.408 3.168 10 0 DGAELO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000179702030 186207208 /nfs/dbraw/zinc/20/72/08/186207208.db2.gz CCOFMWFGMQOGOI-IBGZPJMESA-N 1 2 319.408 3.168 10 0 DGAELO CSCC(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000171911841 198007255 /nfs/dbraw/zinc/00/72/55/198007255.db2.gz QELXUMFUHHSJRV-UHFFFAOYSA-N 1 2 321.471 3.077 10 0 DGAELO CSCC(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000171911841 198007257 /nfs/dbraw/zinc/00/72/57/198007257.db2.gz QELXUMFUHHSJRV-UHFFFAOYSA-N 1 2 321.471 3.077 10 0 DGAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(Cl)n1 ZINC000072562286 191193052 /nfs/dbraw/zinc/19/30/52/191193052.db2.gz SJOCRBDPDFKRBY-UBHSHLNASA-N 1 2 308.809 3.041 10 0 DGAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(Cl)n1 ZINC000072562286 191193054 /nfs/dbraw/zinc/19/30/54/191193054.db2.gz SJOCRBDPDFKRBY-UBHSHLNASA-N 1 2 308.809 3.041 10 0 DGAELO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 ZINC000172900912 198165332 /nfs/dbraw/zinc/16/53/32/198165332.db2.gz RFNQXYMETPVHSW-SUMWQHHRSA-N 1 2 316.376 3.191 10 0 DGAELO COc1cccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 ZINC000172900912 198165334 /nfs/dbraw/zinc/16/53/34/198165334.db2.gz RFNQXYMETPVHSW-SUMWQHHRSA-N 1 2 316.376 3.191 10 0 DGAELO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2nnc(C)n2CC)o1 ZINC000172871485 198159962 /nfs/dbraw/zinc/15/99/62/198159962.db2.gz HXXRATDFBKBCPE-HNNXBMFYSA-N 1 2 302.422 3.489 10 0 DGAELO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2nnc(C)n2CC)o1 ZINC000172871485 198159964 /nfs/dbraw/zinc/15/99/64/198159964.db2.gz HXXRATDFBKBCPE-HNNXBMFYSA-N 1 2 302.422 3.489 10 0 DGAELO Cc1nc(C[N@@H+]2CCOC3(CCCCC3)C2)nc2ccccc12 ZINC000072717050 191221197 /nfs/dbraw/zinc/22/11/97/191221197.db2.gz LLYXERMJOGQVQW-UHFFFAOYSA-N 1 2 311.429 3.473 10 0 DGAELO Cc1nc(C[N@H+]2CCOC3(CCCCC3)C2)nc2ccccc12 ZINC000072717050 191221200 /nfs/dbraw/zinc/22/12/00/191221200.db2.gz LLYXERMJOGQVQW-UHFFFAOYSA-N 1 2 311.429 3.473 10 0 DGAELO Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc[nH+]cc1C ZINC000107288502 432030456 /nfs/dbraw/zinc/03/04/56/432030456.db2.gz UOXMAAJPKOJFAW-UHFFFAOYSA-N 1 2 300.406 3.041 10 0 DGAELO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000173173456 198192297 /nfs/dbraw/zinc/19/22/97/198192297.db2.gz SXCILSRUNCOACL-CHWSQXEVSA-N 1 2 319.405 3.022 10 0 DGAELO O[C@H](C[NH2+]C1(c2noc(C3CC3)n2)CCCC1)c1ccccc1 ZINC000173709409 198242939 /nfs/dbraw/zinc/24/29/39/198242939.db2.gz IMWMDZOSLXATCS-OAHLLOKOSA-N 1 2 313.401 3.040 10 0 DGAELO 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ZINC000367661988 271059807 /nfs/dbraw/zinc/05/98/07/271059807.db2.gz NMRNUOKAVQXVCK-SNVBAGLBSA-N 1 2 302.187 3.199 10 0 DGAELO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1F ZINC000369212084 271252404 /nfs/dbraw/zinc/25/24/04/271252404.db2.gz ABUSIELLBFVPCU-OAHLLOKOSA-N 1 2 303.381 3.295 10 0 DGAELO COc1cccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1F ZINC000369212084 271252408 /nfs/dbraw/zinc/25/24/08/271252408.db2.gz ABUSIELLBFVPCU-OAHLLOKOSA-N 1 2 303.381 3.295 10 0 DGAELO COc1cccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000369881730 271327741 /nfs/dbraw/zinc/32/77/41/271327741.db2.gz DSQSWWGKZQAHKK-GFCCVEGCSA-N 1 2 313.401 3.285 10 0 DGAELO COc1cccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000369881730 271327745 /nfs/dbraw/zinc/32/77/45/271327745.db2.gz DSQSWWGKZQAHKK-GFCCVEGCSA-N 1 2 313.401 3.285 10 0 DGAELO Cc1cnn(C[C@H]2C[N@H+]([C@H](C)c3cccc(Cl)c3)CCO2)c1 ZINC000247809565 432251399 /nfs/dbraw/zinc/25/13/99/432251399.db2.gz ULSWPABSWHSUFJ-RHSMWYFYSA-N 1 2 319.836 3.307 10 0 DGAELO Cc1cnn(C[C@H]2C[N@@H+]([C@H](C)c3cccc(Cl)c3)CCO2)c1 ZINC000247809565 432251401 /nfs/dbraw/zinc/25/14/01/432251401.db2.gz ULSWPABSWHSUFJ-RHSMWYFYSA-N 1 2 319.836 3.307 10 0 DGAELO CC(C)c1cnc(C[NH+]2CCC(Nc3cccnn3)CC2)s1 ZINC000183054118 432253713 /nfs/dbraw/zinc/25/37/13/432253713.db2.gz PHQJVVFXNRLZBG-UHFFFAOYSA-N 1 2 317.462 3.133 10 0 DGAELO CC(C)c1cnc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000183100979 432258397 /nfs/dbraw/zinc/25/83/97/432258397.db2.gz VOOUIHSKBSRNBM-CQSZACIVSA-N 1 2 303.431 3.315 10 0 DGAELO CC(C)c1cnc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000183100979 432258400 /nfs/dbraw/zinc/25/84/00/432258400.db2.gz VOOUIHSKBSRNBM-CQSZACIVSA-N 1 2 303.431 3.315 10 0 DGAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1c(F)cccc1F)C2 ZINC000123352264 275762159 /nfs/dbraw/zinc/76/21/59/275762159.db2.gz NCKZTGCKYHCRKJ-UHFFFAOYSA-N 1 2 305.372 3.380 10 0 DGAELO CC(C)c1nnc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)n1C ZINC000190177453 276074312 /nfs/dbraw/zinc/07/43/12/276074312.db2.gz HRERHLCEHLMHPG-NSHDSACASA-N 1 2 318.387 3.349 10 0 DGAELO CC(C)c1nnc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)n1C ZINC000190177453 276074314 /nfs/dbraw/zinc/07/43/14/276074314.db2.gz HRERHLCEHLMHPG-NSHDSACASA-N 1 2 318.387 3.349 10 0 DGAELO c1[nH+]cn2c1c(N[C@@H]1CCO[C@H](C3CC3)C1)nc1ccccc12 ZINC000624104693 429931466 /nfs/dbraw/zinc/93/14/66/429931466.db2.gz FGRMMQPCGUWGOH-DYVFJYSZSA-N 1 2 308.385 3.252 10 0 DGAELO COc1cc(Cl)ccc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000131381511 292653452 /nfs/dbraw/zinc/65/34/52/292653452.db2.gz RKZNPFAZYYPRSK-UHFFFAOYSA-N 1 2 321.808 3.131 10 0 DGAELO COc1c(C)cnc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1C ZINC000114482763 277362682 /nfs/dbraw/zinc/36/26/82/277362682.db2.gz RXUGQTGCPDPMCP-INIZCTEOSA-N 1 2 300.406 3.157 10 0 DGAELO COc1c(C)cnc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1C ZINC000114482763 277362683 /nfs/dbraw/zinc/36/26/83/277362683.db2.gz RXUGQTGCPDPMCP-INIZCTEOSA-N 1 2 300.406 3.157 10 0 DGAELO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2ccon2)o1 ZINC000608510953 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CCCc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061923 293153028 /nfs/dbraw/zinc/15/30/28/293153028.db2.gz IMPMERFEYKETMJ-QGZVFWFLSA-N 1 2 311.429 3.392 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCCC1(C)C)C2 ZINC000370165212 293160210 /nfs/dbraw/zinc/16/02/10/293160210.db2.gz ULANMGDUNSDFNT-WFASDCNBSA-N 1 2 303.450 3.333 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCCC1(C)C)CC2 ZINC000370165212 293160211 /nfs/dbraw/zinc/16/02/11/293160211.db2.gz ULANMGDUNSDFNT-WFASDCNBSA-N 1 2 303.450 3.333 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1(C(C)C)CC1)C2 ZINC000372384384 293241339 /nfs/dbraw/zinc/24/13/39/293241339.db2.gz FAGXEHQICSZZLW-CYBMUJFWSA-N 1 2 303.450 3.190 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1(C(C)C)CC1)CC2 ZINC000372384384 293241342 /nfs/dbraw/zinc/24/13/42/293241342.db2.gz FAGXEHQICSZZLW-CYBMUJFWSA-N 1 2 303.450 3.190 10 0 DGAELO Brc1cccc2c(N3C[C@H]4CC[C@@H](C3)O4)cc[nH+]c12 ZINC000374091140 293350879 /nfs/dbraw/zinc/35/08/79/293350879.db2.gz IAPKWRBASZKJRW-PHIMTYICSA-N 1 2 319.202 3.365 10 0 DGAELO CCCCC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000374156201 293359623 /nfs/dbraw/zinc/35/96/23/293359623.db2.gz FAEYLMCLNQWORN-DOTOQJQBSA-N 1 2 320.481 3.032 10 0 DGAELO CCCCC[C@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000374156201 293359625 /nfs/dbraw/zinc/35/96/25/293359625.db2.gz FAEYLMCLNQWORN-DOTOQJQBSA-N 1 2 320.481 3.032 10 0 DGAELO CN(C)c1ccc(NCc2ccc3c(c2)OCCCCO3)c[nH+]1 ZINC000449057940 433714397 /nfs/dbraw/zinc/71/43/97/433714397.db2.gz FPKUUTFVMQUNJE-UHFFFAOYSA-N 1 2 313.401 3.311 10 0 DGAELO c1ccc2[nH+]c(NCc3ccnc(O[C@H]4CCOC4)c3)ccc2c1 ZINC000301902210 433788208 /nfs/dbraw/zinc/78/82/08/433788208.db2.gz WEWRTCQTNDOYQE-INIZCTEOSA-N 1 2 321.380 3.410 10 0 DGAELO Clc1ccc(C[NH+]2CCN(c3ccnc(Cl)c3)CC2)nc1 ZINC000302167711 433815598 /nfs/dbraw/zinc/81/55/98/433815598.db2.gz PHTFNEHVOSIFRL-UHFFFAOYSA-N 1 2 323.227 3.106 10 0 DGAELO c1ccc2nc(CNc3cc(N4CCCC4)nc[nH+]3)ccc2c1 ZINC000357171677 433895179 /nfs/dbraw/zinc/89/51/79/433895179.db2.gz KHBSPODDVNDKIU-UHFFFAOYSA-N 1 2 305.385 3.237 10 0 DGAELO c1ccc2nc(CNc3cc(N4CCCC4)[nH+]cn3)ccc2c1 ZINC000357171677 433895189 /nfs/dbraw/zinc/89/51/89/433895189.db2.gz KHBSPODDVNDKIU-UHFFFAOYSA-N 1 2 305.385 3.237 10 0 DGAELO O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCO[C@@H](C2CC2)C1 ZINC000377393035 293653897 /nfs/dbraw/zinc/65/38/97/293653897.db2.gz QYBLDNBQOOBKLV-GOSISDBHSA-N 1 2 324.380 3.125 10 0 DGAELO c1cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)n(-c2ccccc2)n1 ZINC000294024894 433969507 /nfs/dbraw/zinc/96/95/07/433969507.db2.gz NRTUHLMBJDCLSY-RBUKOAKNSA-N 1 2 309.413 3.016 10 0 DGAELO c1cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)n(-c2ccccc2)n1 ZINC000294024894 433969513 /nfs/dbraw/zinc/96/95/13/433969513.db2.gz NRTUHLMBJDCLSY-RBUKOAKNSA-N 1 2 309.413 3.016 10 0 DGAELO Cn1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c(C(C)(C)C)n1 ZINC000179888210 294236939 /nfs/dbraw/zinc/23/69/39/294236939.db2.gz SESBOKKSLOIVJX-AWEZNQCLSA-N 1 2 319.474 3.353 10 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ZINC000527005852 295070001 /nfs/dbraw/zinc/07/00/01/295070001.db2.gz BAEFSOOBLMRPCY-SNVBAGLBSA-N 1 2 317.364 3.121 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(O)cc1F)CC2 ZINC000527005852 295070002 /nfs/dbraw/zinc/07/00/02/295070002.db2.gz BAEFSOOBLMRPCY-SNVBAGLBSA-N 1 2 317.364 3.121 10 0 DGAELO c1nnc([C@H](NC[C@H]2CC[N@@H+]2C2CCCC2)C2CCCCC2)[nH]1 ZINC000527999143 295163381 /nfs/dbraw/zinc/16/33/81/295163381.db2.gz FNROHDHLAWJJNN-IAGOWNOFSA-N 1 2 317.481 3.033 10 0 DGAELO c1nnc([C@H](NC[C@H]2CC[N@H+]2C2CCCC2)C2CCCCC2)[nH]1 ZINC000527999143 295163382 /nfs/dbraw/zinc/16/33/82/295163382.db2.gz FNROHDHLAWJJNN-IAGOWNOFSA-N 1 2 317.481 3.033 10 0 DGAELO c1nnc([C@H]([NH2+]C[C@H]2CCN2C2CCCC2)C2CCCCC2)[nH]1 ZINC000527999143 295163384 /nfs/dbraw/zinc/16/33/84/295163384.db2.gz FNROHDHLAWJJNN-IAGOWNOFSA-N 1 2 317.481 3.033 10 0 DGAELO c1nn(-c2ccccc2)c2nc[nH+]c(NCC[C@H]3CCCOC3)c12 ZINC000528072475 295172851 /nfs/dbraw/zinc/17/28/51/295172851.db2.gz OGFCCRGPOMAQAB-CQSZACIVSA-N 1 2 323.400 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CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(C(C)C)n2C)C1(C)C ZINC000177740679 432655109 /nfs/dbraw/zinc/65/51/09/432655109.db2.gz TWUXWUDCTDJHSJ-HUUCEWRRSA-N 1 2 322.497 3.354 10 0 DGAELO Cc1cc(Cl)ccc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000158854498 432659954 /nfs/dbraw/zinc/65/99/54/432659954.db2.gz IESUTBLJQUTVLH-UHFFFAOYSA-N 1 2 305.809 3.431 10 0 DGAELO CC(C)CCNC(=O)[C@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177783268 432660053 /nfs/dbraw/zinc/66/00/53/432660053.db2.gz JAOYIVRDIDKTRK-ZDUSSCGKSA-N 1 2 323.506 3.005 10 0 DGAELO CC(C)CCNC(=O)[C@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177783268 432660057 /nfs/dbraw/zinc/66/00/57/432660057.db2.gz JAOYIVRDIDKTRK-ZDUSSCGKSA-N 1 2 323.506 3.005 10 0 DGAELO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177780976 432661401 /nfs/dbraw/zinc/66/14/01/432661401.db2.gz QICBLSWAGDTKDY-GFCCVEGCSA-N 1 2 323.506 3.147 10 0 DGAELO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177780976 432661404 /nfs/dbraw/zinc/66/14/04/432661404.db2.gz 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QJSBGQPJJCYJAX-UHFFFAOYSA-N 1 2 317.433 3.349 10 0 DGAELO CCc1noc(C)c1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000155813420 288659786 /nfs/dbraw/zinc/65/97/86/288659786.db2.gz ASDPBOHZSHYCKL-GFCCVEGCSA-N 1 2 303.366 3.028 10 0 DGAELO C[C@@H]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000178939262 432789547 /nfs/dbraw/zinc/78/95/47/432789547.db2.gz DGKNLNWQUGGELQ-RHSMWYFYSA-N 1 2 312.417 3.211 10 0 DGAELO Fc1ccc2c(c1)[C@H]([NH2+]Cc1nccn1C(F)F)CCCO2 ZINC000161762867 432796448 /nfs/dbraw/zinc/79/64/48/432796448.db2.gz RFSFGRLRHFJOHJ-GFCCVEGCSA-N 1 2 311.307 3.421 10 0 DGAELO CN(C)c1noc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000189589314 432801707 /nfs/dbraw/zinc/80/17/07/432801707.db2.gz AGUWQOYGYINRBT-AWEZNQCLSA-N 1 2 306.797 3.030 10 0 DGAELO COc1cccc2c1[nH+]cc(C)c2N1CCC([C@H](C)O)CC1 ZINC000276385359 432802068 /nfs/dbraw/zinc/80/20/68/432802068.db2.gz ZCHHDEFKEQJIQW-ZDUSSCGKSA-N 1 2 300.402 3.149 10 0 DGAELO C[C@H]1C[N@H+](Cc2cnn3ccccc23)C[C@@H](c2ccsc2)O1 ZINC000245707238 432857588 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Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[C@H](CC(C)C)C1)CCC2 ZINC000332695308 433014048 /nfs/dbraw/zinc/01/40/48/433014048.db2.gz XRJMRKSVNGLFIR-HZPDHXFCSA-N 1 2 318.465 3.147 10 0 DGAELO CN1C(=O)c2ccccc2[C@]1(c1ccc(Cl)cc1)[NH+](C)C ZINC000136802156 289342835 /nfs/dbraw/zinc/34/28/35/289342835.db2.gz XVFLHIWTYGAGHK-QGZVFWFLSA-N 1 2 300.789 3.188 10 0 DGAELO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)C2 ZINC000361589272 433265726 /nfs/dbraw/zinc/26/57/26/433265726.db2.gz UXIWZOMKTKEITK-XHSDSOJGSA-N 1 2 300.446 3.204 10 0 DGAELO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)C2 ZINC000361589272 433265734 /nfs/dbraw/zinc/26/57/34/433265734.db2.gz UXIWZOMKTKEITK-XHSDSOJGSA-N 1 2 300.446 3.204 10 0 DGAELO c1ncn(-c2ccc(CNc3ccc4ccccc4[nH+]3)cc2)n1 ZINC000301081075 433405626 /nfs/dbraw/zinc/40/56/26/433405626.db2.gz IMXQDIBIDCVGRT-UHFFFAOYSA-N 1 2 301.353 3.428 10 0 DGAELO Cc1n[nH]cc1C1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000375353161 433438874 /nfs/dbraw/zinc/43/88/74/433438874.db2.gz KYPMAJOUMLQXQE-UHFFFAOYSA-N 1 2 323.400 3.148 10 0 DGAELO CN(Cc1ccc(F)cc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000301178630 433443857 /nfs/dbraw/zinc/44/38/57/433443857.db2.gz HACVCJDGXQDKJO-UHFFFAOYSA-N 1 2 300.381 3.242 10 0 DGAELO CN(Cc1ccc(F)cc1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000301178630 433443863 /nfs/dbraw/zinc/44/38/63/433443863.db2.gz HACVCJDGXQDKJO-UHFFFAOYSA-N 1 2 300.381 3.242 10 0 DGAELO O=C(CNc1ccc2ccccc2[nH+]1)N1CCc2sccc2C1 ZINC000301197112 433448614 /nfs/dbraw/zinc/44/86/14/433448614.db2.gz UOXZQUHTXDIJOG-UHFFFAOYSA-N 1 2 323.421 3.293 10 0 DGAELO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000362237901 433596165 /nfs/dbraw/zinc/59/61/65/433596165.db2.gz PHFHFSWAHNIIQM-SNVBAGLBSA-N 1 2 302.187 3.199 10 0 DGAELO C[C@@H]1CCOCC[N@H+]1Cc1ccc(F)cc1Br ZINC000362237901 433596175 /nfs/dbraw/zinc/59/61/75/433596175.db2.gz PHFHFSWAHNIIQM-SNVBAGLBSA-N 1 2 302.187 3.199 10 0 DGAELO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Cl)c(F)c2)c2[nH+]ccn21 ZINC000456349535 433608566 /nfs/dbraw/zinc/60/85/66/433608566.db2.gz AEHXYOBYFNKXSK-NOZJJQNGSA-N 1 2 307.756 3.040 10 0 DGAELO O=C(C1CCCC1)N1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000301693862 433679474 /nfs/dbraw/zinc/67/94/74/433679474.db2.gz YWVQSUFSIXWGGH-INIZCTEOSA-N 1 2 309.413 3.438 10 0 DGAELO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)CC2 ZINC000339621809 433689833 /nfs/dbraw/zinc/68/98/33/433689833.db2.gz AGOMXZLVGYKVIA-ZDUSSCGKSA-N 1 2 317.429 3.020 10 0 DGAELO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)CC2 ZINC000339621809 433689838 /nfs/dbraw/zinc/68/98/38/433689838.db2.gz AGOMXZLVGYKVIA-ZDUSSCGKSA-N 1 2 317.429 3.020 10 0 DGAELO c1cc([C@@H]2C[N@H+](Cc3cc4cccnc4o3)CCO2)cs1 ZINC000449038362 433698762 /nfs/dbraw/zinc/69/87/62/433698762.db2.gz UBDFDSPJWRTIMV-HNNXBMFYSA-N 1 2 300.383 3.463 10 0 DGAELO c1cc([C@@H]2C[N@@H+](Cc3cc4cccnc4o3)CCO2)cs1 ZINC000449038362 433698766 /nfs/dbraw/zinc/69/87/66/433698766.db2.gz UBDFDSPJWRTIMV-HNNXBMFYSA-N 1 2 300.383 3.463 10 0 DGAELO c1ccc(-c2nc(=NC3CC([NH+]4CCCCC4)C3)s[nH]2)cc1 ZINC000373669058 293303879 /nfs/dbraw/zinc/30/38/79/293303879.db2.gz ASSPSLIGUOZUKF-UHFFFAOYSA-N 1 2 314.458 3.056 10 0 DGAELO Cc1nnc([C@@H]2CCCC[N@H+]2CCO[C@H]2CCCC[C@@H]2C)[nH]1 ZINC000328700746 293365833 /nfs/dbraw/zinc/36/58/33/293365833.db2.gz WHENRKNJAQJQEX-BPUTZDHNSA-N 1 2 306.454 3.235 10 0 DGAELO Cc1nnc([C@@H]2CCCC[N@@H+]2CCO[C@H]2CCCC[C@@H]2C)[nH]1 ZINC000328700746 293365834 /nfs/dbraw/zinc/36/58/34/293365834.db2.gz WHENRKNJAQJQEX-BPUTZDHNSA-N 1 2 306.454 3.235 10 0 DGAELO CO[C@@H]1CCC[C@@H](Nc2cc(N3CCC[C@H](C)C3)nc[nH+]2)C1 ZINC000301775282 433713845 /nfs/dbraw/zinc/71/38/45/433713845.db2.gz LCCNFANCPLSKNF-RRFJBIMHSA-N 1 2 304.438 3.082 10 0 DGAELO CO[C@@H]1CCC[C@@H](Nc2cc(N3CCC[C@H](C)C3)[nH+]cn2)C1 ZINC000301775282 433713855 /nfs/dbraw/zinc/71/38/55/433713855.db2.gz LCCNFANCPLSKNF-RRFJBIMHSA-N 1 2 304.438 3.082 10 0 DGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000090224279 293526075 /nfs/dbraw/zinc/52/60/75/293526075.db2.gz AVFYZMSPGXOTDN-GXFFZTMASA-N 1 2 317.462 3.108 10 0 DGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000090227959 293526560 /nfs/dbraw/zinc/52/65/60/293526560.db2.gz BIZXQHRHKNTNDE-HZPDHXFCSA-N 1 2 324.428 3.458 10 0 DGAELO Cc1[nH+]c2ccc(C(=O)N[C@H](C(C)C)C(F)(F)F)cc2n1C ZINC000356989800 433807107 /nfs/dbraw/zinc/80/71/07/433807107.db2.gz UXHASJKVBUJVOL-CYBMUJFWSA-N 1 2 313.323 3.198 10 0 DGAELO O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(c2cccnc2)CCCC1 ZINC000362697455 433825970 /nfs/dbraw/zinc/82/59/70/433825970.db2.gz BJNAWLUTIMDPTD-UHFFFAOYSA-N 1 2 324.428 3.023 10 0 DGAELO c1coc([C@@H]([NH2+]Cc2cn3cccnc3n2)c2ccccc2)c1 ZINC000357044693 433843447 /nfs/dbraw/zinc/84/34/47/433843447.db2.gz SHYJLDIZOJIQGO-KRWDZBQOSA-N 1 2 304.353 3.202 10 0 DGAELO CSC1(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CCC1 ZINC000302851514 433880743 /nfs/dbraw/zinc/88/07/43/433880743.db2.gz IZHHKMOPIIKHAL-CYBMUJFWSA-N 1 2 306.479 3.411 10 0 DGAELO CSC1(CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CCC1 ZINC000302851514 433880753 /nfs/dbraw/zinc/88/07/53/433880753.db2.gz IZHHKMOPIIKHAL-CYBMUJFWSA-N 1 2 306.479 3.411 10 0 DGAELO CCC1CCC(Nc2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000302869638 433891507 /nfs/dbraw/zinc/89/15/07/433891507.db2.gz AUSZYMZAZYGFPA-GPANFISMSA-N 1 2 318.465 3.209 10 0 DGAELO CCC1CCC(Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000302869638 433891512 /nfs/dbraw/zinc/89/15/12/433891512.db2.gz AUSZYMZAZYGFPA-GPANFISMSA-N 1 2 318.465 3.209 10 0 DGAELO c1ccc2c(c1)nc(CNc1cc[nH+]c3ccncc13)n2C1CC1 ZINC000357448300 434023437 /nfs/dbraw/zinc/02/34/37/434023437.db2.gz ZBHUJPWLRYTUJF-UHFFFAOYSA-N 1 2 315.380 3.348 10 0 DGAELO O=C(C[NH2+]Cc1cc(Cl)sc1Cl)NC1CCCC1 ZINC000312754391 434118891 /nfs/dbraw/zinc/11/88/91/434118891.db2.gz NGBKIGWWQGRBNR-UHFFFAOYSA-N 1 2 307.246 3.203 10 0 DGAELO CC(C)c1nnc(C[N@H+](C)CCN(C)c2ccccc2)s1 ZINC000450385301 434146858 /nfs/dbraw/zinc/14/68/58/434146858.db2.gz DAEABYACNMMYMW-UHFFFAOYSA-N 1 2 304.463 3.230 10 0 DGAELO CC(C)c1nnc(C[N@@H+](C)CCN(C)c2ccccc2)s1 ZINC000450385301 434146868 /nfs/dbraw/zinc/14/68/68/434146868.db2.gz DAEABYACNMMYMW-UHFFFAOYSA-N 1 2 304.463 3.230 10 0 DGAELO COC(=O)[C@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)C1CC1 ZINC000513444344 294473203 /nfs/dbraw/zinc/47/32/03/294473203.db2.gz RUJHQHFAOAGKLA-NOZJJQNGSA-N 1 2 301.308 3.308 10 0 DGAELO COC(=O)[C@@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000513458881 294473727 /nfs/dbraw/zinc/47/37/27/294473727.db2.gz VNJBEPSWYZXNMR-ZDUSSCGKSA-N 1 2 302.201 3.077 10 0 DGAELO Brc1ccccc1CCNc1cc[nH+]c(C2CC2)n1 ZINC000346952696 434262724 /nfs/dbraw/zinc/26/27/24/434262724.db2.gz YVULIPLXRHVSDF-UHFFFAOYSA-N 1 2 318.218 3.771 10 0 DGAELO COc1cccc(/C(C)=C/C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000364093348 434229812 /nfs/dbraw/zinc/22/98/12/434229812.db2.gz KUEVYVHXOICOPP-SICOMBFOSA-N 1 2 311.385 3.185 10 0 DGAELO O=C(C[C@H]1CCOc2ccccc21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329148578 434367615 /nfs/dbraw/zinc/36/76/15/434367615.db2.gz PUNPWEWLNNECLO-HIFRSBDPSA-N 1 2 311.385 3.030 10 0 DGAELO CC(C)(O)C[N@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000450687427 434338944 /nfs/dbraw/zinc/33/89/44/434338944.db2.gz BCYXMGQRDQETIU-UHFFFAOYSA-N 1 2 317.458 3.189 10 0 DGAELO CC(C)(O)C[N@@H+](Cc1nnc(C2CC2)s1)Cc1ccccc1 ZINC000450687427 434338949 /nfs/dbraw/zinc/33/89/49/434338949.db2.gz BCYXMGQRDQETIU-UHFFFAOYSA-N 1 2 317.458 3.189 10 0 DGAELO FC(F)C1([NH2+]Cc2cccc(I)c2)CC1 ZINC000389892858 434350122 /nfs/dbraw/zinc/35/01/22/434350122.db2.gz WXCUIFCRILAXLZ-UHFFFAOYSA-N 1 2 323.124 3.179 10 0 DGAELO CCO[C@H]1C[C@]([NH2+]CCC2=CCCCC2)(C(=O)OC)C1(C)C ZINC000450817432 434423503 /nfs/dbraw/zinc/42/35/03/434423503.db2.gz FBHMCDMQXXDXIW-YJBOKZPZSA-N 1 2 309.450 3.213 10 0 DGAELO CC1=C(C)CN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000366466449 434423535 /nfs/dbraw/zinc/42/35/35/434423535.db2.gz PVBKMJDTEUFWDT-AWEZNQCLSA-N 1 2 301.434 3.207 10 0 DGAELO CC1=C(C)CN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000366466449 434423541 /nfs/dbraw/zinc/42/35/41/434423541.db2.gz PVBKMJDTEUFWDT-AWEZNQCLSA-N 1 2 301.434 3.207 10 0 DGAELO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000366607352 434462562 /nfs/dbraw/zinc/46/25/62/434462562.db2.gz JEDBHIBCSDUVKR-XUWVNRHRSA-N 1 2 301.434 3.393 10 0 DGAELO CC1(C)C[N@H+](Cc2nc(C3CCCC3)no2)[C@H]1[C@H]1CCCO1 ZINC000329775762 434480256 /nfs/dbraw/zinc/48/02/56/434480256.db2.gz JLLUUAXQYFSKDK-HIFRSBDPSA-N 1 2 305.422 3.117 10 0 DGAELO CC1(C)C[N@@H+](Cc2nc(C3CCCC3)no2)[C@H]1[C@H]1CCCO1 ZINC000329775762 434480266 /nfs/dbraw/zinc/48/02/66/434480266.db2.gz JLLUUAXQYFSKDK-HIFRSBDPSA-N 1 2 305.422 3.117 10 0 DGAELO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3ccnc(C)n3)nc2c1 ZINC000451014650 434532666 /nfs/dbraw/zinc/53/26/66/434532666.db2.gz JOKIFBGYEXYRON-QGZVFWFLSA-N 1 2 307.401 3.307 10 0 DGAELO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3ccnc(C)n3)nc2c1 ZINC000451014650 434532672 /nfs/dbraw/zinc/53/26/72/434532672.db2.gz JOKIFBGYEXYRON-QGZVFWFLSA-N 1 2 307.401 3.307 10 0 DGAELO Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3ccnc(C)n3)[nH]c2c1 ZINC000451014650 434532677 /nfs/dbraw/zinc/53/26/77/434532677.db2.gz JOKIFBGYEXYRON-QGZVFWFLSA-N 1 2 307.401 3.307 10 0 DGAELO Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3ccnc(C)n3)[nH]c2c1 ZINC000451014650 434532683 /nfs/dbraw/zinc/53/26/83/434532683.db2.gz JOKIFBGYEXYRON-QGZVFWFLSA-N 1 2 307.401 3.307 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1C(C)(C)C1(C)C)C2 ZINC000527013120 295070855 /nfs/dbraw/zinc/07/08/55/295070855.db2.gz FLAHVSDMOBNXKS-NSHDSACASA-N 1 2 303.450 3.189 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1C(C)(C)C1(C)C)CC2 ZINC000527013120 295070857 /nfs/dbraw/zinc/07/08/57/295070857.db2.gz FLAHVSDMOBNXKS-NSHDSACASA-N 1 2 303.450 3.189 10 0 DGAELO c1nnc([C@@H](NC[C@H]2CC[N@@H+]2C2CCCC2)C2CCCCC2)[nH]1 ZINC000527999147 295163340 /nfs/dbraw/zinc/16/33/40/295163340.db2.gz FNROHDHLAWJJNN-SJORKVTESA-N 1 2 317.481 3.033 10 0 DGAELO c1nnc([C@@H](NC[C@H]2CC[N@H+]2C2CCCC2)C2CCCCC2)[nH]1 ZINC000527999147 295163341 /nfs/dbraw/zinc/16/33/41/295163341.db2.gz FNROHDHLAWJJNN-SJORKVTESA-N 1 2 317.481 3.033 10 0 DGAELO c1nnc([C@@H]([NH2+]C[C@H]2CCN2C2CCCC2)C2CCCCC2)[nH]1 ZINC000527999147 295163342 /nfs/dbraw/zinc/16/33/42/295163342.db2.gz FNROHDHLAWJJNN-SJORKVTESA-N 1 2 317.481 3.033 10 0 DGAELO NC(=O)c1csc(C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000127725286 295195812 /nfs/dbraw/zinc/19/58/12/295195812.db2.gz YBNDWBCWVSAEJG-LBPRGKRZSA-N 1 2 307.444 3.031 10 0 DGAELO NC(=O)c1csc(C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000127725286 295195814 /nfs/dbraw/zinc/19/58/14/295195814.db2.gz YBNDWBCWVSAEJG-LBPRGKRZSA-N 1 2 307.444 3.031 10 0 DGAELO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Br)c(F)c1F ZINC000528446958 295215047 /nfs/dbraw/zinc/21/50/47/295215047.db2.gz FDSNXNOEFJRNJL-ZDUSSCGKSA-N 1 2 320.177 3.074 10 0 DGAELO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(Br)c(F)c1F ZINC000528446958 295215048 /nfs/dbraw/zinc/21/50/48/295215048.db2.gz FDSNXNOEFJRNJL-ZDUSSCGKSA-N 1 2 320.177 3.074 10 0 DGAELO COCCC1(C)C[NH+](Cc2cccc(O)c2Br)C1 ZINC000459636824 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O[C@@H](C[NH2+][C@@H]1CCCC1(F)F)c1cccc(Br)c1 ZINC000398029833 685233992 /nfs/dbraw/zinc/23/39/92/685233992.db2.gz KVRYALCGJHJYHW-NWDGAFQWSA-N 1 2 320.177 3.260 10 0 DGAELO Brc1ccc2c(c1)CC[C@H]2[NH2+]Cc1csnn1 ZINC000398330887 685236388 /nfs/dbraw/zinc/23/63/88/685236388.db2.gz NGQPBBFATPYKFY-GFCCVEGCSA-N 1 2 310.220 3.078 10 0 DGAELO C[C@H](Cc1ccsc1)[N@H+](C)CC(=O)OCc1ccccc1 ZINC000176438615 1203930831 /nfs/dbraw/zinc/93/08/31/1203930831.db2.gz CCWQWDZROKGXQB-CQSZACIVSA-N 1 2 303.427 3.354 10 0 DGAELO C[C@H](Cc1ccsc1)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000176438615 1203930833 /nfs/dbraw/zinc/93/08/33/1203930833.db2.gz CCWQWDZROKGXQB-CQSZACIVSA-N 1 2 303.427 3.354 10 0 DGAELO Cc1noc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C(C)C)n1 ZINC000179883682 1204324525 /nfs/dbraw/zinc/32/45/25/1204324525.db2.gz OERCUUSAJJHGEN-AWEZNQCLSA-N 1 2 304.350 3.082 10 0 DGAELO COc1ccc(OCC[N@@H+]2CCC=C(Br)C2)cc1 ZINC000404176514 1082626334 /nfs/dbraw/zinc/62/63/34/1082626334.db2.gz HDHTZMOPJPPKDP-UHFFFAOYSA-N 1 2 312.207 3.059 10 0 DGAELO COc1ccc(OCC[N@H+]2CCC=C(Br)C2)cc1 ZINC000404176514 1082626337 /nfs/dbraw/zinc/62/63/37/1082626337.db2.gz HDHTZMOPJPPKDP-UHFFFAOYSA-N 1 2 312.207 3.059 10 0 DGAELO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccn1C1CCCC1 ZINC000182667043 1091755092 /nfs/dbraw/zinc/75/50/92/1091755092.db2.gz RHPDBLFBMVJDRQ-OAHLLOKOSA-N 1 2 324.428 3.007 10 0 DGAELO OCc1csc(C[NH2+][C@H]2CCSc3ccc(F)cc32)n1 ZINC000723168007 1105577840 /nfs/dbraw/zinc/57/78/40/1105577840.db2.gz OPYCYQQGCYVZGS-LBPRGKRZSA-N 1 2 310.419 3.101 10 0 DGAELO CC(C)[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000163731476 197647140 /nfs/dbraw/zinc/64/71/40/197647140.db2.gz BLNHZHLNAIIIOT-KGLIPLIRSA-N 1 2 309.479 3.181 10 0 DGAELO CCC(CC)C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000177965550 282144135 /nfs/dbraw/zinc/14/41/35/282144135.db2.gz KLKJGLAZVUOQEU-OAHLLOKOSA-N 1 2 324.490 3.016 10 0 DGAELO Cc1nc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)oc1C ZINC000181291027 199276932 /nfs/dbraw/zinc/27/69/32/199276932.db2.gz OXYJKOSZYPOHCU-GFCCVEGCSA-N 1 2 315.373 3.099 10 0 DGAELO Cc1cccc(C)c1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000079217101 185161861 /nfs/dbraw/zinc/16/18/61/185161861.db2.gz YUQZFPNGFGPVIW-UHFFFAOYSA-N 1 2 321.384 3.206 10 0 DGAELO CC[C@@](C)([NH2+]CC(=O)Nc1ccccc1F)c1nccs1 ZINC000173511489 529505880 /nfs/dbraw/zinc/50/58/80/529505880.db2.gz BQRDQRCDIOGTTD-OAHLLOKOSA-N 1 2 307.394 3.136 10 0 DGAELO Cc1cc([C@H]2CCC[N@@H+]2Cc2nc3cccnc3s2)on1 ZINC000328898547 231380350 /nfs/dbraw/zinc/38/03/50/231380350.db2.gz WRQVZTAWISURFD-GFCCVEGCSA-N 1 2 300.387 3.325 10 0 DGAELO Cc1cc([C@H]2CCC[N@H+]2Cc2nc3cccnc3s2)on1 ZINC000328898547 231380352 /nfs/dbraw/zinc/38/03/52/231380352.db2.gz WRQVZTAWISURFD-GFCCVEGCSA-N 1 2 300.387 3.325 10 0 DGAELO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090226946 185287817 /nfs/dbraw/zinc/28/78/17/185287817.db2.gz AQMUQHURCBFSPX-WFASDCNBSA-N 1 2 300.406 3.089 10 0 DGAELO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1cn(-c2ccccc2)nn1 ZINC000090449853 185297156 /nfs/dbraw/zinc/29/71/56/185297156.db2.gz ONCPHCGXEKKVIO-CHWSQXEVSA-N 1 2 311.364 3.213 10 0 DGAELO CC(=O)Nc1ccccc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000092594763 185328258 /nfs/dbraw/zinc/32/82/58/185328258.db2.gz YEKCVCLZDFRKGU-INIZCTEOSA-N 1 2 316.426 3.280 10 0 DGAELO CC(=O)Nc1ccccc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000092594763 185328259 /nfs/dbraw/zinc/32/82/59/185328259.db2.gz YEKCVCLZDFRKGU-INIZCTEOSA-N 1 2 316.426 3.280 10 0 DGAELO Cc1csc([C@H]2C[N@H+](Cc3ccc(F)cc3C)CCO2)n1 ZINC000092790093 185341481 /nfs/dbraw/zinc/34/14/81/185341481.db2.gz OYSDCQQAHVSHIR-OAHLLOKOSA-N 1 2 306.406 3.473 10 0 DGAELO Cc1csc([C@H]2C[N@@H+](Cc3ccc(F)cc3C)CCO2)n1 ZINC000092790093 185341482 /nfs/dbraw/zinc/34/14/82/185341482.db2.gz OYSDCQQAHVSHIR-OAHLLOKOSA-N 1 2 306.406 3.473 10 0 DGAELO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000092807553 185342521 /nfs/dbraw/zinc/34/25/21/185342521.db2.gz SGTNSPCOVFBYKV-ZDUSSCGKSA-N 1 2 320.462 3.046 10 0 DGAELO Cc1n[nH]cc1C[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000092807553 185342522 /nfs/dbraw/zinc/34/25/22/185342522.db2.gz SGTNSPCOVFBYKV-ZDUSSCGKSA-N 1 2 320.462 3.046 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]CCOc2cccc(CC)c2)no1 ZINC000441232103 529714434 /nfs/dbraw/zinc/71/44/34/529714434.db2.gz LDBVCZGHWPEARG-UHFFFAOYSA-N 1 2 303.406 3.098 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]Cc2cccc(OC(C)C)c2)no1 ZINC000441191163 529714584 /nfs/dbraw/zinc/71/45/84/529714584.db2.gz BECVYKJZDRULLB-UHFFFAOYSA-N 1 2 303.406 3.444 10 0 DGAELO CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000127515373 282336785 /nfs/dbraw/zinc/33/67/85/282336785.db2.gz BOZZAAYXVZYURY-HZPDHXFCSA-N 1 2 322.399 3.407 10 0 DGAELO CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000127515373 282336788 /nfs/dbraw/zinc/33/67/88/282336788.db2.gz BOZZAAYXVZYURY-HZPDHXFCSA-N 1 2 322.399 3.407 10 0 DGAELO Cc1cc(N2CCO[C@@H](c3ccco3)C2)nc(-c2ccncc2)[nH+]1 ZINC000133378224 185978668 /nfs/dbraw/zinc/97/86/68/185978668.db2.gz KKLQCDWVYYQJHV-MRXNPFEDSA-N 1 2 322.368 3.018 10 0 DGAELO CC(C)c1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC000142721919 186033061 /nfs/dbraw/zinc/03/30/61/186033061.db2.gz SREFDKWOGLBBEW-HNNXBMFYSA-N 1 2 320.458 3.138 10 0 DGAELO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC000142721919 186033067 /nfs/dbraw/zinc/03/30/67/186033067.db2.gz SREFDKWOGLBBEW-HNNXBMFYSA-N 1 2 320.458 3.138 10 0 DGAELO Cc1cc(NC[C@@H](O)CC(C)(C)C)nc(-c2cccnc2)[nH+]1 ZINC000172239796 198062828 /nfs/dbraw/zinc/06/28/28/198062828.db2.gz HOPHZTPHOZGKFP-AWEZNQCLSA-N 1 2 300.406 3.056 10 0 DGAELO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000172586407 198118782 /nfs/dbraw/zinc/11/87/82/198118782.db2.gz UNBSYXZMIHLTDY-QWRGUYRKSA-N 1 2 320.380 3.027 10 0 DGAELO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000172586407 198118784 /nfs/dbraw/zinc/11/87/84/198118784.db2.gz UNBSYXZMIHLTDY-QWRGUYRKSA-N 1 2 320.380 3.027 10 0 DGAELO Cc1c[nH+]ccc1NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000173173447 198192205 /nfs/dbraw/zinc/19/22/05/198192205.db2.gz SXCILSRUNCOACL-STQMWFEESA-N 1 2 319.405 3.022 10 0 DGAELO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000173923260 198269246 /nfs/dbraw/zinc/26/92/46/198269246.db2.gz DQYHCTKWMZINFV-BLLLJJGKSA-N 1 2 314.408 3.415 10 0 DGAELO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000173923260 198269248 /nfs/dbraw/zinc/26/92/48/198269248.db2.gz DQYHCTKWMZINFV-BLLLJJGKSA-N 1 2 314.408 3.415 10 0 DGAELO CCC(CC)(CC)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000073633424 191333014 /nfs/dbraw/zinc/33/30/14/191333014.db2.gz DYVUBGVPCBMHFA-UHFFFAOYSA-N 1 2 315.421 3.035 10 0 DGAELO Cc1ccc(CCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000073648413 191336893 /nfs/dbraw/zinc/33/68/93/191336893.db2.gz KVNXKRXEDSSEHD-UHFFFAOYSA-N 1 2 311.429 3.063 10 0 DGAELO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1nccs1 ZINC000080304544 192021665 /nfs/dbraw/zinc/02/16/65/192021665.db2.gz GDHNPPMNGYGWOH-LLVKDONJSA-N 1 2 309.822 3.476 10 0 DGAELO COCCO[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000179333360 432054424 /nfs/dbraw/zinc/05/44/24/432054424.db2.gz MJUKAHVGKPUEDC-ZDUSSCGKSA-N 1 2 312.479 3.068 10 0 DGAELO COCCO[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000179333360 432054426 /nfs/dbraw/zinc/05/44/26/432054426.db2.gz MJUKAHVGKPUEDC-ZDUSSCGKSA-N 1 2 312.479 3.068 10 0 DGAELO Cc1cc([C@@H]2CN(Cc3[nH+]ccn3C(C)C)CCO2)ccc1F ZINC000179511103 432061147 /nfs/dbraw/zinc/06/11/47/432061147.db2.gz ALWWLEVFPOJMHC-KRWDZBQOSA-N 1 2 317.408 3.485 10 0 DGAELO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)n1 ZINC000179510642 432061195 /nfs/dbraw/zinc/06/11/95/432061195.db2.gz IIYHVJQMVZXYDF-QGZVFWFLSA-N 1 2 316.376 3.111 10 0 DGAELO COc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)n1 ZINC000179510642 432061198 /nfs/dbraw/zinc/06/11/98/432061198.db2.gz IIYHVJQMVZXYDF-QGZVFWFLSA-N 1 2 316.376 3.111 10 0 DGAELO Cc1cn2c(C[N@@H+]3CCn4cccc4[C@@H]3C)c(C)nc2s1 ZINC000179568219 432062613 /nfs/dbraw/zinc/06/26/13/432062613.db2.gz QIMPDJMEUQYEGV-ZDUSSCGKSA-N 1 2 300.431 3.391 10 0 DGAELO Cc1cn2c(C[N@H+]3CCn4cccc4[C@@H]3C)c(C)nc2s1 ZINC000179568219 432062615 /nfs/dbraw/zinc/06/26/15/432062615.db2.gz QIMPDJMEUQYEGV-ZDUSSCGKSA-N 1 2 300.431 3.391 10 0 DGAELO CC[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccc(F)cc1F ZINC000179617866 432065131 /nfs/dbraw/zinc/06/51/31/432065131.db2.gz RICHXMMITYMCJL-AWEZNQCLSA-N 1 2 306.360 3.212 10 0 DGAELO CC[C@H]([NH2+]Cc1nnc(C(C)C)n1C)c1ccc(F)cc1F ZINC000179635415 199067192 /nfs/dbraw/zinc/06/71/92/199067192.db2.gz YTOVQXSPKMPCEV-AWEZNQCLSA-N 1 2 308.376 3.458 10 0 DGAELO COCc1noc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000180263340 199137744 /nfs/dbraw/zinc/13/77/44/199137744.db2.gz UBOGECBTVYEYDH-CYBMUJFWSA-N 1 2 324.384 3.129 10 0 DGAELO Cn1cc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c(C(C)(C)C)n1 ZINC000180545629 199174335 /nfs/dbraw/zinc/17/43/35/199174335.db2.gz RAYFVBHINBXWCG-HNNXBMFYSA-N 1 2 319.474 3.353 10 0 DGAELO Cn1cc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c(C(C)(C)C)n1 ZINC000180545629 199174337 /nfs/dbraw/zinc/17/43/37/199174337.db2.gz RAYFVBHINBXWCG-HNNXBMFYSA-N 1 2 319.474 3.353 10 0 DGAELO COc1c(C)cc(C[N@H+](C)Cc2nc(C(C)C)no2)cc1C ZINC000170652342 432075912 /nfs/dbraw/zinc/07/59/12/432075912.db2.gz IQUZOLXONBARMW-UHFFFAOYSA-N 1 2 303.406 3.450 10 0 DGAELO COc1c(C)cc(C[N@@H+](C)Cc2nc(C(C)C)no2)cc1C ZINC000170652342 432075916 /nfs/dbraw/zinc/07/59/16/432075916.db2.gz IQUZOLXONBARMW-UHFFFAOYSA-N 1 2 303.406 3.450 10 0 DGAELO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1O ZINC000180065091 432077084 /nfs/dbraw/zinc/07/70/84/432077084.db2.gz ONCGLDJSGJMCJR-SFHVURJKSA-N 1 2 317.360 3.113 10 0 DGAELO COc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1O ZINC000180065091 432077086 /nfs/dbraw/zinc/07/70/86/432077086.db2.gz ONCGLDJSGJMCJR-SFHVURJKSA-N 1 2 317.360 3.113 10 0 DGAELO COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)o1 ZINC000170763626 432079621 /nfs/dbraw/zinc/07/96/21/432079621.db2.gz IDBPLLYIGUGEGQ-DYVFJYSZSA-N 1 2 315.369 3.028 10 0 DGAELO COC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)o1 ZINC000170763626 432079623 /nfs/dbraw/zinc/07/96/23/432079623.db2.gz IDBPLLYIGUGEGQ-DYVFJYSZSA-N 1 2 315.369 3.028 10 0 DGAELO C[C@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)NC1CC1 ZINC000134844427 432086761 /nfs/dbraw/zinc/08/67/61/432086761.db2.gz RVGMMGBGANEOTE-YUMQZZPRSA-N 1 2 319.207 3.450 10 0 DGAELO C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1c1cccc(F)c1 ZINC000189193952 200361790 /nfs/dbraw/zinc/36/17/90/200361790.db2.gz FKACUPKIVJDGNV-FZKQIMNGSA-N 1 2 315.392 3.102 10 0 DGAELO COC(C)(C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000170961263 432089002 /nfs/dbraw/zinc/08/90/02/432089002.db2.gz TXGHVBIOHLPMCK-UHFFFAOYSA-N 1 2 313.401 3.250 10 0 DGAELO Clc1cc(Cl)cc(CC[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000194779308 201288180 /nfs/dbraw/zinc/28/81/80/201288180.db2.gz WCBSNEXIECVUKM-HNNXBMFYSA-N 1 2 316.228 3.027 10 0 DGAELO Clc1cc(Cl)cc(CC[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000194779308 201288184 /nfs/dbraw/zinc/28/81/84/201288184.db2.gz 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c1ccc2c(c1)CO[C@H](CNc1cc(N3CCCCC3)[nH+]cn1)C2 ZINC000624440742 401660290 /nfs/dbraw/zinc/66/02/90/401660290.db2.gz XGCNASXSLWDQMG-KRWDZBQOSA-N 1 2 324.428 3.020 10 0 DGAELO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1O ZINC000130641133 286308925 /nfs/dbraw/zinc/30/89/25/286308925.db2.gz WDKVUTGKSKWPHK-LIRRHRJNSA-N 1 2 313.397 3.363 10 0 DGAELO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1O ZINC000130641133 286308926 /nfs/dbraw/zinc/30/89/26/286308926.db2.gz WDKVUTGKSKWPHK-LIRRHRJNSA-N 1 2 313.397 3.363 10 0 DGAELO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000124606293 292264742 /nfs/dbraw/zinc/26/47/42/292264742.db2.gz AKAPSPWRHBBZBR-CYBMUJFWSA-N 1 2 319.430 3.235 10 0 DGAELO Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000124606293 292264743 /nfs/dbraw/zinc/26/47/43/292264743.db2.gz AKAPSPWRHBBZBR-CYBMUJFWSA-N 1 2 319.430 3.235 10 0 DGAELO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000359610712 286346484 /nfs/dbraw/zinc/34/64/84/286346484.db2.gz NNSVXMNPVPNYSZ-ZDUSSCGKSA-N 1 2 301.308 3.089 10 0 DGAELO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000359610712 286346486 /nfs/dbraw/zinc/34/64/86/286346486.db2.gz NNSVXMNPVPNYSZ-ZDUSSCGKSA-N 1 2 301.308 3.089 10 0 DGAELO C[C@@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000119674615 287037622 /nfs/dbraw/zinc/03/76/22/287037622.db2.gz OTYNXESXMOVFNM-VQIMIIECSA-N 1 2 312.461 3.125 10 0 DGAELO C[C@@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000119674615 287037625 /nfs/dbraw/zinc/03/76/25/287037625.db2.gz OTYNXESXMOVFNM-VQIMIIECSA-N 1 2 312.461 3.125 10 0 DGAELO C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000176429902 164782493 /nfs/dbraw/zinc/78/24/93/164782493.db2.gz ZGZRKENGCWYXAG-LLVKDONJSA-N 1 2 323.824 3.150 10 0 DGAELO CC(C)CCC[C@H](C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177339994 164804443 /nfs/dbraw/zinc/80/44/43/164804443.db2.gz YLVLIUCDKQCMOE-JKSUJKDBSA-N 1 2 306.454 3.272 10 0 DGAELO CCO[C@@H](C)c1noc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)n1 ZINC000186178716 165030445 /nfs/dbraw/zinc/03/04/45/165030445.db2.gz KCFAFDJNXXRTDJ-ZDUSSCGKSA-N 1 2 313.401 3.215 10 0 DGAELO CCO[C@@H](C)c1noc(C[N@H+]2Cc3ccccc3C3(CC3)C2)n1 ZINC000186178716 165030447 /nfs/dbraw/zinc/03/04/47/165030447.db2.gz KCFAFDJNXXRTDJ-ZDUSSCGKSA-N 1 2 313.401 3.215 10 0 DGAELO CCCCC[C@@H](C)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186311388 165037151 /nfs/dbraw/zinc/03/71/51/165037151.db2.gz TYSOKZWOIPVAIC-MRXNPFEDSA-N 1 2 318.465 3.272 10 0 DGAELO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CCS1 ZINC000186322519 165039806 /nfs/dbraw/zinc/03/98/06/165039806.db2.gz GZPDTPWASAGWQQ-NSHDSACASA-N 1 2 322.865 3.073 10 0 DGAELO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CCS1 ZINC000186322519 165039808 /nfs/dbraw/zinc/03/98/08/165039808.db2.gz GZPDTPWASAGWQQ-NSHDSACASA-N 1 2 322.865 3.073 10 0 DGAELO C[C@@H](c1cccc(Cl)c1F)[NH+]1CCN(c2ncccn2)CC1 ZINC000186470860 165044863 /nfs/dbraw/zinc/04/48/63/165044863.db2.gz JOTHZRVPMPYJPM-LBPRGKRZSA-N 1 2 320.799 3.152 10 0 DGAELO CCO[C@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)C12CCOCC2 ZINC000186475681 165044918 /nfs/dbraw/zinc/04/49/18/165044918.db2.gz CCAGMKTUKIONFD-IRXDYDNUSA-N 1 2 304.434 3.139 10 0 DGAELO CCO[C@H]1C[C@H]([NH2+]c2ccc(N(C)C)cc2)C12CCOCC2 ZINC000186475681 165044920 /nfs/dbraw/zinc/04/49/20/165044920.db2.gz CCAGMKTUKIONFD-IRXDYDNUSA-N 1 2 304.434 3.139 10 0 DGAELO C[C@@H](c1cccc(Cl)c1F)[NH+]1CCN(c2cccnn2)CC1 ZINC000186920867 165065807 /nfs/dbraw/zinc/06/58/07/165065807.db2.gz PLLQWJWVOBIZFH-LBPRGKRZSA-N 1 2 320.799 3.152 10 0 DGAELO Cc1cc([C@@H]2C[N@H+](C[C@@H]3CCC(C)(C)O3)CCO2)ccc1F ZINC000187378926 165089729 /nfs/dbraw/zinc/08/97/29/165089729.db2.gz CCSUDZYHBKDHOS-RDJZCZTQSA-N 1 2 307.409 3.465 10 0 DGAELO Cc1cc([C@@H]2C[N@@H+](C[C@@H]3CCC(C)(C)O3)CCO2)ccc1F ZINC000187378926 165089731 /nfs/dbraw/zinc/08/97/31/165089731.db2.gz CCSUDZYHBKDHOS-RDJZCZTQSA-N 1 2 307.409 3.465 10 0 DGAELO C/C=C(\CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000188537214 165127052 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COc1ccnc(C[NH2+][C@H](C)c2c(F)cccc2OC)c1OC ZINC000191057102 165228843 /nfs/dbraw/zinc/22/88/43/165228843.db2.gz RHTGARMXMCUJAG-LLVKDONJSA-N 1 2 320.364 3.097 10 0 DGAELO CCCn1cc(C[N@@H+]2CCO[C@H](c3ccc(CC)cc3)C2)cn1 ZINC000191667272 165265308 /nfs/dbraw/zinc/26/53/08/165265308.db2.gz HUWBOPJIIYYOQC-IBGZPJMESA-N 1 2 313.445 3.429 10 0 DGAELO CCCn1cc(C[N@H+]2CCO[C@H](c3ccc(CC)cc3)C2)cn1 ZINC000191667272 165265312 /nfs/dbraw/zinc/26/53/12/165265312.db2.gz HUWBOPJIIYYOQC-IBGZPJMESA-N 1 2 313.445 3.429 10 0 DGAELO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC=C(c3cccs3)CC2)n1 ZINC000192595639 165298235 /nfs/dbraw/zinc/29/82/35/165298235.db2.gz XNQXDSUDELUDGM-LBPRGKRZSA-N 1 2 301.415 3.402 10 0 DGAELO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000192593954 165298879 /nfs/dbraw/zinc/29/88/79/165298879.db2.gz XCMGIVDXBRPCFQ-HNNXBMFYSA-N 1 2 323.389 3.030 10 0 DGAELO O=S(=O)(CC[N@H+]1CCC[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000192593954 165298883 /nfs/dbraw/zinc/29/88/83/165298883.db2.gz XCMGIVDXBRPCFQ-HNNXBMFYSA-N 1 2 323.389 3.030 10 0 DGAELO CCc1ccc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000193354847 165324846 /nfs/dbraw/zinc/32/48/46/165324846.db2.gz UFMMTCGZBXSOSX-UHFFFAOYSA-N 1 2 321.384 3.151 10 0 DGAELO CN(C(=O)C[N@@H+]1CCCC[C@H]1c1nccs1)c1ccccc1 ZINC000195369404 165368539 /nfs/dbraw/zinc/36/85/39/165368539.db2.gz OEARVMMVFHBTEI-HNNXBMFYSA-N 1 2 315.442 3.333 10 0 DGAELO CN(C(=O)C[N@H+]1CCCC[C@H]1c1nccs1)c1ccccc1 ZINC000195369404 165368543 /nfs/dbraw/zinc/36/85/43/165368543.db2.gz OEARVMMVFHBTEI-HNNXBMFYSA-N 1 2 315.442 3.333 10 0 DGAELO CCCc1nc(C[N@@H+]2CCC[C@@H](c3nc(CC)cs3)C2)no1 ZINC000195384141 165369270 /nfs/dbraw/zinc/36/92/70/165369270.db2.gz CCJPWIQSYUFVTC-GFCCVEGCSA-N 1 2 320.462 3.421 10 0 DGAELO CCCc1nc(C[N@H+]2CCC[C@@H](c3nc(CC)cs3)C2)no1 ZINC000195384141 165369272 /nfs/dbraw/zinc/36/92/72/165369272.db2.gz CCJPWIQSYUFVTC-GFCCVEGCSA-N 1 2 320.462 3.421 10 0 DGAELO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccc2c(c1)OCCO2 ZINC000225299672 165381199 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CCCN(CCC)C(=O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171618018 432151715 /nfs/dbraw/zinc/15/17/15/432151715.db2.gz IFMLQFMMJGDBEB-UHFFFAOYSA-N 1 2 313.445 3.175 10 0 DGAELO CCCN(CCC)C(=O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171618018 432151720 /nfs/dbraw/zinc/15/17/20/432151720.db2.gz IFMLQFMMJGDBEB-UHFFFAOYSA-N 1 2 313.445 3.175 10 0 DGAELO C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000246726216 432159235 /nfs/dbraw/zinc/15/92/35/432159235.db2.gz NUNNDZAECXKFLY-JQAFLVLXSA-N 1 2 324.827 3.387 10 0 DGAELO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000246726216 432159239 /nfs/dbraw/zinc/15/92/39/432159239.db2.gz NUNNDZAECXKFLY-JQAFLVLXSA-N 1 2 324.827 3.387 10 0 DGAELO Cc1ccc2c(c1)[C@H](NC(=O)Cc1cn3ccccc3[nH+]1)[C@H](C)C2 ZINC000182203784 432166041 /nfs/dbraw/zinc/16/60/41/432166041.db2.gz DLEOGSCKRNALCJ-JLTOFOAXSA-N 1 2 319.408 3.235 10 0 DGAELO CC(C)CC[C@H]1CCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000137099785 432170549 /nfs/dbraw/zinc/17/05/49/432170549.db2.gz ANGCNQMMZGBAFN-MRXNPFEDSA-N 1 2 318.465 3.258 10 0 DGAELO Cc1ccc(C[C@@H](C)C(=O)N(C)c2ccc[nH+]c2N(C)C)cc1 ZINC000182323500 432178981 /nfs/dbraw/zinc/17/89/81/432178981.db2.gz HKHCSXWEPVRUCS-OAHLLOKOSA-N 1 2 311.429 3.298 10 0 DGAELO CC(C)n1ncnc1C[NH2+][C@H](C)c1ccccc1Br ZINC000148928651 432189277 /nfs/dbraw/zinc/18/92/77/432189277.db2.gz DFNMUCTZNRHLQH-LLVKDONJSA-N 1 2 323.238 3.472 10 0 DGAELO Cc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000247010389 432190577 /nfs/dbraw/zinc/19/05/77/432190577.db2.gz LMVORGJNMCLBJR-ZIAGYGMSSA-N 1 2 321.446 3.308 10 0 DGAELO Cc1nc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000247010389 432190578 /nfs/dbraw/zinc/19/05/78/432190578.db2.gz LMVORGJNMCLBJR-ZIAGYGMSSA-N 1 2 321.446 3.308 10 0 DGAELO COc1cccc([C@@H](C)[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000247047958 432195302 /nfs/dbraw/zinc/19/53/02/432195302.db2.gz OEMMNYKCXGDDQU-IUODEOHRSA-N 1 2 304.415 3.286 10 0 DGAELO 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CCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)c2nnnn2C2CC2)o1 ZINC000276809385 432826703 /nfs/dbraw/zinc/82/67/03/432826703.db2.gz NVDISGOATJUXPW-FZMZJTMJSA-N 1 2 301.394 3.062 10 0 DGAELO O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@H]1CCCn2cc[nH+]c21 ZINC000245412557 432827747 /nfs/dbraw/zinc/82/77/47/432827747.db2.gz ACFGQHPSDGIOGY-FGTMMUONSA-N 1 2 323.440 3.288 10 0 DGAELO C[C@@H]1C[N@H+](Cc2ccc(F)nc2)C[C@H](c2ccc(F)cc2)O1 ZINC000189383440 432783115 /nfs/dbraw/zinc/78/31/15/432783115.db2.gz RTJRNSGPFNFNHZ-MLGOLLRUSA-N 1 2 304.340 3.322 10 0 DGAELO C[C@@H]1C[N@@H+](Cc2ccc(F)nc2)C[C@H](c2ccc(F)cc2)O1 ZINC000189383440 432783120 /nfs/dbraw/zinc/78/31/20/432783120.db2.gz RTJRNSGPFNFNHZ-MLGOLLRUSA-N 1 2 304.340 3.322 10 0 DGAELO NC(=O)c1coc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000189411687 432784163 /nfs/dbraw/zinc/78/41/63/432784163.db2.gz YROUCCAWSHVPPS-UHFFFAOYSA-N 1 2 314.316 3.067 10 0 DGAELO Cc1ccc(C)c([C@@H]2C[N@H+](CCOCC(F)F)[C@H](C)CO2)c1 ZINC000189425891 432784763 /nfs/dbraw/zinc/78/47/63/432784763.db2.gz BSBVEZRBEFRNHB-ZBFHGGJFSA-N 1 2 313.388 3.347 10 0 DGAELO Cc1ccc(C)c([C@@H]2C[N@@H+](CCOCC(F)F)[C@H](C)CO2)c1 ZINC000189425891 432784768 /nfs/dbraw/zinc/78/47/68/432784768.db2.gz BSBVEZRBEFRNHB-ZBFHGGJFSA-N 1 2 313.388 3.347 10 0 DGAELO c1ccc([C@@H]2OCC[C@@H]2Nc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000267081741 432812494 /nfs/dbraw/zinc/81/24/94/432812494.db2.gz SKKIZNRILOCUQM-LPHOPBHVSA-N 1 2 324.428 3.409 10 0 DGAELO c1ccc([C@@H]2OCC[C@@H]2Nc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000267081741 432812496 /nfs/dbraw/zinc/81/24/96/432812496.db2.gz SKKIZNRILOCUQM-LPHOPBHVSA-N 1 2 324.428 3.409 10 0 DGAELO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000330121874 432894624 /nfs/dbraw/zinc/89/46/24/432894624.db2.gz HCPXGEBDFSIFGS-BBRMVZONSA-N 1 2 313.401 3.217 10 0 DGAELO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCO[C@H](C3CC3)C2)n1 ZINC000330121874 432894626 /nfs/dbraw/zinc/89/46/26/432894626.db2.gz HCPXGEBDFSIFGS-BBRMVZONSA-N 1 2 313.401 3.217 10 0 DGAELO CC[N@@H+]1CC[C@H](NC(=O)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245572549 432846650 /nfs/dbraw/zinc/84/66/50/432846650.db2.gz CLVMLYMCIRAQER-LSDHHAIUSA-N 1 2 312.816 3.387 10 0 DGAELO CC[N@H+]1CC[C@H](NC(=O)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245572549 432846653 /nfs/dbraw/zinc/84/66/53/432846653.db2.gz CLVMLYMCIRAQER-LSDHHAIUSA-N 1 2 312.816 3.387 10 0 DGAELO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)o1 ZINC000245572418 432846970 /nfs/dbraw/zinc/84/69/70/432846970.db2.gz YJIOBDAATQBIKO-OSAQELSMSA-N 1 2 304.415 3.433 10 0 DGAELO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)o1 ZINC000245572418 432846972 /nfs/dbraw/zinc/84/69/72/432846972.db2.gz YJIOBDAATQBIKO-OSAQELSMSA-N 1 2 304.415 3.433 10 0 DGAELO CC(C)[C@H]1OCC[C@H]1CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000330189084 432896347 /nfs/dbraw/zinc/89/63/47/432896347.db2.gz UXBVMLACIFBJIX-RVKKMQEKSA-N 1 2 318.465 3.186 10 0 DGAELO CC(C)[C@H]1OCC[C@H]1CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000330189084 432896351 /nfs/dbraw/zinc/89/63/51/432896351.db2.gz UXBVMLACIFBJIX-RVKKMQEKSA-N 1 2 318.465 3.186 10 0 DGAELO C[C@H]1C[C@@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC[N@@H+]1C ZINC000279520256 432977670 /nfs/dbraw/zinc/97/76/70/432977670.db2.gz SOYXCASZWXKZLB-IUCAKERBSA-N 1 2 317.216 3.368 10 0 DGAELO C[C@H]1C[C@@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC[N@H+]1C ZINC000279520256 432977673 /nfs/dbraw/zinc/97/76/73/432977673.db2.gz SOYXCASZWXKZLB-IUCAKERBSA-N 1 2 317.216 3.368 10 0 DGAELO CCc1cnc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)s1 ZINC000341255815 433007797 /nfs/dbraw/zinc/00/77/97/433007797.db2.gz JMYSTVVMPTVZDP-UHFFFAOYSA-N 1 2 312.442 3.240 10 0 DGAELO CC[C@H]1CCCCN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000332696348 433014492 /nfs/dbraw/zinc/01/44/92/433014492.db2.gz YGQCTGSVCVPQDE-CABCVRRESA-N 1 2 304.438 3.043 10 0 DGAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H](C)c1cccs1)CCC2 ZINC000332708218 433014889 /nfs/dbraw/zinc/01/48/89/433014889.db2.gz JMJHMRYUJAHXDK-QWHCGFSZSA-N 1 2 318.446 3.191 10 0 DGAELO Cc1ccncc1C[NH2+][C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000373257870 433146148 /nfs/dbraw/zinc/14/61/48/433146148.db2.gz WOBJDIXOHDZZOI-INIZCTEOSA-N 1 2 323.400 3.322 10 0 DGAELO Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCc3[nH+]c(C(C)C)[nH]c3C1)C2 ZINC000361324882 433108555 /nfs/dbraw/zinc/10/85/55/433108555.db2.gz IZQYXPPRDQBMAC-CQSZACIVSA-N 1 2 323.440 3.489 10 0 DGAELO Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCc3[nH]c(C(C)C)[nH+]c3C1)C2 ZINC000361324882 433108564 /nfs/dbraw/zinc/10/85/64/433108564.db2.gz IZQYXPPRDQBMAC-CQSZACIVSA-N 1 2 323.440 3.489 10 0 DGAELO CCC[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)C(=O)OC(C)(C)C ZINC000157510551 292747522 /nfs/dbraw/zinc/74/75/22/292747522.db2.gz SERGCFBOLZWNSP-XJKSGUPXSA-N 1 2 307.434 3.340 10 0 DGAELO c1nc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)co1 ZINC000425356110 433194706 /nfs/dbraw/zinc/19/47/06/433194706.db2.gz VWCWPPWAYMRVPQ-UHFFFAOYSA-N 1 2 303.431 3.390 10 0 DGAELO COCC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@@H](C)c1ccccc1 ZINC000361499029 433213037 /nfs/dbraw/zinc/21/30/37/433213037.db2.gz XEMKZQPLEZTXFQ-HNNXBMFYSA-N 1 2 316.449 3.243 10 0 DGAELO COCC[N@@H+](Cc1cn(C(C)(C)C)nn1)[C@@H](C)c1ccccc1 ZINC000361499029 433213049 /nfs/dbraw/zinc/21/30/49/433213049.db2.gz XEMKZQPLEZTXFQ-HNNXBMFYSA-N 1 2 316.449 3.243 10 0 DGAELO c1nc(N2CCCC2)cc(NC[C@H]2CC23CCSCC3)[nH+]1 ZINC000420649565 433243761 /nfs/dbraw/zinc/24/37/61/433243761.db2.gz GLMQXDHEFMHLIS-CYBMUJFWSA-N 1 2 304.463 3.022 10 0 DGAELO c1nc(NC[C@H]2CC23CCSCC3)cc(N2CCCC2)[nH+]1 ZINC000420649565 433243771 /nfs/dbraw/zinc/24/37/71/433243771.db2.gz GLMQXDHEFMHLIS-CYBMUJFWSA-N 1 2 304.463 3.022 10 0 DGAELO c1nc(N2CCCCC2)cc(NC[C@@H]2CC23CCSCC3)[nH+]1 ZINC000420657565 433244379 /nfs/dbraw/zinc/24/43/79/433244379.db2.gz XABDFBASEMYPSY-AWEZNQCLSA-N 1 2 318.490 3.412 10 0 DGAELO c1nc(NC[C@@H]2CC23CCSCC3)cc(N2CCCCC2)[nH+]1 ZINC000420657565 433244388 /nfs/dbraw/zinc/24/43/88/433244388.db2.gz XABDFBASEMYPSY-AWEZNQCLSA-N 1 2 318.490 3.412 10 0 DGAELO C[C@H]1CCOCC[N@@H+]1Cc1c(F)cccc1Br ZINC000374983131 433324244 /nfs/dbraw/zinc/32/42/44/433324244.db2.gz VBAFNWCYIQNYIZ-JTQLQIEISA-N 1 2 302.187 3.199 10 0 DGAELO C[C@H]1CCOCC[N@H+]1Cc1c(F)cccc1Br ZINC000374983131 433324250 /nfs/dbraw/zinc/32/42/50/433324250.db2.gz VBAFNWCYIQNYIZ-JTQLQIEISA-N 1 2 302.187 3.199 10 0 DGAELO CN(Cc1[nH+]ccn1C)C(=O)C1=C(c2ccccc2)CCCC1 ZINC000448597735 433444777 /nfs/dbraw/zinc/44/47/77/433444777.db2.gz ZFXCMZPFSPVVQT-UHFFFAOYSA-N 1 2 309.413 3.406 10 0 DGAELO Cc1cc(N[C@@H]2CCOc3ccc(Br)cc32)nc[nH+]1 ZINC000301227849 433460191 /nfs/dbraw/zinc/46/01/91/433460191.db2.gz FWGOOYOZTRTLDQ-GFCCVEGCSA-N 1 2 320.190 3.483 10 0 DGAELO Cc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc[nH+]1 ZINC000301235330 433464710 /nfs/dbraw/zinc/46/47/10/433464710.db2.gz JZQUNZAEISJROS-UHFFFAOYSA-N 1 2 301.365 3.084 10 0 DGAELO COc1cc(OC)cc([C@@H](O)CNc2ccc3ccccc3[nH+]2)c1 ZINC000301256973 433471749 /nfs/dbraw/zinc/47/17/49/433471749.db2.gz BRHWLTGONAOHQD-SFHVURJKSA-N 1 2 324.380 3.398 10 0 DGAELO C[C@]1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC=CCC1 ZINC000448661046 433479073 /nfs/dbraw/zinc/47/90/73/433479073.db2.gz NIUKUYAVNXBNTI-IBGZPJMESA-N 1 2 309.413 3.294 10 0 DGAELO COc1ccc(C[N@@H+]2CCC=C(Br)C2)cc1OC ZINC000282277240 433553335 /nfs/dbraw/zinc/55/33/35/433553335.db2.gz KVYPYJKAOHQVCC-UHFFFAOYSA-N 1 2 312.207 3.188 10 0 DGAELO COc1ccc(C[N@H+]2CCC=C(Br)C2)cc1OC ZINC000282277240 433553340 /nfs/dbraw/zinc/55/33/40/433553340.db2.gz KVYPYJKAOHQVCC-UHFFFAOYSA-N 1 2 312.207 3.188 10 0 DGAELO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccnc(C2CC2)n1 ZINC000301456871 433565255 /nfs/dbraw/zinc/56/52/55/433565255.db2.gz HUMAGCIYGLIMIZ-UHFFFAOYSA-N 1 2 319.412 3.235 10 0 DGAELO C[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccc(F)cc1Cl ZINC000362178862 433565540 /nfs/dbraw/zinc/56/55/40/433565540.db2.gz KSVOSIXLSDKTCW-SECBINFHSA-N 1 2 311.792 3.071 10 0 DGAELO c1cc(C[NH+]2CCCC2)ccc1CNc1nc(C2CC2)ns1 ZINC000356504253 433592406 /nfs/dbraw/zinc/59/24/06/433592406.db2.gz JWOBOQBBDVJUOJ-UHFFFAOYSA-N 1 2 314.458 3.045 10 0 DGAELO Cc1ccncc1C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000366312434 292934312 /nfs/dbraw/zinc/93/43/12/292934312.db2.gz OWEFQOAXCYSLFH-GOSISDBHSA-N 1 2 310.376 3.142 10 0 DGAELO C[C@@H]1C[C@@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)c2[nH+]ccn21 ZINC000456442431 433673657 /nfs/dbraw/zinc/67/36/57/433673657.db2.gz ZREAIBHBFQQLGD-BXUZGUMPSA-N 1 2 313.405 3.090 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccccc1F)C2 ZINC000369595545 293134272 /nfs/dbraw/zinc/13/42/72/293134272.db2.gz DJQGQCSMPMQYBD-LLVKDONJSA-N 1 2 301.365 3.416 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccccc1F)CC2 ZINC000369595545 293134275 /nfs/dbraw/zinc/13/42/75/293134275.db2.gz DJQGQCSMPMQYBD-LLVKDONJSA-N 1 2 301.365 3.416 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCCC1(C)C)C2 ZINC000370165209 293160294 /nfs/dbraw/zinc/16/02/94/293160294.db2.gz ULANMGDUNSDFNT-DOMZBBRYSA-N 1 2 303.450 3.333 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCCC1(C)C)CC2 ZINC000370165209 293160296 /nfs/dbraw/zinc/16/02/96/293160296.db2.gz ULANMGDUNSDFNT-DOMZBBRYSA-N 1 2 303.450 3.333 10 0 DGAELO Cc1ccnc(C2CC[NH+](Cc3cnc(Cl)s3)CC2)n1 ZINC000370374957 293171869 /nfs/dbraw/zinc/17/18/69/293171869.db2.gz QMQMUQFVIFJTBD-UHFFFAOYSA-N 1 2 308.838 3.275 10 0 DGAELO c1ccc(-c2nnc([C@@H]3CCC[N@H+]3C[C@H]3CCCCO3)[nH]2)cc1 ZINC000371330909 293210793 /nfs/dbraw/zinc/21/07/93/293210793.db2.gz YRGMVXCJNKTUHI-CVEARBPZSA-N 1 2 312.417 3.178 10 0 DGAELO c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3C[C@H]3CCCCO3)[nH]2)cc1 ZINC000371330909 293210794 /nfs/dbraw/zinc/21/07/94/293210794.db2.gz YRGMVXCJNKTUHI-CVEARBPZSA-N 1 2 312.417 3.178 10 0 DGAELO CCCN(CC(F)F)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372389648 293242193 /nfs/dbraw/zinc/24/21/93/293242193.db2.gz MOBYSJWFBQJFMN-LLVKDONJSA-N 1 2 313.392 3.142 10 0 DGAELO CCCN(CC(F)F)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372389648 293242195 /nfs/dbraw/zinc/24/21/95/293242195.db2.gz MOBYSJWFBQJFMN-LLVKDONJSA-N 1 2 313.392 3.142 10 0 DGAELO Cc1nc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)cs1 ZINC000275646210 293264395 /nfs/dbraw/zinc/26/43/95/293264395.db2.gz TZSVBFQJICGMTQ-HNNXBMFYSA-N 1 2 302.447 3.391 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CC1CC1)C1CCC1)C2 ZINC000373789607 293316859 /nfs/dbraw/zinc/31/68/59/293316859.db2.gz DNPCATPXKNHNTA-AWEZNQCLSA-N 1 2 315.461 3.429 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CC1CC1)C1CCC1)CC2 ZINC000373789607 293316861 /nfs/dbraw/zinc/31/68/61/293316861.db2.gz DNPCATPXKNHNTA-AWEZNQCLSA-N 1 2 315.461 3.429 10 0 DGAELO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2noc(-c3ccccc3)n2)C1(C)C ZINC000362443208 433720406 /nfs/dbraw/zinc/72/04/06/433720406.db2.gz YSJQDCKLJDGDBD-KSSFIOAISA-N 1 2 315.417 3.372 10 0 DGAELO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2noc(-c3ccccc3)n2)C1(C)C ZINC000362443208 433720411 /nfs/dbraw/zinc/72/04/11/433720411.db2.gz YSJQDCKLJDGDBD-KSSFIOAISA-N 1 2 315.417 3.372 10 0 DGAELO Cc1nc(C)c(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)s1 ZINC000356917343 433767596 /nfs/dbraw/zinc/76/75/96/433767596.db2.gz QUDCMPXGANXAJU-UHFFFAOYSA-N 1 2 315.402 3.038 10 0 DGAELO c1ccc(-c2nnc([C@@H]3CCC[N@H+]3CCOC3CCC3)[nH]2)cc1 ZINC000376551255 433772638 /nfs/dbraw/zinc/77/26/38/433772638.db2.gz AWMXXINLOIJKBK-INIZCTEOSA-N 1 2 312.417 3.178 10 0 DGAELO c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3CCOC3CCC3)[nH]2)cc1 ZINC000376551255 433772647 /nfs/dbraw/zinc/77/26/47/433772647.db2.gz AWMXXINLOIJKBK-INIZCTEOSA-N 1 2 312.417 3.178 10 0 DGAELO c1cn(-c2ccccc2)nc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339779278 433777445 /nfs/dbraw/zinc/77/74/45/433777445.db2.gz XUGVUPVROHPPHL-LJQANCHMSA-N 1 2 311.429 3.263 10 0 DGAELO c1cn(-c2ccccc2)nc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339779278 433777455 /nfs/dbraw/zinc/77/74/55/433777455.db2.gz XUGVUPVROHPPHL-LJQANCHMSA-N 1 2 311.429 3.263 10 0 DGAELO CCc1nc(C)c(C(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)o1 ZINC000293561005 433780735 /nfs/dbraw/zinc/78/07/35/433780735.db2.gz ICMNNHCJCVVWEO-CYBMUJFWSA-N 1 2 316.405 3.129 10 0 DGAELO CCc1nc(C)c(C(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)o1 ZINC000293561009 433783593 /nfs/dbraw/zinc/78/35/93/433783593.db2.gz ICMNNHCJCVVWEO-ZDUSSCGKSA-N 1 2 316.405 3.129 10 0 DGAELO Brc1ccc(CCNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000343814320 433828698 /nfs/dbraw/zinc/82/86/98/433828698.db2.gz KWVPSHTXRXRHFA-UHFFFAOYSA-N 1 2 318.218 3.771 10 0 DGAELO CCc1ccc(CNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302875232 433894983 /nfs/dbraw/zinc/89/49/83/433894983.db2.gz DXIOMFYXSJCHBG-UHFFFAOYSA-N 1 2 314.458 3.204 10 0 DGAELO CCc1ccc(CNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000302875232 433894995 /nfs/dbraw/zinc/89/49/95/433894995.db2.gz DXIOMFYXSJCHBG-UHFFFAOYSA-N 1 2 314.458 3.204 10 0 DGAELO COc1ccc(NC(=O)CCn2c(C)[nH+]c3ccccc32)c(C)n1 ZINC000357353078 433968031 /nfs/dbraw/zinc/96/80/31/433968031.db2.gz DUHFZAXACZBQFV-UHFFFAOYSA-N 1 2 324.384 3.086 10 0 DGAELO Cc1ccc2[nH+]c(CSCC(=O)N3CCC34CCC4)cn2c1 ZINC000357382561 433980001 /nfs/dbraw/zinc/98/00/01/433980001.db2.gz RBXSGSADQVGTBS-UHFFFAOYSA-N 1 2 315.442 3.031 10 0 DGAELO Fc1ccc(Br)c(C[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000294297002 434077428 /nfs/dbraw/zinc/07/74/28/434077428.db2.gz ZOAMRYYXASSGQF-GFCCVEGCSA-N 1 2 310.170 3.019 10 0 DGAELO C[C@H]1CCCN(c2cc(NCc3ccc4cc[nH]c4n3)[nH+]cn2)C1 ZINC000357587804 434087809 /nfs/dbraw/zinc/08/78/09/434087809.db2.gz VQGSXSJFSCNIIE-ZDUSSCGKSA-N 1 2 322.416 3.201 10 0 DGAELO C[C@H]1CCCN(c2cc(NCc3ccc4cc[nH]c4n3)nc[nH+]2)C1 ZINC000357587804 434087821 /nfs/dbraw/zinc/08/78/21/434087821.db2.gz VQGSXSJFSCNIIE-ZDUSSCGKSA-N 1 2 322.416 3.201 10 0 DGAELO c1nc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)oc1C1CC1 ZINC000378322468 434142463 /nfs/dbraw/zinc/14/24/63/434142463.db2.gz FRHDSUOSBITCSP-INIZCTEOSA-N 1 2 320.433 3.102 10 0 DGAELO c1nnc([C@@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)c2ccccc2)[nH]1 ZINC000340489821 434164334 /nfs/dbraw/zinc/16/43/34/434164334.db2.gz JCXAOYIBYHDRCE-SQNIBIBYSA-N 1 2 304.397 3.287 10 0 DGAELO c1coc([C@H]2CCCCC[N@H+]2Cc2cn(CC3CC3)nn2)c1 ZINC000450423679 434166569 /nfs/dbraw/zinc/16/65/69/434166569.db2.gz PAEZNTOUGWGYNB-MRXNPFEDSA-N 1 2 300.406 3.398 10 0 DGAELO c1coc([C@H]2CCCCC[N@@H+]2Cc2cn(CC3CC3)nn2)c1 ZINC000450423679 434166576 /nfs/dbraw/zinc/16/65/76/434166576.db2.gz PAEZNTOUGWGYNB-MRXNPFEDSA-N 1 2 300.406 3.398 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C)C2 ZINC000364065275 434222912 /nfs/dbraw/zinc/22/29/12/434222912.db2.gz BVMAXHOFSCVMHL-MCIONIFRSA-N 1 2 303.450 3.285 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C)CC2 ZINC000364065275 434222916 /nfs/dbraw/zinc/22/29/16/434222916.db2.gz BVMAXHOFSCVMHL-MCIONIFRSA-N 1 2 303.450 3.285 10 0 DGAELO COc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)s2)cc1OC ZINC000450672863 434333294 /nfs/dbraw/zinc/33/32/94/434333294.db2.gz IOFGRQUICGWAHP-JTQLQIEISA-N 1 2 319.430 3.284 10 0 DGAELO CN(C)c1cccc(C[N@H+](C)Cc2nnc(C3CC3)s2)c1 ZINC000450600047 434289612 /nfs/dbraw/zinc/28/96/12/434289612.db2.gz UYVYYVPMIDMHJK-UHFFFAOYSA-N 1 2 302.447 3.114 10 0 DGAELO CN(C)c1cccc(C[N@@H+](C)Cc2nnc(C3CC3)s2)c1 ZINC000450600047 434289619 /nfs/dbraw/zinc/28/96/19/434289619.db2.gz UYVYYVPMIDMHJK-UHFFFAOYSA-N 1 2 302.447 3.114 10 0 DGAELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1c(F)ccc(Br)c1F ZINC000384866377 434294294 /nfs/dbraw/zinc/29/42/94/434294294.db2.gz FHRAFGAROKGQFW-QPUJVOFHSA-N 1 2 320.177 3.073 10 0 DGAELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1c(F)ccc(Br)c1F ZINC000384866377 434294297 /nfs/dbraw/zinc/29/42/97/434294297.db2.gz FHRAFGAROKGQFW-QPUJVOFHSA-N 1 2 320.177 3.073 10 0 DGAELO c1cc(-c2ccncc2)n(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000437620020 434303603 /nfs/dbraw/zinc/30/36/03/434303603.db2.gz KXNFSJJBDIPJEB-UHFFFAOYSA-N 1 2 315.380 3.238 10 0 DGAELO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)c1csnn1 ZINC000398367105 434461818 /nfs/dbraw/zinc/46/18/18/434461818.db2.gz NWDVMWNHDLJFBW-ZETCQYMHSA-N 1 2 316.199 3.291 10 0 DGAELO CC1(C)CCC(=CC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000366709392 434494487 /nfs/dbraw/zinc/49/44/87/434494487.db2.gz IYGVDBIZKSDKTA-UHFFFAOYSA-N 1 2 324.428 3.410 10 0 DGAELO Cc1cc(-c2nnc(C[NH+]3CC(C)(C)OC(C)(C)C3)o2)c(C)o1 ZINC000407952204 434529061 /nfs/dbraw/zinc/52/90/61/434529061.db2.gz QCJAXSHIDKWNTI-UHFFFAOYSA-N 1 2 319.405 3.336 10 0 DGAELO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC000366879209 434529710 /nfs/dbraw/zinc/52/97/10/434529710.db2.gz FOTUWBZJPSHVAC-UHFFFAOYSA-N 1 2 311.385 3.069 10 0 DGAELO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC000366879209 434529720 /nfs/dbraw/zinc/52/97/20/434529720.db2.gz FOTUWBZJPSHVAC-UHFFFAOYSA-N 1 2 311.385 3.069 10 0 DGAELO Cc1cc(-c2nnc(C[N@@H+]3CCOCC34CCCC4)o2)c(C)o1 ZINC000408022548 434536659 /nfs/dbraw/zinc/53/66/59/434536659.db2.gz NQSHTJDIIRMXLE-UHFFFAOYSA-N 1 2 317.389 3.091 10 0 DGAELO Cc1cc(-c2nnc(C[N@H+]3CCOCC34CCCC4)o2)c(C)o1 ZINC000408022548 434536666 /nfs/dbraw/zinc/53/66/66/434536666.db2.gz NQSHTJDIIRMXLE-UHFFFAOYSA-N 1 2 317.389 3.091 10 0 DGAELO Cc1c(C(=O)N2CCn3cc[nH+]c3C2)oc2c1c(C)ccc2C ZINC000408167074 434548501 /nfs/dbraw/zinc/54/85/01/434548501.db2.gz WDHPPKFOTMDBEO-UHFFFAOYSA-N 1 2 309.369 3.211 10 0 DGAELO CC(C)(C)[C@H]1CC[N@H+](Cc2noc(C3CCCCC3)n2)C[C@@H]1O ZINC000408197357 434550016 /nfs/dbraw/zinc/55/00/16/434550016.db2.gz IBGLOHUEDOTBCL-GJZGRUSLSA-N 1 2 321.465 3.346 10 0 DGAELO CC(C)(C)[C@H]1CC[N@@H+](Cc2noc(C3CCCCC3)n2)C[C@@H]1O ZINC000408197357 434550021 /nfs/dbraw/zinc/55/00/21/434550021.db2.gz IBGLOHUEDOTBCL-GJZGRUSLSA-N 1 2 321.465 3.346 10 0 DGAELO c1nn(-c2ccccc2)c2nc[nH+]c(NCC[C@@H]3CCCOC3)c12 ZINC000528072470 295172877 /nfs/dbraw/zinc/17/28/77/295172877.db2.gz OGFCCRGPOMAQAB-AWEZNQCLSA-N 1 2 323.400 3.044 10 0 DGAELO c1cc(-c2nc(C[NH+]3CC4(C3)CCCOC4)cs2)cs1 ZINC000459611992 434629942 /nfs/dbraw/zinc/62/99/42/434629942.db2.gz VJNODCDZVRYSTO-UHFFFAOYSA-N 1 2 306.456 3.484 10 0 DGAELO Brc1csc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000372468716 434832028 /nfs/dbraw/zinc/83/20/28/434832028.db2.gz LQNIVBAPOQMEDA-LBPRGKRZSA-N 1 2 302.237 3.121 10 0 DGAELO Brc1csc(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000372468716 434832032 /nfs/dbraw/zinc/83/20/32/434832032.db2.gz LQNIVBAPOQMEDA-LBPRGKRZSA-N 1 2 302.237 3.121 10 0 DGAELO Cc1nc(C[NH2+][C@H](C)c2cccnc2)sc1Br ZINC000453270878 434846574 /nfs/dbraw/zinc/84/65/74/434846574.db2.gz RUVUAPRXXAFMNT-MRVPVSSYSA-N 1 2 312.236 3.460 10 0 DGAELO Cc1ccc(-c2noc(C[N@@H+]3CCc4ccc(O)cc4C3)n2)cc1 ZINC000533071728 435208492 /nfs/dbraw/zinc/20/84/92/435208492.db2.gz ITKOWFUMXDPDFW-UHFFFAOYSA-N 1 2 321.380 3.309 10 0 DGAELO Cc1ccc(-c2noc(C[N@H+]3CCc4ccc(O)cc4C3)n2)cc1 ZINC000533071728 435208495 /nfs/dbraw/zinc/20/84/95/435208495.db2.gz ITKOWFUMXDPDFW-UHFFFAOYSA-N 1 2 321.380 3.309 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[C@@H]1C)C2 ZINC000535192500 435325217 /nfs/dbraw/zinc/32/52/17/435325217.db2.gz WXRQUNXGYXVXJI-MJBXVCDLSA-N 1 2 303.450 3.190 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[C@@H]1C)CC2 ZINC000535192500 435325220 /nfs/dbraw/zinc/32/52/20/435325220.db2.gz WXRQUNXGYXVXJI-MJBXVCDLSA-N 1 2 303.450 3.190 10 0 DGAELO COC(=O)[C@@H]([NH2+]CC(C)(C)c1ccc(F)cc1Cl)C1CC1 ZINC000513457739 435388511 /nfs/dbraw/zinc/38/85/11/435388511.db2.gz KZWXOMYYTDZOHN-AWEZNQCLSA-N 1 2 313.800 3.298 10 0 DGAELO COC(=O)[C@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000513432715 435389986 /nfs/dbraw/zinc/38/99/86/435389986.db2.gz SXYBBVRVYIXBBS-TVQRCGJNSA-N 1 2 317.307 3.187 10 0 DGAELO COC(=O)[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000513453599 435390321 /nfs/dbraw/zinc/39/03/21/435390321.db2.gz YMWTTXHAHIIZBF-TVQRCGJNSA-N 1 2 301.308 3.308 10 0 DGAELO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)c(Cl)c1 ZINC000537619037 435455018 /nfs/dbraw/zinc/45/50/18/435455018.db2.gz WUGASHKEENRSJI-HNNXBMFYSA-N 1 2 311.809 3.265 10 0 DGAELO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)c(Cl)c1 ZINC000537619037 435455023 /nfs/dbraw/zinc/45/50/23/435455023.db2.gz WUGASHKEENRSJI-HNNXBMFYSA-N 1 2 311.809 3.265 10 0 DGAELO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccoc1C1CC1)c1ccccc1 ZINC000540608779 435609585 /nfs/dbraw/zinc/60/95/85/435609585.db2.gz VDXKGFVNHHWCBO-INIZCTEOSA-N 1 2 321.380 3.410 10 0 DGAELO Cc1scc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1C ZINC000540210140 435593660 /nfs/dbraw/zinc/59/36/60/435593660.db2.gz WNXDPIXZXUJJKK-UHFFFAOYSA-N 1 2 320.483 3.384 10 0 DGAELO Cc1ccc(-c2noc(C[N@@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)n2)cc1 ZINC000518858457 435657229 /nfs/dbraw/zinc/65/72/29/435657229.db2.gz HBZJNCJIGGDBTC-BBRMVZONSA-N 1 2 313.401 3.044 10 0 DGAELO Cc1ccc(-c2noc(C[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)n2)cc1 ZINC000518858457 435657233 /nfs/dbraw/zinc/65/72/33/435657233.db2.gz HBZJNCJIGGDBTC-BBRMVZONSA-N 1 2 313.401 3.044 10 0 DGAELO C[C@@H]1C[N@H+](Cc2ccc(I)cc2)[C@@H]1C ZINC000549926347 435783100 /nfs/dbraw/zinc/78/31/00/435783100.db2.gz BFOGVDAEJKFGDS-NXEZZACHSA-N 1 2 301.171 3.131 10 0 DGAELO C[C@@H]1C[N@@H+](Cc2ccc(I)cc2)[C@@H]1C ZINC000549926347 435783105 /nfs/dbraw/zinc/78/31/05/435783105.db2.gz BFOGVDAEJKFGDS-NXEZZACHSA-N 1 2 301.171 3.131 10 0 DGAELO C[C@@H]1C[N@H+](Cc2ccc(I)cc2)[C@H]1C ZINC000549926350 435785225 /nfs/dbraw/zinc/78/52/25/435785225.db2.gz BFOGVDAEJKFGDS-ZJUUUORDSA-N 1 2 301.171 3.131 10 0 DGAELO C[C@@H]1C[N@@H+](Cc2ccc(I)cc2)[C@H]1C ZINC000549926350 435785228 /nfs/dbraw/zinc/78/52/28/435785228.db2.gz BFOGVDAEJKFGDS-ZJUUUORDSA-N 1 2 301.171 3.131 10 0 DGAELO Cc1cc(C[N@@H+]2CCCC[C@H]2c2nnc[nH]2)c2ccccc2n1 ZINC000182757034 301273536 /nfs/dbraw/zinc/27/35/36/301273536.db2.gz SLMNOOLQNCIQRW-KRWDZBQOSA-N 1 2 307.401 3.389 10 0 DGAELO Cc1cc(C[N@H+]2CCCC[C@H]2c2nnc[nH]2)c2ccccc2n1 ZINC000182757034 301273538 /nfs/dbraw/zinc/27/35/38/301273538.db2.gz SLMNOOLQNCIQRW-KRWDZBQOSA-N 1 2 307.401 3.389 10 0 DGAELO COCCc1noc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000171614382 312726092 /nfs/dbraw/zinc/72/60/92/312726092.db2.gz LMEOFUXXOKOQDY-ZDUSSCGKSA-N 1 2 303.406 3.233 10 0 DGAELO c1ccc([C@H]([NH2+]Cc2nnc(C3CC3)s2)C2CCC2)nc1 ZINC000528650426 313051029 /nfs/dbraw/zinc/05/10/29/313051029.db2.gz BWOPGNKUUKRSDD-OAHLLOKOSA-N 1 2 300.431 3.442 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc3c[nH]nc31)C2 ZINC000530526575 313380084 /nfs/dbraw/zinc/38/00/84/313380084.db2.gz FDYBHFLBGSNYPE-NSHDSACASA-N 1 2 323.400 3.153 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc3c[nH]nc31)CC2 ZINC000530526575 313380086 /nfs/dbraw/zinc/38/00/86/313380086.db2.gz FDYBHFLBGSNYPE-NSHDSACASA-N 1 2 323.400 3.153 10 0 DGAELO O=C(NCCCCn1cc[nH+]c1)c1ccc(-c2ccccc2)o1 ZINC000541428848 314014274 /nfs/dbraw/zinc/01/42/74/314014274.db2.gz NCILZKXAPRSESP-UHFFFAOYSA-N 1 2 309.369 3.353 10 0 DGAELO COC(=O)[C@H](C1CC1)[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000542915283 314106140 /nfs/dbraw/zinc/10/61/40/314106140.db2.gz XSNJUWASXZSTDQ-KRWDZBQOSA-N 1 2 303.377 3.257 10 0 DGAELO CO[C@H]1CC[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000554731998 314697995 /nfs/dbraw/zinc/69/79/95/314697995.db2.gz KQPMTPOWCFJURF-HIFRSBDPSA-N 1 2 312.369 3.171 10 0 DGAELO C[C@H]([NH2+]Cc1cccc(O)c1Br)c1cscn1 ZINC000563444464 315116373 /nfs/dbraw/zinc/11/63/73/315116373.db2.gz NLXZNQUPHQCGMW-QMMMGPOBSA-N 1 2 313.220 3.462 10 0 DGAELO COC(=O)c1coc([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000571270416 315709012 /nfs/dbraw/zinc/70/90/12/315709012.db2.gz ZJQMXWUPZKDCAW-LBPRGKRZSA-N 1 2 315.373 3.235 10 0 DGAELO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCCC1CC1 ZINC000577165895 316208799 /nfs/dbraw/zinc/20/87/99/316208799.db2.gz PUNCUMMYBLDCPM-UHFFFAOYSA-N 1 2 306.454 3.057 10 0 DGAELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccccc1F ZINC000179904669 323216737 /nfs/dbraw/zinc/21/67/37/323216737.db2.gz DHRFLQLXZLQGCK-NSHDSACASA-N 1 2 320.339 3.263 10 0 DGAELO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000179916591 323217177 /nfs/dbraw/zinc/21/71/77/323217177.db2.gz UCZWLPJFMKLVAJ-LLVKDONJSA-N 1 2 320.339 3.263 10 0 DGAELO Cc1nc(C[N@H+](Cc2ccccn2)C2CC2)nc2ccccc12 ZINC000180869541 323239843 /nfs/dbraw/zinc/23/98/43/323239843.db2.gz DHMMHMWUFPEGQZ-UHFFFAOYSA-N 1 2 304.397 3.498 10 0 DGAELO Cc1nc(C[N@@H+](Cc2ccccn2)C2CC2)nc2ccccc12 ZINC000180869541 323239847 /nfs/dbraw/zinc/23/98/47/323239847.db2.gz DHMMHMWUFPEGQZ-UHFFFAOYSA-N 1 2 304.397 3.498 10 0 DGAELO O=C(c1c[nH]c2cc(F)ccc21)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000181194815 323248836 /nfs/dbraw/zinc/24/88/36/323248836.db2.gz HAWMXOULVFWRRV-OAHLLOKOSA-N 1 2 312.348 3.398 10 0 DGAELO Cc1ccccc1[C@H]([NH2+]Cc1nsc(N(C)C)n1)C(C)C ZINC000183228450 323330677 /nfs/dbraw/zinc/33/06/77/323330677.db2.gz RGOOSKZHXRZJNZ-OAHLLOKOSA-N 1 2 304.463 3.399 10 0 DGAELO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccccc2F)cs1 ZINC000184694214 323372720 /nfs/dbraw/zinc/37/27/20/323372720.db2.gz QDZMOROWGIMXTN-JTQLQIEISA-N 1 2 307.394 3.134 10 0 DGAELO CC[C@@H]([NH2+]CC(=O)Nc1cc(C)cc(C)c1)c1nccs1 ZINC000185056887 323379800 /nfs/dbraw/zinc/37/98/00/323379800.db2.gz ISKSLAJJYRIAEQ-CQSZACIVSA-N 1 2 303.431 3.439 10 0 DGAELO CCc1ccccc1NC(=O)C[NH2+][C@@H](CC)c1nccs1 ZINC000185039453 323379843 /nfs/dbraw/zinc/37/98/43/323379843.db2.gz CCHQPVLZSHZZRQ-ZDUSSCGKSA-N 1 2 303.431 3.385 10 0 DGAELO CC[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1nccs1 ZINC000185085369 323380214 /nfs/dbraw/zinc/38/02/14/323380214.db2.gz JZLTYWOOEUHGPR-CYBMUJFWSA-N 1 2 323.849 3.154 10 0 DGAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000185892450 323397837 /nfs/dbraw/zinc/39/78/37/323397837.db2.gz ZWAOKUBFQJEVNH-AWEZNQCLSA-N 1 2 301.217 3.223 10 0 DGAELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000185892450 323397839 /nfs/dbraw/zinc/39/78/39/323397839.db2.gz ZWAOKUBFQJEVNH-AWEZNQCLSA-N 1 2 301.217 3.223 10 0 DGAELO c1ccc2c(c1)CCN2c1cc(N[C@@H]2CC23CCOCC3)[nH+]cn1 ZINC000581351458 324107535 /nfs/dbraw/zinc/10/75/35/324107535.db2.gz ZQLUTRYJLVHXHK-MRXNPFEDSA-N 1 2 322.412 3.152 10 0 DGAELO CCCCOc1cc2c(cc1OC)CC[N@@H+]1CCC(=O)C[C@@H]21 ZINC000584626444 337376013 /nfs/dbraw/zinc/37/60/13/337376013.db2.gz NPJZRFAIGQJIKE-INIZCTEOSA-N 1 2 303.402 3.136 10 0 DGAELO CCCCOc1cc2c(cc1OC)CC[N@H+]1CCC(=O)C[C@@H]21 ZINC000584626444 337376014 /nfs/dbraw/zinc/37/60/14/337376014.db2.gz 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/nfs/dbraw/zinc/68/29/82/534682982.db2.gz RLVNWWNCSNCBSA-UHFFFAOYSA-N 1 2 314.433 3.224 10 0 DGAELO Cn1ccnc1C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000309907815 534790783 /nfs/dbraw/zinc/79/07/83/534790783.db2.gz RAHLFBZPIDKXOO-UHFFFAOYSA-N 1 2 307.397 3.289 10 0 DGAELO COc1ccccc1OCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157585365 524674971 /nfs/dbraw/zinc/67/49/71/524674971.db2.gz YDYQNVMDMQNSOC-INIZCTEOSA-N 1 2 319.426 3.209 10 0 DGAELO COc1ccccc1OCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157585365 524674980 /nfs/dbraw/zinc/67/49/80/524674980.db2.gz YDYQNVMDMQNSOC-INIZCTEOSA-N 1 2 319.426 3.209 10 0 DGAELO C[C@@H]1C[NH+](Cc2ccc(-c3ccncc3)cc2F)C[C@@H](C)O1 ZINC000156558646 524987693 /nfs/dbraw/zinc/98/76/93/524987693.db2.gz ZIMGXNRHBUSFHT-ZIAGYGMSSA-N 1 2 300.377 3.497 10 0 DGAELO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156012625 526048899 /nfs/dbraw/zinc/04/88/99/526048899.db2.gz WTASHOQZEJZQRB-TZMCWYRMSA-N 1 2 317.820 3.319 10 0 DGAELO O[C@]12CCCC[C@@H]1C[N@H+](Cc1noc(C3CCCCC3)n1)CC2 ZINC000157183500 526321728 /nfs/dbraw/zinc/32/17/28/526321728.db2.gz LSRQTWHOXPZIRZ-QAPCUYQASA-N 1 2 319.449 3.244 10 0 DGAELO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1noc(C3CCCCC3)n1)CC2 ZINC000157183500 526321732 /nfs/dbraw/zinc/32/17/32/526321732.db2.gz LSRQTWHOXPZIRZ-QAPCUYQASA-N 1 2 319.449 3.244 10 0 DGAELO c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000156986590 526483599 /nfs/dbraw/zinc/48/35/99/526483599.db2.gz LRRUCYNVWZRFQO-MRXNPFEDSA-N 1 2 312.417 3.414 10 0 DGAELO c1ccc(N[C@@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000156986590 526483604 /nfs/dbraw/zinc/48/36/04/526483604.db2.gz LRRUCYNVWZRFQO-MRXNPFEDSA-N 1 2 312.417 3.414 10 0 DGAELO Brc1cnn(CCNc2ccc3ccccc3[nH+]2)c1 ZINC000312027866 526652383 /nfs/dbraw/zinc/65/23/83/526652383.db2.gz WVSNNJLNGLXJRO-UHFFFAOYSA-N 1 2 317.190 3.306 10 0 DGAELO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430268730 527399059 /nfs/dbraw/zinc/39/90/59/527399059.db2.gz KZRKRPMIYKBCOT-TZMCWYRMSA-N 1 2 300.402 3.114 10 0 DGAELO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430268730 527399066 /nfs/dbraw/zinc/39/90/66/527399066.db2.gz KZRKRPMIYKBCOT-TZMCWYRMSA-N 1 2 300.402 3.114 10 0 DGAELO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1noc(C3CCCCC3)n1)CC2 ZINC000157183352 527682645 /nfs/dbraw/zinc/68/26/45/527682645.db2.gz LSRQTWHOXPZIRZ-CRAIPNDOSA-N 1 2 319.449 3.244 10 0 DGAELO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1noc(C3CCCCC3)n1)CC2 ZINC000157183352 527682649 /nfs/dbraw/zinc/68/26/49/527682649.db2.gz LSRQTWHOXPZIRZ-CRAIPNDOSA-N 1 2 319.449 3.244 10 0 DGAELO CCCN(CC1CCCCC1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000302873429 528032041 /nfs/dbraw/zinc/03/20/41/528032041.db2.gz CQKCNZDFGUNBSJ-UHFFFAOYSA-N 1 2 318.465 3.110 10 0 DGAELO CCCN(CC1CCCCC1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000302873429 528032042 /nfs/dbraw/zinc/03/20/42/528032042.db2.gz CQKCNZDFGUNBSJ-UHFFFAOYSA-N 1 2 318.465 3.110 10 0 DGAELO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000451158584 534988672 /nfs/dbraw/zinc/98/86/72/534988672.db2.gz LHKHHSQDCOWHDL-NSHDSACASA-N 1 2 312.816 3.093 10 0 DGAELO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000451158584 534988674 /nfs/dbraw/zinc/98/86/74/534988674.db2.gz LHKHHSQDCOWHDL-NSHDSACASA-N 1 2 312.816 3.093 10 0 DGAELO Cc1cc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc[nH+]1 ZINC000119200186 545877929 /nfs/dbraw/zinc/87/79/29/545877929.db2.gz FOBLWRAMSVXFBK-INIZCTEOSA-N 1 2 303.406 3.346 10 0 DGAELO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cncnc2)CC1 ZINC000131116013 545954453 /nfs/dbraw/zinc/95/44/53/545954453.db2.gz YAUPSKPONCYCNM-AWEZNQCLSA-N 1 2 316.836 3.009 10 0 DGAELO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cncnc2)CC1 ZINC000131116013 545954454 /nfs/dbraw/zinc/95/44/54/545954454.db2.gz YAUPSKPONCYCNM-AWEZNQCLSA-N 1 2 316.836 3.009 10 0 DGAELO CC[N@H+](Cc1cncnc1)Cc1cc(Br)ccc1F ZINC000154674951 546019830 /nfs/dbraw/zinc/01/98/30/546019830.db2.gz LMMZXFOUPLTWAS-UHFFFAOYSA-N 1 2 324.197 3.400 10 0 DGAELO CC[N@@H+](Cc1cncnc1)Cc1cc(Br)ccc1F ZINC000154674951 546019836 /nfs/dbraw/zinc/01/98/36/546019836.db2.gz LMMZXFOUPLTWAS-UHFFFAOYSA-N 1 2 324.197 3.400 10 0 DGAELO Fc1cccc2c1SCC[C@H]2[NH2+][C@@H]1CCCn2ncnc21 ZINC000178356824 546128796 /nfs/dbraw/zinc/12/87/96/546128796.db2.gz JAKASGRGWILLCS-CHWSQXEVSA-N 1 2 304.394 3.079 10 0 DGAELO CCc1nn(C)cc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000180396405 546145117 /nfs/dbraw/zinc/14/51/17/546145117.db2.gz JHNHDGMFMUMRSP-ACJLOTCBSA-N 1 2 317.408 3.084 10 0 DGAELO CCc1nn(C)cc1C[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000180396405 546145120 /nfs/dbraw/zinc/14/51/20/546145120.db2.gz JHNHDGMFMUMRSP-ACJLOTCBSA-N 1 2 317.408 3.084 10 0 DGAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000181036570 546150816 /nfs/dbraw/zinc/15/08/16/546150816.db2.gz YXZVYBDVWPQNCM-LZVXQISVSA-N 1 2 320.387 3.092 10 0 DGAELO Cc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccn1C ZINC000195137707 546252090 /nfs/dbraw/zinc/25/20/90/546252090.db2.gz CXWIFNRTCATKJV-UHFFFAOYSA-N 1 2 318.446 3.028 10 0 DGAELO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccn1C ZINC000195154164 546253350 /nfs/dbraw/zinc/25/33/50/546253350.db2.gz IEMPUYYXNAVQLR-UHFFFAOYSA-N 1 2 314.776 3.425 10 0 DGAELO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000214988277 546260741 /nfs/dbraw/zinc/26/07/41/546260741.db2.gz WTHDKKUIPRAHLV-VXGBXAGGSA-N 1 2 305.447 3.289 10 0 DGAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(OC(F)F)c1)C2 ZINC000220614961 546263948 /nfs/dbraw/zinc/26/39/48/546263948.db2.gz KUTDTAUTZDUKSZ-SNVBAGLBSA-N 1 2 321.327 3.063 10 0 DGAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(OC(F)F)c1)CC2 ZINC000220614961 546263953 /nfs/dbraw/zinc/26/39/53/546263953.db2.gz KUTDTAUTZDUKSZ-SNVBAGLBSA-N 1 2 321.327 3.063 10 0 DGAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc3cccnc31)C2 ZINC000220613275 546264557 /nfs/dbraw/zinc/26/45/57/546264557.db2.gz LIANJYRPCRIYPF-CYBMUJFWSA-N 1 2 306.369 3.010 10 0 DGAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc3cccnc31)CC2 ZINC000220613275 546264560 /nfs/dbraw/zinc/26/45/60/546264560.db2.gz LIANJYRPCRIYPF-CYBMUJFWSA-N 1 2 306.369 3.010 10 0 DGAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000220617988 546264950 /nfs/dbraw/zinc/26/49/50/546264950.db2.gz SUYZLMNUGVDVGE-GDBMZVCRSA-N 1 2 309.413 3.017 10 0 DGAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000220617988 546264955 /nfs/dbraw/zinc/26/49/55/546264955.db2.gz SUYZLMNUGVDVGE-GDBMZVCRSA-N 1 2 309.413 3.017 10 0 DGAELO Cc1nc(NCCOC(C)(C)C)c(Br)c(C)[nH+]1 ZINC000308535043 546449966 /nfs/dbraw/zinc/44/99/66/546449966.db2.gz XQCDNMLUIOGOKW-UHFFFAOYSA-N 1 2 302.216 3.083 10 0 DGAELO Clc1cscc1C[NH2+]Cc1n[nH]cc1Br ZINC000308878257 546450346 /nfs/dbraw/zinc/45/03/46/546450346.db2.gz OLZFWSHMWXPGSN-UHFFFAOYSA-N 1 2 306.616 3.177 10 0 DGAELO FC(F)n1ccnc1C[NH2+]Cc1ccsc1Br ZINC000388401201 546749279 /nfs/dbraw/zinc/74/92/79/546749279.db2.gz NYAOXWHRTRVXSR-UHFFFAOYSA-N 1 2 322.178 3.392 10 0 DGAELO c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000389939462 546753632 /nfs/dbraw/zinc/75/36/32/546753632.db2.gz LVHGESPIVZFCOK-LJQANCHMSA-N 1 2 318.424 3.494 10 0 DGAELO Cc1ncc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)o1 ZINC000397955502 546763297 /nfs/dbraw/zinc/76/32/97/546763297.db2.gz RLDNHQKFZWTZBZ-ZDUSSCGKSA-N 1 2 323.190 3.359 10 0 DGAELO CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000470950341 546900715 /nfs/dbraw/zinc/90/07/15/546900715.db2.gz UIKXDYIJLQKNOD-SMDDNHRTSA-N 1 2 314.351 3.460 10 0 DGAELO CCc1cccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000470950341 546900721 /nfs/dbraw/zinc/90/07/21/546900721.db2.gz UIKXDYIJLQKNOD-SMDDNHRTSA-N 1 2 314.351 3.460 10 0 DGAELO Brc1cnn(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000733991100 574647113 /nfs/dbraw/zinc/64/71/13/574647113.db2.gz BDBBSWSQRNFKHE-CQSZACIVSA-N 1 2 310.239 3.425 10 0 DGAELO Brc1cnn(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000733991100 574647115 /nfs/dbraw/zinc/64/71/15/574647115.db2.gz BDBBSWSQRNFKHE-CQSZACIVSA-N 1 2 310.239 3.425 10 0 DGAELO C[C@H](Cn1cc[nH+]c1)NC(=O)NC(C1CCCC1)C1CCCC1 ZINC000735510522 574705706 /nfs/dbraw/zinc/70/57/06/574705706.db2.gz MKEWIVHFDGVKGE-CQSZACIVSA-N 1 2 318.465 3.320 10 0 DGAELO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1c(F)cccc1F ZINC000738951878 574887306 /nfs/dbraw/zinc/88/73/06/574887306.db2.gz LSTWVPPTZNCIDB-JTQLQIEISA-N 1 2 316.311 3.495 10 0 DGAELO CC(C)N(Cc1ccccn1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738952762 575987427 /nfs/dbraw/zinc/98/74/27/575987427.db2.gz UMVSBRKNSLCFCU-UHFFFAOYSA-N 1 2 309.373 3.172 10 0 DGAELO Cc1cnc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)o1 ZINC000231640608 576158938 /nfs/dbraw/zinc/15/89/38/576158938.db2.gz GWXFRPMDMGWGLZ-LBPRGKRZSA-N 1 2 323.190 3.359 10 0 DGAELO CO[C@@H]1C[C@H](c2ncc[nH]2)[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000888077488 618016545 /nfs/dbraw/zinc/01/65/45/618016545.db2.gz DRWVVPCILOYPRE-SJLPKXTDSA-N 1 2 322.412 3.228 10 0 DGAELO CO[C@@H]1C[C@H](c2ncc[nH]2)[N@@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000888077488 618016550 /nfs/dbraw/zinc/01/65/50/618016550.db2.gz 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GZPIPYOMVXENDG-ZDUSSCGKSA-N 1 2 313.492 3.364 10 0 DGAELO CC[C@H](CC#N)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000188005664 661911266 /nfs/dbraw/zinc/91/12/66/661911266.db2.gz DOBYTHGQKKHRND-SJORKVTESA-N 1 2 300.402 3.277 10 0 DGAELO CC[C@H](CC#N)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000188005664 661911270 /nfs/dbraw/zinc/91/12/70/661911270.db2.gz DOBYTHGQKKHRND-SJORKVTESA-N 1 2 300.402 3.277 10 0 DGAELO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(C(C)(C)C)cc1 ZINC000194296232 662162989 /nfs/dbraw/zinc/16/29/89/662162989.db2.gz COQMWHCJQDGZDJ-AWEZNQCLSA-N 1 2 314.433 3.241 10 0 DGAELO Brc1c[nH]c(CNc2ccc([NH+]3CCCC3)cc2)n1 ZINC000394106593 685221008 /nfs/dbraw/zinc/22/10/08/685221008.db2.gz IAUQYEVVIVEYAV-UHFFFAOYSA-N 1 2 321.222 3.385 10 0 DGAELO C[C@]1(CO)CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000305235867 1199679443 /nfs/dbraw/zinc/67/94/43/1199679443.db2.gz XATHBKASYORSFZ-AWEZNQCLSA-N 1 2 316.214 3.183 10 0 DGAELO C[C@]1(CO)CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000305235867 1199679445 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CCCn1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cn1 ZINC000129969743 432012383 /nfs/dbraw/zinc/01/23/83/432012383.db2.gz IVONFCJDOTXVCB-KDOFPFPSSA-N 1 2 317.408 3.394 10 0 DGAELO CCCn1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cn1 ZINC000129969743 432012384 /nfs/dbraw/zinc/01/23/84/432012384.db2.gz IVONFCJDOTXVCB-KDOFPFPSSA-N 1 2 317.408 3.394 10 0 DGAELO CCn1nccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000129969311 432012451 /nfs/dbraw/zinc/01/24/51/432012451.db2.gz NUYSDJRNFJCTDV-DYVFJYSZSA-N 1 2 303.381 3.004 10 0 DGAELO CCn1nccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000129969311 432012452 /nfs/dbraw/zinc/01/24/52/432012452.db2.gz NUYSDJRNFJCTDV-DYVFJYSZSA-N 1 2 303.381 3.004 10 0 DGAELO CC1(C)CCCC[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000194227483 186270952 /nfs/dbraw/zinc/27/09/52/186270952.db2.gz LJNOEQKSDCUKLJ-HNNXBMFYSA-N 1 2 312.417 3.100 10 0 DGAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)o1 ZINC000189937503 186251969 /nfs/dbraw/zinc/25/19/69/186251969.db2.gz 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ZINC000370158788 293159341 /nfs/dbraw/zinc/15/93/41/293159341.db2.gz DYSZABIBUGJCOS-KFWWJZLASA-N 1 2 315.461 3.287 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3CCCC[C@@H]3C1)CC2 ZINC000370158788 293159343 /nfs/dbraw/zinc/15/93/43/293159343.db2.gz DYSZABIBUGJCOS-KFWWJZLASA-N 1 2 315.461 3.287 10 0 DGAELO Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000372393896 293242958 /nfs/dbraw/zinc/24/29/58/293242958.db2.gz JAAWXTUVLBGKRL-HNNXBMFYSA-N 1 2 311.429 3.263 10 0 DGAELO Cc1ccc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000372393896 293242959 /nfs/dbraw/zinc/24/29/59/293242959.db2.gz JAAWXTUVLBGKRL-HNNXBMFYSA-N 1 2 311.429 3.263 10 0 DGAELO Cn1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c2cc(F)ccc21 ZINC000373822496 293319863 /nfs/dbraw/zinc/31/98/63/293319863.db2.gz IZMOHJSIEAHOIE-OAHLLOKOSA-N 1 2 312.348 3.018 10 0 DGAELO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000374156204 293359593 /nfs/dbraw/zinc/35/95/93/293359593.db2.gz FAEYLMCLNQWORN-WBVHZDCISA-N 1 2 320.481 3.032 10 0 DGAELO CCCCC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000374156204 293359594 /nfs/dbraw/zinc/35/95/94/293359594.db2.gz FAEYLMCLNQWORN-WBVHZDCISA-N 1 2 320.481 3.032 10 0 DGAELO COc1cccc(C2=CC[N@H+](Cc3ncnn3C(C)C)CC2)c1 ZINC000376480533 433751451 /nfs/dbraw/zinc/75/14/51/433751451.db2.gz ZLTAUDDPNDECNW-UHFFFAOYSA-N 1 2 312.417 3.157 10 0 DGAELO COc1cccc(C2=CC[N@@H+](Cc3ncnn3C(C)C)CC2)c1 ZINC000376480533 433751458 /nfs/dbraw/zinc/75/14/58/433751458.db2.gz ZLTAUDDPNDECNW-UHFFFAOYSA-N 1 2 312.417 3.157 10 0 DGAELO O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2cc[nH+]c3ccncc32)C1 ZINC000339782730 433781168 /nfs/dbraw/zinc/78/11/68/433781168.db2.gz HHFHORJRLUTVIR-KSSFIOAISA-N 1 2 309.344 3.081 10 0 DGAELO CCc1ccsc1CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000301950383 433803941 /nfs/dbraw/zinc/80/39/41/433803941.db2.gz ISLPQVZZWMVFSG-UHFFFAOYSA-N 1 2 305.451 3.297 10 0 DGAELO CCc1ccsc1CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000301950383 433803951 /nfs/dbraw/zinc/80/39/51/433803951.db2.gz ISLPQVZZWMVFSG-UHFFFAOYSA-N 1 2 305.451 3.297 10 0 DGAELO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357122535 433872871 /nfs/dbraw/zinc/87/28/71/433872871.db2.gz AXBMHFROMXMNNJ-KYOSRNDESA-N 1 2 317.339 3.155 10 0 DGAELO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1nc(C2CC2)no1 ZINC000284282726 433876099 /nfs/dbraw/zinc/87/60/99/433876099.db2.gz NKXSCCYFKZMHIE-APHBMKBZSA-N 1 2 312.417 3.043 10 0 DGAELO c1csc(-c2nc(C[NH2+][C@@H]3CCCc4n[nH]cc43)co2)c1 ZINC000375851012 293579636 /nfs/dbraw/zinc/57/96/36/293579636.db2.gz KKKWZDGOYIMXOT-GFCCVEGCSA-N 1 2 300.387 3.293 10 0 DGAELO CCC[C@@]1(COC)CCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC000302803621 433863880 /nfs/dbraw/zinc/86/38/80/433863880.db2.gz DOAQCLVBXMFXDZ-SFHVURJKSA-N 1 2 303.450 3.449 10 0 DGAELO CN1CC[C@@H](CNc2cc(N3CCCC3)nc[nH+]2)c2ccccc21 ZINC000302876674 433896311 /nfs/dbraw/zinc/89/63/11/433896311.db2.gz FRSOEWXMSBAPCO-HNNXBMFYSA-N 1 2 323.444 3.112 10 0 DGAELO CN1CC[C@@H](CNc2cc(N3CCCC3)[nH+]cn2)c2ccccc21 ZINC000302876674 433896319 /nfs/dbraw/zinc/89/63/19/433896319.db2.gz FRSOEWXMSBAPCO-HNNXBMFYSA-N 1 2 323.444 3.112 10 0 DGAELO Brc1ccc2c(c1)[C@H]([NH2+]Cc1cocn1)CS2 ZINC000362955726 433930045 /nfs/dbraw/zinc/93/00/45/433930045.db2.gz TXXACWZMNMJXRG-LLVKDONJSA-N 1 2 311.204 3.374 10 0 DGAELO Cc1csc(NC2CC[NH+](Cc3ncc(C)s3)CC2)n1 ZINC000357612315 434100524 /nfs/dbraw/zinc/10/05/24/434100524.db2.gz YWCJVGLALONEAN-UHFFFAOYSA-N 1 2 308.476 3.293 10 0 DGAELO Cc1csc([C@H](C)Nc2nc(N(C)C)c3ccccc3[nH+]2)n1 ZINC000450305625 434093146 /nfs/dbraw/zinc/09/31/46/434093146.db2.gz AXADPWLSUJQKNC-NSHDSACASA-N 1 2 313.430 3.056 10 0 DGAELO CC(=O)N1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)[C@H](C)C1 ZINC000450385167 434143804 /nfs/dbraw/zinc/14/38/04/434143804.db2.gz DJSNLINSEOTYQN-SNVBAGLBSA-N 1 2 321.783 3.084 10 0 DGAELO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1[nH+]ccn1C ZINC000357766346 434168613 /nfs/dbraw/zinc/16/86/13/434168613.db2.gz FIQLZLTXHWAGFJ-OAHLLOKOSA-N 1 2 315.417 3.017 10 0 DGAELO COC(=O)[C@H]([NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000513432712 294472536 /nfs/dbraw/zinc/47/25/36/294472536.db2.gz SXYBBVRVYIXBBS-NOZJJQNGSA-N 1 2 317.307 3.187 10 0 DGAELO COC(=O)[C@@H]([NH2+]CC1(c2c(F)cccc2F)CCCC1)C1CC1 ZINC000513447580 294474188 /nfs/dbraw/zinc/47/41/88/294474188.db2.gz MTVSCAVPORLVHO-INIZCTEOSA-N 1 2 323.383 3.318 10 0 DGAELO CCc1nnc(C[NH2+]Cc2ccsc2Br)s1 ZINC000391965255 434384586 /nfs/dbraw/zinc/38/45/86/434384586.db2.gz RNRJQQYKIHASLA-UHFFFAOYSA-N 1 2 318.265 3.214 10 0 DGAELO COc1cccc(C2([NH2+]Cc3nnc(C4CC4)s3)CC2)c1 ZINC000450682836 434338221 /nfs/dbraw/zinc/33/82/21/434338221.db2.gz QZOVOMIPGMIBQM-UHFFFAOYSA-N 1 2 301.415 3.203 10 0 DGAELO COc1cc(OC)c(C[C@H](C)Nc2cccc[nH+]2)c(OC)c1 ZINC000450712533 434358709 /nfs/dbraw/zinc/35/87/09/434358709.db2.gz RBHBYHVAXYLZOB-LBPRGKRZSA-N 1 2 302.374 3.151 10 0 DGAELO Cc1cccc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)c1 ZINC000393329325 434392204 /nfs/dbraw/zinc/39/22/04/434392204.db2.gz ZYRAZQLDGRKWGA-LLVKDONJSA-N 1 2 308.223 3.342 10 0 DGAELO C[C@@H]1CCCC[C@H]1OCc1noc([C@@H]2CCC[N@@H+]2C2CC2)n1 ZINC000329589302 434438185 /nfs/dbraw/zinc/43/81/85/434438185.db2.gz YASPGLOYTMWAED-VHDGCEQUSA-N 1 2 305.422 3.464 10 0 DGAELO C[C@@H]1CCCC[C@H]1OCc1noc([C@@H]2CCC[N@H+]2C2CC2)n1 ZINC000329589302 434438198 /nfs/dbraw/zinc/43/81/98/434438198.db2.gz YASPGLOYTMWAED-VHDGCEQUSA-N 1 2 305.422 3.464 10 0 DGAELO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1c(F)ccc(Br)c1F ZINC000399201509 434472776 /nfs/dbraw/zinc/47/27/76/434472776.db2.gz NMSZCCHMNAYULL-DTWKUNHWSA-N 1 2 320.177 3.073 10 0 DGAELO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1c(F)ccc(Br)c1F ZINC000399201509 434472782 /nfs/dbraw/zinc/47/27/82/434472782.db2.gz NMSZCCHMNAYULL-DTWKUNHWSA-N 1 2 320.177 3.073 10 0 DGAELO Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(CCCCC3)O2)no1 ZINC000329839709 434492458 /nfs/dbraw/zinc/49/24/58/434492458.db2.gz NVKKOOUTHRVKTM-GJZGRUSLSA-N 1 2 305.422 3.397 10 0 DGAELO Cc1nc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(CCCCC3)O2)no1 ZINC000329839709 434492462 /nfs/dbraw/zinc/49/24/62/434492462.db2.gz NVKKOOUTHRVKTM-GJZGRUSLSA-N 1 2 305.422 3.397 10 0 DGAELO CC[C@@H]1CCCCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000408216391 434552752 /nfs/dbraw/zinc/55/27/52/434552752.db2.gz URHPTMHZJHWMJD-OAHLLOKOSA-N 1 2 304.438 3.084 10 0 DGAELO c1c2ccccc2n2c1CN(c1cc(NCC3CC3)[nH+]cn1)CC2 ZINC000360225325 434554215 /nfs/dbraw/zinc/55/42/15/434554215.db2.gz PFKZIGYUUGLONM-UHFFFAOYSA-N 1 2 319.412 3.273 10 0 DGAELO c1c2ccccc2n2c1CN(c1cc(NCC3CC3)nc[nH+]1)CC2 ZINC000360225325 434554221 /nfs/dbraw/zinc/55/42/21/434554221.db2.gz PFKZIGYUUGLONM-UHFFFAOYSA-N 1 2 319.412 3.273 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCCCS1)C2 ZINC000526014265 295051117 /nfs/dbraw/zinc/05/11/17/295051117.db2.gz OTHALTIVTXKYNZ-QWHCGFSZSA-N 1 2 321.490 3.040 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCCCS1)CC2 ZINC000526014265 295051119 /nfs/dbraw/zinc/05/11/19/295051119.db2.gz OTHALTIVTXKYNZ-QWHCGFSZSA-N 1 2 321.490 3.040 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[C@H](C)CC1)C2 ZINC000526996159 295069415 /nfs/dbraw/zinc/06/94/15/295069415.db2.gz BFUNDZNKPBPSLH-MGPQQGTHSA-N 1 2 303.450 3.333 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[C@H](C)CC1)CC2 ZINC000526996159 295069416 /nfs/dbraw/zinc/06/94/16/295069416.db2.gz BFUNDZNKPBPSLH-MGPQQGTHSA-N 1 2 303.450 3.333 10 0 DGAELO c1cn(-c2cccc(-c3noc([C@H]4CCCC45CC5)n3)n2)c[nH+]1 ZINC000528134740 295179166 /nfs/dbraw/zinc/17/91/66/295179166.db2.gz ZPJKDAUATNXGGY-GFCCVEGCSA-N 1 2 307.357 3.365 10 0 DGAELO Cc1cc(C)c(NC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(C)[nH+]1 ZINC000408466459 434579803 /nfs/dbraw/zinc/57/98/03/434579803.db2.gz MIGANUUBBYWWBO-HUUCEWRRSA-N 1 2 319.449 3.268 10 0 DGAELO C[C@@H]1CCOCC[N@@H+]1CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000360791349 434695325 /nfs/dbraw/zinc/69/53/25/434695325.db2.gz FUTNXZXOZAMUFH-CJNGLKHVSA-N 1 2 324.490 3.062 10 0 DGAELO C[C@@H]1CCOCC[N@H+]1CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000360791349 434695332 /nfs/dbraw/zinc/69/53/32/434695332.db2.gz FUTNXZXOZAMUFH-CJNGLKHVSA-N 1 2 324.490 3.062 10 0 DGAELO C[C@@H]([NH2+]Cc1c(F)cccc1Br)c1ccn(C)n1 ZINC000459798724 434725420 /nfs/dbraw/zinc/72/54/20/434725420.db2.gz UNBKGZPDOVPFGD-SECBINFHSA-N 1 2 312.186 3.173 10 0 DGAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177007258 297149198 /nfs/dbraw/zinc/14/91/98/297149198.db2.gz YXPIPAYJMAWEQI-CHWSQXEVSA-N 1 2 308.447 3.070 10 0 DGAELO CC(C)CSCCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372406772 434821901 /nfs/dbraw/zinc/82/19/01/434821901.db2.gz ZNXSMOSGLZQVAM-ZDUSSCGKSA-N 1 2 323.506 3.143 10 0 DGAELO CC(C)CSCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372406772 434821907 /nfs/dbraw/zinc/82/19/07/434821907.db2.gz ZNXSMOSGLZQVAM-ZDUSSCGKSA-N 1 2 323.506 3.143 10 0 DGAELO CC=CC[C@@H]1NC(=O)N(c2cccc(Oc3cc[nH+]cc3)c2)C1=O ZINC000445979253 434840875 /nfs/dbraw/zinc/84/08/75/434840875.db2.gz DNBNXANRTFVQPB-KZSQQDEKSA-N 1 2 323.352 3.265 10 0 DGAELO CCCCc1noc([C@H](C)[NH+]2CCC(n3cccn3)CC2)n1 ZINC000372604401 434842428 /nfs/dbraw/zinc/84/24/28/434842428.db2.gz LTUVCJRWRKVALV-ZDUSSCGKSA-N 1 2 303.410 3.007 10 0 DGAELO CC[N@H+](CCCNC(=O)NCCCC1CC1)c1ccccc1 ZINC000522909795 434935319 /nfs/dbraw/zinc/93/53/19/434935319.db2.gz KQKLGVBAIJWPON-UHFFFAOYSA-N 1 2 303.450 3.392 10 0 DGAELO CC[N@@H+](CCCNC(=O)NCCCC1CC1)c1ccccc1 ZINC000522909795 434935323 /nfs/dbraw/zinc/93/53/23/434935323.db2.gz KQKLGVBAIJWPON-UHFFFAOYSA-N 1 2 303.450 3.392 10 0 DGAELO C[C@H](CC1CCCCC1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000573988502 434941960 /nfs/dbraw/zinc/94/19/60/434941960.db2.gz CPMNDFJHQCAHMW-CQSZACIVSA-N 1 2 318.465 3.378 10 0 DGAELO c1cn(CCCCNc2cc(OCc3ccccc3)ncn2)c[nH+]1 ZINC000556839182 435030452 /nfs/dbraw/zinc/03/04/52/435030452.db2.gz UNFSQKGCYKUIPV-UHFFFAOYSA-N 1 2 323.400 3.144 10 0 DGAELO CC(C)c1nnc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)o1 ZINC000531869536 435123670 /nfs/dbraw/zinc/12/36/70/435123670.db2.gz JZPAUAFDVHUMCV-CYBMUJFWSA-N 1 2 323.437 3.137 10 0 DGAELO CC(C)c1nnc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)o1 ZINC000531869536 435123673 /nfs/dbraw/zinc/12/36/73/435123673.db2.gz JZPAUAFDVHUMCV-CYBMUJFWSA-N 1 2 323.437 3.137 10 0 DGAELO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470947488 435135902 /nfs/dbraw/zinc/13/59/02/435135902.db2.gz QIQZEONVHLKZHF-WCQYABFASA-N 1 2 314.351 3.460 10 0 DGAELO CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470947488 435135903 /nfs/dbraw/zinc/13/59/03/435135903.db2.gz QIQZEONVHLKZHF-WCQYABFASA-N 1 2 314.351 3.460 10 0 DGAELO CC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)Cc1ccncc1 ZINC000534315610 435280493 /nfs/dbraw/zinc/28/04/93/435280493.db2.gz RYRAFVHPNLJCNP-UHFFFAOYSA-N 1 2 308.385 3.462 10 0 DGAELO CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)Cc1ccncc1 ZINC000534315610 435280500 /nfs/dbraw/zinc/28/05/00/435280500.db2.gz RYRAFVHPNLJCNP-UHFFFAOYSA-N 1 2 308.385 3.462 10 0 DGAELO CCNc1ccc(-c2ccc(-n3ccc4ccncc43)nc2)c[nH+]1 ZINC000584613156 435291164 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ZINC000220594663 546264818 /nfs/dbraw/zinc/26/48/18/546264818.db2.gz BHOZFISVRQLMKZ-LLVKDONJSA-N 1 2 301.415 3.184 10 0 DGAELO CSc1ccccc1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220594663 546264824 /nfs/dbraw/zinc/26/48/24/546264824.db2.gz BHOZFISVRQLMKZ-LLVKDONJSA-N 1 2 301.415 3.184 10 0 DGAELO CCCn1cc(C[N@@H+]2CCN(c3ccccc3F)C[C@H]2C)cn1 ZINC000248904910 546322851 /nfs/dbraw/zinc/32/28/51/546322851.db2.gz OKIIQPMUKQWJQL-OAHLLOKOSA-N 1 2 316.424 3.143 10 0 DGAELO CCCn1cc(C[N@H+]2CCN(c3ccccc3F)C[C@H]2C)cn1 ZINC000248904910 546322860 /nfs/dbraw/zinc/32/28/60/546322860.db2.gz OKIIQPMUKQWJQL-OAHLLOKOSA-N 1 2 316.424 3.143 10 0 DGAELO CC(C)(c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)C1CCCC1 ZINC000329735263 546491938 /nfs/dbraw/zinc/49/19/38/546491938.db2.gz RXCAFBPPNBXRMB-CABCVRRESA-N 1 2 319.449 3.463 10 0 DGAELO CC(C)(c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)C1CCCC1 ZINC000329735263 546491943 /nfs/dbraw/zinc/49/19/43/546491943.db2.gz RXCAFBPPNBXRMB-CABCVRRESA-N 1 2 319.449 3.463 10 0 DGAELO 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CCCCCC[C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173102028 659372861 /nfs/dbraw/zinc/37/28/61/659372861.db2.gz KIXKJHUWAXOUTD-MSOLQXFVSA-N 1 2 324.509 3.306 10 0 DGAELO C[C@@H]1C[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)CC[N@@H+]1C ZINC000191398644 662064209 /nfs/dbraw/zinc/06/42/09/662064209.db2.gz XPZDDUCEIIRFMZ-MNOVXSKESA-N 1 2 300.805 3.099 10 0 DGAELO C[C@@H]1C[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)CC[N@H+]1C ZINC000191398644 662064211 /nfs/dbraw/zinc/06/42/11/662064211.db2.gz XPZDDUCEIIRFMZ-MNOVXSKESA-N 1 2 300.805 3.099 10 0 DGAELO O[C@H](C[N@H+](Cc1cocn1)Cc1ccccc1)c1cccs1 ZINC000191948994 662084448 /nfs/dbraw/zinc/08/44/48/662084448.db2.gz RHSPAVTZUJBCEY-MRXNPFEDSA-N 1 2 314.410 3.472 10 0 DGAELO O[C@H](C[N@@H+](Cc1cocn1)Cc1ccccc1)c1cccs1 ZINC000191948994 662084449 /nfs/dbraw/zinc/08/44/49/662084449.db2.gz RHSPAVTZUJBCEY-MRXNPFEDSA-N 1 2 314.410 3.472 10 0 DGAELO Cc1cccc(CCCOCCOC(=O)Cc2ccsc2)[nH+]1 ZINC000192834320 662112367 /nfs/dbraw/zinc/11/23/67/662112367.db2.gz YSJSHJXPBXKPNE-UHFFFAOYSA-N 1 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c1csc(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)n1 ZINC000358913260 286185819 /nfs/dbraw/zinc/18/58/19/286185819.db2.gz GZGJURULGONYQK-OAHLLOKOSA-N 1 2 310.426 3.496 10 0 DGAELO CC(C)([NH2+]Cc1ncccn1)c1ccc(Br)cc1 ZINC000361827825 286731459 /nfs/dbraw/zinc/73/14/59/286731459.db2.gz IZDNJZYFHPDSEU-UHFFFAOYSA-N 1 2 306.207 3.264 10 0 DGAELO CC[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177549395 164809518 /nfs/dbraw/zinc/80/95/18/164809518.db2.gz IRACVSRKOIGBIM-BZUAXINKSA-N 1 2 304.438 3.026 10 0 DGAELO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177793231 164815435 /nfs/dbraw/zinc/81/54/35/164815435.db2.gz VFYKIRGKXHCDGO-OLZOCXBDSA-N 1 2 323.506 3.147 10 0 DGAELO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177793231 164815437 /nfs/dbraw/zinc/81/54/37/164815437.db2.gz VFYKIRGKXHCDGO-OLZOCXBDSA-N 1 2 323.506 3.147 10 0 DGAELO CCC[C@H]1CCCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000185369421 165001893 /nfs/dbraw/zinc/00/18/93/165001893.db2.gz 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ZINC000186591612 165052580 /nfs/dbraw/zinc/05/25/80/165052580.db2.gz NNDOWLODWPUIMX-UHFFFAOYSA-N 1 2 311.429 3.386 10 0 DGAELO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)c(C)n1 ZINC000186591612 165052581 /nfs/dbraw/zinc/05/25/81/165052581.db2.gz NNDOWLODWPUIMX-UHFFFAOYSA-N 1 2 311.429 3.386 10 0 DGAELO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1F ZINC000186682458 165055198 /nfs/dbraw/zinc/05/51/98/165055198.db2.gz SJQLRFOIBJFCTL-DOTOQJQBSA-N 1 2 309.356 3.181 10 0 DGAELO O=C(CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1F ZINC000186682458 165055201 /nfs/dbraw/zinc/05/52/01/165055201.db2.gz SJQLRFOIBJFCTL-DOTOQJQBSA-N 1 2 309.356 3.181 10 0 DGAELO Cc1ccc(C[S@@](=O)Cc2nc(CCC(C)C)no2)c(C)[nH+]1 ZINC000187148450 165078160 /nfs/dbraw/zinc/07/81/60/165078160.db2.gz RFXRUWLHUIDMJG-JOCHJYFZSA-N 1 2 321.446 3.119 10 0 DGAELO CO[C@H](C)c1nc(C[S@@](=O)Cc2ccc(C)[nH+]c2C)cs1 ZINC000187163101 165078577 /nfs/dbraw/zinc/07/85/77/165078577.db2.gz VASDIYKWJVIELV-GTJPDFRWSA-N 1 2 324.471 3.311 10 0 DGAELO 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CC(C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245734568 280196034 /nfs/dbraw/zinc/19/60/34/280196034.db2.gz ZPKRMHAKZRJCHF-UVBJJODRSA-N 1 2 310.388 3.118 10 0 DGAELO CN(C)c1[nH+]cccc1CNC(=O)C(C)(C)Cc1ccccc1 ZINC000117755791 431577722 /nfs/dbraw/zinc/57/77/22/431577722.db2.gz NLQISPJDJIWXDP-UHFFFAOYSA-N 1 2 311.429 3.033 10 0 DGAELO COc1cccc([C@H]2C[N@H+](Cc3cnc(C)s3)CCO2)c1 ZINC000119208226 431658422 /nfs/dbraw/zinc/65/84/22/431658422.db2.gz OUOPCBYWQOZIAT-MRXNPFEDSA-N 1 2 304.415 3.034 10 0 DGAELO COc1cccc([C@H]2C[N@@H+](Cc3cnc(C)s3)CCO2)c1 ZINC000119208226 431658428 /nfs/dbraw/zinc/65/84/28/431658428.db2.gz OUOPCBYWQOZIAT-MRXNPFEDSA-N 1 2 304.415 3.034 10 0 DGAELO Cc1cc(NCC(C)(C)C[C@@H](C)O)nc(-c2ccncc2)[nH+]1 ZINC000078339794 431660918 /nfs/dbraw/zinc/66/09/18/431660918.db2.gz NIWJJKGUGCMONB-CYBMUJFWSA-N 1 2 300.406 3.056 10 0 DGAELO CCCn1cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cn1 ZINC000119077947 431642503 /nfs/dbraw/zinc/64/25/03/431642503.db2.gz 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431750893 /nfs/dbraw/zinc/75/08/93/431750893.db2.gz DWRIIBJNRTVALU-ZIAGYGMSSA-N 1 2 307.438 3.363 10 0 DGAELO Cc1c[nH+]ccc1NC(=O)N(CCc1nccs1)C(C)C ZINC000121195206 431753453 /nfs/dbraw/zinc/75/34/53/431753453.db2.gz JFNZGRCSWSLVKT-UHFFFAOYSA-N 1 2 304.419 3.332 10 0 DGAELO Cc1ccc(-c2nc3ccccn3c2C[NH+]2CCOCC2)cc1 ZINC000031554923 431761357 /nfs/dbraw/zinc/76/13/57/431761357.db2.gz CFLVQXUYBNFVRG-UHFFFAOYSA-N 1 2 307.397 3.142 10 0 DGAELO CCn1cc[nH+]c1C[S@@](=O)Cc1ccc(F)cc1Cl ZINC000083033471 431806009 /nfs/dbraw/zinc/80/60/09/431806009.db2.gz QPYVFBSIVNMTJD-LJQANCHMSA-N 1 2 300.786 3.144 10 0 DGAELO CCn1cc[nH+]c1C[S@@](=O)Cc1csc(-c2ccoc2)n1 ZINC000083036026 431806403 /nfs/dbraw/zinc/80/64/03/431806403.db2.gz YEQJMTLIWPLHCA-OAQYLSRUSA-N 1 2 321.427 3.068 10 0 DGAELO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122165507 431816089 /nfs/dbraw/zinc/81/60/89/431816089.db2.gz XQHDRQHGYQHESW-INIZCTEOSA-N 1 2 319.836 3.054 10 0 DGAELO Cc1cc(Cl)cc(C)c1C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122165507 431816094 /nfs/dbraw/zinc/81/60/94/431816094.db2.gz XQHDRQHGYQHESW-INIZCTEOSA-N 1 2 319.836 3.054 10 0 DGAELO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1c(Cl)ccc(F)c1Cl ZINC000036794256 431841735 /nfs/dbraw/zinc/84/17/35/431841735.db2.gz OFSYCSYVZXQTDD-SFYZADRCSA-N 1 2 307.196 3.260 10 0 DGAELO COc1ccccc1NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086235737 431843719 /nfs/dbraw/zinc/84/37/19/431843719.db2.gz MGBJPFQYMYCVCY-CYBMUJFWSA-N 1 2 314.385 3.452 10 0 DGAELO COc1ccccc1NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086235737 431843720 /nfs/dbraw/zinc/84/37/20/431843720.db2.gz MGBJPFQYMYCVCY-CYBMUJFWSA-N 1 2 314.385 3.452 10 0 DGAELO CC(C)c1cc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000123167962 431857735 /nfs/dbraw/zinc/85/77/35/431857735.db2.gz YLBBWDGZQXXFLB-CYBMUJFWSA-N 1 2 324.384 3.475 10 0 DGAELO CC(C)c1csc(NC(=O)Cc2cn3ccccc3[nH+]2)n1 ZINC000041304234 431858646 /nfs/dbraw/zinc/85/86/46/431858646.db2.gz ZRPGGTLTNOTXDP-UHFFFAOYSA-N 1 2 300.387 3.095 10 0 DGAELO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000125243450 431918438 /nfs/dbraw/zinc/91/84/38/431918438.db2.gz ZKNBBXXZPQJCGS-KBPBESRZSA-N 1 2 317.458 3.329 10 0 DGAELO Cc1ccc(Cn2c3ccccc3[nH+]c2N2CCC[C@@H](O)C2)cc1 ZINC000095090016 431922132 /nfs/dbraw/zinc/92/21/32/431922132.db2.gz UEHTZYHPUHBLQX-QGZVFWFLSA-N 1 2 321.424 3.354 10 0 DGAELO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123809521 431875389 /nfs/dbraw/zinc/87/53/89/431875389.db2.gz WSYSYJHGTNHHCJ-DFBGVHRSSA-N 1 2 311.809 3.053 10 0 DGAELO CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123809521 431875391 /nfs/dbraw/zinc/87/53/91/431875391.db2.gz WSYSYJHGTNHHCJ-DFBGVHRSSA-N 1 2 311.809 3.053 10 0 DGAELO CCn1cc[nH+]c1CNc1cccc(Cl)c1N1CCOCC1 ZINC000123883044 431877252 /nfs/dbraw/zinc/87/72/52/431877252.db2.gz FWCDHICDJRJWPB-UHFFFAOYSA-N 1 2 320.824 3.005 10 0 DGAELO Cc1ccc2[nH+]c(CN3CCO[C@@H](c4ccsc4)C3)cn2c1 ZINC000125448995 431925469 /nfs/dbraw/zinc/92/54/69/431925469.db2.gz 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ZINC000127734296 431978902 /nfs/dbraw/zinc/97/89/02/431978902.db2.gz QIVUPNURBLTJGS-IRXDYDNUSA-N 1 2 316.351 3.140 10 0 DGAELO C[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127734296 431978903 /nfs/dbraw/zinc/97/89/03/431978903.db2.gz QIVUPNURBLTJGS-IRXDYDNUSA-N 1 2 316.351 3.140 10 0 DGAELO CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127724977 431979500 /nfs/dbraw/zinc/97/95/00/431979500.db2.gz OUZWOKCNESXOJX-HUUCEWRRSA-N 1 2 310.388 3.262 10 0 DGAELO CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127724977 431979503 /nfs/dbraw/zinc/97/95/03/431979503.db2.gz OUZWOKCNESXOJX-HUUCEWRRSA-N 1 2 310.388 3.262 10 0 DGAELO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1F ZINC000125933736 431939143 /nfs/dbraw/zinc/93/91/43/431939143.db2.gz XDNJZQIOJQGSGI-MRXNPFEDSA-N 1 2 307.390 3.469 10 0 DGAELO COc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1F ZINC000125933736 431939146 /nfs/dbraw/zinc/93/91/46/431939146.db2.gz XDNJZQIOJQGSGI-MRXNPFEDSA-N 1 2 307.390 3.469 10 0 DGAELO Cc1cc(N2CC[C@@H](c3cnn(C)c3)C2)c2cccc(F)c2[nH+]1 ZINC000126441055 431950730 /nfs/dbraw/zinc/95/07/30/431950730.db2.gz XTPBLDJTODQNRC-CYBMUJFWSA-N 1 2 310.376 3.410 10 0 DGAELO Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000127970262 431984927 /nfs/dbraw/zinc/98/49/27/431984927.db2.gz ZJORKRKSWWBFFO-JKSUJKDBSA-N 1 2 324.428 3.029 10 0 DGAELO Cc1ccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000101654881 431988179 /nfs/dbraw/zinc/98/81/79/431988179.db2.gz XKPMCUOQXKMTGK-UHFFFAOYSA-N 1 2 311.410 3.101 10 0 DGAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc(F)c1F ZINC000183280656 432278695 /nfs/dbraw/zinc/27/86/95/432278695.db2.gz PFSBZEHIWQRMRS-ZWNOBZJWSA-N 1 2 306.360 3.304 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCC[C@@H]1C ZINC000173459438 432280341 /nfs/dbraw/zinc/28/03/41/432280341.db2.gz BDBCXSKAQRYSOX-LSDHHAIUSA-N 1 2 306.454 3.165 10 0 DGAELO CCn1cc([C@H]2C[N@H+](Cc3ccc(SC)cc3)CCO2)cn1 ZINC000191699746 432291488 /nfs/dbraw/zinc/29/14/88/432291488.db2.gz 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O=C(CC[N@H+]1CCO[C@H]2CCCC[C@H]21)c1ccc(F)cc1F ZINC000248574281 432302806 /nfs/dbraw/zinc/30/28/06/432302806.db2.gz SJQLRFOIBJFCTL-WBVHZDCISA-N 1 2 309.356 3.181 10 0 DGAELO Cc1noc(C)c1C[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128747663 432000360 /nfs/dbraw/zinc/00/03/60/432000360.db2.gz FIABFFXMPTXKTL-KRWDZBQOSA-N 1 2 304.365 3.312 10 0 DGAELO Cc1noc(C)c1C[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128747663 432000362 /nfs/dbraw/zinc/00/03/62/432000362.db2.gz FIABFFXMPTXKTL-KRWDZBQOSA-N 1 2 304.365 3.312 10 0 DGAELO CC(C)c1nc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)no1 ZINC000183151679 432263225 /nfs/dbraw/zinc/26/32/25/432263225.db2.gz JLRJCHMEORQEGY-CYBMUJFWSA-N 1 2 311.389 3.230 10 0 DGAELO CCO[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C12CCOCC2 ZINC000184105909 432355198 /nfs/dbraw/zinc/35/51/98/432355198.db2.gz YBPBIJHCZLVXTR-CABCVRRESA-N 1 2 317.433 3.049 10 0 DGAELO CCc1nc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)cs1 ZINC000249707883 432355227 /nfs/dbraw/zinc/35/52/27/432355227.db2.gz 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Cn1nccc1CCC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000184510626 432399745 /nfs/dbraw/zinc/39/97/45/432399745.db2.gz XCPTWNFTPLFWEE-UHFFFAOYSA-N 1 2 323.400 3.135 10 0 DGAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000249869363 432359409 /nfs/dbraw/zinc/35/94/09/432359409.db2.gz JCYCYQVMMMLGFI-LSDHHAIUSA-N 1 2 319.380 3.203 10 0 DGAELO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000249869363 432359412 /nfs/dbraw/zinc/35/94/12/432359412.db2.gz JCYCYQVMMMLGFI-LSDHHAIUSA-N 1 2 319.380 3.203 10 0 DGAELO Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000174665134 432362979 /nfs/dbraw/zinc/36/29/79/432362979.db2.gz MHJONNZHDWKMAG-UONOGXRCSA-N 1 2 314.433 3.175 10 0 DGAELO CCc1onc(C)c1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175383990 432429998 /nfs/dbraw/zinc/42/99/98/432429998.db2.gz SEZXKNGVBKNHKE-GFCCVEGCSA-N 1 2 324.384 3.222 10 0 DGAELO CCC1CCC(NC(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000175438146 432436343 /nfs/dbraw/zinc/43/63/43/432436343.db2.gz 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/nfs/dbraw/zinc/45/77/43/432457743.db2.gz RGLNNAVBTFNBHH-DLBZAZTESA-N 1 2 315.461 3.370 10 0 DGAELO Cc1ccc(NC(=O)c2csc(C(F)(F)F)n2)c(C)[nH+]1 ZINC000193498470 432478477 /nfs/dbraw/zinc/47/84/77/432478477.db2.gz VDIMCARTLDPXPF-UHFFFAOYSA-N 1 2 301.293 3.426 10 0 DGAELO CC(C)C[C@H](C)C(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000185286568 432486162 /nfs/dbraw/zinc/48/61/62/432486162.db2.gz WYIOBUKNWKSFCL-KRWDZBQOSA-N 1 2 318.461 3.034 10 0 DGAELO CN(C)c1noc(C[N@H+](C)C2c3ccccc3-c3ccccc32)n1 ZINC000185276198 432486267 /nfs/dbraw/zinc/48/62/67/432486267.db2.gz PBVJQLVDMFKSIO-UHFFFAOYSA-N 1 2 320.396 3.337 10 0 DGAELO CN(C)c1noc(C[N@@H+](C)C2c3ccccc3-c3ccccc32)n1 ZINC000185276198 432486271 /nfs/dbraw/zinc/48/62/71/432486271.db2.gz PBVJQLVDMFKSIO-UHFFFAOYSA-N 1 2 320.396 3.337 10 0 DGAELO CC(C)C[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000185272218 432486278 /nfs/dbraw/zinc/48/62/78/432486278.db2.gz FNIFUQMFYCKYCN-CYBMUJFWSA-N 1 2 303.381 3.310 10 0 DGAELO CNc1[nH+]cnc2c1cnn2CCc1cc(Cl)cc(Cl)c1 ZINC000193702799 432491294 /nfs/dbraw/zinc/49/12/94/432491294.db2.gz DMHZGZDUZYFTOX-UHFFFAOYSA-N 1 2 322.199 3.418 10 0 DGAELO C=Cn1cc(C[N@@H+](Cc2cc(OC)ccc2OC)C2CC2)cn1 ZINC000193692057 432491329 /nfs/dbraw/zinc/49/13/29/432491329.db2.gz KAKVVALLWUCPPI-UHFFFAOYSA-N 1 2 313.401 3.165 10 0 DGAELO C=Cn1cc(C[N@H+](Cc2cc(OC)ccc2OC)C2CC2)cn1 ZINC000193692057 432491331 /nfs/dbraw/zinc/49/13/31/432491331.db2.gz KAKVVALLWUCPPI-UHFFFAOYSA-N 1 2 313.401 3.165 10 0 DGAELO O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)NCCC1CCCCC1 ZINC000193700741 432492082 /nfs/dbraw/zinc/49/20/82/432492082.db2.gz HXFDONRCVOSTEA-AWEZNQCLSA-N 1 2 320.399 3.347 10 0 DGAELO O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)NCCC1CCCCC1 ZINC000193700741 432492085 /nfs/dbraw/zinc/49/20/85/432492085.db2.gz HXFDONRCVOSTEA-AWEZNQCLSA-N 1 2 320.399 3.347 10 0 DGAELO Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)c2)cs1 ZINC000262693848 432498674 /nfs/dbraw/zinc/49/86/74/432498674.db2.gz AWIUXDAHHKUJPU-LBPRGKRZSA-N 1 2 323.368 3.054 10 0 DGAELO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccnn2)CC1 ZINC000154571325 432507348 /nfs/dbraw/zinc/50/73/48/432507348.db2.gz MJQLYJOINGSJAR-INIZCTEOSA-N 1 2 318.371 3.028 10 0 DGAELO CCC[C@H]([NH2+]Cc1cccc(COC)c1)C(=O)OC(C)(C)C ZINC000185068242 432462724 /nfs/dbraw/zinc/46/27/24/432462724.db2.gz FSXWNXFGUBDXBL-INIZCTEOSA-N 1 2 307.434 3.433 10 0 DGAELO CCn1c(C[NH2+][C@@H](CCO)c2ccco2)nc2cc(F)ccc21 ZINC000185068830 432463477 /nfs/dbraw/zinc/46/34/77/432463477.db2.gz VDBGDTGDYRZIMS-ZDUSSCGKSA-N 1 2 317.364 3.002 10 0 DGAELO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185138589 432470163 /nfs/dbraw/zinc/47/01/63/432470163.db2.gz UPMSMRGBQYNWMO-LSDHHAIUSA-N 1 2 313.401 3.193 10 0 DGAELO COc1cc(CNc2cc(C)[nH+]c(-c3cccnc3)n2)ccc1O ZINC000194554026 432559975 /nfs/dbraw/zinc/55/99/75/432559975.db2.gz LDWAQFYFRKBUJC-UHFFFAOYSA-N 1 2 322.368 3.173 10 0 DGAELO Cc1ccsc1C[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000185765765 432532462 /nfs/dbraw/zinc/53/24/62/432532462.db2.gz XVEDXKYLXPNRMC-UHFFFAOYSA-N 1 2 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ZINC000164224474 432045773 /nfs/dbraw/zinc/04/57/73/432045773.db2.gz LNBJNZQMUSSBEB-UHFFFAOYSA-N 1 2 316.368 3.037 10 0 DGAELO c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000164747954 432051007 /nfs/dbraw/zinc/05/10/07/432051007.db2.gz PZIZYXMIKIIVOS-LSDHHAIUSA-N 1 2 310.401 3.149 10 0 DGAELO CC(C)(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000179268963 432052618 /nfs/dbraw/zinc/05/26/18/432052618.db2.gz XVFXGNULHADVON-UHFFFAOYSA-N 1 2 312.417 3.100 10 0 DGAELO CC1(C)CCC[C@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000179300040 432053449 /nfs/dbraw/zinc/05/34/49/432053449.db2.gz RPQAOAACSUPPGP-HNNXBMFYSA-N 1 2 315.461 3.383 10 0 DGAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nc4ccccc4s3)[C@@H]2C1 ZINC000179494030 432060361 /nfs/dbraw/zinc/06/03/61/432060361.db2.gz CEGQBILLNBSDKI-BPLDGKMQSA-N 1 2 318.442 3.065 10 0 DGAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nc4ccccc4s3)[C@@H]2C1 ZINC000179494030 432060362 /nfs/dbraw/zinc/06/03/62/432060362.db2.gz CEGQBILLNBSDKI-BPLDGKMQSA-N 1 2 318.442 3.065 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Cc1cc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)cc[nH+]1 ZINC000073898048 431385491 /nfs/dbraw/zinc/38/54/91/431385491.db2.gz BHSLPPYKTXWZTR-BZNIZROVSA-N 1 2 309.369 3.237 10 0 DGAELO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCCO1 ZINC000011596089 431478519 /nfs/dbraw/zinc/47/85/19/431478519.db2.gz HYHOZNXAFXOGQO-JTQLQIEISA-N 1 2 317.216 3.043 10 0 DGAELO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCCO1 ZINC000011596089 431478525 /nfs/dbraw/zinc/47/85/25/431478525.db2.gz HYHOZNXAFXOGQO-JTQLQIEISA-N 1 2 317.216 3.043 10 0 DGAELO CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116294432 431499999 /nfs/dbraw/zinc/49/99/99/431499999.db2.gz RJUPFUOSSPDIGW-OAHLLOKOSA-N 1 2 314.385 3.454 10 0 DGAELO CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116294432 431500004 /nfs/dbraw/zinc/50/00/04/431500004.db2.gz RJUPFUOSSPDIGW-OAHLLOKOSA-N 1 2 314.385 3.454 10 0 DGAELO O=C(C[N@@H+]1CCC[C@H]1c1ccco1)Nc1ccc(F)cc1F ZINC000116296959 431503134 /nfs/dbraw/zinc/50/31/34/431503134.db2.gz 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Cc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)cc(C)c1F ZINC000122706698 431842764 /nfs/dbraw/zinc/84/27/64/431842764.db2.gz PIZRGJNQLOSFTK-UHFFFAOYSA-N 1 2 303.381 3.225 10 0 DGAELO C[C@@H]1CCN(C(=O)c2cccc3ncccc32)C[C@@H]1n1cc[nH+]c1 ZINC000122853587 431846317 /nfs/dbraw/zinc/84/63/17/431846317.db2.gz JABNVXIHZHMXJZ-KDOFPFPSSA-N 1 2 320.396 3.155 10 0 DGAELO Cc1c[nH+]ccc1NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000087322231 431853833 /nfs/dbraw/zinc/85/38/33/431853833.db2.gz FWFRKDKSGWQPKN-UHFFFAOYSA-N 1 2 304.296 3.270 10 0 DGAELO CCNC(=S)Nc1ccc(CCc2cn3ccccc3[nH+]2)cc1 ZINC000089200910 431861306 /nfs/dbraw/zinc/86/13/06/431861306.db2.gz JGXATIQAAVGQCE-UHFFFAOYSA-N 1 2 324.453 3.426 10 0 DGAELO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1ccccc1 ZINC000036126011 431837553 /nfs/dbraw/zinc/83/75/53/431837553.db2.gz WBRPTIYFTQUFKK-UHFFFAOYSA-N 1 2 307.397 3.094 10 0 DGAELO CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)Nc2cc(C)on2)o1 ZINC000124914723 431908257 /nfs/dbraw/zinc/90/82/57/431908257.db2.gz UANWNEWAQGGMAF-AWEZNQCLSA-N 1 2 317.389 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C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cc(F)ccc1F ZINC000173625427 432291380 /nfs/dbraw/zinc/29/13/80/432291380.db2.gz CKEYNNYXWXAIQN-MNOVXSKESA-N 1 2 306.360 3.304 10 0 DGAELO COC[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000248455304 432294385 /nfs/dbraw/zinc/29/43/85/432294385.db2.gz RLAHFJXYIBFIQF-SMDDNHRTSA-N 1 2 303.324 3.114 10 0 DGAELO COC[C@H](C)[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000248455304 432294387 /nfs/dbraw/zinc/29/43/87/432294387.db2.gz RLAHFJXYIBFIQF-SMDDNHRTSA-N 1 2 303.324 3.114 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ncc(C(C)C)s3)[C@@H]2C1 ZINC000248500853 432296319 /nfs/dbraw/zinc/29/63/19/432296319.db2.gz SWLYDTZVKZAXSL-MCIONIFRSA-N 1 2 310.463 3.035 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ncc(C(C)C)s3)[C@@H]2C1 ZINC000248500853 432296323 /nfs/dbraw/zinc/29/63/23/432296323.db2.gz SWLYDTZVKZAXSL-MCIONIFRSA-N 1 2 310.463 3.035 10 0 DGAELO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21)c1ccc(F)cc1F ZINC000248574279 432302685 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C[C@H](C(=O)OCCCC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000157450248 659062548 /nfs/dbraw/zinc/06/25/48/659062548.db2.gz VORKGRWYSUJMSP-GFCCVEGCSA-N 1 2 315.335 3.319 10 0 DGAELO Cc1cc(C)c2c(n1)sn(C[N@H+](C1CC1)C1CCCC1)c2=O ZINC000173305440 659379554 /nfs/dbraw/zinc/37/95/54/659379554.db2.gz FTXCQZJLKQDVBW-UHFFFAOYSA-N 1 2 317.458 3.439 10 0 DGAELO Cc1cc(C)c2c(n1)sn(C[N@@H+](C1CC1)C1CCCC1)c2=O ZINC000173305440 659379558 /nfs/dbraw/zinc/37/95/58/659379558.db2.gz FTXCQZJLKQDVBW-UHFFFAOYSA-N 1 2 317.458 3.439 10 0 DGAELO Brc1ccc2c(c1)[C@@H]([NH2+]Cc1ccno1)CCO2 ZINC000231885410 659404673 /nfs/dbraw/zinc/40/46/73/659404673.db2.gz JETUVHVZEQYDGD-LBPRGKRZSA-N 1 2 309.163 3.051 10 0 DGAELO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCN1CC(F)F ZINC000180543540 659965186 /nfs/dbraw/zinc/96/51/86/659965186.db2.gz FRHWYBIHSPUTAY-GFCCVEGCSA-N 1 2 318.795 3.207 10 0 DGAELO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCN1CC(F)F ZINC000180543540 659965188 /nfs/dbraw/zinc/96/51/88/659965188.db2.gz FRHWYBIHSPUTAY-GFCCVEGCSA-N 1 2 318.795 3.207 10 0 DGAELO CCCCC[C@H](CC)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000180635774 659967150 /nfs/dbraw/zinc/96/71/50/659967150.db2.gz SVLNYHHBXNOJRH-ZWKOTPCHSA-N 1 2 324.509 3.306 10 0 DGAELO O=C(OCCOC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181077406 659979091 /nfs/dbraw/zinc/97/90/91/659979091.db2.gz KKHIERMWPKWUIF-UHFFFAOYSA-N 1 2 314.385 3.378 10 0 DGAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000187755623 661903123 /nfs/dbraw/zinc/90/31/23/661903123.db2.gz GMLJTVRFCOOCOQ-LNSITVRQSA-N 1 2 322.453 3.157 10 0 DGAELO CC1(C)CN(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)C(=O)O1 ZINC000189811669 661992174 /nfs/dbraw/zinc/99/21/74/661992174.db2.gz ORJPUFPLOBZSFA-JTQLQIEISA-N 1 2 308.344 3.085 10 0 DGAELO CC1(C)CN(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)C(=O)O1 ZINC000189811669 661992176 /nfs/dbraw/zinc/99/21/76/661992176.db2.gz ORJPUFPLOBZSFA-JTQLQIEISA-N 1 2 308.344 3.085 10 0 DGAELO C[C@@H]1CC[N@H+](Cn2ncn(C)c2=S)[C@@H]1c1cccc(F)c1 ZINC000083113420 662193631 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/nfs/dbraw/zinc/13/20/96/432132096.db2.gz QAVWNVHHGWMEPL-ZJUUUORDSA-N 1 2 321.343 3.187 10 0 DGAELO CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000494944034 246214947 /nfs/dbraw/zinc/21/49/47/246214947.db2.gz AHTOWZHOUUFJGG-AWEZNQCLSA-N 1 2 324.852 3.229 10 0 DGAELO CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000494944034 246214949 /nfs/dbraw/zinc/21/49/49/246214949.db2.gz AHTOWZHOUUFJGG-AWEZNQCLSA-N 1 2 324.852 3.229 10 0 DGAELO CCOC(=O)C[N@H+](Cc1scnc1C1CC1)C1CCCC1 ZINC000494980224 246219707 /nfs/dbraw/zinc/21/97/07/246219707.db2.gz PFRBAVMBBGESQQ-UHFFFAOYSA-N 1 2 308.447 3.328 10 0 DGAELO CCOC(=O)C[N@@H+](Cc1scnc1C1CC1)C1CCCC1 ZINC000494980224 246219711 /nfs/dbraw/zinc/21/97/11/246219711.db2.gz PFRBAVMBBGESQQ-UHFFFAOYSA-N 1 2 308.447 3.328 10 0 DGAELO CCOC(=O)[C@@H]([NH2+]CC(C)C)c1cccc(Br)c1 ZINC000037966273 182943943 /nfs/dbraw/zinc/94/39/43/182943943.db2.gz FCDBXMZUYFDOBO-ZDUSSCGKSA-N 1 2 314.223 3.299 10 0 DGAELO Cn1c(CCCCCNC(=O)C(C)(C)C)[nH+]c2ccccc21 ZINC000040211881 183045289 /nfs/dbraw/zinc/04/52/89/183045289.db2.gz JFTJGVRAGWQTNU-UHFFFAOYSA-N 1 2 301.434 3.448 10 0 DGAELO CC[NH+](CC)CCCn1c2ccc(C(=O)[O-])cc2[nH+]c1C1CC1 ZINC000040403672 183061582 /nfs/dbraw/zinc/06/15/82/183061582.db2.gz HZIJFCDBUOXJTA-UHFFFAOYSA-N 1 2 315.417 3.344 10 0 DGAELO Cc1c(Cl)cccc1Nc1[nH+]cnc(N2CCCC2)c1N ZINC000040701497 183120022 /nfs/dbraw/zinc/12/00/22/183120022.db2.gz HYWOUFXKZMLDTD-UHFFFAOYSA-N 1 2 303.797 3.364 10 0 DGAELO Cc1c(Cl)cccc1Nc1nc[nH+]c(N2CCCC2)c1N ZINC000040701497 183120025 /nfs/dbraw/zinc/12/00/25/183120025.db2.gz HYWOUFXKZMLDTD-UHFFFAOYSA-N 1 2 303.797 3.364 10 0 DGAELO Nc1c(Br)c[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000041702295 183217589 /nfs/dbraw/zinc/21/75/89/183217589.db2.gz GQQANKBAOPDOBC-UHFFFAOYSA-N 1 2 307.069 3.478 10 0 DGAELO CN(Cc1cc(Br)cs1)c1ccc(CO)c[nH+]1 ZINC000042400215 183264506 /nfs/dbraw/zinc/26/45/06/183264506.db2.gz BWHJVKBURHQPAJ-UHFFFAOYSA-N 1 2 313.220 3.034 10 0 DGAELO c1ncn([C@@H]2CCC[N@@H+](Cc3csc(C4CCCC4)n3)C2)n1 ZINC000105899220 194164914 /nfs/dbraw/zinc/16/49/14/194164914.db2.gz OSFHZZZVKWTPNW-OAHLLOKOSA-N 1 2 317.462 3.229 10 0 DGAELO c1ncn([C@@H]2CCC[N@H+](Cc3csc(C4CCCC4)n3)C2)n1 ZINC000105899220 194164916 /nfs/dbraw/zinc/16/49/16/194164916.db2.gz OSFHZZZVKWTPNW-OAHLLOKOSA-N 1 2 317.462 3.229 10 0 DGAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccccc3Cl)CCO2)n1 ZINC000106204027 194188938 /nfs/dbraw/zinc/18/89/38/194188938.db2.gz SYKPYTOLJBNDLA-MRXNPFEDSA-N 1 2 319.836 3.054 10 0 DGAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccccc3Cl)CCO2)n1 ZINC000106204027 194188940 /nfs/dbraw/zinc/18/89/40/194188940.db2.gz SYKPYTOLJBNDLA-MRXNPFEDSA-N 1 2 319.836 3.054 10 0 DGAELO COC(=O)C1([NH2+]Cc2cc(F)cc3cccnc32)CCCCC1 ZINC000109800366 194287023 /nfs/dbraw/zinc/28/70/23/194287023.db2.gz YCDPSFGWAGGRKH-UHFFFAOYSA-N 1 2 316.376 3.339 10 0 DGAELO Cc1cc(NCC[C@@H]2c3ccccc3NC2=O)nc(C2CC2)[nH+]1 ZINC000116259860 194730033 /nfs/dbraw/zinc/73/00/33/194730033.db2.gz VPOBJUDARMGVQO-CQSZACIVSA-N 1 2 308.385 3.200 10 0 DGAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000248623965 285011423 /nfs/dbraw/zinc/01/14/23/285011423.db2.gz CANRQTJJVDEBCL-CZUORRHYSA-N 1 2 324.852 3.018 10 0 DGAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000248623965 285011432 /nfs/dbraw/zinc/01/14/32/285011432.db2.gz CANRQTJJVDEBCL-CZUORRHYSA-N 1 2 324.852 3.018 10 0 DGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000248841996 285030152 /nfs/dbraw/zinc/03/01/52/285030152.db2.gz OEIFLENEKJSKPT-XBFCOCLRSA-N 1 2 322.474 3.214 10 0 DGAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000248841996 285030156 /nfs/dbraw/zinc/03/01/56/285030156.db2.gz OEIFLENEKJSKPT-XBFCOCLRSA-N 1 2 322.474 3.214 10 0 DGAELO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)[C@H]1C ZINC000249516610 285078144 /nfs/dbraw/zinc/07/81/44/285078144.db2.gz FQVILBLWRJQFQN-RFGFWPKPSA-N 1 2 320.399 3.202 10 0 DGAELO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)[C@H]1C ZINC000249516610 285078146 /nfs/dbraw/zinc/07/81/46/285078146.db2.gz FQVILBLWRJQFQN-RFGFWPKPSA-N 1 2 320.399 3.202 10 0 DGAELO Cc1ccc(/C=C\CC(=O)NCc2ccc[nH+]c2N(C)C)cc1 ZINC000255095525 285129225 /nfs/dbraw/zinc/12/92/25/285129225.db2.gz JURVOHNONDPYSQ-XQRVVYSFSA-N 1 2 309.413 3.176 10 0 DGAELO c1ccc([C@@H]2CN(c3cc[nH+]c(C4CC4)n3)[C@H]3CCOC[C@H]23)cc1 ZINC000286487435 219015486 /nfs/dbraw/zinc/01/54/86/219015486.db2.gz XCKBFAQAORLGFX-KSZLIROESA-N 1 2 321.424 3.363 10 0 DGAELO CO[C@@H](C)c1nc(C[N@H+](C)CCc2ncc(C)s2)cs1 ZINC000157736723 197211887 /nfs/dbraw/zinc/21/18/87/197211887.db2.gz JVVIGZXJWAHOFO-NSHDSACASA-N 1 2 311.476 3.290 10 0 DGAELO CO[C@@H](C)c1nc(C[N@@H+](C)CCc2ncc(C)s2)cs1 ZINC000157736723 197211888 /nfs/dbraw/zinc/21/18/88/197211888.db2.gz JVVIGZXJWAHOFO-NSHDSACASA-N 1 2 311.476 3.290 10 0 DGAELO c1cc2cccc(C[NH2+][C@@H](c3nnc[nH]3)c3ccccc3)c2[nH]1 ZINC000343920907 254202887 /nfs/dbraw/zinc/20/28/87/254202887.db2.gz DDQFXWMZZZPWGT-QGZVFWFLSA-N 1 2 303.369 3.165 10 0 DGAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000155424126 197054507 /nfs/dbraw/zinc/05/45/07/197054507.db2.gz KYQIDRUBNIITGO-IAGOWNOFSA-N 1 2 324.428 3.100 10 0 DGAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000155424357 197054213 /nfs/dbraw/zinc/05/42/13/197054213.db2.gz KYQIDRUBNIITGO-DLBZAZTESA-N 1 2 324.428 3.100 10 0 DGAELO CCc1cccc2c(CC(=O)N(C)CCCn3cc[nH+]c3)c[nH]c21 ZINC000155005859 197011987 /nfs/dbraw/zinc/01/19/87/197011987.db2.gz ALIIYOJDAODHRD-UHFFFAOYSA-N 1 2 324.428 3.018 10 0 DGAELO C[N@H+](CC(=O)NC(C)(C)C)Cc1cnc(-c2cccs2)s1 ZINC000120683593 195215203 /nfs/dbraw/zinc/21/52/03/195215203.db2.gz CXPXVGYDEQQSRT-UHFFFAOYSA-N 1 2 323.487 3.218 10 0 DGAELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cnc(-c2cccs2)s1 ZINC000120683593 195215205 /nfs/dbraw/zinc/21/52/05/195215205.db2.gz CXPXVGYDEQQSRT-UHFFFAOYSA-N 1 2 323.487 3.218 10 0 DGAELO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000120860315 195252577 /nfs/dbraw/zinc/25/25/77/195252577.db2.gz 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ZINC000245727225 292077618 /nfs/dbraw/zinc/07/76/18/292077618.db2.gz XQDKGDZLZJFPOU-HOCLYGCPSA-N 1 2 320.339 3.041 10 0 DGAELO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(F)ccc2F)o1 ZINC000070785949 292097571 /nfs/dbraw/zinc/09/75/71/292097571.db2.gz HTANKGKHFPGCMO-NSHDSACASA-N 1 2 308.328 3.325 10 0 DGAELO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(F)ccc2F)o1 ZINC000070785949 292097573 /nfs/dbraw/zinc/09/75/73/292097573.db2.gz HTANKGKHFPGCMO-NSHDSACASA-N 1 2 308.328 3.325 10 0 DGAELO Cc1ccc2[nH]c(C[NH2+]Cc3nn(C)c4ccccc34)nc2c1 ZINC000608579569 400086510 /nfs/dbraw/zinc/08/65/10/400086510.db2.gz XREDMYFTTZHNNF-UHFFFAOYSA-N 1 2 305.385 3.048 10 0 DGAELO Cc1ccc2nc(C[NH2+]Cc3nn(C)c4ccccc34)[nH]c2c1 ZINC000608579569 400086516 /nfs/dbraw/zinc/08/65/16/400086516.db2.gz XREDMYFTTZHNNF-UHFFFAOYSA-N 1 2 305.385 3.048 10 0 DGAELO C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000608706369 400108166 /nfs/dbraw/zinc/10/81/66/400108166.db2.gz QVNBKBVWWVOCGV-LPHOPBHVSA-N 1 2 324.428 3.029 10 0 DGAELO CCOC(=O)c1c[nH+]c2c(N)cccc2c1NCc1ccccn1 ZINC000003819353 400083391 /nfs/dbraw/zinc/08/33/91/400083391.db2.gz NCQOEYUYSLUXFH-UHFFFAOYSA-N 1 2 322.368 3.001 10 0 DGAELO CSc1ccc(C[NH2+]Cc2n[nH]cc2Br)s1 ZINC000309847484 400132428 /nfs/dbraw/zinc/13/24/28/400132428.db2.gz HIACHUPGHKBOIJ-UHFFFAOYSA-N 1 2 318.265 3.245 10 0 DGAELO CCCC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000608991290 400135355 /nfs/dbraw/zinc/13/53/55/400135355.db2.gz POMTXNGJQUECLM-OIISXLGYSA-N 1 2 305.418 3.180 10 0 DGAELO CCCC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000608991290 400135362 /nfs/dbraw/zinc/13/53/62/400135362.db2.gz POMTXNGJQUECLM-OIISXLGYSA-N 1 2 305.418 3.180 10 0 DGAELO Cc1ccc(C[N@H+](C)CC(=O)NCCc2ccc(Cl)cc2)o1 ZINC000015296566 400163506 /nfs/dbraw/zinc/16/35/06/400163506.db2.gz CRRRAPAEYGRHSL-UHFFFAOYSA-N 1 2 320.820 3.032 10 0 DGAELO Cc1ccc(C[N@@H+](C)CC(=O)NCCc2ccc(Cl)cc2)o1 ZINC000015296566 400163510 /nfs/dbraw/zinc/16/35/10/400163510.db2.gz CRRRAPAEYGRHSL-UHFFFAOYSA-N 1 2 320.820 3.032 10 0 DGAELO CC(C)(C)NC(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000015299464 400164883 /nfs/dbraw/zinc/16/48/83/400164883.db2.gz ADRJBOMEJAHLNW-UHFFFAOYSA-N 1 2 306.431 3.258 10 0 DGAELO CC(C)(C)NC(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000015299464 400164886 /nfs/dbraw/zinc/16/48/86/400164886.db2.gz ADRJBOMEJAHLNW-UHFFFAOYSA-N 1 2 306.431 3.258 10 0 DGAELO CCSCC[C@H](C)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610326279 400242354 /nfs/dbraw/zinc/24/23/54/400242354.db2.gz ILFQGFNIPCGECI-LBPRGKRZSA-N 1 2 306.435 3.330 10 0 DGAELO CC(C)N1CC[NH2+][C@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616632668 400189741 /nfs/dbraw/zinc/18/97/41/400189741.db2.gz NXUQXLVPEDZIDJ-INIZCTEOSA-N 1 2 319.449 3.388 10 0 DGAELO CC(C)(C)OC(=O)N1c2ccccc2NC[C@@H]1c1[nH]cc[nH+]1 ZINC000616691840 400206487 /nfs/dbraw/zinc/20/64/87/400206487.db2.gz PMDAZHABOPAUEY-CYBMUJFWSA-N 1 2 300.362 3.318 10 0 DGAELO CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000610026641 400208718 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/nfs/dbraw/zinc/47/20/48/294472048.db2.gz GZQKNUIEXKXWNT-DOMZBBRYSA-N 1 2 311.809 3.039 10 0 DGAELO COC(=O)[C@@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)C1CC1 ZINC000513431926 294472844 /nfs/dbraw/zinc/47/28/44/294472844.db2.gz MDEBILAWCNGDCR-AWEZNQCLSA-N 1 2 311.784 3.052 10 0 DGAELO CCOC(=O)[C@@H](C)[N@H+](C/C=C\c1ccccc1OC)C1CC1 ZINC000347434558 434266793 /nfs/dbraw/zinc/26/67/93/434266793.db2.gz SQWJJPIJBCQUGU-IUCKJTJTSA-N 1 2 303.402 3.124 10 0 DGAELO CCOC(=O)[C@@H](C)[N@@H+](C/C=C\c1ccccc1OC)C1CC1 ZINC000347434558 434266798 /nfs/dbraw/zinc/26/67/98/434266798.db2.gz SQWJJPIJBCQUGU-IUCKJTJTSA-N 1 2 303.402 3.124 10 0 DGAELO CCC1(CC)C[N@H+](C/C=C\c2ccccc2OC)CC[S@]1=O ZINC000347749306 434272593 /nfs/dbraw/zinc/27/25/93/434272593.db2.gz AXKULNIHRSHLHT-XGEAVTJYSA-N 1 2 321.486 3.332 10 0 DGAELO CCC1(CC)C[N@@H+](C/C=C\c2ccccc2OC)CC[S@]1=O ZINC000347749306 434272599 /nfs/dbraw/zinc/27/25/99/434272599.db2.gz AXKULNIHRSHLHT-XGEAVTJYSA-N 1 2 321.486 3.332 10 0 DGAELO c1[nH+]cn(Cc2ccccc2)c1COc1ccc2c(c1)OCO2 ZINC000437598770 434301858 /nfs/dbraw/zinc/30/18/58/434301858.db2.gz AHOLWBFTXJXIOF-UHFFFAOYSA-N 1 2 308.337 3.239 10 0 DGAELO Fc1cccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1F ZINC000389915827 434351691 /nfs/dbraw/zinc/35/16/91/434351691.db2.gz MUTZYUHIPPYIHT-UHFFFAOYSA-N 1 2 313.351 3.499 10 0 DGAELO CCO[C@@H]1C[C@@]([NH2+]CCC2=CCCCC2)(C(=O)OC)C1(C)C ZINC000450817429 434424382 /nfs/dbraw/zinc/42/43/82/434424382.db2.gz FBHMCDMQXXDXIW-CRAIPNDOSA-N 1 2 309.450 3.213 10 0 DGAELO CCO[C@H]1C[C@@]([NH2+]CCC2=CCCCC2)(C(=O)OC)C1(C)C ZINC000450817430 434424818 /nfs/dbraw/zinc/42/48/18/434424818.db2.gz FBHMCDMQXXDXIW-MAUKXSAKSA-N 1 2 309.450 3.213 10 0 DGAELO C[C@@H]1CCCC[C@H]1OCc1noc([C@H]2CCC[N@@H+]2C2CC2)n1 ZINC000329589300 434436128 /nfs/dbraw/zinc/43/61/28/434436128.db2.gz YASPGLOYTMWAED-BPLDGKMQSA-N 1 2 305.422 3.464 10 0 DGAELO C[C@@H]1CCCC[C@H]1OCc1noc([C@H]2CCC[N@H+]2C2CC2)n1 ZINC000329589300 434436138 /nfs/dbraw/zinc/43/61/38/434436138.db2.gz YASPGLOYTMWAED-BPLDGKMQSA-N 1 2 305.422 3.464 10 0 DGAELO CC[N@H+](Cc1cccc(O)c1Br)[C@@H]1CCCOC1 ZINC000402776609 434502646 /nfs/dbraw/zinc/50/26/46/434502646.db2.gz VZSNWGMEWJDGLC-GFCCVEGCSA-N 1 2 314.223 3.156 10 0 DGAELO CC[N@@H+](Cc1cccc(O)c1Br)[C@@H]1CCCOC1 ZINC000402776609 434502653 /nfs/dbraw/zinc/50/26/53/434502653.db2.gz VZSNWGMEWJDGLC-GFCCVEGCSA-N 1 2 314.223 3.156 10 0 DGAELO C[N@@H+]1CCN(C(=O)c2ccoc2C2CC2)[C@H](c2ccccc2)C1 ZINC000366817639 434517649 /nfs/dbraw/zinc/51/76/49/434517649.db2.gz HJVSBJCMNHJSJP-KRWDZBQOSA-N 1 2 310.397 3.286 10 0 DGAELO C[N@H+]1CCN(C(=O)c2ccoc2C2CC2)[C@H](c2ccccc2)C1 ZINC000366817639 434517655 /nfs/dbraw/zinc/51/76/55/434517655.db2.gz HJVSBJCMNHJSJP-KRWDZBQOSA-N 1 2 310.397 3.286 10 0 DGAELO C[C@@]1(F)CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000360114796 434521235 /nfs/dbraw/zinc/52/12/35/434521235.db2.gz IWOOTNHQVRWFKW-CYBMUJFWSA-N 1 2 312.186 3.259 10 0 DGAELO C[C@@]1(F)CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000360114796 434521242 /nfs/dbraw/zinc/52/12/42/434521242.db2.gz IWOOTNHQVRWFKW-CYBMUJFWSA-N 1 2 312.186 3.259 10 0 DGAELO Cc1cnc(C[NH2+][C@H](C)c2ccccc2Br)nc1 ZINC000341073090 434531073 /nfs/dbraw/zinc/53/10/73/434531073.db2.gz NQLOPWOQKPRRQY-LLVKDONJSA-N 1 2 306.207 3.398 10 0 DGAELO Cc1occc1C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000408039847 434538490 /nfs/dbraw/zinc/53/84/90/434538490.db2.gz ZILKJNXUWHYMOZ-INIZCTEOSA-N 1 2 313.401 3.178 10 0 DGAELO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC2(CCCC2)CC1 ZINC000408201169 434552694 /nfs/dbraw/zinc/55/26/94/434552694.db2.gz DENHKLBVZOPHSG-UHFFFAOYSA-N 1 2 316.449 3.085 10 0 DGAELO CCC1(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CCC1 ZINC000526021459 295051654 /nfs/dbraw/zinc/05/16/54/295051654.db2.gz YSYWPOKQUIMOOS-CYBMUJFWSA-N 1 2 303.450 3.335 10 0 DGAELO CCC1(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CCC1 ZINC000526021459 295051656 /nfs/dbraw/zinc/05/16/56/295051656.db2.gz YSYWPOKQUIMOOS-CYBMUJFWSA-N 1 2 303.450 3.335 10 0 DGAELO c1nn(-c2ccccc2)nc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527771483 295127789 /nfs/dbraw/zinc/12/77/89/295127789.db2.gz JFNRUBAGKGFRLI-LJQANCHMSA-N 1 2 319.412 3.293 10 0 DGAELO c1nn(-c2ccccc2)nc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527771482 295127811 /nfs/dbraw/zinc/12/78/11/295127811.db2.gz JFNRUBAGKGFRLI-IBGZPJMESA-N 1 2 319.412 3.293 10 0 DGAELO Cc1cc(C)c(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(C)[nH+]1 ZINC000408469982 434579497 /nfs/dbraw/zinc/57/94/97/434579497.db2.gz TXQDQOHMSJFGGT-CRAIPNDOSA-N 1 2 317.433 3.166 10 0 DGAELO c1ccc2c(c1)C[N@@H+](Cc1nnc3n1CCCCC3)CC21CC1 ZINC000360728283 434678071 /nfs/dbraw/zinc/67/80/71/434678071.db2.gz ZCHZADLQPDZUCM-UHFFFAOYSA-N 1 2 308.429 3.052 10 0 DGAELO c1ccc2c(c1)C[N@H+](Cc1nnc3n1CCCCC3)CC21CC1 ZINC000360728283 434678078 /nfs/dbraw/zinc/67/80/78/434678078.db2.gz ZCHZADLQPDZUCM-UHFFFAOYSA-N 1 2 308.429 3.052 10 0 DGAELO CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371457119 434707231 /nfs/dbraw/zinc/70/72/31/434707231.db2.gz NQGFJDONHSMMOE-DPQIITEBSA-N 1 2 315.804 3.140 10 0 DGAELO CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371457119 434707238 /nfs/dbraw/zinc/70/72/38/434707238.db2.gz NQGFJDONHSMMOE-DPQIITEBSA-N 1 2 315.804 3.140 10 0 DGAELO CCc1[nH+]c2ccccc2n1Cc1noc(-c2cccc(O)c2)n1 ZINC000445384303 434796484 /nfs/dbraw/zinc/79/64/84/434796484.db2.gz HSBTUJICTWGTBF-UHFFFAOYSA-N 1 2 320.352 3.403 10 0 DGAELO Clc1ccc2c(cc3n2CC[N@H+](CC2=CCCOC2)C3)c1 ZINC000372814902 434856231 /nfs/dbraw/zinc/85/62/31/434856231.db2.gz LUVQTKYLJRLJTA-UHFFFAOYSA-N 1 2 302.805 3.457 10 0 DGAELO Clc1ccc2c(cc3n2CC[N@@H+](CC2=CCCOC2)C3)c1 ZINC000372814902 434856235 /nfs/dbraw/zinc/85/62/35/434856235.db2.gz LUVQTKYLJRLJTA-UHFFFAOYSA-N 1 2 302.805 3.457 10 0 DGAELO CC[C@@H]1C[N@H+](Cc2nc(-c3ccc(C)cc3)no2)C[C@@H](C)O1 ZINC000558237530 435081661 /nfs/dbraw/zinc/08/16/61/435081661.db2.gz TXJZAXKKDFECKF-UKRRQHHQSA-N 1 2 301.390 3.044 10 0 DGAELO CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc(C)cc3)no2)C[C@@H](C)O1 ZINC000558237530 435081666 /nfs/dbraw/zinc/08/16/66/435081666.db2.gz TXJZAXKKDFECKF-UKRRQHHQSA-N 1 2 301.390 3.044 10 0 DGAELO COC(=O)C[C@@H]1CC[C@H]([NH2+]c2ccc(-n3cccn3)cc2)[C@H]1C ZINC000474466405 435147548 /nfs/dbraw/zinc/14/75/48/435147548.db2.gz FEYFSJQOZSTKAW-ZQIUZPCESA-N 1 2 313.401 3.262 10 0 DGAELO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(F)c(F)c1 ZINC000470932473 435135533 /nfs/dbraw/zinc/13/55/33/435135533.db2.gz PFOPUDMNQRWVOQ-SCZZXKLOSA-N 1 2 322.277 3.176 10 0 DGAELO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(F)c(F)c1 ZINC000470932473 435135537 /nfs/dbraw/zinc/13/55/37/435135537.db2.gz PFOPUDMNQRWVOQ-SCZZXKLOSA-N 1 2 322.277 3.176 10 0 DGAELO CCc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000470960938 435136946 /nfs/dbraw/zinc/13/69/46/435136946.db2.gz RINWLZGHKFDKDH-SMDDNHRTSA-N 1 2 314.351 3.460 10 0 DGAELO CCc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000470960938 435136947 /nfs/dbraw/zinc/13/69/47/435136947.db2.gz RINWLZGHKFDKDH-SMDDNHRTSA-N 1 2 314.351 3.460 10 0 DGAELO C[C@@H]([NH2+]Cc1cc(O)ccc1Br)c1cscn1 ZINC000568276016 435418992 /nfs/dbraw/zinc/41/89/92/435418992.db2.gz DDUJWCJDZCLAAI-MRVPVSSYSA-N 1 2 313.220 3.462 10 0 DGAELO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(Br)c(C)c2)o1 ZINC000568297598 435420672 /nfs/dbraw/zinc/42/06/72/435420672.db2.gz FNYSXEJMYXTMRG-SECBINFHSA-N 1 2 310.195 3.300 10 0 DGAELO Cn1ccc(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000536552608 435388340 /nfs/dbraw/zinc/38/83/40/435388340.db2.gz FHZNLYZUFYUJAZ-UHFFFAOYSA-N 1 2 318.833 3.487 10 0 DGAELO CC[C@@H](C[NH2+][C@@H](C(=O)OC)C1CC1)Oc1cccc(Cl)c1 ZINC000513431055 435390314 /nfs/dbraw/zinc/39/03/14/435390314.db2.gz CNOYNBHBGWJDCU-DZGCQCFKSA-N 1 2 311.809 3.039 10 0 DGAELO C/C=C\C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)C(=O)OCC ZINC000482441114 435464757 /nfs/dbraw/zinc/46/47/57/435464757.db2.gz SUCCOTWLMCIOHX-MAVJXHJTSA-N 1 2 317.429 3.042 10 0 DGAELO COC(=O)[C@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)C1CC1 ZINC000568977849 435488812 /nfs/dbraw/zinc/48/88/12/435488812.db2.gz YUKQQTKQBOSKCY-QGZVFWFLSA-N 1 2 303.402 3.049 10 0 DGAELO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000549011169 435733456 /nfs/dbraw/zinc/73/34/56/435733456.db2.gz GTXXYMYIDALIFX-AULYBMBSSA-N 1 2 313.792 3.375 10 0 DGAELO Clc1cc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc2c1OCO2 ZINC000551898890 435857747 /nfs/dbraw/zinc/85/77/47/435857747.db2.gz YWPAZAMQHQCQOC-CYBMUJFWSA-N 1 2 305.765 3.129 10 0 DGAELO Clc1cc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc2c1OCO2 ZINC000551898890 435857751 /nfs/dbraw/zinc/85/77/51/435857751.db2.gz YWPAZAMQHQCQOC-CYBMUJFWSA-N 1 2 305.765 3.129 10 0 DGAELO Cc1cc(Cl)cnc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000333228635 301294080 /nfs/dbraw/zinc/29/40/80/301294080.db2.gz XSKNHFKMUMJJBI-GXSJLCMTSA-N 1 2 305.769 3.067 10 0 DGAELO COCCc1noc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000171614376 312726639 /nfs/dbraw/zinc/72/66/39/312726639.db2.gz LMEOFUXXOKOQDY-CYBMUJFWSA-N 1 2 303.406 3.233 10 0 DGAELO Cc1nnc(C[NH2+]C2(c3cccc(Cl)c3)CC2)n1C1CC1 ZINC000179668351 312812623 /nfs/dbraw/zinc/81/26/23/312812623.db2.gz VZDXZTBXFVKKKK-UHFFFAOYSA-N 1 2 302.809 3.354 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCC(C)(C)C1)C2 ZINC000530290274 313355874 /nfs/dbraw/zinc/35/58/74/313355874.db2.gz KJDMNVWOAPRKCS-STQMWFEESA-N 1 2 303.450 3.333 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCC(C)(C)C1)CC2 ZINC000530290274 313355876 /nfs/dbraw/zinc/35/58/76/313355876.db2.gz KJDMNVWOAPRKCS-STQMWFEESA-N 1 2 303.450 3.333 10 0 DGAELO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000542914270 314106066 /nfs/dbraw/zinc/10/60/66/314106066.db2.gz CALBXLZSDBYJLN-CYBMUJFWSA-N 1 2 302.201 3.377 10 0 DGAELO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000542914270 314106069 /nfs/dbraw/zinc/10/60/69/314106069.db2.gz CALBXLZSDBYJLN-CYBMUJFWSA-N 1 2 302.201 3.377 10 0 DGAELO c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCO[C@H](C4CCC4)C3)c21 ZINC000563317622 315102151 /nfs/dbraw/zinc/10/21/51/315102151.db2.gz IBNJFBVEXNNLFT-HNNXBMFYSA-N 1 2 308.385 3.116 10 0 DGAELO c1nnc([C@@H]([NH2+]C[C@H]2CC23CCSCC3)c2ccccc2)[nH]1 ZINC000564816575 315202526 /nfs/dbraw/zinc/20/25/26/315202526.db2.gz JSEKWQWYRMALCQ-CABCVRRESA-N 1 2 314.458 3.017 10 0 DGAELO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000179930727 323217757 /nfs/dbraw/zinc/21/77/57/323217757.db2.gz XTDMWBUIJQPPDH-JTQLQIEISA-N 1 2 317.320 3.328 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181233791 323249702 /nfs/dbraw/zinc/24/97/02/323249702.db2.gz SUJZFDSJGPHSGJ-UHFFFAOYSA-N 1 2 314.364 3.090 10 0 DGAELO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2 ZINC000182293195 323290851 /nfs/dbraw/zinc/29/08/51/323290851.db2.gz LFOIHCUONPHYFF-LBPRGKRZSA-N 1 2 323.352 3.316 10 0 DGAELO CC[C@H]([NH2+]Cc1nsc(N(C)C)n1)c1ccc(Cl)cc1 ZINC000182309331 323291859 /nfs/dbraw/zinc/29/18/59/323291859.db2.gz DHMXUGDOOIZWRS-LBPRGKRZSA-N 1 2 310.854 3.498 10 0 DGAELO CC(C)c1cnc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)s1 ZINC000183101523 323325128 /nfs/dbraw/zinc/32/51/28/323325128.db2.gz KCWSLZZLIMZDRP-LBPRGKRZSA-N 1 2 310.463 3.430 10 0 DGAELO CC(C)c1cnc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)s1 ZINC000183101523 323325132 /nfs/dbraw/zinc/32/51/32/323325132.db2.gz KCWSLZZLIMZDRP-LBPRGKRZSA-N 1 2 310.463 3.430 10 0 DGAELO Cc1c([C@H](C)[NH2+]Cc2coc(-c3ccc(F)cc3)n2)cnn1C ZINC000183355417 323335067 /nfs/dbraw/zinc/33/50/67/323335067.db2.gz LWYMPSNSHBZJON-NSHDSACASA-N 1 2 314.364 3.373 10 0 DGAELO COC[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccco1 ZINC000184590532 323368567 /nfs/dbraw/zinc/36/85/67/323368567.db2.gz PMNUMUIQWZLGLE-INIZCTEOSA-N 1 2 315.348 3.082 10 0 DGAELO Cc1cnc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)n2C)s1 ZINC000184980184 323378474 /nfs/dbraw/zinc/37/84/74/323378474.db2.gz UBBWGSDKOQPWKQ-GFCCVEGCSA-N 1 2 313.430 3.098 10 0 DGAELO CC[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1nccs1 ZINC000185045845 323379284 /nfs/dbraw/zinc/37/92/84/323379284.db2.gz IXPXZOYPOJMNKX-NSHDSACASA-N 1 2 311.357 3.101 10 0 DGAELO CC[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1nccs1 ZINC000185114589 323381679 /nfs/dbraw/zinc/38/16/79/323381679.db2.gz XEAASLCDXXGQDB-AWEZNQCLSA-N 1 2 307.463 3.191 10 0 DGAELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000185968762 323399808 /nfs/dbraw/zinc/39/98/08/323399808.db2.gz SYAVVGDIHGMRDD-CQSZACIVSA-N 1 2 301.217 3.223 10 0 DGAELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000185968762 323399811 /nfs/dbraw/zinc/39/98/11/323399811.db2.gz SYAVVGDIHGMRDD-CQSZACIVSA-N 1 2 301.217 3.223 10 0 DGAELO c1cc(-c2noc(C[N@H+]3CCOC[C@H]3CC3CCC3)n2)cs1 ZINC000581957760 324173102 /nfs/dbraw/zinc/17/31/02/324173102.db2.gz VIDZYQSGXYGIDF-CQSZACIVSA-N 1 2 319.430 3.189 10 0 DGAELO c1cc(-c2noc(C[N@@H+]3CCOC[C@H]3CC3CCC3)n2)cs1 ZINC000581957760 324173106 /nfs/dbraw/zinc/17/31/06/324173106.db2.gz VIDZYQSGXYGIDF-CQSZACIVSA-N 1 2 319.430 3.189 10 0 DGAELO C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CC1 ZINC000583297834 324336465 /nfs/dbraw/zinc/33/64/65/324336465.db2.gz PMFLTPJLEYWSCE-MORSLUCNSA-N 1 2 324.428 3.209 10 0 DGAELO COC(=O)[C@@H]([NH2+][C@@H](C)C1CCCC1)c1cc(OC)cc(OC)c1 ZINC000178020720 534281518 /nfs/dbraw/zinc/28/15/18/534281518.db2.gz YMDZVXSSAWRMEH-SJCJKPOMSA-N 1 2 321.417 3.086 10 0 DGAELO C(c1nc(C2CCCC2)no1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189142060 518405903 /nfs/dbraw/zinc/40/59/03/518405903.db2.gz CVNRLWRIWNFFMJ-HNNXBMFYSA-N 1 2 305.422 3.118 10 0 DGAELO CC(C)CC1(CNC(=O)NCc2ccc[nH+]c2N(C)C)CCC1 ZINC000157342639 519630031 /nfs/dbraw/zinc/63/00/31/519630031.db2.gz PSAGHSWJSRQSPG-UHFFFAOYSA-N 1 2 318.465 3.163 10 0 DGAELO CCCC[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C1CCC1 ZINC000157338792 521081088 /nfs/dbraw/zinc/08/10/88/521081088.db2.gz FTAGIFJREWVUHQ-MRXNPFEDSA-N 1 2 318.465 3.306 10 0 DGAELO COc1ccc(C[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)cc1 ZINC000157064645 524035476 /nfs/dbraw/zinc/03/54/76/524035476.db2.gz BFFAKQNPFUTFRD-HNNXBMFYSA-N 1 2 304.415 3.034 10 0 DGAELO COc1ccc(C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)cc1 ZINC000157064645 524035479 /nfs/dbraw/zinc/03/54/79/524035479.db2.gz 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10 0 DGAELO Cn1c(-c2ccccc2)cn(C[N@H+](C)C[C@H]2CCCO2)c1=S ZINC000151711584 620471172 /nfs/dbraw/zinc/47/11/72/620471172.db2.gz RPDAGLNNVAILSE-OAHLLOKOSA-N 1 2 317.458 3.291 10 0 DGAELO Cn1c(-c2ccccc2)cn(C[N@@H+](C)C[C@H]2CCCO2)c1=S ZINC000151711584 620471175 /nfs/dbraw/zinc/47/11/75/620471175.db2.gz RPDAGLNNVAILSE-OAHLLOKOSA-N 1 2 317.458 3.291 10 0 DGAELO CC(C)(C)c1ccc(=O)n(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000114445236 621007773 /nfs/dbraw/zinc/00/77/73/621007773.db2.gz QYBMIMUJYHGGJK-LJQANCHMSA-N 1 2 315.461 3.321 10 0 DGAELO CC(C)(C)c1ccc(=O)n(C[N@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000114445236 621007776 /nfs/dbraw/zinc/00/77/76/621007776.db2.gz QYBMIMUJYHGGJK-LJQANCHMSA-N 1 2 315.461 3.321 10 0 DGAELO Cc1ccc2c(C[NH+]3[C@H](C)COC[C@H]3C)cc(=O)oc2c1C ZINC000120871180 622034958 /nfs/dbraw/zinc/03/49/58/622034958.db2.gz WNVWPEYYVYXEIY-CHWSQXEVSA-N 1 2 301.386 3.019 10 0 DGAELO O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)NC1CCCCCCC1 ZINC000057869661 660443524 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655793621 /nfs/dbraw/zinc/79/36/21/655793621.db2.gz VOEGJDVPALLHLB-AOOOYVTPSA-N 1 2 301.253 3.170 10 0 DGAELO C[C@@H]1C[N@H+](Cc2ncccc2Br)C[C@H](C)S1 ZINC000309288280 655793622 /nfs/dbraw/zinc/79/36/22/655793622.db2.gz VOEGJDVPALLHLB-AOOOYVTPSA-N 1 2 301.253 3.170 10 0 DGAELO Cc1cc([C@@H](C)[NH2+]Cc2cn(C)nc2Br)c(C)o1 ZINC000712462787 661188572 /nfs/dbraw/zinc/18/85/72/661188572.db2.gz WZZUWHVFSPZKLY-SECBINFHSA-N 1 2 312.211 3.243 10 0 DGAELO COC(=O)c1oc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1C ZINC000177629313 655936386 /nfs/dbraw/zinc/93/63/86/655936386.db2.gz ZPWOAAFKZVCYAD-UHFFFAOYSA-N 1 2 308.765 3.055 10 0 DGAELO COC(=O)c1oc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1C ZINC000177629313 655936387 /nfs/dbraw/zinc/93/63/87/655936387.db2.gz ZPWOAAFKZVCYAD-UHFFFAOYSA-N 1 2 308.765 3.055 10 0 DGAELO Cc1cc([NH+](C)C)ccc1NCc1nc(Br)c[nH]1 ZINC000311222676 655984387 /nfs/dbraw/zinc/98/43/87/655984387.db2.gz OPGGNKJZODFYAY-UHFFFAOYSA-N 1 2 309.211 3.159 10 0 DGAELO CC(C)(C)c1coc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000724364097 656515452 /nfs/dbraw/zinc/51/54/52/656515452.db2.gz LMJCJKPGOCWKPQ-MRXNPFEDSA-N 1 2 313.445 3.336 10 0 DGAELO CC[C@H](CO)Nc1nc(N2CCC[C@H](C)C2)[nH+]c2ccccc21 ZINC000096195810 657510962 /nfs/dbraw/zinc/51/09/62/657510962.db2.gz NSHMPBUIAVWDQA-UONOGXRCSA-N 1 2 314.433 3.049 10 0 DGAELO CCCNc1nc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c2ccccc21 ZINC000096205658 657513649 /nfs/dbraw/zinc/51/36/49/657513649.db2.gz QZAVAQWWLZWFJC-BETUJISGSA-N 1 2 300.406 3.065 10 0 DGAELO Cc1cccc(CCCOCCOC(=O)c2ccsc2)[nH+]1 ZINC000068373441 659950256 /nfs/dbraw/zinc/95/02/56/659950256.db2.gz VHGDDZJUOQRCJJ-UHFFFAOYSA-N 1 2 305.399 3.258 10 0 DGAELO C/C(=C\C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000188777471 661944611 /nfs/dbraw/zinc/94/46/11/661944611.db2.gz MGGIIQFJCSPOAB-ACCUITESSA-N 1 2 318.848 3.171 10 0 DGAELO C/C(=C\C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000188777471 661944612 /nfs/dbraw/zinc/94/46/12/661944612.db2.gz MGGIIQFJCSPOAB-ACCUITESSA-N 1 2 318.848 3.171 10 0 DGAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000189085257 661962358 /nfs/dbraw/zinc/96/23/58/661962358.db2.gz KVNPRBSRJBSOHX-SNVBAGLBSA-N 1 2 318.364 3.009 10 0 DGAELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000189085257 661962359 /nfs/dbraw/zinc/96/23/59/661962359.db2.gz KVNPRBSRJBSOHX-SNVBAGLBSA-N 1 2 318.364 3.009 10 0 DGAELO CC1(C)C[N@H+](Cn2cccnc2=S)CC[C@H]1C(F)(F)F ZINC000189802641 661991933 /nfs/dbraw/zinc/99/19/33/661991933.db2.gz CRLTUEMTWOUCHU-SNVBAGLBSA-N 1 2 305.369 3.480 10 0 DGAELO CC1(C)C[N@@H+](Cn2cccnc2=S)CC[C@H]1C(F)(F)F ZINC000189802641 661991935 /nfs/dbraw/zinc/99/19/35/661991935.db2.gz CRLTUEMTWOUCHU-SNVBAGLBSA-N 1 2 305.369 3.480 10 0 DGAELO CCC(=O)CC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000190301866 662026953 /nfs/dbraw/zinc/02/69/53/662026953.db2.gz MFTWAEYTLXCLCZ-UHFFFAOYSA-N 1 2 311.429 3.465 10 0 DGAELO Cc1cc(COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)ns1 ZINC000193502482 662136518 /nfs/dbraw/zinc/13/65/18/662136518.db2.gz AQNYQUCJOHMSFP-INIZCTEOSA-N 1 2 316.426 3.159 10 0 DGAELO Cc1cc(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)ns1 ZINC000193502482 662136520 /nfs/dbraw/zinc/13/65/20/662136520.db2.gz AQNYQUCJOHMSFP-INIZCTEOSA-N 1 2 316.426 3.159 10 0 DGAELO C[C@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(C(F)(F)F)s1 ZINC000717912026 662197536 /nfs/dbraw/zinc/19/75/36/662197536.db2.gz OFDHWRBUHNGRDQ-YUMQZZPRSA-N 1 2 304.341 3.307 10 0 DGAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(Cl)c1O ZINC000245864206 662242951 /nfs/dbraw/zinc/24/29/51/662242951.db2.gz JKVDQHVYHQISBL-GLQYFDAESA-N 1 2 323.820 3.352 10 0 DGAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(Cl)c1O ZINC000245864206 662242954 /nfs/dbraw/zinc/24/29/54/662242954.db2.gz JKVDQHVYHQISBL-GLQYFDAESA-N 1 2 323.820 3.352 10 0 DGAELO Cc1nc(C[NH2+]Cc2cccc(C)n2)sc1Br ZINC000719304758 662274134 /nfs/dbraw/zinc/27/41/34/662274134.db2.gz JELAGVGCEULSHU-UHFFFAOYSA-N 1 2 312.236 3.207 10 0 DGAELO c1cn2cc(C[NH2+]Cc3ccccc3OCC3CC3)nc2s1 ZINC000069061728 1195769412 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ZINC000719861907 1105027480 /nfs/dbraw/zinc/02/74/80/1105027480.db2.gz JMJYSVGNHXNBQM-NSHDSACASA-N 1 2 319.268 3.153 10 0 DGAELO CC(C)[C@@H]1C[N@@H+](Cc2sncc2Br)CCCO1 ZINC000719861907 1105027484 /nfs/dbraw/zinc/02/74/84/1105027484.db2.gz JMJYSVGNHXNBQM-NSHDSACASA-N 1 2 319.268 3.153 10 0 DGAELO Cc1ccc(C[C@H](C)N(C)C(=O)[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000081805033 192326539 /nfs/dbraw/zinc/32/65/39/192326539.db2.gz DROUBNGQWBJYRZ-RDJZCZTQSA-N 1 2 311.429 3.159 10 0 DGAELO C[C@H]([NH2+]Cc1cc(Cl)sc1Cl)C(=O)NC(C)(C)C ZINC000312609843 231121597 /nfs/dbraw/zinc/12/15/97/231121597.db2.gz VPPFWQLZPNEVJI-ZETCQYMHSA-N 1 2 309.262 3.448 10 0 DGAELO CC(C)(C)c1csc([C@@H]2C[N@H+](CC3=CCCOC3)CCO2)n1 ZINC000092790650 185341396 /nfs/dbraw/zinc/34/13/96/185341396.db2.gz XTYNSTWVAYGLGU-AWEZNQCLSA-N 1 2 322.474 3.161 10 0 DGAELO CC(C)(C)c1csc([C@@H]2C[N@@H+](CC3=CCCOC3)CCO2)n1 ZINC000092790650 185341397 /nfs/dbraw/zinc/34/13/97/185341397.db2.gz XTYNSTWVAYGLGU-AWEZNQCLSA-N 1 2 322.474 3.161 10 0 DGAELO CCC[N@@H+](Cc1ncn(-c2ccccc2)n1)C[C@H]1CCCCO1 ZINC000092803878 185342315 /nfs/dbraw/zinc/34/23/15/185342315.db2.gz UWFWCRAWHITRSA-QGZVFWFLSA-N 1 2 314.433 3.048 10 0 DGAELO CCC[N@H+](Cc1ncn(-c2ccccc2)n1)C[C@H]1CCCCO1 ZINC000092803878 185342316 /nfs/dbraw/zinc/34/23/16/185342316.db2.gz UWFWCRAWHITRSA-QGZVFWFLSA-N 1 2 314.433 3.048 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]Cc2ccc(OC)c(Cl)c2)no1 ZINC000441205724 529714772 /nfs/dbraw/zinc/71/47/72/529714772.db2.gz VDUAAOHUNWYHOR-UHFFFAOYSA-N 1 2 309.797 3.319 10 0 DGAELO COC[C@@H](C)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000103384001 432007842 /nfs/dbraw/zinc/00/78/42/432007842.db2.gz SQJKVCFNOUGTSE-CYBMUJFWSA-N 1 2 313.401 3.107 10 0 DGAELO CCC[C@@H]([NH2+]Cc1nnc(CC)n1C)c1ccc(F)cc1F ZINC000181669142 199336175 /nfs/dbraw/zinc/33/61/75/199336175.db2.gz PIZFFEYXHMZJIX-CQSZACIVSA-N 1 2 308.376 3.287 10 0 DGAELO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434988670 529977112 /nfs/dbraw/zinc/97/71/12/529977112.db2.gz 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/nfs/dbraw/zinc/21/40/40/434214040.db2.gz CEBIWJDJIYSWND-LBPRGKRZSA-N 1 2 305.341 3.441 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCc1cccs1)C2 ZINC000364068063 434222225 /nfs/dbraw/zinc/22/22/25/434222225.db2.gz IBNRKASNHULSSR-GFCCVEGCSA-N 1 2 317.458 3.058 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCc1cccs1)CC2 ZINC000364068063 434222237 /nfs/dbraw/zinc/22/22/37/434222237.db2.gz IBNRKASNHULSSR-GFCCVEGCSA-N 1 2 317.458 3.058 10 0 DGAELO c1ccc2c(c1)CO[C@]21CC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000450750170 434386482 /nfs/dbraw/zinc/38/64/82/434386482.db2.gz BGZGAEDENMOPPP-KRWDZBQOSA-N 1 2 313.426 3.047 10 0 DGAELO c1ccc2c(c1)CO[C@]21CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000450750170 434386488 /nfs/dbraw/zinc/38/64/88/434386488.db2.gz BGZGAEDENMOPPP-KRWDZBQOSA-N 1 2 313.426 3.047 10 0 DGAELO Cn1cc(Br)c(C[NH2+]Cc2ccccc2C2CC2)n1 ZINC000393321080 434389316 /nfs/dbraw/zinc/38/93/16/434389316.db2.gz JUDOAYFBOSKPGI-UHFFFAOYSA-N 1 2 320.234 3.350 10 0 DGAELO C[C@]1(F)CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000360114800 434522614 /nfs/dbraw/zinc/52/26/14/434522614.db2.gz IWOOTNHQVRWFKW-ZDUSSCGKSA-N 1 2 312.186 3.259 10 0 DGAELO C[C@]1(F)CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000360114800 434522621 /nfs/dbraw/zinc/52/26/21/434522621.db2.gz IWOOTNHQVRWFKW-ZDUSSCGKSA-N 1 2 312.186 3.259 10 0 DGAELO Cc1cc(N2CCC[C@@]3(CCCOC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000408298937 434561653 /nfs/dbraw/zinc/56/16/53/434561653.db2.gz AKFQJNOMMHRGES-LJQANCHMSA-N 1 2 324.428 3.244 10 0 DGAELO c1cn(-c2ccc(-c3noc([C@H]4CCCC45CC5)n3)cn2)c[nH+]1 ZINC000528077778 295173458 /nfs/dbraw/zinc/17/34/58/295173458.db2.gz AXGBUHBVKVKRCA-CYBMUJFWSA-N 1 2 307.357 3.365 10 0 DGAELO Cc1nc(N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(Br)c(C)[nH+]1 ZINC000528207963 295186903 /nfs/dbraw/zinc/18/69/03/295186903.db2.gz TTWFFGLGVDJYFM-WJOUQXRDSA-N 1 2 314.227 3.080 10 0 DGAELO Cc1cc(C)c(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)[nH+]1 ZINC000408469985 434579305 /nfs/dbraw/zinc/57/93/05/434579305.db2.gz TXQDQOHMSJFGGT-QAPCUYQASA-N 1 2 317.433 3.166 10 0 DGAELO O=C(NC1(c2ccccc2)CCCC1)[C@H]1CCCn2cc[nH+]c21 ZINC000176312276 295597555 /nfs/dbraw/zinc/59/75/55/295597555.db2.gz IVJVNWVHNQQARS-INIZCTEOSA-N 1 2 309.413 3.346 10 0 DGAELO COC(=O)c1cc(C)cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000459927917 434734888 /nfs/dbraw/zinc/73/48/88/434734888.db2.gz IRXNLGDRHPWIHF-UHFFFAOYSA-N 1 2 312.369 3.354 10 0 DGAELO Cc1ccnc(C2CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)n1 ZINC000371835378 434756105 /nfs/dbraw/zinc/75/61/05/434756105.db2.gz SILMBTXEKNVSGU-CYBMUJFWSA-N 1 2 315.421 3.232 10 0 DGAELO C[N@H+](CCCO)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000440944475 434757580 /nfs/dbraw/zinc/75/75/80/434757580.db2.gz LVTHOHKVYQAMFI-UHFFFAOYSA-N 1 2 310.850 3.202 10 0 DGAELO C[N@@H+](CCCO)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000440944475 434757584 /nfs/dbraw/zinc/75/75/84/434757584.db2.gz LVTHOHKVYQAMFI-UHFFFAOYSA-N 1 2 310.850 3.202 10 0 DGAELO CC=CC[C@@H]1NC(=O)N(c2cccc(Oc3cc[nH+]cc3)c2)C1=O ZINC000445979256 434841119 /nfs/dbraw/zinc/84/11/19/434841119.db2.gz DNBNXANRTFVQPB-YPQKKHBXSA-N 1 2 323.352 3.265 10 0 DGAELO c1ccc(N[C@H]2CC[C@H](Nc3ncnc4c3CCC4)CC2)[nH+]c1 ZINC000556213164 434999624 /nfs/dbraw/zinc/99/96/24/434999624.db2.gz ULTUTMKQCWRGFH-HDJSIYSDSA-N 1 2 309.417 3.196 10 0 DGAELO CC[C@H]1C[N@H+](Cc2nc(-c3ccc(C)cc3)no2)C[C@@H](C)O1 ZINC000558237528 435082387 /nfs/dbraw/zinc/08/23/87/435082387.db2.gz TXJZAXKKDFECKF-HIFRSBDPSA-N 1 2 301.390 3.044 10 0 DGAELO CC[C@H]1C[N@@H+](Cc2nc(-c3ccc(C)cc3)no2)C[C@@H](C)O1 ZINC000558237528 435082391 /nfs/dbraw/zinc/08/23/91/435082391.db2.gz TXJZAXKKDFECKF-HIFRSBDPSA-N 1 2 301.390 3.044 10 0 DGAELO CC(C)n1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000532381120 435162196 /nfs/dbraw/zinc/16/21/96/435162196.db2.gz CJBRJJDKWFQFAO-OAHLLOKOSA-N 1 2 321.465 3.408 10 0 DGAELO CC(C)n1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000532381120 435162199 /nfs/dbraw/zinc/16/21/99/435162199.db2.gz CJBRJJDKWFQFAO-OAHLLOKOSA-N 1 2 321.465 3.408 10 0 DGAELO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C3CC3)s1)CCC2 ZINC000580168171 435208765 /nfs/dbraw/zinc/20/87/65/435208765.db2.gz ALHBSIILRMUNEB-AWEZNQCLSA-N 1 2 301.415 3.288 10 0 DGAELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCSc1ccccc1F ZINC000533379256 435228328 /nfs/dbraw/zinc/22/83/28/435228328.db2.gz ZNYABEJKMNUDET-AWEZNQCLSA-N 1 2 311.422 3.334 10 0 DGAELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCSc1ccccc1F ZINC000533379256 435228337 /nfs/dbraw/zinc/22/83/37/435228337.db2.gz ZNYABEJKMNUDET-AWEZNQCLSA-N 1 2 311.422 3.334 10 0 DGAELO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000534107636 435266164 /nfs/dbraw/zinc/26/61/64/435266164.db2.gz MMTQSYSDSLPCLY-ZDUSSCGKSA-N 1 2 320.433 3.496 10 0 DGAELO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000534107636 435266171 /nfs/dbraw/zinc/26/61/71/435266171.db2.gz MMTQSYSDSLPCLY-ZDUSSCGKSA-N 1 2 320.433 3.496 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC(C3CCCC3)C1)C2 ZINC000477919166 435286042 /nfs/dbraw/zinc/28/60/42/435286042.db2.gz WXEQVMVBEAUKOU-AWEZNQCLSA-N 1 2 315.461 3.287 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC(C3CCCC3)C1)CC2 ZINC000477919166 435286050 /nfs/dbraw/zinc/28/60/50/435286050.db2.gz WXEQVMVBEAUKOU-AWEZNQCLSA-N 1 2 315.461 3.287 10 0 DGAELO COc1cc(C[N@H+](C)Cc2ncc(C)cn2)ccc1OC(F)F ZINC000535523121 435336977 /nfs/dbraw/zinc/33/69/77/435336977.db2.gz CLWWJKUAOPNLBW-UHFFFAOYSA-N 1 2 323.343 3.027 10 0 DGAELO COc1cc(C[N@@H+](C)Cc2ncc(C)cn2)ccc1OC(F)F ZINC000535523121 435336983 /nfs/dbraw/zinc/33/69/83/435336983.db2.gz CLWWJKUAOPNLBW-UHFFFAOYSA-N 1 2 323.343 3.027 10 0 DGAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2cccc(Cl)c2F)C1 ZINC000643772553 435368019 /nfs/dbraw/zinc/36/80/19/435368019.db2.gz HCIPDBALFUALLZ-YPMHNXCESA-N 1 2 309.772 3.164 10 0 DGAELO Cc1ccc2c(c1)C[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C2 ZINC000483340129 435513011 /nfs/dbraw/zinc/51/30/11/435513011.db2.gz SWIASLDMKFOCMV-IIDMSEBBSA-N 1 2 300.446 3.252 10 0 DGAELO Cc1ccc2c(c1)C[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C2 ZINC000483340129 435513019 /nfs/dbraw/zinc/51/30/19/435513019.db2.gz SWIASLDMKFOCMV-IIDMSEBBSA-N 1 2 300.446 3.252 10 0 DGAELO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cccc2c1OCO2 ZINC000130633076 300369073 /nfs/dbraw/zinc/36/90/73/300369073.db2.gz ALEWUUAYHXLKQC-KSSFIOAISA-N 1 2 311.381 3.377 10 0 DGAELO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cccc2c1OCO2 ZINC000130633076 300369079 /nfs/dbraw/zinc/36/90/79/300369079.db2.gz ALEWUUAYHXLKQC-KSSFIOAISA-N 1 2 311.381 3.377 10 0 DGAELO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2nnnn2C(C)(C)C)o1 ZINC000572109037 435782774 /nfs/dbraw/zinc/78/27/74/435782774.db2.gz CWMBOUPDIBNAAL-CQSZACIVSA-N 1 2 317.437 3.447 10 0 DGAELO Cc1ccc([C@H]2CCCCC[N@H+]2Cc2nnnn2C(C)(C)C)o1 ZINC000572109037 435782778 /nfs/dbraw/zinc/78/27/78/435782778.db2.gz CWMBOUPDIBNAAL-CQSZACIVSA-N 1 2 317.437 3.447 10 0 DGAELO Cn1ncc2c1nc[nH+]c2N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000295751204 303062694 /nfs/dbraw/zinc/06/26/94/303062694.db2.gz ARPMCJVGRHIMNR-ONGXEEELSA-N 1 2 313.327 3.286 10 0 DGAELO CN(C)c1[nH+]cccc1CNC(=O)Nc1cccc(C(F)F)c1 ZINC000171396198 312718969 /nfs/dbraw/zinc/71/89/69/312718969.db2.gz PXGBZDBKXKMYCY-UHFFFAOYSA-N 1 2 320.343 3.407 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1CC(C)(C)C1)C2 ZINC000530291605 313355832 /nfs/dbraw/zinc/35/58/32/313355832.db2.gz FWEPSKMHKQCNCK-CYBMUJFWSA-N 1 2 303.450 3.190 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1CC(C)(C)C1)CC2 ZINC000530291605 313355835 /nfs/dbraw/zinc/35/58/35/313355835.db2.gz FWEPSKMHKQCNCK-CYBMUJFWSA-N 1 2 303.450 3.190 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCC(C)(C)C1)C2 ZINC000530290272 313356007 /nfs/dbraw/zinc/35/60/07/313356007.db2.gz KJDMNVWOAPRKCS-OLZOCXBDSA-N 1 2 303.450 3.333 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCC(C)(C)C1)CC2 ZINC000530290272 313356010 /nfs/dbraw/zinc/35/60/10/313356010.db2.gz KJDMNVWOAPRKCS-OLZOCXBDSA-N 1 2 303.450 3.333 10 0 DGAELO Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c(C)c[nH+]1 ZINC000535748465 313727740 /nfs/dbraw/zinc/72/77/40/313727740.db2.gz HWVVBKABDGFORI-OCCSQVGLSA-N 1 2 302.324 3.141 10 0 DGAELO CC[C@@H]1CCC[C@@H](C[NH2+]Cc2[nH]ncc2Br)C1 ZINC000541374522 314011890 /nfs/dbraw/zinc/01/18/90/314011890.db2.gz OSELGCCNCDPCTI-GHMZBOCLSA-N 1 2 300.244 3.478 10 0 DGAELO Cc1ccn2cc(CNC(=O)N(C)C[C@H]3CC=CCC3)[nH+]c2c1 ZINC000543194900 314119954 /nfs/dbraw/zinc/11/99/54/314119954.db2.gz HFNLFTGIAVQQPQ-HNNXBMFYSA-N 1 2 312.417 3.140 10 0 DGAELO COC(=O)[C@H](c1c(F)cccc1Cl)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000543198876 314120462 /nfs/dbraw/zinc/12/04/62/314120462.db2.gz WEZRIOFVWHHFKA-NHYWBVRUSA-N 1 2 311.784 3.425 10 0 DGAELO COC(=O)[C@H](c1c(F)cccc1Cl)[N@H+]1CC[C@H](C2CC2)C1 ZINC000543198876 314120464 /nfs/dbraw/zinc/12/04/64/314120464.db2.gz WEZRIOFVWHHFKA-NHYWBVRUSA-N 1 2 311.784 3.425 10 0 DGAELO COC(=O)[C@H]([NH2+]CCc1ccc(F)c(F)c1)C1CCCCC1 ZINC000544520480 314196206 /nfs/dbraw/zinc/19/62/06/314196206.db2.gz YHDLUFQOASDKAJ-MRXNPFEDSA-N 1 2 311.372 3.219 10 0 DGAELO c1cn(-c2cccc(-c3noc(CC[C@H]4CCCO4)n3)c2)c[nH+]1 ZINC000546402405 314303949 /nfs/dbraw/zinc/30/39/49/314303949.db2.gz VBRVFKFFZPIAEK-OAHLLOKOSA-N 1 2 310.357 3.034 10 0 DGAELO c1nnc([C@@H]([NH2+]C[C@@H]2CC23CCSCC3)c2ccccc2)[nH]1 ZINC000564816578 315202295 /nfs/dbraw/zinc/20/22/95/315202295.db2.gz JSEKWQWYRMALCQ-GJZGRUSLSA-N 1 2 314.458 3.017 10 0 DGAELO CC(=O)c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)on1 ZINC000566746080 315371694 /nfs/dbraw/zinc/37/16/94/315371694.db2.gz SSVYGTXVNOOKPC-GFCCVEGCSA-N 1 2 304.312 3.288 10 0 DGAELO CC(=O)c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)on1 ZINC000566746080 315371696 /nfs/dbraw/zinc/37/16/96/315371696.db2.gz SSVYGTXVNOOKPC-GFCCVEGCSA-N 1 2 304.312 3.288 10 0 DGAELO CC(C)c1ccc(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000574360539 315958560 /nfs/dbraw/zinc/95/85/60/315958560.db2.gz UZFBDKYNOZRZNB-UHFFFAOYSA-N 1 2 322.368 3.035 10 0 DGAELO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c(Br)cnn2C)o1 ZINC000575062712 316030140 /nfs/dbraw/zinc/03/01/40/316030140.db2.gz BDEAHGJDBWOMFR-KOLCDFICSA-N 1 2 324.222 3.189 10 0 DGAELO CNc1[nH+]cnc2c1cnn2Cc1ccc(Cl)c(Cl)c1 ZINC000181836403 323271768 /nfs/dbraw/zinc/27/17/68/323271768.db2.gz AJQQNEWKIFBHAE-UHFFFAOYSA-N 1 2 308.172 3.223 10 0 DGAELO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)n1 ZINC000182004219 323279589 /nfs/dbraw/zinc/27/95/89/323279589.db2.gz YZHNEVBKGDFPQD-MNOVXSKESA-N 1 2 323.368 3.166 10 0 DGAELO C[C@@H](C[NH2+]c1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1 ZINC000182046753 323281522 /nfs/dbraw/zinc/28/15/22/323281522.db2.gz FJYBJGHXOMHDMR-CQSZACIVSA-N 1 2 318.442 3.349 10 0 DGAELO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2 ZINC000182293209 323291265 /nfs/dbraw/zinc/29/12/65/323291265.db2.gz LFOIHCUONPHYFF-GFCCVEGCSA-N 1 2 323.352 3.316 10 0 DGAELO Cc1ccccc1[C@@H]([NH2+]Cc1nsc(N(C)C)n1)C(C)C ZINC000183228472 323330887 /nfs/dbraw/zinc/33/08/87/323330887.db2.gz RGOOSKZHXRZJNZ-HNNXBMFYSA-N 1 2 304.463 3.399 10 0 DGAELO CC[C@@H]([NH2+]CC(=O)Nc1cc(C)ccc1C)c1nccs1 ZINC000185042723 323379484 /nfs/dbraw/zinc/37/94/84/323379484.db2.gz JOBZGUPSYVGBCD-CYBMUJFWSA-N 1 2 303.431 3.439 10 0 DGAELO CC[C@@H]([NH2+]CC(=O)Nc1cccc(C(C)=O)c1)c1nccs1 ZINC000185045736 323379874 /nfs/dbraw/zinc/37/98/74/323379874.db2.gz SFMJFACBYRXGSQ-CQSZACIVSA-N 1 2 317.414 3.025 10 0 DGAELO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1nccs1 ZINC000185083870 323380529 /nfs/dbraw/zinc/38/05/29/323380529.db2.gz FGAWFJRLNKUHIJ-WDEREUQCSA-N 1 2 309.460 3.123 10 0 DGAELO CC[C@H]([NH2+]CC(=O)Nc1ccc(C(C)=O)cc1)c1nccs1 ZINC000185109307 323381547 /nfs/dbraw/zinc/38/15/47/323381547.db2.gz LCIPWHTZIKBBAO-AWEZNQCLSA-N 1 2 317.414 3.025 10 0 DGAELO C[C@@H]([NH2+]Cc1ccncc1Cl)c1cn(-c2ccccc2)nn1 ZINC000185460386 323389437 /nfs/dbraw/zinc/38/94/37/323389437.db2.gz XXUNQBSFQONFJJ-GFCCVEGCSA-N 1 2 313.792 3.167 10 0 DGAELO c1c(C[N@@H+]2CCO[C@]3(CCSC3)C2)noc1-c1ccccc1 ZINC000580771337 324036398 /nfs/dbraw/zinc/03/63/98/324036398.db2.gz GYYGZEDRTPNEAU-QGZVFWFLSA-N 1 2 316.426 3.050 10 0 DGAELO c1c(C[N@H+]2CCO[C@]3(CCSC3)C2)noc1-c1ccccc1 ZINC000580771337 324036401 /nfs/dbraw/zinc/03/64/01/324036401.db2.gz GYYGZEDRTPNEAU-QGZVFWFLSA-N 1 2 316.426 3.050 10 0 DGAELO NC(=O)[C@@H](CNc1ccc2ccccc2[nH+]1)Cc1ccc(F)cc1 ZINC000301994156 534412474 /nfs/dbraw/zinc/41/24/74/534412474.db2.gz RSAJFTBEZVCZCK-OAHLLOKOSA-N 1 2 323.371 3.130 10 0 DGAELO c1coc(-c2ncc(C[N@@H+]3CCO[C@H](C4CCC4)C3)s2)c1 ZINC000414473059 534512867 /nfs/dbraw/zinc/51/28/67/534512867.db2.gz PVMRTMSATWAEBE-HNNXBMFYSA-N 1 2 304.415 3.404 10 0 DGAELO c1coc(-c2ncc(C[N@H+]3CCO[C@H](C4CCC4)C3)s2)c1 ZINC000414473059 534512872 /nfs/dbraw/zinc/51/28/72/534512872.db2.gz PVMRTMSATWAEBE-HNNXBMFYSA-N 1 2 304.415 3.404 10 0 DGAELO Cc1nnc([C@@H]2CCCC[N@@H+]2CCOC2CCCCCC2)[nH]1 ZINC000328663518 534554979 /nfs/dbraw/zinc/55/49/79/534554979.db2.gz BHZFNIAVGPTUCK-INIZCTEOSA-N 1 2 306.454 3.380 10 0 DGAELO Cc1nnc([C@@H]2CCCC[N@H+]2CCOC2CCCCCC2)[nH]1 ZINC000328663518 534554988 /nfs/dbraw/zinc/55/49/88/534554988.db2.gz 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Cc1ccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)c(C)n1 ZINC000187447498 165091645 /nfs/dbraw/zinc/09/16/45/165091645.db2.gz MSBDWMCHWGZUCB-UHFFFAOYSA-N 1 2 315.383 3.157 10 0 DGAELO Cc1ccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)c(C)n1 ZINC000187447498 165091650 /nfs/dbraw/zinc/09/16/50/165091650.db2.gz MSBDWMCHWGZUCB-UHFFFAOYSA-N 1 2 315.383 3.157 10 0 DGAELO Cc1occc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188770518 165135851 /nfs/dbraw/zinc/13/58/51/165135851.db2.gz VBKQFWDFNCKSAG-UHFFFAOYSA-N 1 2 318.804 3.030 10 0 DGAELO Cc1occc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188770518 165135853 /nfs/dbraw/zinc/13/58/53/165135853.db2.gz VBKQFWDFNCKSAG-UHFFFAOYSA-N 1 2 318.804 3.030 10 0 DGAELO Fc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000189298877 165156729 /nfs/dbraw/zinc/15/67/29/165156729.db2.gz PVVNIDSYVSVXSW-HNNXBMFYSA-N 1 2 306.768 3.448 10 0 DGAELO Fc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000189298877 165156732 /nfs/dbraw/zinc/15/67/32/165156732.db2.gz PVVNIDSYVSVXSW-HNNXBMFYSA-N 1 2 306.768 3.448 10 0 DGAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCc2ccccc2Cl)C1 ZINC000189354520 165157511 /nfs/dbraw/zinc/15/75/11/165157511.db2.gz OFIVPKYEXUQZSZ-DZGCQCFKSA-N 1 2 321.808 3.036 10 0 DGAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCc2ccccc2Cl)C1 ZINC000189354520 165157514 /nfs/dbraw/zinc/15/75/14/165157514.db2.gz OFIVPKYEXUQZSZ-DZGCQCFKSA-N 1 2 321.808 3.036 10 0 DGAELO CC(C)NC(=O)CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000189485548 165164106 /nfs/dbraw/zinc/16/41/06/165164106.db2.gz DYHRHADCFZXIRK-CZUORRHYSA-N 1 2 324.852 3.017 10 0 DGAELO CC(C)NC(=O)CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000189485548 165164112 /nfs/dbraw/zinc/16/41/12/165164112.db2.gz DYHRHADCFZXIRK-CZUORRHYSA-N 1 2 324.852 3.017 10 0 DGAELO CCCc1noc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000190177886 165191872 /nfs/dbraw/zinc/19/18/72/165191872.db2.gz XYQRBMFHDQSQOW-JTQLQIEISA-N 1 2 305.344 3.433 10 0 DGAELO CCCc1noc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000190177886 165191874 /nfs/dbraw/zinc/19/18/74/165191874.db2.gz XYQRBMFHDQSQOW-JTQLQIEISA-N 1 2 305.344 3.433 10 0 DGAELO CCc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)C2CCCCC2)o1 ZINC000190583978 165208651 /nfs/dbraw/zinc/20/86/51/165208651.db2.gz AZIHJLBUGAZQMY-SJORKVTESA-N 1 2 307.434 3.157 10 0 DGAELO CCc1ccc([C@H]2COCC[N@H+]2C[C@H](O)C2CCCCC2)o1 ZINC000190583978 165208656 /nfs/dbraw/zinc/20/86/56/165208656.db2.gz AZIHJLBUGAZQMY-SJORKVTESA-N 1 2 307.434 3.157 10 0 DGAELO O=C(NCCCNc1cccc[nH+]1)NCc1ccc(C2CC2)cc1 ZINC000191102283 165230807 /nfs/dbraw/zinc/23/08/07/165230807.db2.gz BTHUNWFMMARNET-UHFFFAOYSA-N 1 2 324.428 3.260 10 0 DGAELO COC(=O)c1cnc(/C=C/c2ccc(N(C)C(C)C)[nH+]c2)s1 ZINC000191286863 165239587 /nfs/dbraw/zinc/23/95/87/165239587.db2.gz JNVLUBGVNYBLAZ-SOFGYWHQSA-N 1 2 317.414 3.340 10 0 DGAELO O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000191615310 165261374 /nfs/dbraw/zinc/26/13/74/165261374.db2.gz UETLRFGMRHPOCO-SFHVURJKSA-N 1 2 324.428 3.135 10 0 DGAELO COc1ccc(Cl)c(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000191978705 165277820 /nfs/dbraw/zinc/27/78/20/165277820.db2.gz ANXPLXBUMYMGAC-UHFFFAOYSA-N 1 2 305.809 3.451 10 0 DGAELO Fc1ccc2[nH]c3c(c2c1)C[N@H+](CCO[C@@H]1CCCCO1)CC3 ZINC000193071039 165316510 /nfs/dbraw/zinc/31/65/10/165316510.db2.gz KQRAXSXKFKUFHT-GOSISDBHSA-N 1 2 318.392 3.208 10 0 DGAELO Fc1ccc2[nH]c3c(c2c1)C[N@@H+](CCO[C@@H]1CCCCO1)CC3 ZINC000193071039 165316514 /nfs/dbraw/zinc/31/65/14/165316514.db2.gz KQRAXSXKFKUFHT-GOSISDBHSA-N 1 2 318.392 3.208 10 0 DGAELO CC(C)(C)c1noc(C[N@@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000195341692 165367525 /nfs/dbraw/zinc/36/75/25/165367525.db2.gz CHZBHVLPJAZOCG-NSHDSACASA-N 1 2 306.435 3.203 10 0 DGAELO CC(C)(C)c1noc(C[N@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000195341692 165367527 /nfs/dbraw/zinc/36/75/27/165367527.db2.gz CHZBHVLPJAZOCG-NSHDSACASA-N 1 2 306.435 3.203 10 0 DGAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCCC[C@@H]2c2nccs2)C1 ZINC000195366107 165368523 /nfs/dbraw/zinc/36/85/23/165368523.db2.gz XPNKUKWRTQPQSB-QLFBSQMISA-N 1 2 321.490 3.175 10 0 DGAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCCC[C@@H]2c2nccs2)C1 ZINC000195366107 165368527 /nfs/dbraw/zinc/36/85/27/165368527.db2.gz XPNKUKWRTQPQSB-QLFBSQMISA-N 1 2 321.490 3.175 10 0 DGAELO CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195365561 165369158 /nfs/dbraw/zinc/36/91/58/165369158.db2.gz WWXSQISOLCMKJO-CQSZACIVSA-N 1 2 309.479 3.319 10 0 DGAELO CCCN(CCC)C(=O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195365561 165369159 /nfs/dbraw/zinc/36/91/59/165369159.db2.gz WWXSQISOLCMKJO-CQSZACIVSA-N 1 2 309.479 3.319 10 0 DGAELO Cc1csc([C@H]2C[N@H+](CCOc3ccccc3C)CCO2)n1 ZINC000195437288 165370262 /nfs/dbraw/zinc/37/02/62/165370262.db2.gz VQJCDMIOIDZGKH-MRXNPFEDSA-N 1 2 318.442 3.212 10 0 DGAELO Cc1csc([C@H]2C[N@@H+](CCOc3ccccc3C)CCO2)n1 ZINC000195437288 165370267 /nfs/dbraw/zinc/37/02/67/165370267.db2.gz VQJCDMIOIDZGKH-MRXNPFEDSA-N 1 2 318.442 3.212 10 0 DGAELO Cc1csc([C@@H]2C[N@H+](CCOc3ccccc3C)CCO2)n1 ZINC000195437279 165370915 /nfs/dbraw/zinc/37/09/15/165370915.db2.gz VQJCDMIOIDZGKH-INIZCTEOSA-N 1 2 318.442 3.212 10 0 DGAELO Cc1csc([C@@H]2C[N@@H+](CCOc3ccccc3C)CCO2)n1 ZINC000195437279 165370917 /nfs/dbraw/zinc/37/09/17/165370917.db2.gz VQJCDMIOIDZGKH-INIZCTEOSA-N 1 2 318.442 3.212 10 0 DGAELO CC(C)CCOCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195513544 165372473 /nfs/dbraw/zinc/37/24/73/165372473.db2.gz IXWGTQKWJJBFSH-INIZCTEOSA-N 1 2 320.481 3.204 10 0 DGAELO CC(C)CCOCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195513544 165372475 /nfs/dbraw/zinc/37/24/75/165372475.db2.gz IXWGTQKWJJBFSH-INIZCTEOSA-N 1 2 320.481 3.204 10 0 DGAELO Cc1ccccc1OCCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521915 165373863 /nfs/dbraw/zinc/37/38/63/165373863.db2.gz DQEFDIVXASWEEM-INIZCTEOSA-N 1 2 318.442 3.294 10 0 DGAELO Cc1ccccc1OCCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521915 165373865 /nfs/dbraw/zinc/37/38/65/165373865.db2.gz DQEFDIVXASWEEM-INIZCTEOSA-N 1 2 318.442 3.294 10 0 DGAELO Clc1ccc(OCC[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000195521235 165374027 /nfs/dbraw/zinc/37/40/27/165374027.db2.gz WNUZCYKOIRXLPD-AWEZNQCLSA-N 1 2 324.833 3.249 10 0 DGAELO Clc1ccc(OCC[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000195521235 165374029 /nfs/dbraw/zinc/37/40/29/165374029.db2.gz WNUZCYKOIRXLPD-AWEZNQCLSA-N 1 2 324.833 3.249 10 0 DGAELO CCn1cc[nH+]c1CSc1nnc(-c2ccco2)n1CC ZINC000195516460 165374885 /nfs/dbraw/zinc/37/48/85/165374885.db2.gz INPAIPNEFGHRKR-UHFFFAOYSA-N 1 2 303.391 3.067 10 0 DGAELO C[N@@H+](Cc1c(F)ccc(Br)c1F)C[C@@H]1CCCO1 ZINC000230343333 165396945 /nfs/dbraw/zinc/39/69/45/165396945.db2.gz PMJHWAZDJFCFOO-VIFPVBQESA-N 1 2 320.177 3.338 10 0 DGAELO C[N@H+](Cc1c(F)ccc(Br)c1F)C[C@@H]1CCCO1 ZINC000230343333 165396949 /nfs/dbraw/zinc/39/69/49/165396949.db2.gz PMJHWAZDJFCFOO-VIFPVBQESA-N 1 2 320.177 3.338 10 0 DGAELO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(N)[nH+]c2)cc1 ZINC000262551699 165808483 /nfs/dbraw/zinc/80/84/83/165808483.db2.gz RWGAWDNJZNHMNZ-WBVHZDCISA-N 1 2 311.385 3.079 10 0 DGAELO CCCCC[N@H+](CCO)Cc1noc(-c2ccccc2C)n1 ZINC000129023595 196012853 /nfs/dbraw/zinc/01/28/53/196012853.db2.gz ZWANFMDQJPQHMN-UHFFFAOYSA-N 1 2 303.406 3.030 10 0 DGAELO CCCCC[N@@H+](CCO)Cc1noc(-c2ccccc2C)n1 ZINC000129023595 196012855 /nfs/dbraw/zinc/01/28/55/196012855.db2.gz ZWANFMDQJPQHMN-UHFFFAOYSA-N 1 2 303.406 3.030 10 0 DGAELO O=C(C[N@@H+]1CCc2[nH]c3ccccc3c2C1)Nc1ccccc1 ZINC000171618918 432151777 /nfs/dbraw/zinc/15/17/77/432151777.db2.gz VTATUEKWRZGGSA-UHFFFAOYSA-N 1 2 305.381 3.165 10 0 DGAELO O=C(C[N@H+]1CCc2[nH]c3ccccc3c2C1)Nc1ccccc1 ZINC000171618918 432151781 /nfs/dbraw/zinc/15/17/81/432151781.db2.gz VTATUEKWRZGGSA-UHFFFAOYSA-N 1 2 305.381 3.165 10 0 DGAELO c1c(CN2CCc3[nH]c4ccccc4c3C2)[nH+]c2ccccn12 ZINC000171614458 432152298 /nfs/dbraw/zinc/15/22/98/432152298.db2.gz KIXUBUQHUCHFBU-UHFFFAOYSA-N 1 2 302.381 3.374 10 0 DGAELO CCc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)oc1CC ZINC000136419307 432153688 /nfs/dbraw/zinc/15/36/88/432153688.db2.gz DDMPFZFEHNIUJG-UHFFFAOYSA-N 1 2 301.390 3.078 10 0 DGAELO Cc1cccc2nc(CN3CCc4c([nH+]c(C(C)C)n4C)C3)cn21 ZINC000171640877 432154162 /nfs/dbraw/zinc/15/41/62/432154162.db2.gz BOYVOBBNLADPEI-UHFFFAOYSA-N 1 2 323.444 3.058 10 0 DGAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)CC(C)(C)C)c2cccs2)CCO1 ZINC000246760573 432162509 /nfs/dbraw/zinc/16/25/09/432162509.db2.gz IFHFIRQVBFJSEY-UONOGXRCSA-N 1 2 324.490 3.062 10 0 DGAELO C[C@H]1C[N@H+]([C@H](CNC(=O)CC(C)(C)C)c2cccs2)CCO1 ZINC000246760573 432162512 /nfs/dbraw/zinc/16/25/12/432162512.db2.gz IFHFIRQVBFJSEY-UONOGXRCSA-N 1 2 324.490 3.062 10 0 DGAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182149437 432163324 /nfs/dbraw/zinc/16/33/24/432163324.db2.gz KVLGENOPIDJQKT-GJZGRUSLSA-N 1 2 316.380 3.064 10 0 DGAELO COc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246826387 432168939 /nfs/dbraw/zinc/16/89/39/432168939.db2.gz UONJDAPNMHSLFC-KSSFIOAISA-N 1 2 319.351 3.281 10 0 DGAELO COc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246826387 432168943 /nfs/dbraw/zinc/16/89/43/432168943.db2.gz UONJDAPNMHSLFC-KSSFIOAISA-N 1 2 319.351 3.281 10 0 DGAELO COc1cc[nH+]cc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000129599046 196060425 /nfs/dbraw/zinc/06/04/25/196060425.db2.gz UXEDRCIHGAFGGH-UHFFFAOYSA-N 1 2 306.312 3.330 10 0 DGAELO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000246878263 432176433 /nfs/dbraw/zinc/17/64/33/432176433.db2.gz AUHDAEGSFFJVKR-PBHICJAKSA-N 1 2 321.371 3.013 10 0 DGAELO CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000246878263 432176437 /nfs/dbraw/zinc/17/64/37/432176437.db2.gz AUHDAEGSFFJVKR-PBHICJAKSA-N 1 2 321.371 3.013 10 0 DGAELO O=C1[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)CCN1c1ccccc1 ZINC000171947684 432185603 /nfs/dbraw/zinc/18/56/03/432185603.db2.gz QZSWTDDATJOYHM-GXTWGEPZSA-N 1 2 312.335 3.066 10 0 DGAELO O=C1[C@H]([N@H+]2CCC[C@H](C(F)(F)F)C2)CCN1c1ccccc1 ZINC000171947684 432185606 /nfs/dbraw/zinc/18/56/06/432185606.db2.gz QZSWTDDATJOYHM-GXTWGEPZSA-N 1 2 312.335 3.066 10 0 DGAELO FC(F)(F)c1ccccc1[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000182390060 432185659 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Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2 ZINC000376268041 433704646 /nfs/dbraw/zinc/70/46/46/433704646.db2.gz CMYMJPFOGAYWJO-UHFFFAOYSA-N 1 2 324.306 3.258 10 0 DGAELO c1ccc(-c2nnc([C@H]3CCC[N@H+]3C[C@H]3CCCCO3)[nH]2)cc1 ZINC000371330910 293210743 /nfs/dbraw/zinc/21/07/43/293210743.db2.gz YRGMVXCJNKTUHI-HZPDHXFCSA-N 1 2 312.417 3.178 10 0 DGAELO c1ccc(-c2nnc([C@H]3CCC[N@@H+]3C[C@H]3CCCCO3)[nH]2)cc1 ZINC000371330910 293210749 /nfs/dbraw/zinc/21/07/49/293210749.db2.gz YRGMVXCJNKTUHI-HZPDHXFCSA-N 1 2 312.417 3.178 10 0 DGAELO CCCN(CC(F)F)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372389649 293242011 /nfs/dbraw/zinc/24/20/11/293242011.db2.gz MOBYSJWFBQJFMN-NSHDSACASA-N 1 2 313.392 3.142 10 0 DGAELO CCCN(CC(F)F)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372389649 293242015 /nfs/dbraw/zinc/24/20/15/293242015.db2.gz MOBYSJWFBQJFMN-NSHDSACASA-N 1 2 313.392 3.142 10 0 DGAELO Cn1ccc([C@H]([NH2+]Cc2cccc(O)c2)c2ccc(F)cc2)n1 ZINC000374518945 293411046 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CN(C)c1cc(CNc2ccc(OC(F)(F)F)cn2)cc[nH+]1 ZINC000302267553 433819464 /nfs/dbraw/zinc/81/94/64/433819464.db2.gz FXUYFSYFLHKWRO-UHFFFAOYSA-N 1 2 312.295 3.053 10 0 DGAELO Brc1cncnc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000351961393 433820483 /nfs/dbraw/zinc/82/04/83/433820483.db2.gz AIKGRZIFXVBYDW-UHFFFAOYSA-N 1 2 317.146 3.217 10 0 DGAELO OCCN(Cc1cccc(Cl)c1)c1cc[nH+]c(C2CC2)n1 ZINC000302717540 433835245 /nfs/dbraw/zinc/83/52/45/433835245.db2.gz KABRLPAWZRJIJD-UHFFFAOYSA-N 1 2 303.793 3.006 10 0 DGAELO O=C(c1cc(O)c2ccccc2c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000376137037 293619300 /nfs/dbraw/zinc/61/93/00/293619300.db2.gz XLJJKHCHLRKDLD-OAHLLOKOSA-N 1 2 307.353 3.246 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCCC13CCC3)C2 ZINC000357138790 433880332 /nfs/dbraw/zinc/88/03/32/433880332.db2.gz CMDLJWKNMBESFO-ZDUSSCGKSA-N 1 2 301.434 3.183 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCCC13CCC3)CC2 ZINC000357138790 433880337 /nfs/dbraw/zinc/88/03/37/433880337.db2.gz CMDLJWKNMBESFO-ZDUSSCGKSA-N 1 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CCCc1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000190177903 165191498 /nfs/dbraw/zinc/19/14/98/165191498.db2.gz XYQRBMFHDQSQOW-SNVBAGLBSA-N 1 2 305.344 3.433 10 0 DGAELO CCCc1noc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000190177903 165191501 /nfs/dbraw/zinc/19/15/01/165191501.db2.gz XYQRBMFHDQSQOW-SNVBAGLBSA-N 1 2 305.344 3.433 10 0 DGAELO Cc1cc(NC(=O)N2CC3(CCCC3)OC(C)(C)C2)cc[nH+]1 ZINC000190170980 165191652 /nfs/dbraw/zinc/19/16/52/165191652.db2.gz BZCPSEGKGKNHFB-UHFFFAOYSA-N 1 2 303.406 3.346 10 0 DGAELO CCn1c(C)nnc1C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190174149 165191807 /nfs/dbraw/zinc/19/18/07/165191807.db2.gz BWCDAKXATMWMNJ-NSHDSACASA-N 1 2 304.360 3.017 10 0 DGAELO CCn1c(C)nnc1C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190174149 165191809 /nfs/dbraw/zinc/19/18/09/165191809.db2.gz BWCDAKXATMWMNJ-NSHDSACASA-N 1 2 304.360 3.017 10 0 DGAELO O[C@H](CC1CCCC1)C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000190506507 165205818 /nfs/dbraw/zinc/20/58/18/165205818.db2.gz 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/nfs/dbraw/zinc/26/54/33/165265433.db2.gz WFMNOYHUMMYEFY-UHFFFAOYSA-N 1 2 306.360 3.025 10 0 DGAELO CCc1nnc(C2CC[NH+](Cc3cc(F)ccc3F)CC2)[nH]1 ZINC000191685511 165265634 /nfs/dbraw/zinc/26/56/34/165265634.db2.gz QSPVWZSZVGNKED-UHFFFAOYSA-N 1 2 306.360 3.025 10 0 DGAELO CCc1n[nH]c(C2CC[NH+](Cc3cc(F)ccc3F)CC2)n1 ZINC000191685511 165265637 /nfs/dbraw/zinc/26/56/37/165265637.db2.gz QSPVWZSZVGNKED-UHFFFAOYSA-N 1 2 306.360 3.025 10 0 DGAELO CCc1nc(C2CC[NH+](Cc3cc(F)ccc3F)CC2)n[nH]1 ZINC000191685511 165265638 /nfs/dbraw/zinc/26/56/38/165265638.db2.gz QSPVWZSZVGNKED-UHFFFAOYSA-N 1 2 306.360 3.025 10 0 DGAELO Cc1csc2c1ncnc2N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000192717407 165304696 /nfs/dbraw/zinc/30/46/96/165304696.db2.gz MBSDAYXAHVZUTR-GFCCVEGCSA-N 1 2 311.414 3.086 10 0 DGAELO Cc1cc([C@H]2C[N@H+](CCO[C@@H]3CCCCO3)CCO2)ccc1F ZINC000193080404 165316072 /nfs/dbraw/zinc/31/60/72/165316072.db2.gz LHGBDSGDRVZUHS-QZTJIDSGSA-N 1 2 323.408 3.051 10 0 DGAELO Cc1cc([C@H]2C[N@@H+](CCO[C@@H]3CCCCO3)CCO2)ccc1F ZINC000193080404 165316076 /nfs/dbraw/zinc/31/60/76/165316076.db2.gz LHGBDSGDRVZUHS-QZTJIDSGSA-N 1 2 323.408 3.051 10 0 DGAELO CC[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000194658795 165352316 /nfs/dbraw/zinc/35/23/16/165352316.db2.gz NOEXQUHKOHOKAX-QGZVFWFLSA-N 1 2 320.396 3.077 10 0 DGAELO Cc1csc([C@@H]2CCC[N@H+](Cc3noc(C4CC4)n3)C2)n1 ZINC000195339342 165367014 /nfs/dbraw/zinc/36/70/14/165367014.db2.gz HRWXLEDZNZDVKQ-GFCCVEGCSA-N 1 2 304.419 3.092 10 0 DGAELO Cc1csc([C@@H]2CCC[N@@H+](Cc3noc(C4CC4)n3)C2)n1 ZINC000195339342 165367015 /nfs/dbraw/zinc/36/70/15/165367015.db2.gz HRWXLEDZNZDVKQ-GFCCVEGCSA-N 1 2 304.419 3.092 10 0 DGAELO CC(C)c1nc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)cc2)no1 ZINC000195374037 165368858 /nfs/dbraw/zinc/36/88/58/165368858.db2.gz JCYCYQVMMMLGFI-CABCVRRESA-N 1 2 319.380 3.203 10 0 DGAELO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)cc2)no1 ZINC000195374037 165368861 /nfs/dbraw/zinc/36/88/61/165368861.db2.gz JCYCYQVMMMLGFI-CABCVRRESA-N 1 2 319.380 3.203 10 0 DGAELO CCc1csc([C@@H]2CCC[N@H+](Cc3ncc(Cl)n3C)C2)n1 ZINC000195377524 165369253 /nfs/dbraw/zinc/36/92/53/165369253.db2.gz LLRLOECUOIJGNE-LLVKDONJSA-N 1 2 324.881 3.472 10 0 DGAELO CCc1csc([C@@H]2CCC[N@@H+](Cc3ncc(Cl)n3C)C2)n1 ZINC000195377524 165369256 /nfs/dbraw/zinc/36/92/56/165369256.db2.gz LLRLOECUOIJGNE-LLVKDONJSA-N 1 2 324.881 3.472 10 0 DGAELO CCCCOC(=O)CC[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195439094 165370827 /nfs/dbraw/zinc/37/08/27/165370827.db2.gz VEHYMLVQBVZOEN-CYBMUJFWSA-N 1 2 309.410 3.063 10 0 DGAELO CCCCOC(=O)CC[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195439094 165370830 /nfs/dbraw/zinc/37/08/30/165370830.db2.gz VEHYMLVQBVZOEN-CYBMUJFWSA-N 1 2 309.410 3.063 10 0 DGAELO Clc1ccc2nc(C[NH+]3CCC(c4ccn[nH]4)CC3)cn2c1 ZINC000195507042 165371662 /nfs/dbraw/zinc/37/16/62/165371662.db2.gz CKZLTPGSWUBDBV-UHFFFAOYSA-N 1 2 315.808 3.090 10 0 DGAELO Cc1ccccc1-c1csc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)n1 ZINC000263098512 165835892 /nfs/dbraw/zinc/83/58/92/165835892.db2.gz ZEHLBIGAUAOJOF-LLVKDONJSA-N 1 2 323.368 3.054 10 0 DGAELO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000248611016 287159032 /nfs/dbraw/zinc/15/90/32/287159032.db2.gz IBNLYNKNQQCYNU-IGCXYCKISA-N 1 2 301.365 3.139 10 0 DGAELO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000248611016 287159033 /nfs/dbraw/zinc/15/90/33/287159033.db2.gz IBNLYNKNQQCYNU-IGCXYCKISA-N 1 2 301.365 3.139 10 0 DGAELO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000171679194 432160386 /nfs/dbraw/zinc/16/03/86/432160386.db2.gz LFAJJQUOZPNYJK-KRWDZBQOSA-N 1 2 323.371 3.321 10 0 DGAELO CCc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1C ZINC000182000138 432155163 /nfs/dbraw/zinc/15/51/63/432155163.db2.gz GFSXIRACNMYQGB-QGZVFWFLSA-N 1 2 312.417 3.450 10 0 DGAELO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1nccn1C ZINC000190443718 432157194 /nfs/dbraw/zinc/15/71/94/432157194.db2.gz IOOYOLDXWAKYIZ-JTQLQIEISA-N 1 2 324.222 3.042 10 0 DGAELO CCC(C)(C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246793585 432166987 /nfs/dbraw/zinc/16/69/87/432166987.db2.gz JLNADCPBIKFENX-UONOGXRCSA-N 1 2 324.490 3.062 10 0 DGAELO CCC(C)(C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246793585 432166992 /nfs/dbraw/zinc/16/69/92/432166992.db2.gz JLNADCPBIKFENX-UONOGXRCSA-N 1 2 324.490 3.062 10 0 DGAELO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171748091 432168523 /nfs/dbraw/zinc/16/85/23/432168523.db2.gz CXDKXBCJDMOIFB-NWDGAFQWSA-N 1 2 317.339 3.168 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3nc(C(C)(C)C)cs3)[C@@H]2C1 ZINC000246902932 432180123 /nfs/dbraw/zinc/18/01/23/432180123.db2.gz RMOKIXZHAOJQOG-MCIONIFRSA-N 1 2 324.490 3.209 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nc(C(C)(C)C)cs3)[C@@H]2C1 ZINC000246902932 432180126 /nfs/dbraw/zinc/18/01/26/432180126.db2.gz RMOKIXZHAOJQOG-MCIONIFRSA-N 1 2 324.490 3.209 10 0 DGAELO Cc1cc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)nc(-c2ccncc2)[nH+]1 ZINC000246919231 432180854 /nfs/dbraw/zinc/18/08/54/432180854.db2.gz MRYJLCQEBBPNKP-FVQBIDKESA-N 1 2 310.401 3.072 10 0 DGAELO Cc1cc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)nc(-c2ccncc2)[nH+]1 ZINC000246919264 432180870 /nfs/dbraw/zinc/18/08/70/432180870.db2.gz MRYJLCQEBBPNKP-NUEKZKHPSA-N 1 2 310.401 3.072 10 0 DGAELO Cc1ccc([C@@H]2C[N@H+](CCCC(=O)OC(C)(C)C)CCO2)o1 ZINC000182254699 432172723 /nfs/dbraw/zinc/17/27/23/432172723.db2.gz SSEHPOQFHZAMAR-HNNXBMFYSA-N 1 2 309.406 3.083 10 0 DGAELO Cc1ccc([C@@H]2C[N@@H+](CCCC(=O)OC(C)(C)C)CCO2)o1 ZINC000182254699 432172725 /nfs/dbraw/zinc/17/27/25/432172725.db2.gz SSEHPOQFHZAMAR-HNNXBMFYSA-N 1 2 309.406 3.083 10 0 DGAELO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)c3ccccc3Cl)CCO2)c1 ZINC000246946867 432183391 /nfs/dbraw/zinc/18/33/91/432183391.db2.gz BFQZJJIOQVWHSA-CABCVRRESA-N 1 2 319.836 3.307 10 0 DGAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)c3ccccc3Cl)CCO2)c1 ZINC000246946867 432183393 /nfs/dbraw/zinc/18/33/93/432183393.db2.gz BFQZJJIOQVWHSA-CABCVRRESA-N 1 2 319.836 3.307 10 0 DGAELO Cc1nn(C)cc1[C@@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000171988150 432189487 /nfs/dbraw/zinc/18/94/87/432189487.db2.gz SSRHDHCONNFXOR-GFCCVEGCSA-N 1 2 308.389 3.062 10 0 DGAELO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150830346 432195451 /nfs/dbraw/zinc/19/54/51/432195451.db2.gz ORSQMTHRIGCBBD-NSHDSACASA-N 1 2 311.426 3.092 10 0 DGAELO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150830346 432195454 /nfs/dbraw/zinc/19/54/54/432195454.db2.gz ORSQMTHRIGCBBD-NSHDSACASA-N 1 2 311.426 3.092 10 0 DGAELO Cc1nnc([C@H]([NH2+][C@H]2CCCc3occc32)c2ccccc2)[nH]1 ZINC000190937019 432203208 /nfs/dbraw/zinc/20/32/08/432203208.db2.gz CTKUZWQBPZQYLA-DOTOQJQBSA-N 1 2 308.385 3.463 10 0 DGAELO CSc1ccc(C(=O)NCc2[nH+]ccn2CC(C)C)cc1 ZINC000130862929 196116944 /nfs/dbraw/zinc/11/69/44/196116944.db2.gz MBRZZIAILXDKNC-UHFFFAOYSA-N 1 2 303.431 3.191 10 0 DGAELO C[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1nnc2n1CCCC2 ZINC000130943943 196125143 /nfs/dbraw/zinc/12/51/43/196125143.db2.gz HBYUVBJPYIFXIO-UWVGGRQHSA-N 1 2 324.350 3.444 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc(-n2cccc2)c1 ZINC000130958137 196127030 /nfs/dbraw/zinc/12/70/30/196127030.db2.gz NOFLNCMYPUCNHZ-UHFFFAOYSA-N 1 2 322.412 3.260 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)C1(c2ccccc2)CCC1 ZINC000131139234 196144000 /nfs/dbraw/zinc/14/40/00/196144000.db2.gz IKLLPBHNEWJJHW-UHFFFAOYSA-N 1 2 311.429 3.277 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc2ncccc2c1 ZINC000131301249 196158258 /nfs/dbraw/zinc/15/82/58/196158258.db2.gz PBDIVMXDNXVRAQ-UHFFFAOYSA-N 1 2 308.385 3.017 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC000131498124 196174870 /nfs/dbraw/zinc/17/48/70/196174870.db2.gz KANXVBIOTLCINX-UHFFFAOYSA-N 1 2 315.461 3.228 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(F)c(Cl)c3)[C@H]2C1 ZINC000247277826 432218342 /nfs/dbraw/zinc/21/83/42/432218342.db2.gz YKKXLBSRZKAIFR-KCXAZCMYSA-N 1 2 313.800 3.247 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(F)c(Cl)c3)[C@H]2C1 ZINC000247277826 432218347 /nfs/dbraw/zinc/21/83/47/432218347.db2.gz YKKXLBSRZKAIFR-KCXAZCMYSA-N 1 2 313.800 3.247 10 0 DGAELO CCC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000131910679 196210005 /nfs/dbraw/zinc/21/00/05/196210005.db2.gz VBZYJDMLBZFTKG-GOSISDBHSA-N 1 2 324.424 3.391 10 0 DGAELO C[C@@H]([NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)NC1CC1 ZINC000134844481 196422975 /nfs/dbraw/zinc/42/29/75/196422975.db2.gz RVGMMGBGANEOTE-HTQZYQBOSA-N 1 2 319.207 3.450 10 0 DGAELO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1nsc(N(C)C)n1 ZINC000178919117 228348141 /nfs/dbraw/zinc/34/81/41/228348141.db2.gz DVAKDBURURPHMK-AWEZNQCLSA-N 1 2 302.447 3.250 10 0 DGAELO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000178919117 228348143 /nfs/dbraw/zinc/34/81/43/228348143.db2.gz DVAKDBURURPHMK-AWEZNQCLSA-N 1 2 302.447 3.250 10 0 DGAELO Cc1ccccc1NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000182862992 228370646 /nfs/dbraw/zinc/37/06/46/228370646.db2.gz GRNIWZFOONELFG-UHFFFAOYSA-N 1 2 312.417 3.442 10 0 DGAELO C[NH+](C)Cc1cccc(NC(=O)c2cc(F)c(O)c(Cl)c2)c1 ZINC000184251769 228381336 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C[C@H]1C[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)CC(C)(C)C1 ZINC000182813738 432232069 /nfs/dbraw/zinc/23/20/69/432232069.db2.gz UJQVDOLRQMWHCB-LSDHHAIUSA-N 1 2 313.445 3.455 10 0 DGAELO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(OC)c(OC)c2OC)C12CCC2 ZINC000182879082 432238077 /nfs/dbraw/zinc/23/80/77/432238077.db2.gz RYEXFMOKTWFESX-HUUCEWRRSA-N 1 2 321.417 3.472 10 0 DGAELO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247531930 432239950 /nfs/dbraw/zinc/23/99/50/432239950.db2.gz OHIBBPCGDHKDOH-CJNGLKHVSA-N 1 2 323.400 3.368 10 0 DGAELO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247531930 432239955 /nfs/dbraw/zinc/23/99/55/432239955.db2.gz OHIBBPCGDHKDOH-CJNGLKHVSA-N 1 2 323.400 3.368 10 0 DGAELO c1ccc(N2CCC(CNc3cc[nH+]c4ccncc34)CC2)cc1 ZINC000359839952 270998445 /nfs/dbraw/zinc/99/84/45/270998445.db2.gz RQGVVVLZPIVIPT-UHFFFAOYSA-N 1 2 318.424 3.380 10 0 DGAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191337126 432252848 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ZINC000245977138 432873250 /nfs/dbraw/zinc/87/32/50/432873250.db2.gz XHIJXWNUSMASOI-KGLIPLIRSA-N 1 2 316.401 3.350 10 0 DGAELO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000329950714 432884309 /nfs/dbraw/zinc/88/43/09/432884309.db2.gz CIFNGYGIYBAGNH-JTQLQIEISA-N 1 2 305.403 3.262 10 0 DGAELO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000329950714 432884311 /nfs/dbraw/zinc/88/43/11/432884311.db2.gz CIFNGYGIYBAGNH-JTQLQIEISA-N 1 2 305.403 3.262 10 0 DGAELO CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000245555414 432842850 /nfs/dbraw/zinc/84/28/50/432842850.db2.gz RPDRDYBPTSHYPJ-BRWVUGGUSA-N 1 2 303.450 3.337 10 0 DGAELO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245646489 432853030 /nfs/dbraw/zinc/85/30/30/432853030.db2.gz CFWJSIQGZRSCDP-AFAVFJNCSA-N 1 2 320.383 3.183 10 0 DGAELO C[N@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245646489 432853032 /nfs/dbraw/zinc/85/30/32/432853032.db2.gz CFWJSIQGZRSCDP-AFAVFJNCSA-N 1 2 320.383 3.183 10 0 DGAELO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(C(C)C)[nH]2)C12CCCC2 ZINC000330336526 432905002 /nfs/dbraw/zinc/90/50/02/432905002.db2.gz ZNBVNGIHLFARTE-ZIAGYGMSSA-N 1 2 306.454 3.098 10 0 DGAELO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(C(C)C)[nH]2)C12CCCC2 ZINC000330336526 432905005 /nfs/dbraw/zinc/90/50/05/432905005.db2.gz ZNBVNGIHLFARTE-ZIAGYGMSSA-N 1 2 306.454 3.098 10 0 DGAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H]1CCc3ccccc31)CCC2 ZINC000332691471 433012574 /nfs/dbraw/zinc/01/25/74/433012574.db2.gz SSZWDQPLKRNEDU-NVXWUHKLSA-N 1 2 324.428 3.056 10 0 DGAELO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332841087 433021428 /nfs/dbraw/zinc/02/14/28/433021428.db2.gz CQQYSBIVTNPJMZ-CTASWTNQSA-N 1 2 318.465 3.027 10 0 DGAELO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332841087 433021432 /nfs/dbraw/zinc/02/14/32/433021432.db2.gz CQQYSBIVTNPJMZ-CTASWTNQSA-N 1 2 318.465 3.027 10 0 DGAELO Cc1cc(Cl)cnc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000333229133 433042227 /nfs/dbraw/zinc/04/22/27/433042227.db2.gz XSKNHFKMUMJJBI-ONGXEEELSA-N 1 2 305.769 3.067 10 0 DGAELO c1c(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)[nH]nc1-c1ccccc1 ZINC000354712964 433232138 /nfs/dbraw/zinc/23/21/38/433232138.db2.gz TYHBFRJNTJVPGG-OALUTQOASA-N 1 2 309.413 3.220 10 0 DGAELO c1c(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)[nH]nc1-c1ccccc1 ZINC000354712964 433232146 /nfs/dbraw/zinc/23/21/46/433232146.db2.gz TYHBFRJNTJVPGG-OALUTQOASA-N 1 2 309.413 3.220 10 0 DGAELO O[C@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C2(CCC2)C1 ZINC000420996738 433371555 /nfs/dbraw/zinc/37/15/55/433371555.db2.gz QXFJQUOPPOYUIC-LBPRGKRZSA-N 1 2 321.371 3.311 10 0 DGAELO O[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C2(CCC2)C1 ZINC000420996738 433371558 /nfs/dbraw/zinc/37/15/58/433371558.db2.gz QXFJQUOPPOYUIC-LBPRGKRZSA-N 1 2 321.371 3.311 10 0 DGAELO c1nc(-c2ccccc2)sc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000375322099 433427628 /nfs/dbraw/zinc/42/76/28/433427628.db2.gz ZBDGFKNIZPANJB-INIZCTEOSA-N 1 2 300.427 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XYDLCUUWFYARCP-GFCCVEGCSA-N 1 2 301.390 3.286 10 0 DGAELO CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000301376219 433531251 /nfs/dbraw/zinc/53/12/51/433531251.db2.gz VXFZLWGLLDVYKZ-ZIAGYGMSSA-N 1 2 304.415 3.003 10 0 DGAELO Cc1nsc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000301402413 433537099 /nfs/dbraw/zinc/53/70/99/433537099.db2.gz RGHRYNDMQIJJHU-LLVKDONJSA-N 1 2 324.400 3.201 10 0 DGAELO Cc1nsc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000301402413 433537109 /nfs/dbraw/zinc/53/71/09/433537109.db2.gz RGHRYNDMQIJJHU-LLVKDONJSA-N 1 2 324.400 3.201 10 0 DGAELO c1coc([C@H]2COCCN2Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000375797423 433565103 /nfs/dbraw/zinc/56/51/03/433565103.db2.gz UVLTZFYETQOAMT-QGZVFWFLSA-N 1 2 323.396 3.098 10 0 DGAELO COc1cccc(OCCNc2cc[nH+]c(C(C)(C)C)n2)c1 ZINC000301500910 433582466 /nfs/dbraw/zinc/58/24/66/433582466.db2.gz DUGLOVKLZMQORF-UHFFFAOYSA-N 1 2 301.390 3.274 10 0 DGAELO Cc1cc(C)c(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c[nH+]1 ZINC000455569020 433544336 /nfs/dbraw/zinc/54/43/36/433544336.db2.gz KBUITWRVVRSAJF-AAEUAGOBSA-N 1 2 315.339 3.181 10 0 DGAELO c1n[nH]c2c1[C@@H]([NH2+]Cc1ccnc(OC3CCCC3)c1)CCC2 ZINC000375859895 433595172 /nfs/dbraw/zinc/59/51/72/433595172.db2.gz GBBVLVBSHUCJQF-INIZCTEOSA-N 1 2 312.417 3.293 10 0 DGAELO CSC1(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CCC1 ZINC000376086854 433663891 /nfs/dbraw/zinc/66/38/91/433663891.db2.gz VUJHVEKVSJXFOZ-LBPRGKRZSA-N 1 2 321.490 3.040 10 0 DGAELO CSC1(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CCC1 ZINC000376086854 433663895 /nfs/dbraw/zinc/66/38/95/433663895.db2.gz VUJHVEKVSJXFOZ-LBPRGKRZSA-N 1 2 321.490 3.040 10 0 DGAELO Cc1ncccc1C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000367371812 293063069 /nfs/dbraw/zinc/06/30/69/293063069.db2.gz NOGIOWRZVBDDOK-SFHVURJKSA-N 1 2 310.376 3.142 10 0 DGAELO Cc1csc(NC(=O)C[N@@H+]2CCc3c(C)cc(C)cc3C2)n1 ZINC000362582399 433769348 /nfs/dbraw/zinc/76/93/48/433769348.db2.gz YDUHFNWKRVZNIS-UHFFFAOYSA-N 1 2 315.442 3.065 10 0 DGAELO Cc1csc(NC(=O)C[N@H+]2CCc3c(C)cc(C)cc3C2)n1 ZINC000362582399 433769355 /nfs/dbraw/zinc/76/93/55/433769355.db2.gz YDUHFNWKRVZNIS-UHFFFAOYSA-N 1 2 315.442 3.065 10 0 DGAELO CC(=O)c1ccccc1OCC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339772029 433771124 /nfs/dbraw/zinc/77/11/24/433771124.db2.gz OZYRSOWXXJOMTQ-KRWDZBQOSA-N 1 2 317.429 3.159 10 0 DGAELO CC(=O)c1ccccc1OCC[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339772029 433771131 /nfs/dbraw/zinc/77/11/31/433771131.db2.gz OZYRSOWXXJOMTQ-KRWDZBQOSA-N 1 2 317.429 3.159 10 0 DGAELO CN1CC[C@H](CNc2cc(N3CCCC3)nc[nH+]2)c2ccccc21 ZINC000302876675 433895704 /nfs/dbraw/zinc/89/57/04/433895704.db2.gz FRSOEWXMSBAPCO-OAHLLOKOSA-N 1 2 323.444 3.112 10 0 DGAELO CN1CC[C@H](CNc2cc(N3CCCC3)[nH+]cn2)c2ccccc21 ZINC000302876675 433895714 /nfs/dbraw/zinc/89/57/14/433895714.db2.gz FRSOEWXMSBAPCO-OAHLLOKOSA-N 1 2 323.444 3.112 10 0 DGAELO CC(C)Cc1ccc([C@H](C)Nc2nc3c(cnn3C)c(N)[nH+]2)cc1 ZINC000302830690 433878684 /nfs/dbraw/zinc/87/86/84/433878684.db2.gz KPIVFZZDRKVFTD-LBPRGKRZSA-N 1 2 324.432 3.317 10 0 DGAELO O=C(CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000302830178 433879031 /nfs/dbraw/zinc/87/90/31/433879031.db2.gz NAGLYTDKYLRJIM-UHFFFAOYSA-N 1 2 322.452 3.467 10 0 DGAELO Cn1ncc2c1nc(NC1CCC(c3ccccc3)CC1)[nH+]c2N ZINC000302859179 433886247 /nfs/dbraw/zinc/88/62/47/433886247.db2.gz UBMDLAVDYJOIOI-UHFFFAOYSA-N 1 2 322.416 3.084 10 0 DGAELO c1cc([C@H]2CCCCN2Cc2c[nH+]cn2Cc2ccccc2)n[nH]1 ZINC000352214139 433982237 /nfs/dbraw/zinc/98/22/37/433982237.db2.gz YDVBWDZOKJCAPF-LJQANCHMSA-N 1 2 321.428 3.382 10 0 DGAELO Fc1cc2c(c(F)c1)[C@@H]([NH2+]Cc1ccc(-c3cc[nH]n3)o1)CO2 ZINC000378196015 434109020 /nfs/dbraw/zinc/10/90/20/434109020.db2.gz GVNTVAILUKDFKH-ZDUSSCGKSA-N 1 2 317.295 3.171 10 0 DGAELO Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000286258682 434211083 /nfs/dbraw/zinc/21/10/83/434211083.db2.gz MZIJWEOKPCPXSJ-OAHLLOKOSA-N 1 2 315.421 3.106 10 0 DGAELO Cc1nn(C)cc1C[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000286258682 434211095 /nfs/dbraw/zinc/21/10/95/434211095.db2.gz MZIJWEOKPCPXSJ-OAHLLOKOSA-N 1 2 315.421 3.106 10 0 DGAELO CN(c1ccccc1)c1ccc(C[N@H+](C)Cc2cnccn2)cn1 ZINC000437144962 434223450 /nfs/dbraw/zinc/22/34/50/434223450.db2.gz SBDXTELGWDXPFG-UHFFFAOYSA-N 1 2 319.412 3.272 10 0 DGAELO CN(c1ccccc1)c1ccc(C[N@@H+](C)Cc2cnccn2)cn1 ZINC000437144962 434223461 /nfs/dbraw/zinc/22/34/61/434223461.db2.gz SBDXTELGWDXPFG-UHFFFAOYSA-N 1 2 319.412 3.272 10 0 DGAELO c1ccc2c(c1)CO[C@@]21CC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000450750171 434388612 /nfs/dbraw/zinc/38/86/12/434388612.db2.gz BGZGAEDENMOPPP-QGZVFWFLSA-N 1 2 313.426 3.047 10 0 DGAELO c1ccc2c(c1)CO[C@@]21CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000450750171 434388617 /nfs/dbraw/zinc/38/86/17/434388617.db2.gz BGZGAEDENMOPPP-QGZVFWFLSA-N 1 2 313.426 3.047 10 0 DGAELO C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(F)cc1 ZINC000393333163 434391076 /nfs/dbraw/zinc/39/10/76/434391076.db2.gz RQOZPGHYFSTQMU-SECBINFHSA-N 1 2 312.186 3.173 10 0 DGAELO c1ccc(OC[C@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000450703657 434352749 /nfs/dbraw/zinc/35/27/49/434352749.db2.gz CXFDJCLKPYJLTR-ZDUSSCGKSA-N 1 2 315.442 3.316 10 0 DGAELO c1ccc(OC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000450703657 434352759 /nfs/dbraw/zinc/35/27/59/434352759.db2.gz CXFDJCLKPYJLTR-ZDUSSCGKSA-N 1 2 315.442 3.316 10 0 DGAELO c1ccc(OC[C@@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000450703656 434354289 /nfs/dbraw/zinc/35/42/89/434354289.db2.gz CXFDJCLKPYJLTR-CYBMUJFWSA-N 1 2 315.442 3.316 10 0 DGAELO c1ccc(OC[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)cc1 ZINC000450703656 434354301 /nfs/dbraw/zinc/35/43/01/434354301.db2.gz CXFDJCLKPYJLTR-CYBMUJFWSA-N 1 2 315.442 3.316 10 0 DGAELO c1[nH+]cn(Cc2ccccc2)c1Cn1nc(C2CC2)nc1C1CC1 ZINC000438306728 434447250 /nfs/dbraw/zinc/44/72/50/434447250.db2.gz QEYPWCYNAYDHEY-UHFFFAOYSA-N 1 2 319.412 3.326 10 0 DGAELO COCC1(c2noc([C@H]3CCC[N@@H+]3C3CC3)n2)CCCCC1 ZINC000329537886 434427341 /nfs/dbraw/zinc/42/73/41/434427341.db2.gz VCWXVYWEXKWZEI-CQSZACIVSA-N 1 2 305.422 3.217 10 0 DGAELO COCC1(c2noc([C@H]3CCC[N@H+]3C3CC3)n2)CCCCC1 ZINC000329537886 434427351 /nfs/dbraw/zinc/42/73/51/434427351.db2.gz VCWXVYWEXKWZEI-CQSZACIVSA-N 1 2 305.422 3.217 10 0 DGAELO c1nc2c(s1)C[N@H+](Cc1cnc(-c3ccncc3)s1)CC2 ZINC000438358892 434467962 /nfs/dbraw/zinc/46/79/62/434467962.db2.gz RDTMKWNISCLZHP-UHFFFAOYSA-N 1 2 314.439 3.220 10 0 DGAELO c1nc2c(s1)C[N@@H+](Cc1cnc(-c3ccncc3)s1)CC2 ZINC000438358892 434467971 /nfs/dbraw/zinc/46/79/71/434467971.db2.gz RDTMKWNISCLZHP-UHFFFAOYSA-N 1 2 314.439 3.220 10 0 DGAELO c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+]3CC[C@H]3CCCO3)n2)cc1 ZINC000526056670 295053493 /nfs/dbraw/zinc/05/34/93/295053493.db2.gz LTQMCZBXWFMFOP-CVEARBPZSA-N 1 2 312.417 3.178 10 0 DGAELO c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+]3CC[C@H]3CCCO3)n2)cc1 ZINC000526056670 295053494 /nfs/dbraw/zinc/05/34/94/295053494.db2.gz LTQMCZBXWFMFOP-CVEARBPZSA-N 1 2 312.417 3.178 10 0 DGAELO Cc1ccc(-c2noc(C[NH+]3CC(C)(C)OC(C)(C)C3)n2)cc1 ZINC000526949797 295064649 /nfs/dbraw/zinc/06/46/49/295064649.db2.gz IBBLTUYHJDUJRI-UHFFFAOYSA-N 1 2 315.417 3.434 10 0 DGAELO c1cc(-c2nc(C[NH2+][C@@H](c3cccnc3)C3CC3)no2)cs1 ZINC000527327410 295091836 /nfs/dbraw/zinc/09/18/36/295091836.db2.gz PNYLDORKZAVGMS-OAHLLOKOSA-N 1 2 312.398 3.434 10 0 DGAELO Cc1ccc(NC(=O)N[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c(C)[nH+]1 ZINC000408448459 434576194 /nfs/dbraw/zinc/57/61/94/434576194.db2.gz VHUDRJALHBPYJJ-SGTLLEGYSA-N 1 2 319.449 3.397 10 0 DGAELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Br)c(F)c1F ZINC000528520236 295222450 /nfs/dbraw/zinc/22/24/50/295222450.db2.gz NWLUGPCUFISZSS-GZMMTYOYSA-N 1 2 320.177 3.073 10 0 DGAELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Br)c(F)c1F ZINC000528520236 295222451 /nfs/dbraw/zinc/22/24/51/295222451.db2.gz NWLUGPCUFISZSS-GZMMTYOYSA-N 1 2 320.177 3.073 10 0 DGAELO c1cnn(CCCNc2[nH+]cccc2OCc2ccccc2)c1 ZINC000354074371 434606028 /nfs/dbraw/zinc/60/60/28/434606028.db2.gz FLNOVYWFDXERKY-UHFFFAOYSA-N 1 2 308.385 3.359 10 0 DGAELO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C3CC3)cc2)no1 ZINC000459561258 434606762 /nfs/dbraw/zinc/60/67/62/434606762.db2.gz LCSVNPCVJBLILI-UHFFFAOYSA-N 1 2 314.385 3.364 10 0 DGAELO C[C@@H]1CCOCC[N@@H+]1CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000360791350 434696071 /nfs/dbraw/zinc/69/60/71/434696071.db2.gz FUTNXZXOZAMUFH-CZUORRHYSA-N 1 2 324.490 3.062 10 0 DGAELO C[C@@H]1CCOCC[N@H+]1CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000360791350 434696077 /nfs/dbraw/zinc/69/60/77/434696077.db2.gz FUTNXZXOZAMUFH-CZUORRHYSA-N 1 2 324.490 3.062 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC(C)(C)[C@H]1C1CC1)C2 ZINC000460972213 434866564 /nfs/dbraw/zinc/86/65/64/434866564.db2.gz RIERONRXDSFBOZ-XJKSGUPXSA-N 1 2 315.461 3.285 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC(C)(C)[C@H]1C1CC1)CC2 ZINC000460972213 434866566 /nfs/dbraw/zinc/86/65/66/434866566.db2.gz RIERONRXDSFBOZ-XJKSGUPXSA-N 1 2 315.461 3.285 10 0 DGAELO CO[C@@H]1CC[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000554731997 434945148 /nfs/dbraw/zinc/94/51/48/434945148.db2.gz KQPMTPOWCFJURF-DZGCQCFKSA-N 1 2 312.369 3.171 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000574356594 434971289 /nfs/dbraw/zinc/97/12/89/434971289.db2.gz KHIJCHQJKVMBHU-HZPDHXFCSA-N 1 2 319.449 3.366 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000574356594 434971293 /nfs/dbraw/zinc/97/12/93/434971293.db2.gz KHIJCHQJKVMBHU-HZPDHXFCSA-N 1 2 319.449 3.366 10 0 DGAELO CCCCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C1CC1 ZINC000474711562 435157790 /nfs/dbraw/zinc/15/77/90/435157790.db2.gz TUBVGYXAJVSQAH-ZDUSSCGKSA-N 1 2 303.450 3.429 10 0 DGAELO CCCCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C1CC1 ZINC000474711562 435157794 /nfs/dbraw/zinc/15/77/94/435157794.db2.gz TUBVGYXAJVSQAH-ZDUSSCGKSA-N 1 2 303.450 3.429 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC(C3CCCC3)C1)C2 ZINC000477919168 435285292 /nfs/dbraw/zinc/28/52/92/435285292.db2.gz WXEQVMVBEAUKOU-CQSZACIVSA-N 1 2 315.461 3.287 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC(C3CCCC3)C1)CC2 ZINC000477919168 435285298 /nfs/dbraw/zinc/28/52/98/435285298.db2.gz WXEQVMVBEAUKOU-CQSZACIVSA-N 1 2 315.461 3.287 10 0 DGAELO FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000535566845 435336571 /nfs/dbraw/zinc/33/65/71/435336571.db2.gz KSTTYVMOWUVNKT-LLVKDONJSA-N 1 2 304.312 3.095 10 0 DGAELO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000535566845 435336575 /nfs/dbraw/zinc/33/65/75/435336575.db2.gz KSTTYVMOWUVNKT-LLVKDONJSA-N 1 2 304.312 3.095 10 0 DGAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2ncc(-c3ccccc3)o2)C1 ZINC000643859643 435375214 /nfs/dbraw/zinc/37/52/14/435375214.db2.gz MFJMXDLCNXXWBL-CABCVRRESA-N 1 2 324.384 3.027 10 0 DGAELO c1ccc2[nH+]c([C@H]3CCC[C@H](Nc4nnc(C5CC5)o4)C3)[nH]c2c1 ZINC000569719900 435557180 /nfs/dbraw/zinc/55/71/80/435557180.db2.gz XDNQSFUAUGUCMG-STQMWFEESA-N 1 2 323.400 3.962 10 0 DGAELO Cc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1Br ZINC000485686476 435575318 /nfs/dbraw/zinc/57/53/18/435575318.db2.gz TWRQIOJULKWAIW-HNNXBMFYSA-N 1 2 310.235 3.368 10 0 DGAELO Cc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1Br ZINC000485686476 435575323 /nfs/dbraw/zinc/57/53/23/435575323.db2.gz TWRQIOJULKWAIW-HNNXBMFYSA-N 1 2 310.235 3.368 10 0 DGAELO CC(=O)c1c(C)cc(C)c(CSC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000570161625 435594365 /nfs/dbraw/zinc/59/43/65/435594365.db2.gz UDGITYPZNSIKGP-INIZCTEOSA-N 1 2 321.486 3.378 10 0 DGAELO CC(=O)c1c(C)cc(C)c(CSC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000570161625 435594368 /nfs/dbraw/zinc/59/43/68/435594368.db2.gz UDGITYPZNSIKGP-INIZCTEOSA-N 1 2 321.486 3.378 10 0 DGAELO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCCC1CC1 ZINC000571262786 435693184 /nfs/dbraw/zinc/69/31/84/435693184.db2.gz RMIMNZDBKXNLFE-OAHLLOKOSA-N 1 2 304.438 3.330 10 0 DGAELO CCC(CC)([NH2+]Cc1ccc(Br)s1)C(=O)OC ZINC000549169494 435746060 /nfs/dbraw/zinc/74/60/60/435746060.db2.gz WTFOQAVQVADVMI-UHFFFAOYSA-N 1 2 320.252 3.332 10 0 DGAELO Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(N)[nH+]c2)cc1 ZINC000262551697 301843017 /nfs/dbraw/zinc/84/30/17/301843017.db2.gz RWGAWDNJZNHMNZ-NVXWUHKLSA-N 1 2 311.385 3.079 10 0 DGAELO Cc1cccnc1[C@H]([NH2+]Cc1nnc(C(C)C)n1C)C(C)C ZINC000172820026 312754038 /nfs/dbraw/zinc/75/40/38/312754038.db2.gz UJJKVDLYBKRPCQ-OAHLLOKOSA-N 1 2 301.438 3.129 10 0 DGAELO Cc1nc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)sc1C ZINC000178182129 312787263 /nfs/dbraw/zinc/78/72/63/312787263.db2.gz YIFUIGYUYWHSMM-GFCCVEGCSA-N 1 2 313.430 3.191 10 0 DGAELO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nnc(C)n1CC ZINC000179734102 312814877 /nfs/dbraw/zinc/81/48/77/312814877.db2.gz MHHNLYQKDWVSJI-HNNXBMFYSA-N 1 2 302.422 3.246 10 0 DGAELO Cc1ccncc1C[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000376571776 312966138 /nfs/dbraw/zinc/96/61/38/312966138.db2.gz QPVXCOPJZBGIDS-KRWDZBQOSA-N 1 2 310.376 3.142 10 0 DGAELO c1ccc([C@@H]([NH2+]Cc2nnc(C3CC3)s2)C2CCC2)nc1 ZINC000528650424 313051157 /nfs/dbraw/zinc/05/11/57/313051157.db2.gz BWOPGNKUUKRSDD-HNNXBMFYSA-N 1 2 300.431 3.442 10 0 DGAELO c1nc(C[NH2+][C@H](c2ccccn2)C2CCC2)n(-c2ccccc2)n1 ZINC000528661537 313054243 /nfs/dbraw/zinc/05/42/43/313054243.db2.gz UGOHXJNKLOKSPG-IBGZPJMESA-N 1 2 319.412 3.293 10 0 DGAELO Cc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c(C)n1 ZINC000530299631 313356416 /nfs/dbraw/zinc/35/64/16/313356416.db2.gz LRNXBCIMDUVMKS-ZDUSSCGKSA-N 1 2 312.417 3.289 10 0 DGAELO Cc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c(C)n1 ZINC000530299631 313356419 /nfs/dbraw/zinc/35/64/19/313356419.db2.gz LRNXBCIMDUVMKS-ZDUSSCGKSA-N 1 2 312.417 3.289 10 0 DGAELO Cc1nc(CC2CC2)oc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000530558865 313384514 /nfs/dbraw/zinc/38/45/14/313384514.db2.gz SYGKJFKGKUGTBF-UHFFFAOYSA-N 1 2 322.368 3.374 10 0 DGAELO Ic1ccc(C[N@@H+]2CCC23CCC3)cc1 ZINC000530701313 313398094 /nfs/dbraw/zinc/39/80/94/313398094.db2.gz GIVJEXBKMMUSHR-UHFFFAOYSA-N 1 2 313.182 3.420 10 0 DGAELO Ic1ccc(C[N@H+]2CCC23CCC3)cc1 ZINC000530701313 313398096 /nfs/dbraw/zinc/39/80/96/313398096.db2.gz GIVJEXBKMMUSHR-UHFFFAOYSA-N 1 2 313.182 3.420 10 0 DGAELO Cc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)oc1C ZINC000532009829 313510951 /nfs/dbraw/zinc/51/09/51/313510951.db2.gz MRYOUHZVTLMYOQ-UHFFFAOYSA-N 1 2 309.369 3.071 10 0 DGAELO CC(C)[C@H]([NH2+]CCOc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000542582390 314086621 /nfs/dbraw/zinc/08/66/21/314086621.db2.gz VVVDFDUHAQSRJY-HNNXBMFYSA-N 1 2 311.397 3.160 10 0 DGAELO COCCC(C)(C)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000544739082 314208708 /nfs/dbraw/zinc/20/87/08/314208708.db2.gz FKYCSRLBLIHNSL-UHFFFAOYSA-N 1 2 312.373 3.236 10 0 DGAELO C[C@@H]1CC[C@@H](CCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)O1 ZINC000547106637 314344475 /nfs/dbraw/zinc/34/44/75/314344475.db2.gz KZUWIBBNNHSVMD-CJNGLKHVSA-N 1 2 324.384 3.422 10 0 DGAELO Brc1c[nH]nc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000564808581 315201505 /nfs/dbraw/zinc/20/15/05/315201505.db2.gz NIMPDTRNWZYYCG-UHFFFAOYSA-N 1 2 306.207 3.339 10 0 DGAELO Cc1nc(C2([NH2+]CCO[C@@H]3CCCCO3)CCCCCC2)no1 ZINC000576099016 316094125 /nfs/dbraw/zinc/09/41/25/316094125.db2.gz 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UWWUWXGAPUHOJU-OLZOCXBDSA-N 1 2 322.359 3.455 10 0 DGAELO CC[C@H]([NH2+]Cc1nnc(C)n1C1CC1)c1cc(F)ccc1F ZINC000179777048 432070421 /nfs/dbraw/zinc/07/04/21/432070421.db2.gz BCTUPQGIVNVLHA-HNNXBMFYSA-N 1 2 306.360 3.441 10 0 DGAELO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)CSC)CC1 ZINC000180131481 199121297 /nfs/dbraw/zinc/12/12/97/199121297.db2.gz CEZPRAOWFPEUKM-UHFFFAOYSA-N 1 2 317.458 3.125 10 0 DGAELO CCCCc1noc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)n1 ZINC000180830437 199215632 /nfs/dbraw/zinc/21/56/32/199215632.db2.gz IVAQUEGVLDXACH-GFCCVEGCSA-N 1 2 319.405 3.280 10 0 DGAELO CCn1cc([C@H](C)[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cn1 ZINC000180859357 199220075 /nfs/dbraw/zinc/22/00/75/199220075.db2.gz NRWCJTKXZHTYLC-SMDDNHRTSA-N 1 2 303.410 3.211 10 0 DGAELO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(C(C)C)n1C ZINC000170785734 432081793 /nfs/dbraw/zinc/08/17/93/432081793.db2.gz QUFPKDBPWPIIFL-OAHLLOKOSA-N 1 2 314.433 3.284 10 0 DGAELO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nnc(C(C)C)n1C ZINC000170785734 432081795 /nfs/dbraw/zinc/08/17/95/432081795.db2.gz QUFPKDBPWPIIFL-OAHLLOKOSA-N 1 2 314.433 3.284 10 0 DGAELO Cc1cc(C)c(CC(=O)NCc2[nH+]ccn2CC(C)C)c(C)c1 ZINC000180259402 432083006 /nfs/dbraw/zinc/08/30/06/432083006.db2.gz YSHJDKSDEXSOMC-UHFFFAOYSA-N 1 2 313.445 3.323 10 0 DGAELO Cc1nccnc1[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000188232962 200213827 /nfs/dbraw/zinc/21/38/27/200213827.db2.gz KRWCCIDHJJWORN-GFCCVEGCSA-N 1 2 311.414 3.154 10 0 DGAELO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)oc1C ZINC000189794446 432090963 /nfs/dbraw/zinc/09/09/63/432090963.db2.gz ZDPKXAYEQGWZBH-HNNXBMFYSA-N 1 2 320.414 3.477 10 0 DGAELO COC(=O)c1cc(C[N@H+]2CCC[C@H]2c2csc(C)n2)oc1C ZINC000189794446 432090968 /nfs/dbraw/zinc/09/09/68/432090968.db2.gz ZDPKXAYEQGWZBH-HNNXBMFYSA-N 1 2 320.414 3.477 10 0 DGAELO c1cc(-c2ccc(C[NH2+]Cc3ccn(C4CCCC4)n3)o2)n[nH]1 ZINC000433345658 238156654 /nfs/dbraw/zinc/15/66/54/238156654.db2.gz YFJNBVMMCDWHIL-UHFFFAOYSA-N 1 2 311.389 3.271 10 0 DGAELO Cc1cncc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000189833106 432095936 /nfs/dbraw/zinc/09/59/36/432095936.db2.gz WPQXMCFFDUCBNI-INIZCTEOSA-N 1 2 311.433 3.045 10 0 DGAELO Cc1cncc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000189833106 432095939 /nfs/dbraw/zinc/09/59/39/432095939.db2.gz WPQXMCFFDUCBNI-INIZCTEOSA-N 1 2 311.433 3.045 10 0 DGAELO COC[C@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000193696405 201106632 /nfs/dbraw/zinc/10/66/32/201106632.db2.gz OPGHLBOUPRUGKA-ZDUSSCGKSA-N 1 2 300.358 3.403 10 0 DGAELO COC[C@H]([NH2+]Cc1nnc(C(C)C)n1C)c1ccc(Cl)cc1 ZINC000193663142 201097390 /nfs/dbraw/zinc/09/73/90/201097390.db2.gz MIHPFBXRPFWRMZ-AWEZNQCLSA-N 1 2 322.840 3.069 10 0 DGAELO COc1cc(C[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)ccc1C ZINC000193847779 201132244 /nfs/dbraw/zinc/13/22/44/201132244.db2.gz OFGANVZOSUYYFX-INIZCTEOSA-N 1 2 318.442 3.342 10 0 DGAELO COc1cc(C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)ccc1C ZINC000193847779 201132248 /nfs/dbraw/zinc/13/22/48/201132248.db2.gz OFGANVZOSUYYFX-INIZCTEOSA-N 1 2 318.442 3.342 10 0 DGAELO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000155273825 296044603 /nfs/dbraw/zinc/04/46/03/296044603.db2.gz INRTZGMPBVOJMF-MLHJIOFPSA-N 1 2 315.461 3.481 10 0 DGAELO CCCOc1cccc2c(N[C@H]3CCC(=O)N(C)C3)cc[nH+]c12 ZINC000194718785 201277278 /nfs/dbraw/zinc/27/72/78/201277278.db2.gz LBGFZZIWGQKFFJ-ZDUSSCGKSA-N 1 2 313.401 3.056 10 0 DGAELO C[C@@H](C[NH2+]Cc1nnc(COc2ccccc2)[nH]1)c1ccccc1 ZINC000194714215 201277638 /nfs/dbraw/zinc/27/76/38/201277638.db2.gz YRENKEKIGSFIER-HNNXBMFYSA-N 1 2 322.412 3.277 10 0 DGAELO CCCc1nc(CN[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000189894976 432101920 /nfs/dbraw/zinc/10/19/20/432101920.db2.gz HPADNUOPJGZXJX-ZDUSSCGKSA-N 1 2 311.389 3.059 10 0 DGAELO Cc1nc(CN2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)cs1 ZINC000275465540 212352325 /nfs/dbraw/zinc/35/23/25/212352325.db2.gz HJYBJXZTJVCVKF-MRXNPFEDSA-N 1 2 316.474 3.401 10 0 DGAELO c1nn2ccccc2c1C[N@@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000275413375 212318221 /nfs/dbraw/zinc/31/82/21/212318221.db2.gz DFSAFMFIVTVYHX-SFHVURJKSA-N 1 2 321.428 3.273 10 0 DGAELO c1nn2ccccc2c1C[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000275413375 212318223 /nfs/dbraw/zinc/31/82/23/212318223.db2.gz DFSAFMFIVTVYHX-SFHVURJKSA-N 1 2 321.428 3.273 10 0 DGAELO c1nn2ccccc2c1CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275413375 212318224 /nfs/dbraw/zinc/31/82/24/212318224.db2.gz DFSAFMFIVTVYHX-SFHVURJKSA-N 1 2 321.428 3.273 10 0 DGAELO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cccc3ccoc32)no1 ZINC000449332191 240137584 /nfs/dbraw/zinc/13/75/84/240137584.db2.gz CEJOPCKBXMSGGS-UHFFFAOYSA-N 1 2 314.341 3.232 10 0 DGAELO Cc1nc(C[NH2+]Cc2scnc2C)sc1Br ZINC000449401228 240176588 /nfs/dbraw/zinc/17/65/88/240176588.db2.gz LZFLTXKMJUIPKT-UHFFFAOYSA-N 1 2 318.265 3.269 10 0 DGAELO CCO[C@@H]1CC[N@H+](Cc2ncc(Br)s2)C[C@H]1C ZINC000449508276 240256215 /nfs/dbraw/zinc/25/62/15/240256215.db2.gz UXNDXBFRDZETBT-NXEZZACHSA-N 1 2 319.268 3.153 10 0 DGAELO CCO[C@@H]1CC[N@@H+](Cc2ncc(Br)s2)C[C@H]1C ZINC000449508276 240256221 /nfs/dbraw/zinc/25/62/21/240256221.db2.gz UXNDXBFRDZETBT-NXEZZACHSA-N 1 2 319.268 3.153 10 0 DGAELO COc1ccc(OC(F)F)c(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000449695983 240373423 /nfs/dbraw/zinc/37/34/23/240373423.db2.gz GTPSJIZXGFEYKI-UHFFFAOYSA-N 1 2 324.327 3.452 10 0 DGAELO O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc2[nH+]ccn2c1 ZINC000171159279 432107780 /nfs/dbraw/zinc/10/77/80/432107780.db2.gz ANNKGJOGXQYPFM-HNNXBMFYSA-N 1 2 311.772 3.405 10 0 DGAELO CCCOc1ccc(C[N@@H+]2CCC[C@@]2(C)C(=O)OC)cc1OC ZINC000189991020 432109520 /nfs/dbraw/zinc/10/95/20/432109520.db2.gz WKGPJHCCLCUKJB-SFHVURJKSA-N 1 2 321.417 3.012 10 0 DGAELO CCCOc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)OC)cc1OC ZINC000189991020 432109524 /nfs/dbraw/zinc/10/95/24/432109524.db2.gz WKGPJHCCLCUKJB-SFHVURJKSA-N 1 2 321.417 3.012 10 0 DGAELO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(C)cc(OC)c1C ZINC000455283535 242156770 /nfs/dbraw/zinc/15/67/70/242156770.db2.gz LKZZNJVSGLVZOP-ZDUSSCGKSA-N 1 2 316.405 3.411 10 0 DGAELO CC[C@H]1CCC[C@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000455290132 242159532 /nfs/dbraw/zinc/15/95/32/242159532.db2.gz YHZWHVWTQQMOHD-ZFWWWQNUSA-N 1 2 304.438 3.125 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(Cl)c3F)[C@@H]2C1 ZINC000092097252 193157242 /nfs/dbraw/zinc/15/72/42/193157242.db2.gz VNLGCLYPERGSLZ-YUELXQCFSA-N 1 2 313.800 3.247 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc(Cl)c3F)[C@@H]2C1 ZINC000092097252 193157243 /nfs/dbraw/zinc/15/72/43/193157243.db2.gz VNLGCLYPERGSLZ-YUELXQCFSA-N 1 2 313.800 3.247 10 0 DGAELO CCOc1ccc(-c2nc(C[N@@H+]3C[C@H](C)OC[C@H]3C)co2)cc1 ZINC000246297501 432117572 /nfs/dbraw/zinc/11/75/72/432117572.db2.gz AGDWFTIYZYGTTG-KGLIPLIRSA-N 1 2 316.401 3.350 10 0 DGAELO CCOc1ccc(-c2nc(C[N@H+]3C[C@H](C)OC[C@H]3C)co2)cc1 ZINC000246297501 432117575 /nfs/dbraw/zinc/11/75/75/432117575.db2.gz AGDWFTIYZYGTTG-KGLIPLIRSA-N 1 2 316.401 3.350 10 0 DGAELO CCOC(=O)[C@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H]1CCCOC1 ZINC000459492366 243387857 /nfs/dbraw/zinc/38/78/57/243387857.db2.gz FGKLGIGKCGXUTM-ZWKOTPCHSA-N 1 2 317.429 3.012 10 0 DGAELO O=C(C1[C@@H]2CCCC[C@H]12)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000467936567 244010027 /nfs/dbraw/zinc/01/00/27/244010027.db2.gz YPBDMLPIRGSDIB-YDKMSCRKSA-N 1 2 324.468 3.280 10 0 DGAELO Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470952902 244197283 /nfs/dbraw/zinc/19/72/83/244197283.db2.gz IMHPFQXFGPNYJQ-VXGBXAGGSA-N 1 2 300.324 3.206 10 0 DGAELO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470952902 244197285 /nfs/dbraw/zinc/19/72/85/244197285.db2.gz IMHPFQXFGPNYJQ-VXGBXAGGSA-N 1 2 300.324 3.206 10 0 DGAELO Cn1nccc1C[N@@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000093364459 193239751 /nfs/dbraw/zinc/23/97/51/193239751.db2.gz IFAXSYRKJWNAFQ-MRXNPFEDSA-N 1 2 319.836 3.426 10 0 DGAELO Cn1nccc1C[N@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000093364459 193239753 /nfs/dbraw/zinc/23/97/53/193239753.db2.gz IFAXSYRKJWNAFQ-MRXNPFEDSA-N 1 2 319.836 3.426 10 0 DGAELO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccccc1OC1CCCC1 ZINC000120650762 284174812 /nfs/dbraw/zinc/17/48/12/284174812.db2.gz GFPZHBQDSAVNEN-UHFFFAOYSA-N 1 2 318.461 3.355 10 0 DGAELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccccc1OC1CCCC1 ZINC000120650762 284174814 /nfs/dbraw/zinc/17/48/14/284174814.db2.gz GFPZHBQDSAVNEN-UHFFFAOYSA-N 1 2 318.461 3.355 10 0 DGAELO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1OC ZINC000093864886 193320780 /nfs/dbraw/zinc/32/07/80/193320780.db2.gz UBXRURQIGKLLLU-QGZVFWFLSA-N 1 2 317.385 3.179 10 0 DGAELO COc1cccc(C[N@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1OC ZINC000093864886 193320782 /nfs/dbraw/zinc/32/07/82/193320782.db2.gz UBXRURQIGKLLLU-QGZVFWFLSA-N 1 2 317.385 3.179 10 0 DGAELO Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263776797 203559576 /nfs/dbraw/zinc/55/95/76/203559576.db2.gz KYQDXNDQSXRIIB-QGZVFWFLSA-N 1 2 324.428 3.015 10 0 DGAELO O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000121637246 284202533 /nfs/dbraw/zinc/20/25/33/284202533.db2.gz XCCBNMMVZAEMAH-CVEARBPZSA-N 1 2 301.434 3.216 10 0 DGAELO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000488954234 245254176 /nfs/dbraw/zinc/25/41/76/245254176.db2.gz NLHZUDPTWVOWPX-GFCCVEGCSA-N 1 2 307.344 3.039 10 0 DGAELO CCOc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1OC ZINC000126969710 284322774 /nfs/dbraw/zinc/32/27/74/284322774.db2.gz CCPZTUXHORYSKP-VXGBXAGGSA-N 1 2 313.825 3.357 10 0 DGAELO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000266244104 205211735 /nfs/dbraw/zinc/21/17/35/205211735.db2.gz LWNYMRIVRIIEQE-LRDDRELGSA-N 1 2 313.376 3.460 10 0 DGAELO CC(C)c1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000246467278 432134326 /nfs/dbraw/zinc/13/43/26/432134326.db2.gz GMCKQMFCXMJGFR-CHWSQXEVSA-N 1 2 321.446 3.343 10 0 DGAELO CC(C)c1nc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000246467278 432134331 /nfs/dbraw/zinc/13/43/31/432134331.db2.gz GMCKQMFCXMJGFR-CHWSQXEVSA-N 1 2 321.446 3.343 10 0 DGAELO COc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)ccc1Cl ZINC000135690931 284487018 /nfs/dbraw/zinc/48/70/18/284487018.db2.gz FUNXHVILFNPPGI-UHFFFAOYSA-N 1 2 321.808 3.131 10 0 DGAELO CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1[nH+]ccn1CC ZINC000150901070 284540411 /nfs/dbraw/zinc/54/04/11/284540411.db2.gz ANRZAGFXRVWBJY-CQSZACIVSA-N 1 2 310.394 3.108 10 0 DGAELO COc1cccc(F)c1[C@H](C)[NH2+]Cc1nnc(C2CCC2)n1C ZINC000181756152 432143930 /nfs/dbraw/zinc/14/39/30/432143930.db2.gz ARPDAVHGYUNKBO-NSHDSACASA-N 1 2 318.396 3.081 10 0 DGAELO O=C(c1ccc2[nH+]ccn2c1)N1CCCC[C@H]1c1nccs1 ZINC000172213490 296243397 /nfs/dbraw/zinc/24/33/97/296243397.db2.gz LDKOFYAUSQZILS-ZDUSSCGKSA-N 1 2 312.398 3.158 10 0 DGAELO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246592332 432147188 /nfs/dbraw/zinc/14/71/88/432147188.db2.gz JOTNISIWDWMHDK-PMPSAXMXSA-N 1 2 318.465 3.272 10 0 DGAELO CC(C)(C(=O)NCCCNc1cccc[nH+]1)c1cccs1 ZINC000136169075 432148056 /nfs/dbraw/zinc/14/80/56/432148056.db2.gz RAPDAMSSLXGJFD-UHFFFAOYSA-N 1 2 303.431 3.039 10 0 DGAELO COc1ccc(Cl)cc1Nc1nc[nH+]c(NC(C)C)c1N ZINC000040702249 183119664 /nfs/dbraw/zinc/11/96/64/183119664.db2.gz PZIZXAFMXYTUAK-UHFFFAOYSA-N 1 2 307.785 3.285 10 0 DGAELO Nc1c(Nc2ccc(Cl)cn2)nc[nH+]c1NC1CCCC1 ZINC000040779585 183133284 /nfs/dbraw/zinc/13/32/84/183133284.db2.gz BHTGVPJVLGLYME-UHFFFAOYSA-N 1 2 304.785 3.205 10 0 DGAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc(F)cc1 ZINC000042799329 183310652 /nfs/dbraw/zinc/31/06/52/183310652.db2.gz OKACSCGZOSCXED-UHFFFAOYSA-N 1 2 303.724 3.057 10 0 DGAELO CCn1cc[nH+]c1C[S@](=O)[C@@H]1CCc2c1cccc2Cl ZINC000153489065 284674005 /nfs/dbraw/zinc/67/40/05/284674005.db2.gz NRAFMEFIJCWJQU-JLTOFOAXSA-N 1 2 308.834 3.493 10 0 DGAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nccn1C(C)C ZINC000105896171 194162393 /nfs/dbraw/zinc/16/23/93/194162393.db2.gz NSAZEXRPHTZLNO-OAHLLOKOSA-N 1 2 301.438 3.151 10 0 DGAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nccn1C(C)C ZINC000105896171 194162396 /nfs/dbraw/zinc/16/23/96/194162396.db2.gz NSAZEXRPHTZLNO-OAHLLOKOSA-N 1 2 301.438 3.151 10 0 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c1nc(-c2ccncc2)sc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000414472326 433641559 /nfs/dbraw/zinc/64/15/59/433641559.db2.gz OAHWUAIJSAYCSB-INIZCTEOSA-N 1 2 315.442 3.206 10 0 DGAELO c1nc(-c2ccncc2)sc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000414472326 433641571 /nfs/dbraw/zinc/64/15/71/433641571.db2.gz OAHWUAIJSAYCSB-INIZCTEOSA-N 1 2 315.442 3.206 10 0 DGAELO C[C@@H]1C[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)c2[nH+]ccn21 ZINC000456349578 433611523 /nfs/dbraw/zinc/61/15/23/433611523.db2.gz AEHXYOBYFNKXSK-RNCFNFMXSA-N 1 2 307.756 3.040 10 0 DGAELO O[C@H](C[N@@H+]1CCOc2cccc(F)c2C1)c1c(F)cccc1F ZINC000366912888 293003581 /nfs/dbraw/zinc/00/35/81/293003581.db2.gz YYTJEQNXLBOOGR-OAHLLOKOSA-N 1 2 323.314 3.032 10 0 DGAELO O[C@H](C[N@H+]1CCOc2cccc(F)c2C1)c1c(F)cccc1F ZINC000366912888 293003583 /nfs/dbraw/zinc/00/35/83/293003583.db2.gz YYTJEQNXLBOOGR-OAHLLOKOSA-N 1 2 323.314 3.032 10 0 DGAELO Cc1ncc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)s1 ZINC000367370553 293062840 /nfs/dbraw/zinc/06/28/40/293062840.db2.gz DNQUZDZCOBVULI-MRXNPFEDSA-N 1 2 316.405 3.203 10 0 DGAELO Cn1ncnc1C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000367463846 293075688 /nfs/dbraw/zinc/07/56/88/293075688.db2.gz OODVNUOLTZTILY-UHFFFAOYSA-N 1 2 324.453 3.046 10 0 DGAELO Cn1ncnc1C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000367463846 293075693 /nfs/dbraw/zinc/07/56/93/293075693.db2.gz OODVNUOLTZTILY-UHFFFAOYSA-N 1 2 324.453 3.046 10 0 DGAELO CC(C)c1nc(N2CCC(COc3ccccn3)CC2)cc[nH+]1 ZINC000370353925 293169928 /nfs/dbraw/zinc/16/99/28/293169928.db2.gz VGTTULUKWXPCHX-UHFFFAOYSA-N 1 2 312.417 3.290 10 0 DGAELO O=C(Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)C1=CCOCC1 ZINC000373381190 293267391 /nfs/dbraw/zinc/26/73/91/293267391.db2.gz AWAAEZZHNAEWLY-UHFFFAOYSA-N 1 2 323.396 3.172 10 0 DGAELO CSCCCCCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000373534737 293287612 /nfs/dbraw/zinc/28/76/12/293287612.db2.gz PIMOWZUPZIRGOW-CYBMUJFWSA-N 1 2 323.506 3.288 10 0 DGAELO CSCCCCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000373534737 293287615 /nfs/dbraw/zinc/28/76/15/293287615.db2.gz PIMOWZUPZIRGOW-CYBMUJFWSA-N 1 2 323.506 3.288 10 0 DGAELO CCOC(=O)[C@]1(C)CCN(c2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000301779573 433720235 /nfs/dbraw/zinc/72/02/35/433720235.db2.gz SFGWUZRHGLTOFO-GOSISDBHSA-N 1 2 316.376 3.462 10 0 DGAELO CNC(=O)[C@@H](Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)C(C)C ZINC000301812216 433736098 /nfs/dbraw/zinc/73/60/98/433736098.db2.gz ZULNUKWLBOBNCS-AWEZNQCLSA-N 1 2 320.481 3.254 10 0 DGAELO CC(C)c1ccc([C@@H](C)Nc2nc3c(cnn3C)c(N)[nH+]2)cc1 ZINC000302826077 433873431 /nfs/dbraw/zinc/87/34/31/433873431.db2.gz HDFGZWWSRAZIGD-LLVKDONJSA-N 1 2 310.405 3.242 10 0 DGAELO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435125105 433871829 /nfs/dbraw/zinc/87/18/29/433871829.db2.gz VAUICMZEQDNCPY-UHFFFAOYSA-N 1 2 319.405 3.222 10 0 DGAELO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435125105 433871839 /nfs/dbraw/zinc/87/18/39/433871839.db2.gz VAUICMZEQDNCPY-UHFFFAOYSA-N 1 2 319.405 3.222 10 0 DGAELO Oc1cccc2c1CCC[C@@H]2Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302850659 433883743 /nfs/dbraw/zinc/88/37/43/433883743.db2.gz PRTYDRQMWAKAIR-HNNXBMFYSA-N 1 2 310.401 3.272 10 0 DGAELO Oc1cccc2c1CCC[C@@H]2Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302850659 433883750 /nfs/dbraw/zinc/88/37/50/433883750.db2.gz PRTYDRQMWAKAIR-HNNXBMFYSA-N 1 2 310.401 3.272 10 0 DGAELO C[C@H](Nc1nc2c(cnn2C)c(N)[nH+]1)c1ccc2ccccc2c1 ZINC000302865561 433891369 /nfs/dbraw/zinc/89/13/69/433891369.db2.gz YDBIMSAEJSPGTL-NSHDSACASA-N 1 2 318.384 3.272 10 0 DGAELO c1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)n(-c2ccccc2)n1 ZINC000294024889 433969203 /nfs/dbraw/zinc/96/92/03/433969203.db2.gz NRTUHLMBJDCLSY-OALUTQOASA-N 1 2 309.413 3.016 10 0 DGAELO c1cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)n(-c2ccccc2)n1 ZINC000294024889 433969211 /nfs/dbraw/zinc/96/92/11/433969211.db2.gz NRTUHLMBJDCLSY-OALUTQOASA-N 1 2 309.413 3.016 10 0 DGAELO c1coc(C[NH+]2CCN(Cc3ccccc3OC3CC3)CC2)c1 ZINC000450234441 434043558 /nfs/dbraw/zinc/04/35/58/434043558.db2.gz SQUJPTYHRTXUPH-UHFFFAOYSA-N 1 2 312.413 3.139 10 0 DGAELO c1coc(CN2CC[NH+](Cc3ccccc3OC3CC3)CC2)c1 ZINC000450234441 434043565 /nfs/dbraw/zinc/04/35/65/434043565.db2.gz SQUJPTYHRTXUPH-UHFFFAOYSA-N 1 2 312.413 3.139 10 0 DGAELO c1csc([C@@H]([NH2+]CCc2cccc3[nH]ccc32)c2nnc[nH]2)c1 ZINC000340380340 434096031 /nfs/dbraw/zinc/09/60/31/434096031.db2.gz MAROINHWVHCMHK-MRXNPFEDSA-N 1 2 323.425 3.269 10 0 DGAELO c1[nH+]cn(Cc2ccccc2)c1COc1ccc2c(c1)OCCO2 ZINC000437621991 434304981 /nfs/dbraw/zinc/30/49/81/434304981.db2.gz BUAMEJDJNLZWKU-UHFFFAOYSA-N 1 2 322.364 3.282 10 0 DGAELO COc1cccc(C2=CC[N@H+](Cc3c(Cl)cnn3C)CC2)c1 ZINC000437690890 434313591 /nfs/dbraw/zinc/31/35/91/434313591.db2.gz GXQRQGHXJLBXRB-UHFFFAOYSA-N 1 2 317.820 3.371 10 0 DGAELO COc1cccc(C2=CC[N@@H+](Cc3c(Cl)cnn3C)CC2)c1 ZINC000437690890 434313600 /nfs/dbraw/zinc/31/36/00/434313600.db2.gz GXQRQGHXJLBXRB-UHFFFAOYSA-N 1 2 317.820 3.371 10 0 DGAELO Cc1cc(C[NH2+]Cc2nn(C)cc2Br)c(C)s1 ZINC000393346502 434391499 /nfs/dbraw/zinc/39/14/99/434391499.db2.gz CUHQIWAANAEPSU-UHFFFAOYSA-N 1 2 314.252 3.151 10 0 DGAELO Cc1nc(C)c(C[NH2+]Cc2ccsc2Br)o1 ZINC000388815231 434336917 /nfs/dbraw/zinc/33/69/17/434336917.db2.gz GEVPXTDSAXUOEC-UHFFFAOYSA-N 1 2 301.209 3.405 10 0 DGAELO COC(=O)c1cnc(/C=C\c2ccc(N(C)C(C)C)[nH+]c2)s1 ZINC000358659444 434402951 /nfs/dbraw/zinc/40/29/51/434402951.db2.gz JNVLUBGVNYBLAZ-VURMDHGXSA-N 1 2 317.414 3.340 10 0 DGAELO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000450832477 434429159 /nfs/dbraw/zinc/42/91/59/434429159.db2.gz IFSYINRWLMDAGC-OAHLLOKOSA-N 1 2 317.458 3.105 10 0 DGAELO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450832477 434429169 /nfs/dbraw/zinc/42/91/69/434429169.db2.gz IFSYINRWLMDAGC-OAHLLOKOSA-N 1 2 317.458 3.105 10 0 DGAELO O=C(c1cc2cc(F)ccc2o1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000524232584 294971509 /nfs/dbraw/zinc/97/15/09/294971509.db2.gz YQSCQOCZCXQKCT-UHFFFAOYSA-N 1 2 313.332 3.315 10 0 DGAELO C[C@@H]1C[C@H]([NH2+]Cc2[nH]ncc2Br)CC(C)(C)C1 ZINC000525709417 295027336 /nfs/dbraw/zinc/02/73/36/295027336.db2.gz ZPAAAQQBKMQFOA-ZJUUUORDSA-N 1 2 300.244 3.477 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(F)cc1O)C2 ZINC000526009485 295050988 /nfs/dbraw/zinc/05/09/88/295050988.db2.gz UAXRDCYBSVXURM-JTQLQIEISA-N 1 2 317.364 3.121 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(F)cc1O)CC2 ZINC000526009485 295050989 /nfs/dbraw/zinc/05/09/89/295050989.db2.gz UAXRDCYBSVXURM-JTQLQIEISA-N 1 2 317.364 3.121 10 0 DGAELO Cc1ncc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)s1 ZINC000527002273 295070137 /nfs/dbraw/zinc/07/01/37/295070137.db2.gz OJLPSTBIEMOAHL-JTQLQIEISA-N 1 2 304.419 3.042 10 0 DGAELO Cc1ncc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)s1 ZINC000527002273 295070139 /nfs/dbraw/zinc/07/01/39/295070139.db2.gz OJLPSTBIEMOAHL-JTQLQIEISA-N 1 2 304.419 3.042 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1(c3ccccc3)CC1)C2 ZINC000527242513 295086484 /nfs/dbraw/zinc/08/64/84/295086484.db2.gz DCBARRGNCUPVFM-AWEZNQCLSA-N 1 2 323.440 3.444 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1(c3ccccc3)CC1)CC2 ZINC000527242513 295086485 /nfs/dbraw/zinc/08/64/85/295086485.db2.gz DCBARRGNCUPVFM-AWEZNQCLSA-N 1 2 323.440 3.444 10 0 DGAELO c1cn(-c2ncccc2-c2noc([C@H]3CCCC34CC4)n2)c[nH+]1 ZINC000528107845 295176851 /nfs/dbraw/zinc/17/68/51/295176851.db2.gz KCQFSEVZLNRJBO-CYBMUJFWSA-N 1 2 307.357 3.365 10 0 DGAELO COCCC1(C)C[NH+](Cc2cc(F)cc(Br)c2)C1 ZINC000459631023 434639194 /nfs/dbraw/zinc/63/91/94/434639194.db2.gz HTODBHPQMRHZGC-UHFFFAOYSA-N 1 2 316.214 3.447 10 0 DGAELO CC(=Cc1ccccc1Cl)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371446471 434702588 /nfs/dbraw/zinc/70/25/88/434702588.db2.gz DOJDESDOJPSMEK-YKWSONSWSA-N 1 2 315.804 3.140 10 0 DGAELO CC(=Cc1ccccc1Cl)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371446471 434702596 /nfs/dbraw/zinc/70/25/96/434702596.db2.gz DOJDESDOJPSMEK-YKWSONSWSA-N 1 2 315.804 3.140 10 0 DGAELO CC(C)c1nnc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)s1 ZINC000459835956 434730604 /nfs/dbraw/zinc/73/06/04/434730604.db2.gz YLVHLELBWCKGCC-NSHDSACASA-N 1 2 313.467 3.071 10 0 DGAELO CC(C)c1nnc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)s1 ZINC000459835956 434730608 /nfs/dbraw/zinc/73/06/08/434730608.db2.gz YLVHLELBWCKGCC-NSHDSACASA-N 1 2 313.467 3.071 10 0 DGAELO c1[nH+]cn(Cc2ccccc2)c1CSc1nncn1C1CC1 ZINC000445610518 434817423 /nfs/dbraw/zinc/81/74/23/434817423.db2.gz ODWCNYHDMXTLTN-UHFFFAOYSA-N 1 2 311.414 3.150 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000574356596 434970898 /nfs/dbraw/zinc/97/08/98/434970898.db2.gz KHIJCHQJKVMBHU-JKSUJKDBSA-N 1 2 319.449 3.366 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000574356596 434970904 /nfs/dbraw/zinc/97/09/04/434970904.db2.gz KHIJCHQJKVMBHU-JKSUJKDBSA-N 1 2 319.449 3.366 10 0 DGAELO Cn1cc(C[N@H+](C)Cc2ccc(Cl)cn2)c(C(F)(F)F)n1 ZINC000558406547 435088411 /nfs/dbraw/zinc/08/84/11/435088411.db2.gz FMAMELGUBXZTDN-UHFFFAOYSA-N 1 2 318.730 3.119 10 0 DGAELO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)cn2)c(C(F)(F)F)n1 ZINC000558406547 435088416 /nfs/dbraw/zinc/08/84/16/435088416.db2.gz FMAMELGUBXZTDN-UHFFFAOYSA-N 1 2 318.730 3.119 10 0 DGAELO c1cc(-c2nc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)no2)cs1 ZINC000530865875 435055273 /nfs/dbraw/zinc/05/52/73/435055273.db2.gz NSWPXSCAJSARLR-INIZCTEOSA-N 1 2 319.430 3.191 10 0 DGAELO c1cc(-c2nc(C[N@H+]3CCC[C@]4(CCCOC4)C3)no2)cs1 ZINC000530865875 435055277 /nfs/dbraw/zinc/05/52/77/435055277.db2.gz NSWPXSCAJSARLR-INIZCTEOSA-N 1 2 319.430 3.191 10 0 DGAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2ccc(C(C)C)nc2C)C1 ZINC000643855045 435375982 /nfs/dbraw/zinc/37/59/82/435375982.db2.gz RFMLVVCJTSQVTC-WBVHZDCISA-N 1 2 314.433 3.199 10 0 DGAELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000643855045 435375988 /nfs/dbraw/zinc/37/59/88/435375988.db2.gz RFMLVVCJTSQVTC-WBVHZDCISA-N 1 2 314.433 3.199 10 0 DGAELO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000643855045 435375989 /nfs/dbraw/zinc/37/59/89/435375989.db2.gz RFMLVVCJTSQVTC-WBVHZDCISA-N 1 2 314.433 3.199 10 0 DGAELO c1n[nH]c2c1CC[C@H]([NH2+]Cc1ncc(-c3ccccc3)s1)C2 ZINC000536413854 435381463 /nfs/dbraw/zinc/38/14/63/435381463.db2.gz YHPIMXDCLPTIBR-AWEZNQCLSA-N 1 2 310.426 3.180 10 0 DGAELO COC(=O)[C@H]([NH2+]Cc1ccc(OC2CCCCC2)cc1)C1CC1 ZINC000513446921 435389255 /nfs/dbraw/zinc/38/92/55/435389255.db2.gz IRRZEYPHCCCLTE-GOSISDBHSA-N 1 2 317.429 3.439 10 0 DGAELO COC(=O)[C@H]([NH2+]CC1(c2cccc(C)c2)CCCC1)C1CC1 ZINC000513458359 435389810 /nfs/dbraw/zinc/38/98/10/435389810.db2.gz QBLBFQUGQIOSGC-QGZVFWFLSA-N 1 2 301.430 3.348 10 0 DGAELO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000537618815 435453921 /nfs/dbraw/zinc/45/39/21/435453921.db2.gz NOSZRUSWCAUFEZ-INIZCTEOSA-N 1 2 321.465 3.171 10 0 DGAELO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000537618815 435453929 /nfs/dbraw/zinc/45/39/29/435453929.db2.gz NOSZRUSWCAUFEZ-INIZCTEOSA-N 1 2 321.465 3.171 10 0 DGAELO Cc1ccc2c(c1)C[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C2 ZINC000483340130 435513893 /nfs/dbraw/zinc/51/38/93/435513893.db2.gz SWIASLDMKFOCMV-RLFYNMQTSA-N 1 2 300.446 3.252 10 0 DGAELO Cc1ccc2c(c1)C[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C2 ZINC000483340130 435513896 /nfs/dbraw/zinc/51/38/96/435513896.db2.gz SWIASLDMKFOCMV-RLFYNMQTSA-N 1 2 300.446 3.252 10 0 DGAELO C(=C\c1ccccc1)\C[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000483437695 435519193 /nfs/dbraw/zinc/51/91/93/435519193.db2.gz IQNOKKKQYYQLIL-ROFLEHJCSA-N 1 2 309.409 3.480 10 0 DGAELO C(=C\c1ccccc1)\C[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000483437695 435519197 /nfs/dbraw/zinc/51/91/97/435519197.db2.gz IQNOKKKQYYQLIL-ROFLEHJCSA-N 1 2 309.409 3.480 10 0 DGAELO c1cc(C[NH+]2CCN(Cc3cccc4c3NCC4)CC2)cs1 ZINC000516770559 435550799 /nfs/dbraw/zinc/55/07/99/435550799.db2.gz NUQFYWKQJCOHJR-UHFFFAOYSA-N 1 2 313.470 3.034 10 0 DGAELO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC(F)(F)CO ZINC000517053829 435574099 /nfs/dbraw/zinc/57/40/99/435574099.db2.gz UDEMFWVUTFUXEM-BJMVGYQFSA-N 1 2 309.278 3.326 10 0 DGAELO Cn1cc[nH+]c1[C@H](NC(=O)c1ccoc1C1CC1)c1ccccc1 ZINC000540608782 435610720 /nfs/dbraw/zinc/61/07/20/435610720.db2.gz VDXKGFVNHHWCBO-MRXNPFEDSA-N 1 2 321.380 3.410 10 0 DGAELO Cc1ncsc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000570864876 435657954 /nfs/dbraw/zinc/65/79/54/435657954.db2.gz DGDCVVBSOFODID-JTQLQIEISA-N 1 2 304.419 3.042 10 0 DGAELO Cc1ncsc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000570864876 435657958 /nfs/dbraw/zinc/65/79/58/435657958.db2.gz DGDCVVBSOFODID-JTQLQIEISA-N 1 2 304.419 3.042 10 0 DGAELO Cc1ncsc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000570864877 435658691 /nfs/dbraw/zinc/65/86/91/435658691.db2.gz DGDCVVBSOFODID-SNVBAGLBSA-N 1 2 304.419 3.042 10 0 DGAELO Cc1ncsc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000570864877 435658696 /nfs/dbraw/zinc/65/86/96/435658696.db2.gz DGDCVVBSOFODID-SNVBAGLBSA-N 1 2 304.419 3.042 10 0 DGAELO c1csc([C@@H]([NH2+]C[C@@H]2CC23CCSCC3)c2nnc[nH]2)c1 ZINC000571906796 435752176 /nfs/dbraw/zinc/75/21/76/435752176.db2.gz DQMFQKSGQYZUAK-WCQYABFASA-N 1 2 320.487 3.079 10 0 DGAELO c1csc([C@H]2C[N@H+](Cc3ccc4c(n3)CCC4)CCO2)c1 ZINC000520750427 435770667 /nfs/dbraw/zinc/77/06/67/435770667.db2.gz DXWKUQJAGILQAG-MRXNPFEDSA-N 1 2 300.427 3.205 10 0 DGAELO c1csc([C@H]2C[N@@H+](Cc3ccc4c(n3)CCC4)CCO2)c1 ZINC000520750427 435770676 /nfs/dbraw/zinc/77/06/76/435770676.db2.gz DXWKUQJAGILQAG-MRXNPFEDSA-N 1 2 300.427 3.205 10 0 DGAELO CC(=O)c1cc(C[NH+]2CCC(F)(c3ccccc3)CC2)on1 ZINC000572613626 435848046 /nfs/dbraw/zinc/84/80/46/435848046.db2.gz ISONFFCNKJTJDW-UHFFFAOYSA-N 1 2 302.349 3.338 10 0 DGAELO O=C(Cc1coc2ccccc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000551972079 435863681 /nfs/dbraw/zinc/86/36/81/435863681.db2.gz FPNLYNVLHCHBSX-UHFFFAOYSA-N 1 2 309.369 3.105 10 0 DGAELO CC[C@@H](O)CN(Cc1cn2c(cccc2C)[nH+]1)c1ccccc1 ZINC000170715878 312700111 /nfs/dbraw/zinc/70/01/11/312700111.db2.gz DCCSTZNGIQOKFX-GOSISDBHSA-N 1 2 309.413 3.420 10 0 DGAELO Cc1ccc(C(=O)NCc2ccc[nH+]c2N(C)C)cc1Cl ZINC000171280359 312715844 /nfs/dbraw/zinc/71/58/44/312715844.db2.gz DLOUDRJAOAWMOB-UHFFFAOYSA-N 1 2 303.793 3.039 10 0 DGAELO COc1cc(CNc2cc(C)[nH+]c(-c3ccncc3)n2)ccc1O ZINC000171829894 312732144 /nfs/dbraw/zinc/73/21/44/312732144.db2.gz IVSXOEJANYRDPW-UHFFFAOYSA-N 1 2 322.368 3.173 10 0 DGAELO c1cc2c(c(C[N@@H+]3CCO[C@H](C4CCCCC4)C3)c1)OCO2 ZINC000541779420 314038283 /nfs/dbraw/zinc/03/82/83/314038283.db2.gz WTQPJZPUXXVHSV-KRWDZBQOSA-N 1 2 303.402 3.196 10 0 DGAELO c1cc2c(c(C[N@H+]3CCO[C@H](C4CCCCC4)C3)c1)OCO2 ZINC000541779420 314038287 /nfs/dbraw/zinc/03/82/87/314038287.db2.gz WTQPJZPUXXVHSV-KRWDZBQOSA-N 1 2 303.402 3.196 10 0 DGAELO Cc1ccc(-c2noc(C[NH2+][C@@H](CO)c3ccccc3C)n2)cc1 ZINC000543837593 314160083 /nfs/dbraw/zinc/16/00/83/314160083.db2.gz AGOUWQFQZTXFEV-KRWDZBQOSA-N 1 2 323.396 3.177 10 0 DGAELO C[C@@H]1C[C@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCO1 ZINC000547098858 314344495 /nfs/dbraw/zinc/34/44/95/314344495.db2.gz RXKNHLJODCNKMR-TZMCWYRMSA-N 1 2 310.357 3.205 10 0 DGAELO CC[C@H](NC(=O)c1cc(C2CCCCC2)n[nH]1)c1[nH]cc[nH+]1 ZINC000548078026 314418504 /nfs/dbraw/zinc/41/85/04/314418504.db2.gz PFAOGEYNXKPQNL-LBPRGKRZSA-N 1 2 301.394 3.062 10 0 DGAELO Cc1ccc(-c2noc(C[N@@H+]3CCO[C@@H](C(C)(C)C)C3)n2)cc1 ZINC000562505317 315025176 /nfs/dbraw/zinc/02/51/76/315025176.db2.gz FYWKKLWNVVUZLM-OAHLLOKOSA-N 1 2 315.417 3.292 10 0 DGAELO Cc1ccc(-c2noc(C[N@H+]3CCO[C@@H](C(C)(C)C)C3)n2)cc1 ZINC000562505317 315025178 /nfs/dbraw/zinc/02/51/78/315025178.db2.gz FYWKKLWNVVUZLM-OAHLLOKOSA-N 1 2 315.417 3.292 10 0 DGAELO Cn1c(C[NH2+]C2(c3ccc(F)cc3F)CCC2)nnc1C1CC1 ZINC000179982291 323219179 /nfs/dbraw/zinc/21/91/79/323219179.db2.gz HLDUFYNNZGQPIN-UHFFFAOYSA-N 1 2 318.371 3.140 10 0 DGAELO COC[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000181665071 323263054 /nfs/dbraw/zinc/26/30/54/323263054.db2.gz KRJAXMLJWSNIFL-OAHLLOKOSA-N 1 2 300.333 3.444 10 0 DGAELO Cn1c(C[NH2+]C2(c3cccc(F)c3)CC2)nnc1C1CCC1 ZINC000181754582 323267917 /nfs/dbraw/zinc/26/79/17/323267917.db2.gz HBSSUBXIVVFMOP-UHFFFAOYSA-N 1 2 300.381 3.001 10 0 DGAELO CCc1ccnc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000181904564 323274002 /nfs/dbraw/zinc/27/40/02/323274002.db2.gz JYQVVGNADQUDRD-AWEZNQCLSA-N 1 2 320.396 3.321 10 0 DGAELO C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccc2c(c1)OCO2 ZINC000182253709 323289549 /nfs/dbraw/zinc/28/95/49/323289549.db2.gz KVKMDTGADNVMJX-LBPRGKRZSA-N 1 2 323.352 3.316 10 0 DGAELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000183018466 323320196 /nfs/dbraw/zinc/32/01/96/323320196.db2.gz WRQOTZDWRCHOOH-ZDUSSCGKSA-N 1 2 309.479 3.099 10 0 DGAELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000183018466 323320201 /nfs/dbraw/zinc/32/02/01/323320201.db2.gz WRQOTZDWRCHOOH-ZDUSSCGKSA-N 1 2 309.479 3.099 10 0 DGAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000183027639 323320414 /nfs/dbraw/zinc/32/04/14/323320414.db2.gz REZHXRVBWCGUNK-CYBMUJFWSA-N 1 2 309.479 3.147 10 0 DGAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000183027639 323320416 /nfs/dbraw/zinc/32/04/16/323320416.db2.gz REZHXRVBWCGUNK-CYBMUJFWSA-N 1 2 309.479 3.147 10 0 DGAELO CC[C@@H]1C[N@H+](Cc2ncc(C(C)C)s2)CCN1CC(F)F ZINC000183107990 323325353 /nfs/dbraw/zinc/32/53/53/323325353.db2.gz FVLHRXCGPURQAT-GFCCVEGCSA-N 1 2 317.449 3.428 10 0 DGAELO CC[C@@H]1C[N@@H+](Cc2ncc(C(C)C)s2)CCN1CC(F)F ZINC000183107990 323325356 /nfs/dbraw/zinc/32/53/56/323325356.db2.gz FVLHRXCGPURQAT-GFCCVEGCSA-N 1 2 317.449 3.428 10 0 DGAELO CCn1c(C[NH2+][C@@H](COC)c2ccco2)nc2cc(F)ccc21 ZINC000184595369 323369746 /nfs/dbraw/zinc/36/97/46/323369746.db2.gz JFJFMHCWVXFPQR-AWEZNQCLSA-N 1 2 317.364 3.266 10 0 DGAELO CCOc1ccccc1CS(=O)(=O)Cc1ccc(C)[nH+]c1C ZINC000185123099 323381132 /nfs/dbraw/zinc/38/11/32/323381132.db2.gz CJOXFLUCBUJKPO-UHFFFAOYSA-N 1 2 319.426 3.212 10 0 DGAELO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1F)c1nccs1 ZINC000185123533 323381887 /nfs/dbraw/zinc/38/18/87/323381887.db2.gz QXRZAFAIBCNEAM-ZDUSSCGKSA-N 1 2 308.378 3.310 10 0 DGAELO CC(C)c1nc(NC2CCCCC2)nc(NC2CCCCC2)[nH+]1 ZINC000584615600 337372815 /nfs/dbraw/zinc/37/28/15/337372815.db2.gz ZVFCWYZOPUIIEP-UHFFFAOYSA-N 1 2 317.481 3.328 10 0 DGAELO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1cccc(O)c1 ZINC000181494809 533950124 /nfs/dbraw/zinc/95/01/24/533950124.db2.gz KUHXCXGTYNEWHF-ZDUSSCGKSA-N 1 2 308.385 3.039 10 0 DGAELO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000157772189 520975435 /nfs/dbraw/zinc/97/54/35/520975435.db2.gz LUNUXZQGHOGZQG-MRXNPFEDSA-N 1 2 318.442 3.424 10 0 DGAELO CCOc1ccc(C[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000157772189 520975441 /nfs/dbraw/zinc/97/54/41/520975441.db2.gz LUNUXZQGHOGZQG-MRXNPFEDSA-N 1 2 318.442 3.424 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(F)cc3Cl)[C@@H]2C1 ZINC000157909091 523708246 /nfs/dbraw/zinc/70/82/46/523708246.db2.gz CMFIQCIAVNDJMO-BMFZPTHFSA-N 1 2 313.800 3.247 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(F)cc3Cl)[C@@H]2C1 ZINC000157909091 523708250 /nfs/dbraw/zinc/70/82/50/523708250.db2.gz CMFIQCIAVNDJMO-BMFZPTHFSA-N 1 2 313.800 3.247 10 0 DGAELO Cc1nn(C)c(C)c1CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000302081620 534816255 /nfs/dbraw/zinc/81/62/55/534816255.db2.gz JGHAPKPQVVWNTN-UHFFFAOYSA-N 1 2 313.449 3.059 10 0 DGAELO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000157280630 525945555 /nfs/dbraw/zinc/94/55/55/525945555.db2.gz NYEVONJTOLJUFT-UHFFFAOYSA-N 1 2 322.412 3.459 10 0 DGAELO CC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1Cl ZINC000429236184 527310278 /nfs/dbraw/zinc/31/02/78/527310278.db2.gz LLNOYAUURSBSQC-HNNXBMFYSA-N 1 2 306.793 3.108 10 0 DGAELO CC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1Cl ZINC000429236184 527310284 /nfs/dbraw/zinc/31/02/84/527310284.db2.gz LLNOYAUURSBSQC-HNNXBMFYSA-N 1 2 306.793 3.108 10 0 DGAELO [NH3+][C@H](c1noc(C(F)(F)F)n1)c1cc(Cl)cc(Cl)c1 ZINC000037425142 527392211 /nfs/dbraw/zinc/39/22/11/527392211.db2.gz AFXZJMLEPAOYGN-ZETCQYMHSA-N 1 2 312.078 3.443 10 0 DGAELO CC(C)[C@H]1OCC[C@@H]1CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000328830484 527920946 /nfs/dbraw/zinc/92/09/46/527920946.db2.gz UXBVMLACIFBJIX-IIDMSEBBSA-N 1 2 318.465 3.186 10 0 DGAELO CC(C)[C@H]1OCC[C@@H]1CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000328830484 527920953 /nfs/dbraw/zinc/92/09/53/527920953.db2.gz UXBVMLACIFBJIX-IIDMSEBBSA-N 1 2 318.465 3.186 10 0 DGAELO CCOc1cc(C[NH2+]C(C)(C)c2noc(CC)n2)ccc1OC ZINC000441210499 528275088 /nfs/dbraw/zinc/27/50/88/528275088.db2.gz XGGPKVYKKSEKMI-UHFFFAOYSA-N 1 2 319.405 3.064 10 0 DGAELO CC[C@](C)([NH2+]CC(=O)Nc1ccccc1F)c1nccs1 ZINC000173511477 529370265 /nfs/dbraw/zinc/37/02/65/529370265.db2.gz BQRDQRCDIOGTTD-HNNXBMFYSA-N 1 2 307.394 3.136 10 0 DGAELO C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000032083965 545669383 /nfs/dbraw/zinc/66/93/83/545669383.db2.gz IJDIMUDJWPSEPO-NSHDSACASA-N 1 2 315.323 3.032 10 0 DGAELO c1cc([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)[nH]n1 ZINC000121295095 545894977 /nfs/dbraw/zinc/89/49/77/545894977.db2.gz XJJZSNCXAJMVAU-OAHLLOKOSA-N 1 2 307.401 3.179 10 0 DGAELO c1cc([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)[nH]n1 ZINC000121295095 545894982 /nfs/dbraw/zinc/89/49/82/545894982.db2.gz XJJZSNCXAJMVAU-OAHLLOKOSA-N 1 2 307.401 3.179 10 0 DGAELO Cc1cc(NC[C@@]2(C)CCCC[C@@H]2O)nc(-c2ccncc2)[nH+]1 ZINC000175060285 546111096 /nfs/dbraw/zinc/11/10/96/546111096.db2.gz DQHYNMDNPJXSQT-MAUKXSAKSA-N 1 2 312.417 3.200 10 0 DGAELO Brc1cc(C[N@H+](Cc2cncnc2)C2CC2)cs1 ZINC000180023674 546141278 /nfs/dbraw/zinc/14/12/78/546141278.db2.gz LVRVHCTVLBXJGS-UHFFFAOYSA-N 1 2 324.247 3.465 10 0 DGAELO Brc1cc(C[N@@H+](Cc2cncnc2)C2CC2)cs1 ZINC000180023674 546141284 /nfs/dbraw/zinc/14/12/84/546141284.db2.gz LVRVHCTVLBXJGS-UHFFFAOYSA-N 1 2 324.247 3.465 10 0 DGAELO CC[C@](C)([NH2+]Cc1nnc(C2CCC2)n1C)c1nc(C)cs1 ZINC000181475200 546156470 /nfs/dbraw/zinc/15/64/70/546156470.db2.gz IVBJWIRPOOQFTK-INIZCTEOSA-N 1 2 319.478 3.263 10 0 DGAELO CC(C)Oc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1Cl ZINC000192623704 546235598 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C[C@@H]1CCC[C@H](c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)C1 ZINC000329734693 546490393 /nfs/dbraw/zinc/49/03/93/546490393.db2.gz RNNKUTRVFYATFW-BARDWOONSA-N 1 2 305.422 3.289 10 0 DGAELO C[C@@H]1CCC[C@H](c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)C1 ZINC000329734693 546490397 /nfs/dbraw/zinc/49/03/97/546490397.db2.gz RNNKUTRVFYATFW-BARDWOONSA-N 1 2 305.422 3.289 10 0 DGAELO c1c[nH+]c(N2CCCCC2)c(CNc2ccnc(C3CC3)n2)c1 ZINC000731990651 574564667 /nfs/dbraw/zinc/56/46/67/574564667.db2.gz IGHSKUCRWQRWIY-UHFFFAOYSA-N 1 2 309.417 3.351 10 0 DGAELO C/C(=C\C(=O)NCCCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000732276220 574570154 /nfs/dbraw/zinc/57/01/54/574570154.db2.gz XKXVAHPNEXBJMW-SDNWHVSQSA-N 1 2 301.365 3.022 10 0 DGAELO COc1ccc(/C=C\C(=O)Nc2ccc3[nH+]ccn3c2)cc1OC ZINC000733879274 574641719 /nfs/dbraw/zinc/64/17/19/574641719.db2.gz UFMJYMPVOSGYHP-YWEYNIOJSA-N 1 2 323.352 3.003 10 0 DGAELO c1nn(-c2ccccc2)nc1C[NH2+]Cc1coc2ccccc12 ZINC000734003959 574646516 /nfs/dbraw/zinc/64/65/16/574646516.db2.gz 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CC[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000091980238 193136239 /nfs/dbraw/zinc/13/62/39/193136239.db2.gz VBHWEIZQPLHEBW-KRWDZBQOSA-N 1 2 300.377 3.499 10 0 DGAELO CC[C@H]1COCC[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000091980238 193136240 /nfs/dbraw/zinc/13/62/40/193136240.db2.gz VBHWEIZQPLHEBW-KRWDZBQOSA-N 1 2 300.377 3.499 10 0 DGAELO C[N@H+](CC(C)(C)C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000092069414 193152016 /nfs/dbraw/zinc/15/20/16/193152016.db2.gz ATTHDXIWQGPFON-LBPRGKRZSA-N 1 2 301.839 3.146 10 0 DGAELO C[N@@H+](CC(C)(C)C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000092069414 193152017 /nfs/dbraw/zinc/15/20/17/193152017.db2.gz ATTHDXIWQGPFON-LBPRGKRZSA-N 1 2 301.839 3.146 10 0 DGAELO C[C@]1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCCO1 ZINC000267982939 291372592 /nfs/dbraw/zinc/37/25/92/291372592.db2.gz PGKJOIKURMPEOR-GOSISDBHSA-N 1 2 313.401 3.270 10 0 DGAELO CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000455466281 242208061 /nfs/dbraw/zinc/20/80/61/242208061.db2.gz 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c1cc([C@H]2C[N@@H+](Cc3cc4cccnc4o3)CCO2)cs1 ZINC000449038363 433698878 /nfs/dbraw/zinc/69/88/78/433698878.db2.gz UBDFDSPJWRTIMV-OAHLLOKOSA-N 1 2 300.383 3.463 10 0 DGAELO COc1ccc([C@@H]([NH2+]Cc2cnccc2C)c2nccn2C)cc1 ZINC000373389559 293269045 /nfs/dbraw/zinc/26/90/45/293269045.db2.gz DHBKBIINQUMECP-GOSISDBHSA-N 1 2 322.412 3.011 10 0 DGAELO OCC1(c2ccccc2)C[NH+](Cc2cccc(Cl)c2F)C1 ZINC000414550941 433712515 /nfs/dbraw/zinc/71/25/15/433712515.db2.gz ODPVHEDBXXFKLO-UHFFFAOYSA-N 1 2 305.780 3.225 10 0 DGAELO CC(=O)N(C)c1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000362532919 433740185 /nfs/dbraw/zinc/74/01/85/433740185.db2.gz JUXYUFVYDNFQGQ-UHFFFAOYSA-N 1 2 322.368 3.106 10 0 DGAELO CC(=O)N(C)c1ccc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cc1 ZINC000362532919 433740193 /nfs/dbraw/zinc/74/01/93/433740193.db2.gz JUXYUFVYDNFQGQ-UHFFFAOYSA-N 1 2 322.368 3.106 10 0 DGAELO c1ccc(Oc2cccnc2)c(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000362564778 433760671 /nfs/dbraw/zinc/76/06/71/433760671.db2.gz 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433893694 /nfs/dbraw/zinc/89/36/94/433893694.db2.gz QQNJMCAPONNCHW-CQSZACIVSA-N 1 2 315.461 3.431 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCC3(CCC3)C1)CC2 ZINC000357171840 433893701 /nfs/dbraw/zinc/89/37/01/433893701.db2.gz QQNJMCAPONNCHW-CQSZACIVSA-N 1 2 315.461 3.431 10 0 DGAELO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052034708 294157399 /nfs/dbraw/zinc/15/73/99/294157399.db2.gz SNLYXLVSIFFXPP-CQSZACIVSA-N 1 2 307.800 3.420 10 0 DGAELO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052034708 294157400 /nfs/dbraw/zinc/15/74/00/294157400.db2.gz SNLYXLVSIFFXPP-CQSZACIVSA-N 1 2 307.800 3.420 10 0 DGAELO c1nnc([C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)c2ccccc2)[nH]1 ZINC000340489817 434162971 /nfs/dbraw/zinc/16/29/71/434162971.db2.gz JCXAOYIBYHDRCE-KURKYZTESA-N 1 2 304.397 3.287 10 0 DGAELO COC(=O)[C@@H]([NH2+]CC1(c2cccc(OC)c2)CCCC1)C1CC1 ZINC000513444872 294473376 /nfs/dbraw/zinc/47/33/76/294473376.db2.gz VADWTUHSRXIPKL-KRWDZBQOSA-N 1 2 317.429 3.048 10 0 DGAELO Cc1cccc(C[NH2+]Cc2nn(C)cc2Br)c1C ZINC000393316426 434391221 /nfs/dbraw/zinc/39/12/21/434391221.db2.gz SFTBNFAGVDKLKE-UHFFFAOYSA-N 1 2 308.223 3.089 10 0 DGAELO C[C@@H]1CCCC[C@@H]1OCc1noc([C@@H]2CCC[N@@H+]2C2CC2)n1 ZINC000329589301 434435658 /nfs/dbraw/zinc/43/56/58/434435658.db2.gz YASPGLOYTMWAED-SNPRPXQTSA-N 1 2 305.422 3.464 10 0 DGAELO C[C@@H]1CCCC[C@@H]1OCc1noc([C@@H]2CCC[N@H+]2C2CC2)n1 ZINC000329589301 434435671 /nfs/dbraw/zinc/43/56/71/434435671.db2.gz YASPGLOYTMWAED-SNPRPXQTSA-N 1 2 305.422 3.464 10 0 DGAELO c1ccc([C@@H]2CC[C@H](CNc3cc(NCC4CC4)[nH+]cn3)O2)cc1 ZINC000341042779 434507657 /nfs/dbraw/zinc/50/76/57/434507657.db2.gz KQTKYEBJKFEHNX-SJORKVTESA-N 1 2 324.428 3.631 10 0 DGAELO c1ccc([C@@H]2CC[C@H](CNc3cc(NCC4CC4)nc[nH+]3)O2)cc1 ZINC000341042779 434507668 /nfs/dbraw/zinc/50/76/68/434507668.db2.gz KQTKYEBJKFEHNX-SJORKVTESA-N 1 2 324.428 3.631 10 0 DGAELO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000408139778 434546047 /nfs/dbraw/zinc/54/60/47/434546047.db2.gz PHGOKBKHGNQANB-UNEWFSDZSA-N 1 2 324.428 3.232 10 0 DGAELO CC(C)(C)[C@@H]1CC[N@H+](Cc2noc(C3CCCCC3)n2)C[C@@H]1O ZINC000408197356 434549449 /nfs/dbraw/zinc/54/94/49/434549449.db2.gz IBGLOHUEDOTBCL-CABCVRRESA-N 1 2 321.465 3.346 10 0 DGAELO CC(C)(C)[C@@H]1CC[N@@H+](Cc2noc(C3CCCCC3)n2)C[C@@H]1O ZINC000408197356 434549455 /nfs/dbraw/zinc/54/94/55/434549455.db2.gz IBGLOHUEDOTBCL-CABCVRRESA-N 1 2 321.465 3.346 10 0 DGAELO CCn1nncc1C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000459297678 434563245 /nfs/dbraw/zinc/56/32/45/434563245.db2.gz JTYWUBFUKIQVRQ-UHFFFAOYSA-N 1 2 324.350 3.481 10 0 DGAELO CCn1nncc1C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000459297678 434563250 /nfs/dbraw/zinc/56/32/50/434563250.db2.gz JTYWUBFUKIQVRQ-UHFFFAOYSA-N 1 2 324.350 3.481 10 0 DGAELO c1c(C[NH2+][C@@H](c2ccccn2)C2CCC2)nnn1-c1ccccc1 ZINC000527774985 295128276 /nfs/dbraw/zinc/12/82/76/295128276.db2.gz WRQBUHZFQZBJOS-LJQANCHMSA-N 1 2 319.412 3.293 10 0 DGAELO c1cn(-c2cc(-c3noc([C@@H]4CCCC45CC5)n3)ccn2)c[nH+]1 ZINC000528137654 295179533 /nfs/dbraw/zinc/17/95/33/295179533.db2.gz OWNIJRYCCCQPRP-ZDUSSCGKSA-N 1 2 307.357 3.365 10 0 DGAELO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)c(C)[nH+]1 ZINC000408461595 434579667 /nfs/dbraw/zinc/57/96/67/434579667.db2.gz ATDQGCKXSIVSPB-OAHLLOKOSA-N 1 2 313.405 3.109 10 0 DGAELO OCC[C@H]1CCC[N@@H+]1Cc1ccc(Br)c(F)c1F ZINC000528462936 295216183 /nfs/dbraw/zinc/21/61/83/295216183.db2.gz DRUGAKZOYRJZBE-SNVBAGLBSA-N 1 2 320.177 3.074 10 0 DGAELO OCC[C@H]1CCC[N@H+]1Cc1ccc(Br)c(F)c1F ZINC000528462936 295216184 /nfs/dbraw/zinc/21/61/84/295216184.db2.gz DRUGAKZOYRJZBE-SNVBAGLBSA-N 1 2 320.177 3.074 10 0 DGAELO c1nc(C2CC2)ncc1C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000459480783 434587710 /nfs/dbraw/zinc/58/77/10/434587710.db2.gz KIWCXWIXFPVNAO-QGZVFWFLSA-N 1 2 301.434 3.135 10 0 DGAELO c1nc(C2CC2)ncc1C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000459480783 434587716 /nfs/dbraw/zinc/58/77/16/434587716.db2.gz KIWCXWIXFPVNAO-QGZVFWFLSA-N 1 2 301.434 3.135 10 0 DGAELO C[C@H]([NH2+]Cc1c(F)cccc1Br)c1ccn(C)n1 ZINC000459798726 434724853 /nfs/dbraw/zinc/72/48/53/434724853.db2.gz UNBKGZPDOVPFGD-VIFPVBQESA-N 1 2 312.186 3.173 10 0 DGAELO c1[nH]cc(C2CCN(Cc3noc(C4CCCCC4)n3)CC2)[nH+]1 ZINC000372169734 434808137 /nfs/dbraw/zinc/80/81/37/434808137.db2.gz PDNJGCUNQKQUIW-UHFFFAOYSA-N 1 2 315.421 3.220 10 0 DGAELO CCc1cnc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)s1 ZINC000372444894 434828563 /nfs/dbraw/zinc/82/85/63/434828563.db2.gz CKMHNMVLAAWPOH-SNVBAGLBSA-N 1 2 318.446 3.296 10 0 DGAELO CCc1cnc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)s1 ZINC000372444894 434828568 /nfs/dbraw/zinc/82/85/68/434828568.db2.gz CKMHNMVLAAWPOH-SNVBAGLBSA-N 1 2 318.446 3.296 10 0 DGAELO OC1(C[N@@H+]2CCn3c(cc4cc(Cl)ccc43)C2)CCCC1 ZINC000494147075 435194322 /nfs/dbraw/zinc/19/43/22/435194322.db2.gz YBDFKYFXCANLST-UHFFFAOYSA-N 1 2 304.821 3.415 10 0 DGAELO OC1(C[N@H+]2CCn3c(cc4cc(Cl)ccc43)C2)CCCC1 ZINC000494147075 435194325 /nfs/dbraw/zinc/19/43/25/435194325.db2.gz 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CC(=O)c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)on1 ZINC000568168599 435397204 /nfs/dbraw/zinc/39/72/04/435397204.db2.gz LWCLENHZNVAMFD-ZDUSSCGKSA-N 1 2 316.323 3.432 10 0 DGAELO CC(=O)c1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)on1 ZINC000568168599 435397210 /nfs/dbraw/zinc/39/72/10/435397210.db2.gz LWCLENHZNVAMFD-ZDUSSCGKSA-N 1 2 316.323 3.432 10 0 DGAELO c1ccc(O[C@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000568626063 435456374 /nfs/dbraw/zinc/45/63/74/435456374.db2.gz NTFNRAPUSZGQBM-INIZCTEOSA-N 1 2 313.401 3.381 10 0 DGAELO c1ccc(O[C@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000568626063 435456378 /nfs/dbraw/zinc/45/63/78/435456378.db2.gz NTFNRAPUSZGQBM-INIZCTEOSA-N 1 2 313.401 3.381 10 0 DGAELO C[C@@H]1CCCCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000548270102 435679183 /nfs/dbraw/zinc/67/91/83/435679183.db2.gz PGCCQUZONODRCC-OAHLLOKOSA-N 1 2 312.417 3.346 10 0 DGAELO Cc1cnc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)o1 ZINC000249466569 302343848 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C[C@H]1CCCCN1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332805034 312825543 /nfs/dbraw/zinc/82/55/43/312825543.db2.gz AKDRBKAPNWOANM-KBPBESRZSA-N 1 2 318.465 3.079 10 0 DGAELO c1coc(-c2noc(C[NH2+][C@H](c3ccccn3)C3CCC3)n2)c1 ZINC000528654111 313052315 /nfs/dbraw/zinc/05/23/15/313052315.db2.gz XUQAHVOBOANELF-INIZCTEOSA-N 1 2 310.357 3.356 10 0 DGAELO c1coc(CC2C[NH+](Cc3csc(-c4ccccn4)n3)C2)c1 ZINC000529648698 313247475 /nfs/dbraw/zinc/24/74/75/313247475.db2.gz HEPJBLUXOSLYQP-UHFFFAOYSA-N 1 2 311.410 3.473 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc3c[nH]nc31)C2 ZINC000530526567 313380407 /nfs/dbraw/zinc/38/04/07/313380407.db2.gz FDYBHFLBGSNYPE-LLVKDONJSA-N 1 2 323.400 3.153 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc3c[nH]nc31)CC2 ZINC000530526567 313380409 /nfs/dbraw/zinc/38/04/09/313380409.db2.gz FDYBHFLBGSNYPE-LLVKDONJSA-N 1 2 323.400 3.153 10 0 DGAELO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)c2c[nH]c3ncccc23)n1 ZINC000541651380 314030839 /nfs/dbraw/zinc/03/08/39/314030839.db2.gz PGAYCODLLAONNZ-GHMZBOCLSA-N 1 2 314.414 3.250 10 0 DGAELO COC(=O)[C@@H]([NH2+]CCn1c2ccccc2c2ccccc21)C1CC1 ZINC000542212617 314062426 /nfs/dbraw/zinc/06/24/26/314062426.db2.gz QGZPLCYGILXNOB-IBGZPJMESA-N 1 2 322.408 3.336 10 0 DGAELO C[C@H]1CC[C@H](CCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)O1 ZINC000547106641 314344552 /nfs/dbraw/zinc/34/45/52/314344552.db2.gz KZUWIBBNNHSVMD-XJKSGUPXSA-N 1 2 324.384 3.422 10 0 DGAELO N#Cc1cnccc1Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC000547511775 314375579 /nfs/dbraw/zinc/37/55/79/314375579.db2.gz QKARVKJHNDATHH-UHFFFAOYSA-N 1 2 311.348 3.458 10 0 DGAELO c1ccc([C@H]2CC[C@H](CNc3cc(NC4CC4)nc[nH+]3)O2)cc1 ZINC000565703118 315281070 /nfs/dbraw/zinc/28/10/70/315281070.db2.gz HNLWETXIBAAFAC-HZPDHXFCSA-N 1 2 310.401 3.383 10 0 DGAELO c1ccc([C@H]2CC[C@H](CNc3cc(NC4CC4)[nH+]cn3)O2)cc1 ZINC000565703118 315281071 /nfs/dbraw/zinc/28/10/71/315281071.db2.gz HNLWETXIBAAFAC-HZPDHXFCSA-N 1 2 310.401 3.383 10 0 DGAELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000179891348 323216531 /nfs/dbraw/zinc/21/65/31/323216531.db2.gz SRGDLQGSLIBRHR-ZDUSSCGKSA-N 1 2 316.376 3.432 10 0 DGAELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)NCC1CCCCC1 ZINC000179902169 323216571 /nfs/dbraw/zinc/21/65/71/323216571.db2.gz FPSXVCCQUNREIY-ZDUSSCGKSA-N 1 2 322.424 3.181 10 0 DGAELO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1F ZINC000179904685 323216728 /nfs/dbraw/zinc/21/67/28/323216728.db2.gz DHRFLQLXZLQGCK-LLVKDONJSA-N 1 2 320.339 3.263 10 0 DGAELO Cc1cc(NCCCCOC(C)C)nc(-c2cccnc2)[nH+]1 ZINC000181571697 323259311 /nfs/dbraw/zinc/25/93/11/323259311.db2.gz QCNANWALZDXCSG-UHFFFAOYSA-N 1 2 300.406 3.464 10 0 DGAELO Cc1cnc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)n2C)s1 ZINC000184980205 323378216 /nfs/dbraw/zinc/37/82/16/323378216.db2.gz UBBWGSDKOQPWKQ-LBPRGKRZSA-N 1 2 313.430 3.098 10 0 DGAELO CC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1nccs1 ZINC000185045805 323379296 /nfs/dbraw/zinc/37/92/96/323379296.db2.gz HZVVQAPTAFZPLI-LBPRGKRZSA-N 1 2 311.357 3.101 10 0 DGAELO CC[C@@H]([NH2+]CC(=O)Nc1cccc(C)c1C)c1nccs1 ZINC000185074671 323380544 /nfs/dbraw/zinc/38/05/44/323380544.db2.gz DRAKPLXLWRHABB-CYBMUJFWSA-N 1 2 303.431 3.439 10 0 DGAELO CC[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1nccs1 ZINC000185105198 323381238 /nfs/dbraw/zinc/38/12/38/323381238.db2.gz RQUUONJTCJHKNY-CYBMUJFWSA-N 1 2 308.378 3.390 10 0 DGAELO Brc1cnc(C[NH2+]Cc2cnc(C3CC3)o2)s1 ZINC000580993104 324061378 /nfs/dbraw/zinc/06/13/78/324061378.db2.gz YNSXYQAKFXLFSU-UHFFFAOYSA-N 1 2 314.208 3.061 10 0 DGAELO c1ccc2c(c1)CO[C@]21CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000581475701 324121433 /nfs/dbraw/zinc/12/14/33/324121433.db2.gz SNBCZHYTKHBMKK-IBGZPJMESA-N 1 2 322.412 3.077 10 0 DGAELO c1ccc2c(c1)CO[C@]21CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000581475701 324121436 /nfs/dbraw/zinc/12/14/36/324121436.db2.gz SNBCZHYTKHBMKK-IBGZPJMESA-N 1 2 322.412 3.077 10 0 DGAELO Cn1ncc(Br)c1C[NH2+]Cc1cc2ccccc2o1 ZINC000584207797 331866975 /nfs/dbraw/zinc/86/69/75/331866975.db2.gz 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293241398 /nfs/dbraw/zinc/24/13/98/293241398.db2.gz SRWVFODWRBGDAP-JTQLQIEISA-N 1 2 304.419 3.042 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC13CCCCC3)C2 ZINC000372386903 293241649 /nfs/dbraw/zinc/24/16/49/293241649.db2.gz NFZLSFWRNFPERK-BBRMVZONSA-N 1 2 315.461 3.477 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC13CCCCC3)CC2 ZINC000372386903 293241651 /nfs/dbraw/zinc/24/16/51/293241651.db2.gz NFZLSFWRNFPERK-BBRMVZONSA-N 1 2 315.461 3.477 10 0 DGAELO CSCCCCCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000373534739 293287489 /nfs/dbraw/zinc/28/74/89/293287489.db2.gz PIMOWZUPZIRGOW-ZDUSSCGKSA-N 1 2 323.506 3.288 10 0 DGAELO CSCCCCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000373534739 293287492 /nfs/dbraw/zinc/28/74/92/293287492.db2.gz PIMOWZUPZIRGOW-ZDUSSCGKSA-N 1 2 323.506 3.288 10 0 DGAELO CCCCC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000374156203 293359634 /nfs/dbraw/zinc/35/96/34/293359634.db2.gz FAEYLMCLNQWORN-RDJZCZTQSA-N 1 2 320.481 3.032 10 0 DGAELO 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3.182 10 0 DGAELO C[C@@H]1CC[N@H+](Cc2cccc(F)c2Br)CCO1 ZINC000720447079 657747471 /nfs/dbraw/zinc/74/74/71/657747471.db2.gz ICBSBTFGVMRFDA-SNVBAGLBSA-N 1 2 302.187 3.199 10 0 DGAELO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2Br)CCO1 ZINC000720447079 657747481 /nfs/dbraw/zinc/74/74/81/657747481.db2.gz ICBSBTFGVMRFDA-SNVBAGLBSA-N 1 2 302.187 3.199 10 0 DGAELO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1cc(Cl)ccc1Cl ZINC000262907670 658061062 /nfs/dbraw/zinc/06/10/62/658061062.db2.gz FISDMZXEXGBMKS-HQJQHLMTSA-N 1 2 323.170 3.168 10 0 DGAELO COc1cccc(F)c1[C@@H](C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000224496125 659019812 /nfs/dbraw/zinc/01/98/12/659019812.db2.gz BYDOGUGPROMBSA-LLVKDONJSA-N 1 2 324.396 3.104 10 0 DGAELO CC[C@@H](C)C[N@H+](CC)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000174948201 659913902 /nfs/dbraw/zinc/91/39/02/659913902.db2.gz LOMVDRAUZFBVIM-CQSZACIVSA-N 1 2 317.408 3.375 10 0 DGAELO CC[C@@H](C)C[N@@H+](CC)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000174948201 659913903 /nfs/dbraw/zinc/91/39/03/659913903.db2.gz 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Cc1nc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)oc1C ZINC000181438748 199296485 /nfs/dbraw/zinc/29/64/85/199296485.db2.gz HWJMTKKXMJLIHH-ZDUSSCGKSA-N 1 2 313.401 3.269 10 0 DGAELO CCc1nc(NC(=O)NCc2[nH+]ccn2CC(C)C)sc1C ZINC000174350325 529743693 /nfs/dbraw/zinc/74/36/93/529743693.db2.gz AIIMXMJBSMFVAW-UHFFFAOYSA-N 1 2 321.450 3.188 10 0 DGAELO CN(C)c1ccc(NCc2cnc(C(F)(F)F)s2)c[nH+]1 ZINC000443991472 529785363 /nfs/dbraw/zinc/78/53/63/529785363.db2.gz UXOGSJRKRPNNDV-UHFFFAOYSA-N 1 2 302.325 3.235 10 0 DGAELO CN(Cc1[nH+]ccn1C)c1nnc(-c2ccccc2Cl)s1 ZINC000302156651 530027739 /nfs/dbraw/zinc/02/77/39/530027739.db2.gz NCXGYYADAWTHSP-UHFFFAOYSA-N 1 2 319.821 3.228 10 0 DGAELO CCCn1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cn1 ZINC000129969522 432012464 /nfs/dbraw/zinc/01/24/64/432012464.db2.gz IVONFCJDOTXVCB-KSSFIOAISA-N 1 2 317.408 3.394 10 0 DGAELO CCCn1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cn1 ZINC000129969522 432012465 /nfs/dbraw/zinc/01/24/65/432012465.db2.gz IVONFCJDOTXVCB-KSSFIOAISA-N 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DGAELO CCc1n[nH]c(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n1 ZINC000191694829 165264775 /nfs/dbraw/zinc/26/47/75/165264775.db2.gz IVMUDLONQZUCHX-UHFFFAOYSA-N 1 2 306.360 3.025 10 0 DGAELO CCc1nc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n[nH]1 ZINC000191694829 165264782 /nfs/dbraw/zinc/26/47/82/165264782.db2.gz IVMUDLONQZUCHX-UHFFFAOYSA-N 1 2 306.360 3.025 10 0 DGAELO CCc1nnc(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)[nH]1 ZINC000191688454 165265445 /nfs/dbraw/zinc/26/54/45/165265445.db2.gz PENZQEHZZYIAMA-UHFFFAOYSA-N 1 2 306.360 3.025 10 0 DGAELO CCc1n[nH]c(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)n1 ZINC000191688454 165265447 /nfs/dbraw/zinc/26/54/47/165265447.db2.gz PENZQEHZZYIAMA-UHFFFAOYSA-N 1 2 306.360 3.025 10 0 DGAELO CCc1nc(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)n[nH]1 ZINC000191688454 165265451 /nfs/dbraw/zinc/26/54/51/165265451.db2.gz PENZQEHZZYIAMA-UHFFFAOYSA-N 1 2 306.360 3.025 10 0 DGAELO Cc1n[nH]cc1NC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000194597962 165351317 /nfs/dbraw/zinc/35/13/17/165351317.db2.gz OSUVNHWZBFFCKN-UHFFFAOYSA-N 1 2 324.388 3.438 10 0 DGAELO CCCCc1nc(C[NH+]2CCC(c3cnn(CC)c3)CC2)no1 ZINC000195500950 165372342 /nfs/dbraw/zinc/37/23/42/165372342.db2.gz YTIDOXGUORPJHV-UHFFFAOYSA-N 1 2 317.437 3.008 10 0 DGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000195520044 165373712 /nfs/dbraw/zinc/37/37/12/165373712.db2.gz YFDCDOLHXAUCHG-MRXNPFEDSA-N 1 2 318.442 3.456 10 0 DGAELO O=C(Nc1ccc2nc(C3CC3)sc2c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263008259 165828526 /nfs/dbraw/zinc/82/85/26/165828526.db2.gz PLPFKBREMGLRTP-LLVKDONJSA-N 1 2 323.368 3.109 10 0 DGAELO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](Cc2cccc(F)c2)C1 ZINC000246727047 432159027 /nfs/dbraw/zinc/15/90/27/432159027.db2.gz OLVLJUFGXKZIEC-PBHICJAKSA-N 1 2 307.315 3.412 10 0 DGAELO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](Cc2cccc(F)c2)C1 ZINC000246727047 432159031 /nfs/dbraw/zinc/15/90/31/432159031.db2.gz OLVLJUFGXKZIEC-PBHICJAKSA-N 1 2 307.315 3.412 10 0 DGAELO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000246759482 432163810 /nfs/dbraw/zinc/16/38/10/432163810.db2.gz MSDNQNOQERWSKK-VXGBXAGGSA-N 1 2 322.434 3.003 10 0 DGAELO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000246759482 432163814 /nfs/dbraw/zinc/16/38/14/432163814.db2.gz MSDNQNOQERWSKK-VXGBXAGGSA-N 1 2 322.434 3.003 10 0 DGAELO CCc1ccc(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000171728213 432165126 /nfs/dbraw/zinc/16/51/26/432165126.db2.gz KEARJAXOBLMKGT-INIZCTEOSA-N 1 2 312.417 3.409 10 0 DGAELO CC(C)n1ncnc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000149001404 432188527 /nfs/dbraw/zinc/18/85/27/432188527.db2.gz DFNMUCTZNRHLQH-NSHDSACASA-N 1 2 323.238 3.472 10 0 DGAELO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)Cc1ccc(F)cc1 ZINC000171990038 432189705 /nfs/dbraw/zinc/18/97/05/432189705.db2.gz WVMMJAOXAOHDAF-LBPRGKRZSA-N 1 2 312.348 3.464 10 0 DGAELO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000171990038 432189710 /nfs/dbraw/zinc/18/97/10/432189710.db2.gz WVMMJAOXAOHDAF-LBPRGKRZSA-N 1 2 312.348 3.464 10 0 DGAELO CO[C@@H](C)C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000182468250 432191805 /nfs/dbraw/zinc/19/18/05/432191805.db2.gz OFMXBJUAMTVIQG-FZMZJTMJSA-N 1 2 303.324 3.114 10 0 DGAELO CO[C@@H](C)C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000182468250 432191810 /nfs/dbraw/zinc/19/18/10/432191810.db2.gz OFMXBJUAMTVIQG-FZMZJTMJSA-N 1 2 303.324 3.114 10 0 DGAELO CCn1c(C)nnc1C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000172059043 432193674 /nfs/dbraw/zinc/19/36/74/432193674.db2.gz BFGSUZSDUFHIMG-MRXNPFEDSA-N 1 2 316.474 3.205 10 0 DGAELO CCn1c(C)nnc1C[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000172059043 432193678 /nfs/dbraw/zinc/19/36/78/432193678.db2.gz BFGSUZSDUFHIMG-MRXNPFEDSA-N 1 2 316.474 3.205 10 0 DGAELO CC[C@@H](C)N(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190881777 432196779 /nfs/dbraw/zinc/19/67/79/432196779.db2.gz GZIOYLAYIOYRGQ-CYBMUJFWSA-N 1 2 323.868 3.138 10 0 DGAELO CC[C@@H](C)N(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190881777 432196781 /nfs/dbraw/zinc/19/67/81/432196781.db2.gz GZIOYLAYIOYRGQ-CYBMUJFWSA-N 1 2 323.868 3.138 10 0 DGAELO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cccc2c1OCO2 ZINC000130632870 196096767 /nfs/dbraw/zinc/09/67/67/196096767.db2.gz ALEWUUAYHXLKQC-KDOFPFPSSA-N 1 2 311.381 3.377 10 0 DGAELO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cccc2c1OCO2 ZINC000130632870 196096769 /nfs/dbraw/zinc/09/67/69/196096769.db2.gz ALEWUUAYHXLKQC-KDOFPFPSSA-N 1 2 311.381 3.377 10 0 DGAELO CCc1ccc(CCC(=O)NCc2[nH+]ccn2CC(C)C)cc1 ZINC000131257070 196153906 /nfs/dbraw/zinc/15/39/06/196153906.db2.gz YRYGENYKFQOOQV-UHFFFAOYSA-N 1 2 313.445 3.351 10 0 DGAELO C[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000190978567 432208841 /nfs/dbraw/zinc/20/88/41/432208841.db2.gz IYXLUYXXACJLFR-BZUAXINKSA-N 1 2 304.438 3.026 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)C[C@@H](C)c1ccccc1F ZINC000131296579 196158352 /nfs/dbraw/zinc/15/83/52/196158352.db2.gz DEFLFYWUVBGVCQ-CQSZACIVSA-N 1 2 317.408 3.488 10 0 DGAELO Fc1ccc(-n2ccc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000247236795 432215183 /nfs/dbraw/zinc/21/51/83/432215183.db2.gz DJNPLAKJVFERRJ-QZTJIDSGSA-N 1 2 315.392 3.155 10 0 DGAELO Fc1ccc(-n2ccc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000247236795 432215185 /nfs/dbraw/zinc/21/51/85/432215185.db2.gz DJNPLAKJVFERRJ-QZTJIDSGSA-N 1 2 315.392 3.155 10 0 DGAELO Cc1ccccc1NC(=O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190958778 432205668 /nfs/dbraw/zinc/20/56/68/432205668.db2.gz CCZNDHBESRFCNK-UHFFFAOYSA-N 1 2 316.445 3.357 10 0 DGAELO Cc1ccccc1NC(=O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190958778 432205673 /nfs/dbraw/zinc/20/56/73/432205673.db2.gz CCZNDHBESRFCNK-UHFFFAOYSA-N 1 2 316.445 3.357 10 0 DGAELO CCCCCC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000247133014 432206040 /nfs/dbraw/zinc/20/60/40/432206040.db2.gz XRXMYEZDPMJCEP-GJZGRUSLSA-N 1 2 324.490 3.206 10 0 DGAELO CCCCCC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000247133014 432206044 /nfs/dbraw/zinc/20/60/44/432206044.db2.gz XRXMYEZDPMJCEP-GJZGRUSLSA-N 1 2 324.490 3.206 10 0 DGAELO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)o1 ZINC000131487769 196173139 /nfs/dbraw/zinc/17/31/39/196173139.db2.gz ATOKWKHKOBBRTG-GFCCVEGCSA-N 1 2 319.405 3.140 10 0 DGAELO Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)o1 ZINC000131487769 196173141 /nfs/dbraw/zinc/17/31/41/196173141.db2.gz ATOKWKHKOBBRTG-GFCCVEGCSA-N 1 2 319.405 3.140 10 0 DGAELO c1coc(-c2nc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)cs2)c1 ZINC000247329149 432223299 /nfs/dbraw/zinc/22/32/99/432223299.db2.gz WTIRMVQZSHPVCW-OCCSQVGLSA-N 1 2 322.455 3.109 10 0 DGAELO c1coc(-c2nc(C[N@H+]3CCS[C@H]4COCC[C@H]43)cs2)c1 ZINC000247329149 432223301 /nfs/dbraw/zinc/22/33/01/432223301.db2.gz WTIRMVQZSHPVCW-OCCSQVGLSA-N 1 2 322.455 3.109 10 0 DGAELO CCc1nnc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)o2)n1C ZINC000172598481 432223882 /nfs/dbraw/zinc/22/38/82/432223882.db2.gz QTWDGYPRVRYGAL-CQSZACIVSA-N 1 2 302.422 3.396 10 0 DGAELO CCc1nnc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)o2)n1C ZINC000172598481 432223884 /nfs/dbraw/zinc/22/38/84/432223884.db2.gz QTWDGYPRVRYGAL-CQSZACIVSA-N 1 2 302.422 3.396 10 0 DGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2c(Cl)nc3ccccn32)cn1 ZINC000131825156 196202051 /nfs/dbraw/zinc/20/20/51/196202051.db2.gz DEGXENMKPLLVES-ZDUSSCGKSA-N 1 2 315.808 3.058 10 0 DGAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2c(Cl)nc3ccccn32)cn1 ZINC000131825156 196202053 /nfs/dbraw/zinc/20/20/53/196202053.db2.gz DEGXENMKPLLVES-ZDUSSCGKSA-N 1 2 315.808 3.058 10 0 DGAELO CCC[C@@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)C(=O)OCC ZINC000133099752 196311610 /nfs/dbraw/zinc/31/16/10/196311610.db2.gz SWCNOBRVCXEZLQ-MRXNPFEDSA-N 1 2 315.417 3.002 10 0 DGAELO Cc1cc(NCCc2nc(-c3ccccc3)n[nH]2)nc(C2CC2)[nH+]1 ZINC000134024073 196354636 /nfs/dbraw/zinc/35/46/36/196354636.db2.gz HXSGEHQMEGCZRF-UHFFFAOYSA-N 1 2 320.400 3.102 10 0 DGAELO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nnc1C ZINC000302261111 230202679 /nfs/dbraw/zinc/20/26/79/230202679.db2.gz DKFAJJFBNNWBMW-UHFFFAOYSA-N 1 2 316.836 3.069 10 0 DGAELO Cc1cc(N2CCSCC[C@H]2C)nc(-c2ccncc2)[nH+]1 ZINC000302681994 230346967 /nfs/dbraw/zinc/34/69/67/230346967.db2.gz ADTFMZSERCQOMA-CYBMUJFWSA-N 1 2 300.431 3.179 10 0 DGAELO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nc(N(C)C)no1 ZINC000192797500 263785146 /nfs/dbraw/zinc/78/51/46/263785146.db2.gz XSADAQFCPAGJHN-NSHDSACASA-N 1 2 300.362 3.041 10 0 DGAELO c1cc([C@@H]2CCCCN2Cc2c[nH+]cn2Cc2ccccc2)n[nH]1 ZINC000352214138 264967880 /nfs/dbraw/zinc/96/78/80/264967880.db2.gz YDVBWDZOKJCAPF-IBGZPJMESA-N 1 2 321.428 3.382 10 0 DGAELO Cc1nc(C[NH+]2CCC(Oc3ccc(C)cn3)CC2)oc1C ZINC000182840856 432234754 /nfs/dbraw/zinc/23/47/54/432234754.db2.gz YDIHZXAZRWMCSD-UHFFFAOYSA-N 1 2 301.390 3.038 10 0 DGAELO COc1ccc(-c2cnc(C[NH2+][C@@H](CO)c3ccccc3)o2)cc1 ZINC000182917814 432241446 /nfs/dbraw/zinc/24/14/46/432241446.db2.gz IGTOKSNZJPLFSZ-KRWDZBQOSA-N 1 2 324.380 3.173 10 0 DGAELO CC[C@@H]1[C@@H](C)CCN1C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369568387 271294394 /nfs/dbraw/zinc/29/43/94/271294394.db2.gz IAAUMWNSUHJWCH-HEHGZKQESA-N 1 2 303.450 3.285 10 0 DGAELO CC[C@@H]1[C@@H](C)CCN1C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369568387 271294395 /nfs/dbraw/zinc/29/43/95/271294395.db2.gz IAAUMWNSUHJWCH-HEHGZKQESA-N 1 2 303.450 3.285 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCCC(F)(F)F)C2 ZINC000369638142 271303219 /nfs/dbraw/zinc/30/32/19/271303219.db2.gz JMQJOOAUXJYWPP-SNVBAGLBSA-N 1 2 317.355 3.097 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCCC(F)(F)F)CC2 ZINC000369638142 271303223 /nfs/dbraw/zinc/30/32/23/271303223.db2.gz JMQJOOAUXJYWPP-SNVBAGLBSA-N 1 2 317.355 3.097 10 0 DGAELO O=C(C1CC[NH+](CC(F)F)CC1)N1CCC2(C1)CCCCC2 ZINC000370575866 271371425 /nfs/dbraw/zinc/37/14/25/271371425.db2.gz MYMWFKYLHCJTTB-UHFFFAOYSA-N 1 2 314.420 3.146 10 0 DGAELO Cc1ccc2c(C[N@@H+]3CCC[C@H]3c3cc[nH]n3)cc(=O)oc2c1 ZINC000370604477 271373491 /nfs/dbraw/zinc/37/34/91/271373491.db2.gz ZVVXDPYYWXTBGN-INIZCTEOSA-N 1 2 309.369 3.162 10 0 DGAELO Cc1ccc2c(C[N@H+]3CCC[C@H]3c3cc[nH]n3)cc(=O)oc2c1 ZINC000370604477 271373495 /nfs/dbraw/zinc/37/34/95/271373495.db2.gz ZVVXDPYYWXTBGN-INIZCTEOSA-N 1 2 309.369 3.162 10 0 DGAELO CC(=O)N1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)c2ccccc21 ZINC000533796463 430160421 /nfs/dbraw/zinc/16/04/21/430160421.db2.gz IXUTYMAUWSNWGW-HNNXBMFYSA-N 1 2 308.385 3.264 10 0 DGAELO c1cn(CCCCNc2ncnc3c4ccccc4oc32)c[nH+]1 ZINC000540390810 430179551 /nfs/dbraw/zinc/17/95/51/430179551.db2.gz PVBMIUGHLPQURP-UHFFFAOYSA-N 1 2 307.357 3.465 10 0 DGAELO C[C@@](O)(C[N@@H+]1CCc2c(Cl)cc(F)cc2C1)C(F)(F)F ZINC000451162580 278116310 /nfs/dbraw/zinc/11/63/10/278116310.db2.gz PUPAHPKCFGYWNB-GFCCVEGCSA-N 1 2 311.706 3.151 10 0 DGAELO C[C@@](O)(C[N@H+]1CCc2c(Cl)cc(F)cc2C1)C(F)(F)F ZINC000451162580 278116311 /nfs/dbraw/zinc/11/63/11/278116311.db2.gz PUPAHPKCFGYWNB-GFCCVEGCSA-N 1 2 311.706 3.151 10 0 DGAELO CC(=O)[C@H](C)CCCCC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295810120 278233717 /nfs/dbraw/zinc/23/37/17/278233717.db2.gz GVTVAIMFQVPSOS-CJNGLKHVSA-N 1 2 319.449 3.115 10 0 DGAELO CC1(C)CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156563523 278287538 /nfs/dbraw/zinc/28/75/38/278287538.db2.gz PEQXSMDYJNBIJP-CRAIPNDOSA-N 1 2 323.440 3.275 10 0 DGAELO CC(C)c1nc(N[C@@H](C)c2ccc(-n3cncn3)cc2)cc[nH+]1 ZINC000110117389 431184485 /nfs/dbraw/zinc/18/44/85/431184485.db2.gz GVLGCVHPOLDYJY-ZDUSSCGKSA-N 1 2 308.389 3.354 10 0 DGAELO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000069084411 431160341 /nfs/dbraw/zinc/16/03/41/431160341.db2.gz AKEADWLTXKQEJP-OAHLLOKOSA-N 1 2 312.417 3.038 10 0 DGAELO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000069084411 431160350 /nfs/dbraw/zinc/16/03/50/431160350.db2.gz AKEADWLTXKQEJP-OAHLLOKOSA-N 1 2 312.417 3.038 10 0 DGAELO COC(=O)CC[N@@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000111697102 431231573 /nfs/dbraw/zinc/23/15/73/431231573.db2.gz COTPQHVULZQKHV-CQSZACIVSA-N 1 2 311.809 3.055 10 0 DGAELO COC(=O)CC[N@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000111697102 431231580 /nfs/dbraw/zinc/23/15/80/431231580.db2.gz 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c1cc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)nc2c1CCC2 ZINC000581771693 324155326 /nfs/dbraw/zinc/15/53/26/324155326.db2.gz JMHUAOGVKHLCPW-LJQANCHMSA-N 1 2 300.446 3.351 10 0 DGAELO c1cc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)nc2c1CCC2 ZINC000581771693 324155330 /nfs/dbraw/zinc/15/53/30/324155330.db2.gz JMHUAOGVKHLCPW-LJQANCHMSA-N 1 2 300.446 3.351 10 0 DGAELO CCCOc1ccc(C[NH2+]C(C)(C)c2noc(CC)n2)cc1 ZINC000583544045 324366812 /nfs/dbraw/zinc/36/68/12/324366812.db2.gz YFIOFXSGIJXXRL-UHFFFAOYSA-N 1 2 303.406 3.446 10 0 DGAELO COC(=O)[C@@H]([NH2+]C[C@@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000154509219 534278405 /nfs/dbraw/zinc/27/84/05/534278405.db2.gz SHBCPODRRTVYSM-KDOFPFPSSA-N 1 2 313.397 3.303 10 0 DGAELO CC1(C)CCCC[C@H]1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000156776224 520318506 /nfs/dbraw/zinc/31/85/06/520318506.db2.gz KZMRNVKCKHDVEH-LSDHHAIUSA-N 1 2 304.438 3.026 10 0 DGAELO CCCc1noc(C[NH+]2CCC(c3nc(C)cs3)CC2)n1 ZINC000156668310 521582798 /nfs/dbraw/zinc/58/27/98/521582798.db2.gz YINOOQJFAGZEBY-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/36/76/05/529367605.db2.gz ABRWNIUDBICEDM-HTQZYQBOSA-N 1 2 309.262 3.448 10 0 DGAELO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC2(CC2)c2ccccc21 ZINC000459058678 536116422 /nfs/dbraw/zinc/11/64/22/536116422.db2.gz MSXUCCPLYMPLBJ-CYBMUJFWSA-N 1 2 310.401 3.225 10 0 DGAELO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cncnc1 ZINC000127013485 545926226 /nfs/dbraw/zinc/92/62/26/545926226.db2.gz OGPHRCWEAMQECK-QGZVFWFLSA-N 1 2 307.401 3.183 10 0 DGAELO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cncnc1 ZINC000127013485 545926231 /nfs/dbraw/zinc/92/62/31/545926231.db2.gz OGPHRCWEAMQECK-QGZVFWFLSA-N 1 2 307.401 3.183 10 0 DGAELO c1ccc(-c2noc([C@H]3CCCC[N@H+]3Cc3cncnc3)n2)cc1 ZINC000130811436 545952675 /nfs/dbraw/zinc/95/26/75/545952675.db2.gz RYADWTYVPPCRMP-MRXNPFEDSA-N 1 2 321.384 3.254 10 0 DGAELO c1ccc(-c2noc([C@H]3CCCC[N@@H+]3Cc3cncnc3)n2)cc1 ZINC000130811436 545952679 /nfs/dbraw/zinc/95/26/79/545952679.db2.gz RYADWTYVPPCRMP-MRXNPFEDSA-N 1 2 321.384 3.254 10 0 DGAELO Fc1ccc2oc(C[NH+]3CCC(c4ccn[nH]4)CC3)nc2c1 ZINC000150901856 545989411 /nfs/dbraw/zinc/98/94/11/545989411.db2.gz TYTYFQGWQRIDAZ-UHFFFAOYSA-N 1 2 300.337 3.070 10 0 DGAELO CC(C)COc1ccc([C@H](C)[NH2+]Cc2nnnn2C(C)C)cc1 ZINC000181408323 546157189 /nfs/dbraw/zinc/15/71/89/546157189.db2.gz CGJKWKMYFRNLEG-AWEZNQCLSA-N 1 2 317.437 3.140 10 0 DGAELO CCc1nnc(C[NH2+][C@@H](C)c2cccc(Br)c2)o1 ZINC000182568325 546165894 /nfs/dbraw/zinc/16/58/94/546165894.db2.gz BPBFZKUQHXHIQT-VIFPVBQESA-N 1 2 310.195 3.245 10 0 DGAELO C[C@H]1C[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C)O1 ZINC000183219190 546173087 /nfs/dbraw/zinc/17/30/87/546173087.db2.gz MFXGYRFVBXJWMO-QWRGUYRKSA-N 1 2 321.314 3.376 10 0 DGAELO C[C@@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(F)cc1Cl ZINC000183792440 546178415 /nfs/dbraw/zinc/17/84/15/546178415.db2.gz DFTSFFNSCQNSFS-SNVBAGLBSA-N 1 2 304.756 3.373 10 0 DGAELO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccnn1C ZINC000193228243 546241778 /nfs/dbraw/zinc/24/17/78/546241778.db2.gz ZVBNBBGMSLANKT-LLVKDONJSA-N 1 2 301.781 3.432 10 0 DGAELO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220602443 546264850 /nfs/dbraw/zinc/26/48/50/546264850.db2.gz QNSNRZVROAPFMP-SNVBAGLBSA-N 1 2 319.792 3.124 10 0 DGAELO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220602443 546264857 /nfs/dbraw/zinc/26/48/57/546264857.db2.gz QNSNRZVROAPFMP-SNVBAGLBSA-N 1 2 319.792 3.124 10 0 DGAELO CCC1(c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)CCCCC1 ZINC000329556001 546487524 /nfs/dbraw/zinc/48/75/24/546487524.db2.gz DVMKZAAILKCWOL-CQSZACIVSA-N 1 2 307.438 3.463 10 0 DGAELO CCC1(c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)CCCCC1 ZINC000329556001 546487525 /nfs/dbraw/zinc/48/75/25/546487525.db2.gz DVMKZAAILKCWOL-CQSZACIVSA-N 1 2 307.438 3.463 10 0 DGAELO C1CC[N@@H+]2C[C@@H](c3noc(C4CCCCCC4)n3)OC[C@@H]2C1 ZINC000329592602 546488049 /nfs/dbraw/zinc/48/80/49/546488049.db2.gz BZVHDHOGXZCZGZ-GJZGRUSLSA-N 1 2 305.422 3.433 10 0 DGAELO C1CC[N@H+]2C[C@@H](c3noc(C4CCCCCC4)n3)OC[C@@H]2C1 ZINC000329592602 546488053 /nfs/dbraw/zinc/48/80/53/546488053.db2.gz BZVHDHOGXZCZGZ-GJZGRUSLSA-N 1 2 305.422 3.433 10 0 DGAELO Cc1cc(F)ccc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000329721275 546490586 /nfs/dbraw/zinc/49/05/86/546490586.db2.gz NAYRBVFMHKWXQB-ZFWWWQNUSA-N 1 2 317.364 3.110 10 0 DGAELO Cc1cc(F)ccc1-c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000329721275 546490589 /nfs/dbraw/zinc/49/05/89/546490589.db2.gz NAYRBVFMHKWXQB-ZFWWWQNUSA-N 1 2 317.364 3.110 10 0 DGAELO CCc1cc(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)nc[nH+]1 ZINC000733188287 574606167 /nfs/dbraw/zinc/60/61/67/574606167.db2.gz BAJWEWBMUHYPNR-ZDUSSCGKSA-N 1 2 310.401 3.339 10 0 DGAELO CCc1cc(N[C@H](C)c2ccc(N3CCCC3=O)cc2)nc[nH+]1 ZINC000733188286 574606180 /nfs/dbraw/zinc/60/61/80/574606180.db2.gz BAJWEWBMUHYPNR-CYBMUJFWSA-N 1 2 310.401 3.339 10 0 DGAELO O=C(Nc1ccc2[nH+]ccn2c1)c1nc(Cl)ccc1Cl ZINC000733872266 574641063 /nfs/dbraw/zinc/64/10/63/574641063.db2.gz JXUHMQRYOPYFOA-UHFFFAOYSA-N 1 2 307.140 3.288 10 0 DGAELO Brc1c(C[NH2+]Cc2ccccc2)nc2ccccn21 ZINC000733902124 574642078 /nfs/dbraw/zinc/64/20/78/574642078.db2.gz LZEBYBSMOJTAQQ-UHFFFAOYSA-N 1 2 316.202 3.387 10 0 DGAELO Cc1csc(C[NH2+]Cc2nc(-c3ccncc3)cs2)n1 ZINC000735321339 574698012 /nfs/dbraw/zinc/69/80/12/574698012.db2.gz OQQCJDSTGUWPOG-UHFFFAOYSA-N 1 2 302.428 3.260 10 0 DGAELO C[C@@H]1C[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000245619409 662237221 /nfs/dbraw/zinc/23/72/21/662237221.db2.gz DSNSVMKGGFYMFR-GPCCPHFNSA-N 1 2 304.217 3.136 10 0 DGAELO Cc1conc1C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000708247172 660919449 /nfs/dbraw/zinc/91/94/49/660919449.db2.gz XJRCNFAXTMIFAD-GFCCVEGCSA-N 1 2 323.190 3.359 10 0 DGAELO C=C(Br)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077483285 655568604 /nfs/dbraw/zinc/56/86/04/655568604.db2.gz RMGWGRVEERMPMY-LBPRGKRZSA-N 1 2 310.191 3.461 10 0 DGAELO C=C(Br)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077483285 655568605 /nfs/dbraw/zinc/56/86/05/655568605.db2.gz RMGWGRVEERMPMY-LBPRGKRZSA-N 1 2 310.191 3.461 10 0 DGAELO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)co2)C1 ZINC000724398212 655758508 /nfs/dbraw/zinc/75/85/08/655758508.db2.gz FBSCLQZQAGFSFG-LBPRGKRZSA-N 1 2 323.437 3.071 10 0 DGAELO C[C@H]([NH2+]Cc1cn(C)nc1Br)c1ccccc1F ZINC000712458987 661188582 /nfs/dbraw/zinc/18/85/82/661188582.db2.gz AUULHKCVOUHSRJ-VIFPVBQESA-N 1 2 312.186 3.173 10 0 DGAELO C/C(=C\c1ccc(F)cc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000255718570 655891857 /nfs/dbraw/zinc/89/18/57/655891857.db2.gz WKFZRNAYVXHREZ-BUHFOSPRSA-N 1 2 313.376 3.242 10 0 DGAELO C=CC[N@H+](CCc1ccccc1)Cc1cnn(-c2ccccc2)n1 ZINC000065959495 655921651 /nfs/dbraw/zinc/92/16/51/655921651.db2.gz CYBZDDJDGREBRE-UHFFFAOYSA-N 1 2 318.424 3.498 10 0 DGAELO C=CC[N@@H+](CCc1ccccc1)Cc1cnn(-c2ccccc2)n1 ZINC000065959495 655921653 /nfs/dbraw/zinc/92/16/53/655921653.db2.gz CYBZDDJDGREBRE-UHFFFAOYSA-N 1 2 318.424 3.498 10 0 DGAELO C[C@H]1SCC[N@H+](Cc2ncccc2Br)[C@@H]1C ZINC000309204976 655922295 /nfs/dbraw/zinc/92/22/95/655922295.db2.gz FZUBUZSUFLXUCD-NXEZZACHSA-N 1 2 301.253 3.170 10 0 DGAELO C[C@H]1SCC[N@@H+](Cc2ncccc2Br)[C@@H]1C ZINC000309204976 655922298 /nfs/dbraw/zinc/92/22/98/655922298.db2.gz FZUBUZSUFLXUCD-NXEZZACHSA-N 1 2 301.253 3.170 10 0 DGAELO Cc1cccc(CCCOCCOC(=O)c2ccccc2F)[nH+]1 ZINC000066780515 656048263 /nfs/dbraw/zinc/04/82/63/656048263.db2.gz HJAHFOPBCSMMPE-UHFFFAOYSA-N 1 2 317.360 3.335 10 0 DGAELO Cc1cc(C[NH2+]Cc2ncc(Br)s2)c(C)o1 ZINC000309851833 656122425 /nfs/dbraw/zinc/12/24/25/656122425.db2.gz JDKGVVOMMOBAHE-UHFFFAOYSA-N 1 2 301.209 3.405 10 0 DGAELO CC[N@H+](C)[C@H](C(=O)OCCC[C@H]1CCCO1)c1ccccc1 ZINC000248491024 657029574 /nfs/dbraw/zinc/02/95/74/657029574.db2.gz ILJQIITYNDSHQI-SJORKVTESA-N 1 2 305.418 3.182 10 0 DGAELO CC[N@@H+](C)[C@H](C(=O)OCCC[C@H]1CCCO1)c1ccccc1 ZINC000248491024 657029575 /nfs/dbraw/zinc/02/95/75/657029575.db2.gz ILJQIITYNDSHQI-SJORKVTESA-N 1 2 305.418 3.182 10 0 DGAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000249873216 657435615 /nfs/dbraw/zinc/43/56/15/657435615.db2.gz GMLJTVRFCOOCOQ-CORIIIEPSA-N 1 2 322.453 3.157 10 0 DGAELO C/C(=C/c1ccco1)C[NH+]1CCN(c2ccncc2F)CC1 ZINC000096856788 657559160 /nfs/dbraw/zinc/55/91/60/657559160.db2.gz NGSYIWXYHNFVSN-KAMYIIQDSA-N 1 2 301.365 3.039 10 0 DGAELO C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)CCO1 ZINC000720448219 657752469 /nfs/dbraw/zinc/75/24/69/657752469.db2.gz NNZZOGNQSDRJNH-JTQLQIEISA-N 1 2 302.187 3.199 10 0 DGAELO C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)CCO1 ZINC000720448219 657752475 /nfs/dbraw/zinc/75/24/75/657752475.db2.gz NNZZOGNQSDRJNH-JTQLQIEISA-N 1 2 302.187 3.199 10 0 DGAELO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)s1)c1cn(C)nn1 ZINC000720606180 658013245 /nfs/dbraw/zinc/01/32/45/658013245.db2.gz JUYVTTRKAXLYSG-HTQZYQBOSA-N 1 2 304.341 3.307 10 0 DGAELO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)s1)c1cn(C)nn1 ZINC000720606189 658015980 /nfs/dbraw/zinc/01/59/80/658015980.db2.gz JUYVTTRKAXLYSG-YUMQZZPRSA-N 1 2 304.341 3.307 10 0 DGAELO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cn(C)nc2Br)o1 ZINC000720680266 658064933 /nfs/dbraw/zinc/06/49/33/658064933.db2.gz GLTAUZAMWHCOET-JOYOIKCWSA-N 1 2 324.222 3.189 10 0 DGAELO C[C@H]1OCC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)[C@H]1C ZINC000156506906 658925396 /nfs/dbraw/zinc/92/53/96/658925396.db2.gz GDQXKUXVCCGERK-QWHCGFSZSA-N 1 2 308.447 3.070 10 0 DGAELO C[C@H]1OCC[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)[C@H]1C ZINC000156506906 658925400 /nfs/dbraw/zinc/92/54/00/658925400.db2.gz GDQXKUXVCCGERK-QWHCGFSZSA-N 1 2 308.447 3.070 10 0 DGAELO CC[C@@H](CO)Nc1nc(N2CCC[C@@H](C)C2)[nH+]c2ccccc21 ZINC000224127703 659010718 /nfs/dbraw/zinc/01/07/18/659010718.db2.gz NSHMPBUIAVWDQA-KGLIPLIRSA-N 1 2 314.433 3.049 10 0 DGAELO Cc1cccc(CCCOC(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000171295107 659272888 /nfs/dbraw/zinc/27/28/88/659272888.db2.gz VZVFZAMOZBJQNQ-UHFFFAOYSA-N 1 2 321.380 3.365 10 0 DGAELO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000174069885 659410691 /nfs/dbraw/zinc/41/06/91/659410691.db2.gz QXOCYDKTONVTDV-STQMWFEESA-N 1 2 306.372 3.113 10 0 DGAELO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000174069885 659410693 /nfs/dbraw/zinc/41/06/93/659410693.db2.gz QXOCYDKTONVTDV-STQMWFEESA-N 1 2 306.372 3.113 10 0 DGAELO CCCCOC(=O)CC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000174247177 659423108 /nfs/dbraw/zinc/42/31/08/659423108.db2.gz SFBDEZWUFZVYNA-UHFFFAOYSA-N 1 2 321.421 3.039 10 0 DGAELO O=C(OCC(F)(F)C(F)F)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000175435409 659921197 /nfs/dbraw/zinc/92/11/97/659921197.db2.gz LEVQEFCYVZFFPI-GFCCVEGCSA-N 1 2 319.298 3.095 10 0 DGAELO O=C(OCC(F)(F)C(F)F)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000175435409 659921199 /nfs/dbraw/zinc/92/11/99/659921199.db2.gz LEVQEFCYVZFFPI-GFCCVEGCSA-N 1 2 319.298 3.095 10 0 DGAELO Cc1cnc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000175476302 659922515 /nfs/dbraw/zinc/92/25/15/659922515.db2.gz ATEXYYPAASUEDD-MRXNPFEDSA-N 1 2 314.385 3.081 10 0 DGAELO Cc1cnc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC000175476302 659922518 /nfs/dbraw/zinc/92/25/18/659922518.db2.gz ATEXYYPAASUEDD-MRXNPFEDSA-N 1 2 314.385 3.081 10 0 DGAELO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000159998047 661899220 /nfs/dbraw/zinc/89/92/20/661899220.db2.gz SWONCDRTLPPHFP-KGLIPLIRSA-N 1 2 310.463 3.363 10 0 DGAELO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000159998047 661899222 /nfs/dbraw/zinc/89/92/22/661899222.db2.gz SWONCDRTLPPHFP-KGLIPLIRSA-N 1 2 310.463 3.363 10 0 DGAELO CCCCOC(=O)[C@H](C)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914034 661996992 /nfs/dbraw/zinc/99/69/92/661996992.db2.gz RZDIWVUMPRYOIT-GJZGRUSLSA-N 1 2 315.417 3.255 10 0 DGAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(Cl)c1O ZINC000245864201 662242857 /nfs/dbraw/zinc/24/28/57/662242857.db2.gz JKVDQHVYHQISBL-DFBGVHRSSA-N 1 2 323.820 3.352 10 0 DGAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(Cl)c1O ZINC000245864201 662242859 /nfs/dbraw/zinc/24/28/59/662242859.db2.gz JKVDQHVYHQISBL-DFBGVHRSSA-N 1 2 323.820 3.352 10 0 DGAELO c1cn(Cc2ccccc2)nc1C[NH2+][C@H]1CCc2cccnc21 ZINC000389936254 685198452 /nfs/dbraw/zinc/19/84/52/685198452.db2.gz IZDCTNAXKFUYAS-SFHVURJKSA-N 1 2 304.397 3.104 10 0 DGAELO c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000389936252 685198521 /nfs/dbraw/zinc/19/85/21/685198521.db2.gz IZDCTNAXKFUYAS-GOSISDBHSA-N 1 2 304.397 3.104 10 0 DGAELO Cc1nnc(C[NH2+]Cc2ccc(Br)c(F)c2)s1 ZINC000391874280 685213091 /nfs/dbraw/zinc/21/30/91/685213091.db2.gz LDXFRPMKNXVMSN-UHFFFAOYSA-N 1 2 316.199 3.038 10 0 DGAELO O[C@@H](C[NH2+][C@H]1CCCC1(F)F)c1cccc(Br)c1 ZINC000398029835 685234077 /nfs/dbraw/zinc/23/40/77/685234077.db2.gz KVRYALCGJHJYHW-RYUDHWBXSA-N 1 2 320.177 3.260 10 0 DGAELO Clc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000390516488 1177714789 /nfs/dbraw/zinc/71/47/89/1177714789.db2.gz CYZZBAPOUMVVSD-UHFFFAOYSA-N 1 2 300.587 3.115 10 0 DGAELO C/C(=C/c1ccc(Cl)cc1)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000588428808 1082240113 /nfs/dbraw/zinc/24/01/13/1082240113.db2.gz IPGGSPKVHDINDQ-FZDNWWAKSA-N 1 2 323.820 3.007 10 0 DGAELO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccccc3)CC2)cc1 ZINC000098137262 1090136958 /nfs/dbraw/zinc/13/69/58/1090136958.db2.gz DMPFUICDYBQUPQ-UHFFFAOYSA-N 1 2 324.424 3.477 10 0 DGAELO O=C(N[C@@H]1CCCc2ccccc21)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177341009 1090927895 /nfs/dbraw/zinc/92/78/95/1090927895.db2.gz QCZIVZCSARGIFP-FUHWJXTLSA-N 1 2 324.428 3.135 10 0 DGAELO C[C@H]1Cc2cc(C[N@@H+]3CCC=C(Br)C3)ccc2O1 ZINC000720754097 1095719822 /nfs/dbraw/zinc/71/98/22/1095719822.db2.gz DLWVEUKNXRXJHP-NSHDSACASA-N 1 2 308.219 3.495 10 0 DGAELO C[C@H]1Cc2cc(C[N@H+]3CCC=C(Br)C3)ccc2O1 ZINC000720754097 1095719830 /nfs/dbraw/zinc/71/98/30/1095719830.db2.gz DLWVEUKNXRXJHP-NSHDSACASA-N 1 2 308.219 3.495 10 0 DGAELO CCn1cc[nH+]c1CSCCOc1ccccc1C(C)=O ZINC000175274484 529581358 /nfs/dbraw/zinc/58/13/58/529581358.db2.gz GYVMKXHLZAQUBX-UHFFFAOYSA-N 1 2 304.415 3.418 10 0 DGAELO c1csc([C@@H]2C[N@H+](Cc3cccc4c3OCO4)CCO2)c1 ZINC000092593778 185327929 /nfs/dbraw/zinc/32/79/29/185327929.db2.gz NNBVAWIDRBFZSU-AWEZNQCLSA-N 1 2 303.383 3.050 10 0 DGAELO c1csc([C@@H]2C[N@@H+](Cc3cccc4c3OCO4)CCO2)c1 ZINC000092593778 185327930 /nfs/dbraw/zinc/32/79/30/185327930.db2.gz NNBVAWIDRBFZSU-AWEZNQCLSA-N 1 2 303.383 3.050 10 0 DGAELO COc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1OC ZINC000092594431 185328281 /nfs/dbraw/zinc/32/82/81/185328281.db2.gz HRNWCHPQQGWZJW-INIZCTEOSA-N 1 2 319.426 3.339 10 0 DGAELO COc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1OC ZINC000092594431 185328282 /nfs/dbraw/zinc/32/82/82/185328282.db2.gz HRNWCHPQQGWZJW-INIZCTEOSA-N 1 2 319.426 3.339 10 0 DGAELO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)o1 ZINC000092831655 185344484 /nfs/dbraw/zinc/34/44/84/185344484.db2.gz YJIOBDAATQBIKO-ZLDLUXBVSA-N 1 2 304.415 3.433 10 0 DGAELO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)o1 ZINC000092831655 185344485 /nfs/dbraw/zinc/34/44/85/185344485.db2.gz YJIOBDAATQBIKO-ZLDLUXBVSA-N 1 2 304.415 3.433 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]CCC(=O)c2ccc(C)cc2)no1 ZINC000441274634 529713997 /nfs/dbraw/zinc/71/39/97/529713997.db2.gz GVAGKGUKFKHVCR-UHFFFAOYSA-N 1 2 301.390 3.038 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]CCOc2ccc(Cl)cc2)no1 ZINC000441242924 529714266 /nfs/dbraw/zinc/71/42/66/529714266.db2.gz HJJFYLCDRIKYGL-UHFFFAOYSA-N 1 2 309.797 3.189 10 0 DGAELO CN1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@@H](c2ccccc2)C1 ZINC000434832469 529773924 /nfs/dbraw/zinc/77/39/24/529773924.db2.gz QWDUSCRKEROWQJ-GOSISDBHSA-N 1 2 322.412 3.158 10 0 DGAELO CN1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)[C@@H](c2ccccc2)C1 ZINC000434832469 529773925 /nfs/dbraw/zinc/77/39/25/529773925.db2.gz QWDUSCRKEROWQJ-GOSISDBHSA-N 1 2 322.412 3.158 10 0 DGAELO Brc1cncc(C[NH+]2CC(Cc3ccco3)C2)c1 ZINC000529649300 313248166 /nfs/dbraw/zinc/24/81/66/313248166.db2.gz QRFDEZVRZIQHTD-UHFFFAOYSA-N 1 2 307.191 3.112 10 0 DGAELO CC(C)(C)OC(=O)CCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000182000135 199372543 /nfs/dbraw/zinc/37/25/43/199372543.db2.gz LROGVOVWIGMCAJ-AWEZNQCLSA-N 1 2 311.447 3.243 10 0 DGAELO CC(C)(C)OC(=O)CCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000182000135 199372545 /nfs/dbraw/zinc/37/25/45/199372545.db2.gz LROGVOVWIGMCAJ-AWEZNQCLSA-N 1 2 311.447 3.243 10 0 DGAELO C[C@@H]1C[NH+](Cc2cccc(SC(=O)N(C)C)c2)C[C@@H](C)O1 ZINC000084061505 192398635 /nfs/dbraw/zinc/39/86/35/192398635.db2.gz WGRGMSVZFOBQBT-CHWSQXEVSA-N 1 2 308.447 3.070 10 0 DGAELO COC[C@@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000171450903 186161952 /nfs/dbraw/zinc/16/19/52/186161952.db2.gz GGCWVXHGIQIKSW-CYBMUJFWSA-N 1 2 313.401 3.107 10 0 DGAELO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)C2CCCC2)c1C ZINC000172233337 198062172 /nfs/dbraw/zinc/06/21/72/198062172.db2.gz YBVOVEWSXBWDHC-CQSZACIVSA-N 1 2 319.449 3.427 10 0 DGAELO CC(C)(C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000172298566 198073559 /nfs/dbraw/zinc/07/35/59/198073559.db2.gz KCDDSWCIADLWOE-UHFFFAOYSA-N 1 2 312.417 3.166 10 0 DGAELO CCc1nnc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)o2)n1C ZINC000172598484 198120573 /nfs/dbraw/zinc/12/05/73/198120573.db2.gz QTWDGYPRVRYGAL-AWEZNQCLSA-N 1 2 302.422 3.396 10 0 DGAELO CCc1nnc(C[N@H+]2CCCCC[C@H]2c2ccc(C)o2)n1C ZINC000172598484 198120575 /nfs/dbraw/zinc/12/05/75/198120575.db2.gz QTWDGYPRVRYGAL-AWEZNQCLSA-N 1 2 302.422 3.396 10 0 DGAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2nnc(C3CC3)n2C)o1 ZINC000172869789 198159795 /nfs/dbraw/zinc/15/97/95/198159795.db2.gz APHWAFAIZSSSGE-AWEZNQCLSA-N 1 2 300.406 3.321 10 0 DGAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2nnc(C3CC3)n2C)o1 ZINC000172869789 198159797 /nfs/dbraw/zinc/15/97/97/198159797.db2.gz APHWAFAIZSSSGE-AWEZNQCLSA-N 1 2 300.406 3.321 10 0 DGAELO CCCCO[C@H](C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173925502 198270746 /nfs/dbraw/zinc/27/07/46/198270746.db2.gz DTRPJPUKAHOWBC-HUUCEWRRSA-N 1 2 315.417 3.255 10 0 DGAELO COc1cc(Cc2[nH+]ccc3cc(OC)c(O)cc32)ccc1O ZINC000003843070 181048065 /nfs/dbraw/zinc/04/80/65/181048065.db2.gz RGKXIMNWLXONBW-UHFFFAOYSA-N 1 2 311.337 3.254 10 0 DGAELO Cc1ccc(C[N@@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)o1 ZINC000073271876 191298647 /nfs/dbraw/zinc/29/86/47/191298647.db2.gz SQXBXRWMTPKQOL-KRWDZBQOSA-N 1 2 316.376 3.179 10 0 DGAELO Cc1ccc(C[N@H+](C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)o1 ZINC000073271876 191298650 /nfs/dbraw/zinc/29/86/50/191298650.db2.gz SQXBXRWMTPKQOL-KRWDZBQOSA-N 1 2 316.376 3.179 10 0 DGAELO CC(C)CCc1noc(C[NH+]2CCC(OCC(C)C)CC2)n1 ZINC000067977822 432048212 /nfs/dbraw/zinc/04/82/12/432048212.db2.gz ZVFJXSRYMUMSLN-UHFFFAOYSA-N 1 2 309.454 3.295 10 0 DGAELO COc1cc([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)ccc1F ZINC000179393013 432056189 /nfs/dbraw/zinc/05/61/89/432056189.db2.gz AFTGDOOZUVXDSG-LBPRGKRZSA-N 1 2 318.396 3.003 10 0 DGAELO CCn1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c2ccccc21 ZINC000177778608 198775756 /nfs/dbraw/zinc/77/57/56/198775756.db2.gz VZUZZMQPSYASOP-OAHLLOKOSA-N 1 2 322.412 3.163 10 0 DGAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC)c1ccccc1OC ZINC000167864287 432067862 /nfs/dbraw/zinc/06/78/62/432067862.db2.gz ZWVZRIFJJXNUMT-LSDHHAIUSA-N 1 2 314.433 3.425 10 0 DGAELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000179923458 432074309 /nfs/dbraw/zinc/07/43/09/432074309.db2.gz OERHVSXFXYKCSO-KCQAQPDRSA-N 1 2 322.424 3.180 10 0 DGAELO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1Cc1cn2cccnc2n1 ZINC000170779192 432080679 /nfs/dbraw/zinc/08/06/79/432080679.db2.gz AHENAXKICLVRFP-KRWDZBQOSA-N 1 2 322.412 3.081 10 0 DGAELO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1Cc1cn2cccnc2n1 ZINC000170779192 432080680 /nfs/dbraw/zinc/08/06/80/432080680.db2.gz AHENAXKICLVRFP-KRWDZBQOSA-N 1 2 322.412 3.081 10 0 DGAELO CCn1cc([C@@H]2C[N@H+](Cc3ccc(Cl)cc3C)CCO2)cn1 ZINC000191705247 200747475 /nfs/dbraw/zinc/74/74/75/200747475.db2.gz KTDQPWKRWNNFFE-KRWDZBQOSA-N 1 2 319.836 3.438 10 0 DGAELO CCn1cc([C@@H]2C[N@@H+](Cc3ccc(Cl)cc3C)CCO2)cn1 ZINC000191705247 200747478 /nfs/dbraw/zinc/74/74/78/200747478.db2.gz KTDQPWKRWNNFFE-KRWDZBQOSA-N 1 2 319.836 3.438 10 0 DGAELO CN(C)c1[nH+]cccc1CNC(=O)CCc1ccc(Cl)s1 ZINC000052992861 283601426 /nfs/dbraw/zinc/60/14/26/283601426.db2.gz JJPPMHWHQMRZKX-UHFFFAOYSA-N 1 2 323.849 3.112 10 0 DGAELO C[C@@H]1C[N@H+](Cc2nsc(N(C)C)n2)CC[C@H]1c1ccccc1 ZINC000246097424 432095782 /nfs/dbraw/zinc/09/57/82/432095782.db2.gz KAYBCUWXLVWLRY-UKRRQHHQSA-N 1 2 316.474 3.230 10 0 DGAELO C[C@@H]1C[N@@H+](Cc2nsc(N(C)C)n2)CC[C@H]1c1ccccc1 ZINC000246097424 432095786 /nfs/dbraw/zinc/09/57/86/432095786.db2.gz KAYBCUWXLVWLRY-UKRRQHHQSA-N 1 2 316.474 3.230 10 0 DGAELO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC23CCC3)c1C ZINC000444269147 239276303 /nfs/dbraw/zinc/27/63/03/239276303.db2.gz KMDXAXQEFKAWGL-CQSZACIVSA-N 1 2 304.434 3.123 10 0 DGAELO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC23CCC3)c1C ZINC000444269147 239276309 /nfs/dbraw/zinc/27/63/09/239276309.db2.gz KMDXAXQEFKAWGL-CQSZACIVSA-N 1 2 304.434 3.123 10 0 DGAELO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246152311 432099774 /nfs/dbraw/zinc/09/97/74/432099774.db2.gz PUDSXWZASITJTL-RYUDHWBXSA-N 1 2 312.866 3.413 10 0 DGAELO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000246152311 432099776 /nfs/dbraw/zinc/09/97/76/432099776.db2.gz PUDSXWZASITJTL-RYUDHWBXSA-N 1 2 312.866 3.413 10 0 DGAELO CC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189883081 432100361 /nfs/dbraw/zinc/10/03/61/432100361.db2.gz DBNPIMOYFDBUSS-UXEPBGEESA-N 1 2 310.388 3.262 10 0 DGAELO CC[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189883081 432100363 /nfs/dbraw/zinc/10/03/63/432100363.db2.gz DBNPIMOYFDBUSS-UXEPBGEESA-N 1 2 310.388 3.262 10 0 DGAELO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc(F)c(F)c1 ZINC000171119580 432104230 /nfs/dbraw/zinc/10/42/30/432104230.db2.gz RYKPUYVXWUYHET-SECBINFHSA-N 1 2 305.284 3.459 10 0 DGAELO CC(C)COc1ccccc1C[NH2+]Cc1nnc2ccccn21 ZINC000449230967 240079491 /nfs/dbraw/zinc/07/94/91/240079491.db2.gz MZHHSWDIOMKQSG-UHFFFAOYSA-N 1 2 310.401 3.054 10 0 DGAELO CCOCc1nc([C@H](C)[NH2+]Cc2cccc3ccoc32)no1 ZINC000449335931 240141591 /nfs/dbraw/zinc/14/15/91/240141591.db2.gz MENYACIASORREU-NSHDSACASA-N 1 2 301.346 3.203 10 0 DGAELO CCCCC[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC000246210694 432107001 /nfs/dbraw/zinc/10/70/01/432107001.db2.gz SJQZXYNNUHKIHN-BZSNNMDCSA-N 1 2 324.509 3.018 10 0 DGAELO C[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000091985830 193136004 /nfs/dbraw/zinc/13/60/04/193136004.db2.gz UDCYETJYSNRFHF-AWEZNQCLSA-N 1 2 307.401 3.070 10 0 DGAELO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000091985830 193136005 /nfs/dbraw/zinc/13/60/05/193136005.db2.gz UDCYETJYSNRFHF-AWEZNQCLSA-N 1 2 307.401 3.070 10 0 DGAELO C[C@@H](CC(=O)N(C)c1ccc[nH+]c1N(C)C)c1ccccc1F ZINC000079722086 283887179 /nfs/dbraw/zinc/88/71/79/283887179.db2.gz WJXZYNSBBOSEIZ-ZDUSSCGKSA-N 1 2 315.392 3.443 10 0 DGAELO Cc1c[nH+]ccc1NC(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000455041302 242093658 /nfs/dbraw/zinc/09/36/58/242093658.db2.gz XNKYMBZLWKCCTL-UHFFFAOYSA-N 1 2 319.767 3.195 10 0 DGAELO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000246270203 432113599 /nfs/dbraw/zinc/11/35/99/432113599.db2.gz QFORZPBWMKZVIP-TZMCWYRMSA-N 1 2 317.458 3.149 10 0 DGAELO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000246270203 432113601 /nfs/dbraw/zinc/11/36/01/432113601.db2.gz QFORZPBWMKZVIP-TZMCWYRMSA-N 1 2 317.458 3.149 10 0 DGAELO CCc1ccc(C[NH+]2CCN(Cc3cncs3)CC2)s1 ZINC000093015226 193194812 /nfs/dbraw/zinc/19/48/12/193194812.db2.gz LZPGXWXABXFKJI-UHFFFAOYSA-N 1 2 307.488 3.085 10 0 DGAELO Cn1nccc1C[N@@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000093364458 193239707 /nfs/dbraw/zinc/23/97/07/193239707.db2.gz IFAXSYRKJWNAFQ-INIZCTEOSA-N 1 2 319.836 3.426 10 0 DGAELO Cn1nccc1C[N@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000093364458 193239708 /nfs/dbraw/zinc/23/97/08/193239708.db2.gz IFAXSYRKJWNAFQ-INIZCTEOSA-N 1 2 319.836 3.426 10 0 DGAELO C[C@@H]1OCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H]1C ZINC000093417745 193246394 /nfs/dbraw/zinc/24/63/94/193246394.db2.gz GOQZNOLYMITQIP-KBPBESRZSA-N 1 2 300.377 3.497 10 0 DGAELO C[C@@H]1OCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H]1C ZINC000093417745 193246395 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CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128577859 284379973 /nfs/dbraw/zinc/37/99/73/284379973.db2.gz WWVHGSQFIYQHLC-ZDUSSCGKSA-N 1 2 324.852 3.098 10 0 DGAELO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128577859 284379974 /nfs/dbraw/zinc/37/99/74/284379974.db2.gz WWVHGSQFIYQHLC-ZDUSSCGKSA-N 1 2 324.852 3.098 10 0 DGAELO CO[C@@H](C)c1noc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000190204972 432131877 /nfs/dbraw/zinc/13/18/77/432131877.db2.gz QAVWNVHHGWMEPL-UWVGGRQHSA-N 1 2 321.343 3.187 10 0 DGAELO O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CSC[NH2+]1 ZINC000019996130 182175263 /nfs/dbraw/zinc/17/52/63/182175263.db2.gz YERUIPOPIUTORJ-VIFPVBQESA-N 1 2 311.621 3.248 10 0 DGAELO CO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000190204972 432131873 /nfs/dbraw/zinc/13/18/73/432131873.db2.gz QAVWNVHHGWMEPL-UWVGGRQHSA-N 1 2 321.343 3.187 10 0 DGAELO Cc1cc(N2CCS[C@H](C)[C@H]2C)nc(-c2ccncc2)[nH+]1 ZINC000246452416 432132852 /nfs/dbraw/zinc/13/28/52/432132852.db2.gz 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ZINC000246626558 432150245 /nfs/dbraw/zinc/15/02/45/432150245.db2.gz ITKRTCIZGHRRNF-KGLIPLIRSA-N 1 2 323.318 3.116 10 0 DGAELO CC(C)n1nnnc1C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180930455 284737812 /nfs/dbraw/zinc/73/78/12/284737812.db2.gz QSMPHJGHIPYWGS-AWEZNQCLSA-N 1 2 322.416 3.167 10 0 DGAELO Cc1cc(C)n(-c2ccc(CNc3cc[nH+]c(C4CC4)n3)cn2)n1 ZINC000110229103 194316911 /nfs/dbraw/zinc/31/69/11/194316911.db2.gz VABNKFZMAOHKNV-UHFFFAOYSA-N 1 2 320.400 3.164 10 0 DGAELO c1cc([C@@H]2C[N@H+](Cc3cccc4nsnc43)CCO2)cs1 ZINC000269026009 207175500 /nfs/dbraw/zinc/17/55/00/207175500.db2.gz QUPWKCIDXCWSNF-AWEZNQCLSA-N 1 2 317.439 3.326 10 0 DGAELO c1cc([C@@H]2C[N@@H+](Cc3cccc4nsnc43)CCO2)cs1 ZINC000269026009 207175503 /nfs/dbraw/zinc/17/55/03/207175503.db2.gz QUPWKCIDXCWSNF-AWEZNQCLSA-N 1 2 317.439 3.326 10 0 DGAELO COC(=O)[C@H](CCSc1ccc(Cl)cc1)[NH2+]C(C)C ZINC000062597862 184245032 /nfs/dbraw/zinc/24/50/32/184245032.db2.gz DFMDMLQKQBNYHG-ZDUSSCGKSA-N 1 2 301.839 3.362 10 0 DGAELO c1cc2c(c([C@H]3CCCN3c3cc[nH+]c(C4CC4)n3)c1)OCCO2 ZINC000112555539 194485942 /nfs/dbraw/zinc/48/59/42/194485942.db2.gz XPHVUJZWBFRYMG-OAHLLOKOSA-N 1 2 323.396 3.467 10 0 DGAELO O=C(/C=C/C1CCCCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000117752006 194845211 /nfs/dbraw/zinc/84/52/11/194845211.db2.gz FFEPVZOAQMFKHA-CMDGGOBGSA-N 1 2 310.401 3.020 10 0 DGAELO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000120123745 195100694 /nfs/dbraw/zinc/10/06/94/195100694.db2.gz JJIRUPUKFQYDLL-HNNXBMFYSA-N 1 2 313.405 3.109 10 0 DGAELO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000249315282 285068346 /nfs/dbraw/zinc/06/83/46/285068346.db2.gz FIJDUFNAKBYYEH-CABCVRRESA-N 1 2 301.789 3.013 10 0 DGAELO CC[C@](C)(O)C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000249315282 285068350 /nfs/dbraw/zinc/06/83/50/285068350.db2.gz FIJDUFNAKBYYEH-CABCVRRESA-N 1 2 301.789 3.013 10 0 DGAELO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000249316877 285068435 /nfs/dbraw/zinc/06/84/35/285068435.db2.gz 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315.417 3.061 10 0 DGAELO c1nc(C[NH+]2CCC(c3ccccn3)CC2)n(-c2ccccc2)n1 ZINC000367197313 293036333 /nfs/dbraw/zinc/03/63/33/293036333.db2.gz XJXSYVBRYJDPIO-UHFFFAOYSA-N 1 2 319.412 3.042 10 0 DGAELO c1ccc(C[N@@H+]2CC[C@H](Sc3n[nH]c(C4CC4)n3)C2)cc1 ZINC000283213283 433693676 /nfs/dbraw/zinc/69/36/76/433693676.db2.gz ZILSZCLCQKKIMW-AWEZNQCLSA-N 1 2 300.431 3.049 10 0 DGAELO c1ccc(C[N@H+]2CC[C@H](Sc3n[nH]c(C4CC4)n3)C2)cc1 ZINC000283213283 433693683 /nfs/dbraw/zinc/69/36/83/433693683.db2.gz ZILSZCLCQKKIMW-AWEZNQCLSA-N 1 2 300.431 3.049 10 0 DGAELO c1cc(-c2ccc(CNc3ccc(-c4cncnc4)c[nH+]3)o2)n[nH]1 ZINC000369751345 293137946 /nfs/dbraw/zinc/13/79/46/293137946.db2.gz WEKJZKYECIFMGR-UHFFFAOYSA-N 1 2 318.340 3.134 10 0 DGAELO Cc1ccccc1[C@H](C)[N@@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000371279089 293208669 /nfs/dbraw/zinc/20/86/69/293208669.db2.gz FYMNLLSLLYJTMX-HNNXBMFYSA-N 1 2 319.412 3.225 10 0 DGAELO Cc1ccccc1[C@H](C)[N@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000371279089 293208672 /nfs/dbraw/zinc/20/86/72/293208672.db2.gz FYMNLLSLLYJTMX-HNNXBMFYSA-N 1 2 319.412 3.225 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3ccccc3C1)C2 ZINC000372387636 293242254 /nfs/dbraw/zinc/24/22/54/293242254.db2.gz RWLCKSLPDHXMGJ-HNNXBMFYSA-N 1 2 323.440 3.223 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3ccccc3C1)CC2 ZINC000372387636 293242256 /nfs/dbraw/zinc/24/22/56/293242256.db2.gz RWLCKSLPDHXMGJ-HNNXBMFYSA-N 1 2 323.440 3.223 10 0 DGAELO Cc1csc(N(C)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)n1 ZINC000372395210 293243003 /nfs/dbraw/zinc/24/30/03/293243003.db2.gz WNGQUWRXBILSKR-LLVKDONJSA-N 1 2 318.446 3.066 10 0 DGAELO Cc1csc(N(C)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)n1 ZINC000372395210 293243004 /nfs/dbraw/zinc/24/30/04/293243004.db2.gz WNGQUWRXBILSKR-LLVKDONJSA-N 1 2 318.446 3.066 10 0 DGAELO Cn1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c2cc(F)ccc21 ZINC000373822495 293319733 /nfs/dbraw/zinc/31/97/33/293319733.db2.gz IZMOHJSIEAHOIE-HNNXBMFYSA-N 1 2 312.348 3.018 10 0 DGAELO CO[C@@H]1CCC[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301794339 433727151 /nfs/dbraw/zinc/72/71/51/433727151.db2.gz SMMNCIDCQJPQSR-UKRRQHHQSA-N 1 2 323.400 3.185 10 0 DGAELO COc1cccc(C2=CCN(C(=O)Nc3cc[nH+]cc3C)CC2)c1 ZINC000362488318 433730619 /nfs/dbraw/zinc/73/06/19/433730619.db2.gz QBZKSGJOFMROTI-UHFFFAOYSA-N 1 2 323.396 3.142 10 0 DGAELO CNC(=O)[C@H](Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)C(C)C ZINC000301812217 433735848 /nfs/dbraw/zinc/73/58/48/433735848.db2.gz ZULNUKWLBOBNCS-CQSZACIVSA-N 1 2 320.481 3.254 10 0 DGAELO c1nc(C[N@@H+]2CCO[C@@H](C3CC3)C2)sc1-c1ccccc1 ZINC000362527739 433739311 /nfs/dbraw/zinc/73/93/11/433739311.db2.gz FRLMYZSQXLTUEL-OAHLLOKOSA-N 1 2 300.427 3.421 10 0 DGAELO c1nc(C[N@H+]2CCO[C@@H](C3CC3)C2)sc1-c1ccccc1 ZINC000362527739 433739322 /nfs/dbraw/zinc/73/93/22/433739322.db2.gz FRLMYZSQXLTUEL-OAHLLOKOSA-N 1 2 300.427 3.421 10 0 DGAELO Brc1ccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)s1 ZINC000376738801 433809815 /nfs/dbraw/zinc/80/98/15/433809815.db2.gz GIVYGEUCLJDTKE-GXSJLCMTSA-N 1 2 302.237 3.121 10 0 DGAELO Brc1ccc(C[N@H+]2CCC[C@H]3COC[C@H]32)s1 ZINC000376738801 433809839 /nfs/dbraw/zinc/80/98/39/433809839.db2.gz GIVYGEUCLJDTKE-GXSJLCMTSA-N 1 2 302.237 3.121 10 0 DGAELO c1ccc(COc2ccc[nH+]c2N2CCO[C@@H](C3CC3)C2)cc1 ZINC000362673017 433817067 /nfs/dbraw/zinc/81/70/67/433817067.db2.gz NMUDZKLCJOUTAD-GOSISDBHSA-N 1 2 310.397 3.276 10 0 DGAELO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c[nH+]1 ZINC000456843433 433857250 /nfs/dbraw/zinc/85/72/50/433857250.db2.gz QOEAAMNCCUWSIE-GDBMZVCRSA-N 1 2 316.351 3.397 10 0 DGAELO OC[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)CC1CCCCC1 ZINC000302846823 433882950 /nfs/dbraw/zinc/88/29/50/433882950.db2.gz OGFQUXVAHSKQQW-MRXNPFEDSA-N 1 2 318.465 3.068 10 0 DGAELO OC[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)CC1CCCCC1 ZINC000302846823 433882962 /nfs/dbraw/zinc/88/29/62/433882962.db2.gz OGFQUXVAHSKQQW-MRXNPFEDSA-N 1 2 318.465 3.068 10 0 DGAELO CCc1ccc([C@@H](Nc2nc3c(cnn3C)c(N)[nH+]2)C(C)C)cc1 ZINC000302857124 433887083 /nfs/dbraw/zinc/88/70/83/433887083.db2.gz SHTGUFBLHVVMDY-HNNXBMFYSA-N 1 2 324.432 3.317 10 0 DGAELO c1ccc(C2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)nc1 ZINC000363670608 434113786 /nfs/dbraw/zinc/11/37/86/434113786.db2.gz FJPKQZAEEJWIHG-UHFFFAOYSA-N 1 2 323.444 3.265 10 0 DGAELO COc1cccc(C2=CC[N@@H+]([C@@H](C)c3csnn3)CC2)c1 ZINC000450317176 434101957 /nfs/dbraw/zinc/10/19/57/434101957.db2.gz JQJIJPFXBKVVPN-LBPRGKRZSA-N 1 2 301.415 3.397 10 0 DGAELO COc1cccc(C2=CC[N@H+]([C@@H](C)c3csnn3)CC2)c1 ZINC000450317176 434101966 /nfs/dbraw/zinc/10/19/66/434101966.db2.gz JQJIJPFXBKVVPN-LBPRGKRZSA-N 1 2 301.415 3.397 10 0 DGAELO COC(=O)[C@H]([NH2+]CC1(c2c(F)cccc2F)CCCC1)C1CC1 ZINC000513447581 294474091 /nfs/dbraw/zinc/47/40/91/294474091.db2.gz MTVSCAVPORLVHO-MRXNPFEDSA-N 1 2 323.383 3.318 10 0 DGAELO COC(=O)[C@H]([NH2+]CC1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000513457752 294474192 /nfs/dbraw/zinc/47/41/92/294474192.db2.gz LBRDLHJEKWMJNY-MRXNPFEDSA-N 1 2 305.393 3.179 10 0 DGAELO O=C(C[C@@H]1CCOc2ccccc21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329148582 434366496 /nfs/dbraw/zinc/36/64/96/434366496.db2.gz PUNPWEWLNNECLO-ZFWWWQNUSA-N 1 2 311.385 3.030 10 0 DGAELO CC1=CC[N@H+](CCNCc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000358146484 434348857 /nfs/dbraw/zinc/34/88/57/434348857.db2.gz XDRUUBJJRQGUBQ-AWEZNQCLSA-N 1 2 305.491 3.010 10 0 DGAELO CC1=CC[N@@H+](CCNCc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000358146484 434348864 /nfs/dbraw/zinc/34/88/64/434348864.db2.gz XDRUUBJJRQGUBQ-AWEZNQCLSA-N 1 2 305.491 3.010 10 0 DGAELO CC[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccsc1 ZINC000393322794 434392578 /nfs/dbraw/zinc/39/25/78/434392578.db2.gz QGVOTRIKEVWULR-LLVKDONJSA-N 1 2 314.252 3.485 10 0 DGAELO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2Br)[nH]1 ZINC000392473709 434392649 /nfs/dbraw/zinc/39/26/49/434392649.db2.gz RJTJNBPUVJGLOU-RKDXNWHRSA-N 1 2 309.211 3.287 10 0 DGAELO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(CCCCC3)O2)no1 ZINC000329839711 434492263 /nfs/dbraw/zinc/49/22/63/434492263.db2.gz 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10 0 DGAELO Cc1csc(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000452755885 434704472 /nfs/dbraw/zinc/70/44/72/434704472.db2.gz JTRYVMZZDXFIKT-GFCCVEGCSA-N 1 2 317.458 3.324 10 0 DGAELO Cc1csc(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000452755885 434704482 /nfs/dbraw/zinc/70/44/82/434704482.db2.gz JTRYVMZZDXFIKT-GFCCVEGCSA-N 1 2 317.458 3.324 10 0 DGAELO COc1ccc(OC)c(C[N@H+](C)Cc2cnc(C(C)C)nc2)c1 ZINC000440484064 434705965 /nfs/dbraw/zinc/70/59/65/434705965.db2.gz ZKXBGLRCKRWPDS-UHFFFAOYSA-N 1 2 315.417 3.249 10 0 DGAELO COc1ccc(OC)c(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c1 ZINC000440484064 434705969 /nfs/dbraw/zinc/70/59/69/434705969.db2.gz ZKXBGLRCKRWPDS-UHFFFAOYSA-N 1 2 315.417 3.249 10 0 DGAELO c1sc(Cc2ccccc2)nc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459788748 434721458 /nfs/dbraw/zinc/72/14/58/434721458.db2.gz FHUMKUCAXCEFDI-GJZGRUSLSA-N 1 2 302.468 3.424 10 0 DGAELO c1sc(Cc2ccccc2)nc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459788748 434721465 /nfs/dbraw/zinc/72/14/65/434721465.db2.gz 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Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000188476801 661932299 /nfs/dbraw/zinc/93/22/99/661932299.db2.gz PMOZKBOESFILRE-SNVBAGLBSA-N 1 2 306.753 3.197 10 0 DGAELO CC(C)N1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H](C)C1 ZINC000191313382 662059332 /nfs/dbraw/zinc/05/93/32/662059332.db2.gz STAJAYOIVSSZIA-GWCFXTLKSA-N 1 2 300.805 3.003 10 0 DGAELO CC[C@@H]1COCC[N@@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084076453 662199152 /nfs/dbraw/zinc/19/91/52/662199152.db2.gz RQOHHYXZBURSJI-CQSZACIVSA-N 1 2 308.447 3.071 10 0 DGAELO CC[C@@H]1COCC[N@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084076453 662199154 /nfs/dbraw/zinc/19/91/54/662199154.db2.gz RQOHHYXZBURSJI-CQSZACIVSA-N 1 2 308.447 3.071 10 0 DGAELO CC[N@H+](C)[C@H](C(=O)O[C@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000245880703 662243182 /nfs/dbraw/zinc/24/31/82/662243182.db2.gz NONVNKMXUKFEMM-IKGGRYGDSA-N 1 2 305.418 3.180 10 0 DGAELO CC[N@@H+](C)[C@H](C(=O)O[C@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000245880703 662243185 /nfs/dbraw/zinc/24/31/85/662243185.db2.gz 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ZINC000186459647 1202923381 /nfs/dbraw/zinc/92/33/81/1202923381.db2.gz QMGSMQNJJXQRDX-SFHVURJKSA-N 1 2 312.388 3.027 10 0 DGAELO OCc1csc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)n1 ZINC000723191750 1105597238 /nfs/dbraw/zinc/59/72/38/1105597238.db2.gz HOZSYMQPRZXKRE-UHFFFAOYSA-N 1 2 303.214 3.232 10 0 DGAELO Cc1cc(N2CCC(c3nnc[nH]3)CC2)c2cccc(F)c2[nH+]1 ZINC000129196383 432003163 /nfs/dbraw/zinc/00/31/63/432003163.db2.gz AQHGAZLRAZFINR-UHFFFAOYSA-N 1 2 311.364 3.184 10 0 DGAELO CCC(CC)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000177965536 282143635 /nfs/dbraw/zinc/14/36/35/282143635.db2.gz KLKJGLAZVUOQEU-HNNXBMFYSA-N 1 2 324.490 3.016 10 0 DGAELO CCc1cccc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000079217098 185161779 /nfs/dbraw/zinc/16/17/79/185161779.db2.gz LCBJJJCXDDNAOK-UHFFFAOYSA-N 1 2 321.384 3.151 10 0 DGAELO CCc1nnc(C[NH2+]Cc2ccc(Br)s2)s1 ZINC000309912162 231107806 /nfs/dbraw/zinc/10/78/06/231107806.db2.gz NHQXZQKJRYRYMW-UHFFFAOYSA-N 1 2 318.265 3.214 10 0 DGAELO CCc1cc(N[C@H]2CCC[C@H](OC)C2)nc(-c2ccncc2)[nH+]1 ZINC000301802940 529562051 /nfs/dbraw/zinc/56/20/51/529562051.db2.gz XDKNMIQYNNBKGD-HOTGVXAUSA-N 1 2 312.417 3.471 10 0 DGAELO CCc1ccc(CCC(=O)N(C)c2ccc[nH+]c2N(C)C)cc1 ZINC000176789929 529625805 /nfs/dbraw/zinc/62/58/05/529625805.db2.gz ICDUCWPDKUJFBO-UHFFFAOYSA-N 1 2 311.429 3.306 10 0 DGAELO COc1cccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1OC ZINC000092594194 185328067 /nfs/dbraw/zinc/32/80/67/185328067.db2.gz CLCPTEPTMNDPIH-HNNXBMFYSA-N 1 2 319.426 3.339 10 0 DGAELO COc1cccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1OC ZINC000092594194 185328068 /nfs/dbraw/zinc/32/80/68/185328068.db2.gz CLCPTEPTMNDPIH-HNNXBMFYSA-N 1 2 319.426 3.339 10 0 DGAELO c1cc(C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)[nH]n1 ZINC000092811047 185342705 /nfs/dbraw/zinc/34/27/05/185342705.db2.gz UNXOKEFMHNQRKG-UHFFFAOYSA-N 1 2 307.401 3.179 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]CCCOc2ccccc2C)no1 ZINC000441248007 529713821 /nfs/dbraw/zinc/71/38/21/529713821.db2.gz TWTOQODXZOQDGO-UHFFFAOYSA-N 1 2 303.406 3.234 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]CCCOc2ccc(F)cc2)no1 ZINC000441230854 529713871 /nfs/dbraw/zinc/71/38/71/529713871.db2.gz LXLDEFRHMZAZLO-UHFFFAOYSA-N 1 2 307.369 3.065 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]CCSCc2ccccc2)no1 ZINC000441276528 529714246 /nfs/dbraw/zinc/71/42/46/529714246.db2.gz KGARQDOQUQSRDL-UHFFFAOYSA-N 1 2 305.447 3.390 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]CCSc2ccccc2F)no1 ZINC000441225080 529714342 /nfs/dbraw/zinc/71/43/42/529714342.db2.gz CADZFPUJFXVGFP-UHFFFAOYSA-N 1 2 309.410 3.388 10 0 DGAELO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOCC(F)(F)F ZINC000066851524 432022515 /nfs/dbraw/zinc/02/25/15/432022515.db2.gz GBGTYJPXYLPSIR-GXTWGEPZSA-N 1 2 303.324 3.027 10 0 DGAELO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOCC(F)(F)F ZINC000066851524 432022516 /nfs/dbraw/zinc/02/25/16/432022516.db2.gz GBGTYJPXYLPSIR-GXTWGEPZSA-N 1 2 303.324 3.027 10 0 DGAELO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nnc(CC)n1C ZINC000179732850 186211899 /nfs/dbraw/zinc/21/18/99/186211899.db2.gz 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c1ccc(-c2nnc3n2CC[N@@H+](CC24CCC(CC2)C4)C3)cc1 ZINC000347750900 264278311 /nfs/dbraw/zinc/27/83/11/264278311.db2.gz PMLVCPKGEGTTHM-UHFFFAOYSA-N 1 2 308.429 3.341 10 0 DGAELO c1ccc(-c2nnc3n2CC[N@H+](CC24CCC(CC2)C4)C3)cc1 ZINC000347750900 264278312 /nfs/dbraw/zinc/27/83/12/264278312.db2.gz PMLVCPKGEGTTHM-UHFFFAOYSA-N 1 2 308.429 3.341 10 0 DGAELO COCc1nc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000182789373 432229434 /nfs/dbraw/zinc/22/94/34/432229434.db2.gz KWCSVKLQDBSVSM-GFCCVEGCSA-N 1 2 303.406 3.364 10 0 DGAELO CCc1nnc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)n1C ZINC000247473755 432233891 /nfs/dbraw/zinc/23/38/91/432233891.db2.gz JLLKKIJVFADNEZ-JSGCOSHPSA-N 1 2 302.422 3.252 10 0 DGAELO CCc1nnc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)n1C ZINC000247473755 432233895 /nfs/dbraw/zinc/23/38/95/432233895.db2.gz JLLKKIJVFADNEZ-JSGCOSHPSA-N 1 2 302.422 3.252 10 0 DGAELO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000367626233 271055292 /nfs/dbraw/zinc/05/52/92/271055292.db2.gz 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317.392 3.244 10 0 DGAELO C[C@H](NC(=O)NCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174473801 432350825 /nfs/dbraw/zinc/35/08/25/432350825.db2.gz BGZICGDDINWQSC-HNNXBMFYSA-N 1 2 320.396 3.433 10 0 DGAELO COCCC(C)(C)CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000184053183 432351034 /nfs/dbraw/zinc/35/10/34/432351034.db2.gz QOBZRYCYWQVWCS-UHFFFAOYSA-N 1 2 300.406 3.322 10 0 DGAELO C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173934424 432308568 /nfs/dbraw/zinc/30/85/68/432308568.db2.gz AVRSJWLVQVYEAG-NSHDSACASA-N 1 2 314.776 3.345 10 0 DGAELO Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1C ZINC000173924062 432308853 /nfs/dbraw/zinc/30/88/53/432308853.db2.gz SGHHKTAMHYAWQL-CQSZACIVSA-N 1 2 308.385 3.010 10 0 DGAELO Cc1cncc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173953470 432310286 /nfs/dbraw/zinc/31/02/86/432310286.db2.gz VASZOJGHGZXKSK-AWEZNQCLSA-N 1 2 306.369 3.067 10 0 DGAELO CCn1cc([C@H]2C[N@@H+]([C@H](C)c3ccccc3F)CCO2)cn1 ZINC000248703143 432313358 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O=C(Nc1cccc(-c2cccs2)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263229809 432528576 /nfs/dbraw/zinc/52/85/76/432528576.db2.gz NGBBHNVJBFNMFC-GFCCVEGCSA-N 1 2 308.353 3.351 10 0 DGAELO Cc1ccc(C)c(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000185758670 432530992 /nfs/dbraw/zinc/53/09/92/432530992.db2.gz VHGOTGPMGRWNMF-UHFFFAOYSA-N 1 2 322.412 3.290 10 0 DGAELO Cc1ccc(C)c(C[NH2+]Cc2nnc(COc3ccccc3)[nH]2)c1 ZINC000185758670 432530996 /nfs/dbraw/zinc/53/09/96/432530996.db2.gz VHGOTGPMGRWNMF-UHFFFAOYSA-N 1 2 322.412 3.290 10 0 DGAELO CCC(C)(C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176591427 432534592 /nfs/dbraw/zinc/53/45/92/432534592.db2.gz JLNADCPBIKFENX-ZIAGYGMSSA-N 1 2 324.490 3.062 10 0 DGAELO CCC(C)(C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176591427 432534594 /nfs/dbraw/zinc/53/45/94/432534594.db2.gz JLNADCPBIKFENX-ZIAGYGMSSA-N 1 2 324.490 3.062 10 0 DGAELO Cc1cccc2[nH+]c(CNC(=O)Nc3ccc4cc[nH]c4c3)cn21 ZINC000194235938 432535259 /nfs/dbraw/zinc/53/52/59/432535259.db2.gz 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IZHAYFZYDHEVKT-HUUCEWRRSA-N 1 2 318.465 3.287 10 0 DGAELO Clc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)o1 ZINC000341276217 433014548 /nfs/dbraw/zinc/01/45/48/433014548.db2.gz SJAAUMCKITYUBF-UHFFFAOYSA-N 1 2 301.777 3.468 10 0 DGAELO c1cn(Cc2ccccc2)c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)[nH+]1 ZINC000354720559 433235588 /nfs/dbraw/zinc/23/55/88/433235588.db2.gz OPIWWIDQRCLDPW-VQTJNVASSA-N 1 2 323.440 3.075 10 0 DGAELO c1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)n(-c2ccccc2)n1 ZINC000354727561 433236847 /nfs/dbraw/zinc/23/68/47/433236847.db2.gz GENJQHWFTDAPAT-IBGZPJMESA-N 1 2 311.429 3.263 10 0 DGAELO c1cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)n(-c2ccccc2)n1 ZINC000354727561 433236856 /nfs/dbraw/zinc/23/68/56/433236856.db2.gz GENJQHWFTDAPAT-IBGZPJMESA-N 1 2 311.429 3.263 10 0 DGAELO Brc1ccc2c(cc[nH+]c2N[C@H]2CCCOC2)c1 ZINC000413130615 433258524 /nfs/dbraw/zinc/25/85/24/433258524.db2.gz RNWPDBCUOPIUQY-LBPRGKRZSA-N 1 2 307.191 3.588 10 0 DGAELO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N[C@H]1CCCC[C@H]1C)C2 ZINC000361593844 433272002 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312.413 3.266 10 0 DGAELO c1onc(Cc2ccccc2)c1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000414467415 433634171 /nfs/dbraw/zinc/63/41/71/433634171.db2.gz BABYTYHPNSTRQW-IBGZPJMESA-N 1 2 312.413 3.266 10 0 DGAELO c1onc(Cc2ccccc2)c1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000414467415 433634179 /nfs/dbraw/zinc/63/41/79/433634179.db2.gz BABYTYHPNSTRQW-IBGZPJMESA-N 1 2 312.413 3.266 10 0 DGAELO CC(C)CN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C1CC1 ZINC000376072944 433659634 /nfs/dbraw/zinc/65/96/34/433659634.db2.gz ZTZTVUJNLYFSJH-ZDUSSCGKSA-N 1 2 303.450 3.285 10 0 DGAELO CC(C)CN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C1CC1 ZINC000376072944 433659642 /nfs/dbraw/zinc/65/96/42/433659642.db2.gz ZTZTVUJNLYFSJH-ZDUSSCGKSA-N 1 2 303.450 3.285 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367448193 293073811 /nfs/dbraw/zinc/07/38/11/293073811.db2.gz LOGJQSBKWGVVMS-KRWDZBQOSA-N 1 2 305.422 3.120 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367448193 293073815 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ZINC000154306839 546016066 /nfs/dbraw/zinc/01/60/66/546016066.db2.gz BBOLCASYPJYJAR-CQSZACIVSA-N 1 2 317.433 3.308 10 0 DGAELO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1c(Cl)ccc(F)c1Cl ZINC000179540447 546137066 /nfs/dbraw/zinc/13/70/66/546137066.db2.gz INWGATKFOUSKMP-MRVPVSSYSA-N 1 2 319.207 3.404 10 0 DGAELO COc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2C)cc1OC(F)F ZINC000180048489 546141544 /nfs/dbraw/zinc/14/15/44/546141544.db2.gz UJGJESUJCAXNOZ-VIFPVBQESA-N 1 2 311.332 3.179 10 0 DGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000181252939 546155070 /nfs/dbraw/zinc/15/50/70/546155070.db2.gz OLVZZKGSKYVFAU-ZIAGYGMSSA-N 1 2 318.421 3.387 10 0 DGAELO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000181368494 546157061 /nfs/dbraw/zinc/15/70/61/546157061.db2.gz PZWOKZYLJIOTOO-NWDGAFQWSA-N 1 2 307.369 3.465 10 0 DGAELO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000181368476 546157218 /nfs/dbraw/zinc/15/72/18/546157218.db2.gz PZWOKZYLJIOTOO-RYUDHWBXSA-N 1 2 307.369 3.465 10 0 DGAELO Cc1ccc(-n2cccn2)cc1NCc1c[nH+]c2ccccn12 ZINC000188938502 546208602 /nfs/dbraw/zinc/20/86/02/546208602.db2.gz ONILZSCZLUDPNV-UHFFFAOYSA-N 1 2 303.369 3.441 10 0 DGAELO CCCCc1noc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)n1 ZINC000190970333 546221093 /nfs/dbraw/zinc/22/10/93/546221093.db2.gz LIMACLQLYNWJGQ-UHFFFAOYSA-N 1 2 307.438 3.336 10 0 DGAELO CCCCc1noc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)n1 ZINC000190970333 546221099 /nfs/dbraw/zinc/22/10/99/546221099.db2.gz LIMACLQLYNWJGQ-UHFFFAOYSA-N 1 2 307.438 3.336 10 0 DGAELO CCc1onc(C)c1C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000192931022 546238641 /nfs/dbraw/zinc/23/86/41/546238641.db2.gz SPICKGIDZICBNX-UHFFFAOYSA-N 1 2 315.417 3.192 10 0 DGAELO CCc1onc(C)c1C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000192931022 546238646 /nfs/dbraw/zinc/23/86/46/546238646.db2.gz SPICKGIDZICBNX-UHFFFAOYSA-N 1 2 315.417 3.192 10 0 DGAELO CC[N@@H+]1CCO[C@@H](CN[C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000225807520 546267890 /nfs/dbraw/zinc/26/78/90/546267890.db2.gz NJLHUJZQXVJABL-UWVGGRQHSA-N 1 2 323.289 3.426 10 0 DGAELO CC[N@H+]1CCO[C@@H](CN[C@@H](C)c2cc(Cl)sc2Cl)C1 ZINC000225807520 546267894 /nfs/dbraw/zinc/26/78/94/546267894.db2.gz NJLHUJZQXVJABL-UWVGGRQHSA-N 1 2 323.289 3.426 10 0 DGAELO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000232398948 546276552 /nfs/dbraw/zinc/27/65/52/546276552.db2.gz XLWPUTFCYVLQCZ-IONNQARKSA-N 1 2 303.189 3.013 10 0 DGAELO Cc1sc2nc(C)nc(N[C@H](C)Cn3cc[nH+]c3)c2c1C ZINC000314017374 546454690 /nfs/dbraw/zinc/45/46/90/546454690.db2.gz HJXPKJYASSVUEB-SECBINFHSA-N 1 2 301.419 3.314 10 0 DGAELO Cc1ccc(C)c(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329722393 546490348 /nfs/dbraw/zinc/49/03/48/546490348.db2.gz NJAIRWTWVICSFQ-HOCLYGCPSA-N 1 2 313.401 3.279 10 0 DGAELO Cc1ccc(C)c(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329722393 546490352 /nfs/dbraw/zinc/49/03/52/546490352.db2.gz NJAIRWTWVICSFQ-HOCLYGCPSA-N 1 2 313.401 3.279 10 0 DGAELO c1c(Cc2nc([C@@H]3CCCCS3)no2)[nH+]c2n1CCCC2 ZINC000351427562 546637739 /nfs/dbraw/zinc/63/77/39/546637739.db2.gz LJUKKLVVLVUDNF-LBPRGKRZSA-N 1 2 304.419 3.151 10 0 DGAELO CN(CCc1ccccc1F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738951577 574887330 /nfs/dbraw/zinc/88/73/30/574887330.db2.gz YASYYVIUIVQINI-UHFFFAOYSA-N 1 2 312.348 3.180 10 0 DGAELO c1sc(C[NH2+]Cc2cn3ccccc3n2)nc1-c1ccncc1 ZINC000742370728 574993031 /nfs/dbraw/zinc/99/30/31/574993031.db2.gz KVRVCUUDKYBSAK-UHFFFAOYSA-N 1 2 321.409 3.143 10 0 DGAELO Cc1ccc2c(CC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c[nH]c2c1 ZINC000726164767 576011054 /nfs/dbraw/zinc/01/10/54/576011054.db2.gz SYHDALBDARZTOH-UHFFFAOYSA-N 1 2 322.412 3.148 10 0 DGAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(Cc2cc(F)ccc2F)C1 ZINC000888102883 618626285 /nfs/dbraw/zinc/62/62/85/618626285.db2.gz SIGAWSQKZOWWTL-ZBFHGGJFSA-N 1 2 321.371 3.267 10 0 DGAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(c2ncccc2Cl)C1 ZINC000888102615 618626329 /nfs/dbraw/zinc/62/63/29/618626329.db2.gz BZSPCRFEYXYMFL-YPMHNXCESA-N 1 2 306.797 3.041 10 0 DGAELO Cc1ccc2c(C[N@H+]3[C@H](C)COC[C@@H]3C)cc(=O)oc2c1C ZINC000120870881 622034432 /nfs/dbraw/zinc/03/44/32/622034432.db2.gz WNVWPEYYVYXEIY-BETUJISGSA-N 1 2 301.386 3.019 10 0 DGAELO Cc1ccc2c(C[N@@H+]3[C@H](C)COC[C@@H]3C)cc(=O)oc2c1C ZINC000120870881 622034435 /nfs/dbraw/zinc/03/44/35/622034435.db2.gz WNVWPEYYVYXEIY-BETUJISGSA-N 1 2 301.386 3.019 10 0 DGAELO Cc1cc(C)n2c(C[N@@H+](C)Cc3ccc(Cl)nc3)cnc2n1 ZINC000125737077 623538432 /nfs/dbraw/zinc/53/84/32/623538432.db2.gz ADXXGPWKUHNWLO-UHFFFAOYSA-N 1 2 315.808 3.027 10 0 DGAELO Cc1cc(C)n2c(C[N@H+](C)Cc3ccc(Cl)nc3)cnc2n1 ZINC000125737077 623538434 /nfs/dbraw/zinc/53/84/34/623538434.db2.gz ADXXGPWKUHNWLO-UHFFFAOYSA-N 1 2 315.808 3.027 10 0 DGAELO C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1nc(C(C)(C)C)no1 ZINC000185157938 660204599 /nfs/dbraw/zinc/20/45/99/660204599.db2.gz GVEDQWXHZOXKFI-GWCFXTLKSA-N 1 2 323.824 3.405 10 0 DGAELO Cc1cccc(CCCOCCOC(=O)[C@H]2C[C@@H]2C(C)C)[nH+]1 ZINC000187585024 655810962 /nfs/dbraw/zinc/81/09/62/655810962.db2.gz ZQGUYTLTHYUFDD-SJORKVTESA-N 1 2 305.418 3.175 10 0 DGAELO CCc1ncc(C[NH2+]Cc2ncc(Br)s2)s1 ZINC000714923269 661204872 /nfs/dbraw/zinc/20/48/72/661204872.db2.gz WQZIIHWDJNANIG-UHFFFAOYSA-N 1 2 318.265 3.214 10 0 DGAELO C/C(=C\C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000177772644 655946118 /nfs/dbraw/zinc/94/61/18/655946118.db2.gz JPTWOIVJPIKVFU-GWKQRERASA-N 1 2 313.376 3.117 10 0 DGAELO O=C(/C=C/c1ccccc1Cl)NCc1ccn2cc[nH+]c2c1 ZINC000178368981 656122394 /nfs/dbraw/zinc/12/23/94/656122394.db2.gz OSHTZJZIIPKDJY-AATRIKPKSA-N 1 2 311.772 3.317 10 0 DGAELO O=C1N[C@H](c2ccc(-n3cc[nH+]c3)cc2)Nc2cc(Cl)ccc21 ZINC000027216745 656268579 /nfs/dbraw/zinc/26/85/79/656268579.db2.gz KMMGVTZGCAVHPJ-MRXNPFEDSA-N 1 2 324.771 3.380 10 0 DGAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000249873217 657435701 /nfs/dbraw/zinc/43/57/01/657435701.db2.gz GMLJTVRFCOOCOQ-WHOFXGATSA-N 1 2 322.453 3.157 10 0 DGAELO CCCCCC[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173102023 659373097 /nfs/dbraw/zinc/37/30/97/659373097.db2.gz KIXKJHUWAXOUTD-ZWKOTPCHSA-N 1 2 324.509 3.306 10 0 DGAELO CC[C@@H]1CCC[N@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000173305801 659379462 /nfs/dbraw/zinc/37/94/62/659379462.db2.gz BRLDHQZABDVLGN-CYBMUJFWSA-N 1 2 305.447 3.154 10 0 DGAELO CC[C@@H]1CCC[N@@H+](Cn2sc3nc(C)cc(C)c3c2=O)C1 ZINC000173305801 659379466 /nfs/dbraw/zinc/37/94/66/659379466.db2.gz BRLDHQZABDVLGN-CYBMUJFWSA-N 1 2 305.447 3.154 10 0 DGAELO O=C(OCC(F)(F)C(F)F)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000175435431 659921149 /nfs/dbraw/zinc/92/11/49/659921149.db2.gz LEVQEFCYVZFFPI-LBPRGKRZSA-N 1 2 319.298 3.095 10 0 DGAELO O=C(OCC(F)(F)C(F)F)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000175435431 659921150 /nfs/dbraw/zinc/92/11/50/659921150.db2.gz LEVQEFCYVZFFPI-LBPRGKRZSA-N 1 2 319.298 3.095 10 0 DGAELO CC[N@H+](C)[C@H](C(=O)O[C@@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000180108807 659952334 /nfs/dbraw/zinc/95/23/34/659952334.db2.gz NONVNKMXUKFEMM-BBWFWOEESA-N 1 2 305.418 3.180 10 0 DGAELO CC[N@@H+](C)[C@H](C(=O)O[C@@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000180108807 659952336 /nfs/dbraw/zinc/95/23/36/659952336.db2.gz NONVNKMXUKFEMM-BBWFWOEESA-N 1 2 305.418 3.180 10 0 DGAELO Cc1cccc(CCCOCCOC(=O)[C@@H]2CC=CCC2)[nH+]1 ZINC000069188941 659979693 /nfs/dbraw/zinc/97/96/93/659979693.db2.gz JJYKKKQKDKQLNV-MRXNPFEDSA-N 1 2 303.402 3.239 10 0 DGAELO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1cc(Cl)ccc1F ZINC000040433665 661831851 /nfs/dbraw/zinc/83/18/51/661831851.db2.gz YXSCBAQNDDVOHX-KGLIPLIRSA-N 1 2 307.756 3.199 10 0 DGAELO CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000159998181 661899212 /nfs/dbraw/zinc/89/92/12/661899212.db2.gz SWONCDRTLPPHFP-KBPBESRZSA-N 1 2 310.463 3.363 10 0 DGAELO CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000159998181 661899213 /nfs/dbraw/zinc/89/92/13/661899213.db2.gz SWONCDRTLPPHFP-KBPBESRZSA-N 1 2 310.463 3.363 10 0 DGAELO Cc1cc(NC/C=C/CNC(=O)OC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000188546810 661934219 /nfs/dbraw/zinc/93/42/19/661934219.db2.gz SJDADKSICZOLFX-AATRIKPKSA-N 1 2 318.421 3.155 10 0 DGAELO CCc1nc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cs1 ZINC000190984850 662050904 /nfs/dbraw/zinc/05/09/04/662050904.db2.gz DBTUQMWBGYSRFM-UHFFFAOYSA-N 1 2 300.786 3.493 10 0 DGAELO O[C@H](C[NH2+][C@H]1CCCC1(F)F)c1cccc(Br)c1 ZINC000398029832 685234055 /nfs/dbraw/zinc/23/40/55/685234055.db2.gz KVRYALCGJHJYHW-NEPJUHHUSA-N 1 2 320.177 3.260 10 0 DGAELO Cc1cc(C)c(CNC(=O)c2nc(Cl)ccc2Cl)c[nH+]1 ZINC000397102397 1176989594 /nfs/dbraw/zinc/98/95/94/1176989594.db2.gz PWHFRMUNIGHBKC-UHFFFAOYSA-N 1 2 310.184 3.330 10 0 DGAELO Cn1ccnc1[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccccc1Cl ZINC000180653275 1204333234 /nfs/dbraw/zinc/33/32/34/1204333234.db2.gz ZTHRKEAEDHCKHO-NVXWUHKLSA-N 1 2 319.836 3.322 10 0 DGAELO CC(C)[C@](C)(O)C[NH2+][C@@H](c1nccn1C)c1ccccc1Cl ZINC000180644322 1204333570 /nfs/dbraw/zinc/33/35/70/1204333570.db2.gz XKJLSGBPUDVPEE-NVXWUHKLSA-N 1 2 321.852 3.160 10 0 DGAELO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(C(F)(F)F)CCCC1 ZINC000415755710 529593658 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CN(C)c1nc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)ns1 ZINC000178830619 529802550 /nfs/dbraw/zinc/80/25/50/529802550.db2.gz ZFIKJSDJTFQHJJ-UHFFFAOYSA-N 1 2 320.437 3.302 10 0 DGAELO CN(C)c1[nH+]cccc1N(C)C(=O)CCc1cc(F)ccc1F ZINC000176784608 529814626 /nfs/dbraw/zinc/81/46/26/529814626.db2.gz MXPBPUYXIHFREX-UHFFFAOYSA-N 1 2 319.355 3.021 10 0 DGAELO CN(CC[N@H+](C)Cc1nc(C2CCCC2)no1)c1ccccc1 ZINC000153210303 529904454 /nfs/dbraw/zinc/90/44/54/529904454.db2.gz QLNVCJCPGPVQFY-UHFFFAOYSA-N 1 2 314.433 3.295 10 0 DGAELO CN(CC[N@@H+](C)Cc1nc(C2CCCC2)no1)c1ccccc1 ZINC000153210303 529904455 /nfs/dbraw/zinc/90/44/55/529904455.db2.gz QLNVCJCPGPVQFY-UHFFFAOYSA-N 1 2 314.433 3.295 10 0 DGAELO CCC1(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CCCC1 ZINC000120252493 282326243 /nfs/dbraw/zinc/32/62/43/282326243.db2.gz XFSQPWVPWMEVOK-UHFFFAOYSA-N 1 2 303.450 3.399 10 0 DGAELO Cc1c[nH+]ccc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000107294013 185475189 /nfs/dbraw/zinc/47/51/89/185475189.db2.gz WUXDYMSEFCREIX-NHYWBVRUSA-N 1 2 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C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cn2ccccc2n1 ZINC000067228283 432028606 /nfs/dbraw/zinc/02/86/06/432028606.db2.gz AUSFNONQSJMUFR-YJBOKZPZSA-N 1 2 307.397 3.296 10 0 DGAELO C[C@H](CNC(=O)C[C@@H]1CCCc2ccccc21)Cn1cc[nH+]c1 ZINC000172996911 198175227 /nfs/dbraw/zinc/17/52/27/198175227.db2.gz FUUDBEPVAJIJMZ-WBVHZDCISA-N 1 2 311.429 3.146 10 0 DGAELO CCCCCC[C@@H](C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000173019590 198178058 /nfs/dbraw/zinc/17/80/58/198178058.db2.gz VOMQSHCKFDBWIQ-OAHLLOKOSA-N 1 2 314.433 3.490 10 0 DGAELO C[N@H+](CCOc1ccccc1F)Cc1nc(C2CCCC2)no1 ZINC000131023708 432032437 /nfs/dbraw/zinc/03/24/37/432032437.db2.gz TZJQCAPQXYBWKW-UHFFFAOYSA-N 1 2 319.380 3.377 10 0 DGAELO C[N@@H+](CCOc1ccccc1F)Cc1nc(C2CCCC2)no1 ZINC000131023708 432032439 /nfs/dbraw/zinc/03/24/39/432032439.db2.gz TZJQCAPQXYBWKW-UHFFFAOYSA-N 1 2 319.380 3.377 10 0 DGAELO CSc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000176338271 198575850 /nfs/dbraw/zinc/57/58/50/198575850.db2.gz GRAYPHZAOVMLDJ-CQSZACIVSA-N 1 2 316.430 3.302 10 0 DGAELO C[C@@H](C1CC1)[N@H+](Cc1nsc(N(C)C)n1)Cc1ccccc1 ZINC000163725252 432041962 /nfs/dbraw/zinc/04/19/62/432041962.db2.gz CPMPJJVKKKEYLJ-ZDUSSCGKSA-N 1 2 316.474 3.405 10 0 DGAELO C[C@@H](C1CC1)[N@@H+](Cc1nsc(N(C)C)n1)Cc1ccccc1 ZINC000163725252 432041966 /nfs/dbraw/zinc/04/19/66/432041966.db2.gz CPMPJJVKKKEYLJ-ZDUSSCGKSA-N 1 2 316.474 3.405 10 0 DGAELO COC(=O)C[N@H+](Cc1cnc(CC(C)C)s1)C1CCCC1 ZINC000093707558 291082351 /nfs/dbraw/zinc/08/23/51/291082351.db2.gz UPVYLVPJLYWELJ-UHFFFAOYSA-N 1 2 310.463 3.259 10 0 DGAELO COC(=O)C[N@@H+](Cc1cnc(CC(C)C)s1)C1CCCC1 ZINC000093707558 291082352 /nfs/dbraw/zinc/08/23/52/291082352.db2.gz UPVYLVPJLYWELJ-UHFFFAOYSA-N 1 2 310.463 3.259 10 0 DGAELO CC[C@@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1nccs1 ZINC000080280232 192020183 /nfs/dbraw/zinc/02/01/83/192020183.db2.gz YWEKCRMFPUNRDW-LLVKDONJSA-N 1 2 311.357 3.101 10 0 DGAELO CCCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000179427826 432058219 /nfs/dbraw/zinc/05/82/19/432058219.db2.gz USLUZTBEDDJYDF-QGZVFWFLSA-N 1 2 303.381 3.006 10 0 DGAELO CCCn1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000179427826 432058222 /nfs/dbraw/zinc/05/82/22/432058222.db2.gz USLUZTBEDDJYDF-QGZVFWFLSA-N 1 2 303.381 3.006 10 0 DGAELO CC(C)OCc1cccc(NC(=O)[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000081591801 192299089 /nfs/dbraw/zinc/29/90/89/192299089.db2.gz YESBRNAQGWEKEO-MRXNPFEDSA-N 1 2 313.401 3.324 10 0 DGAELO O=C(N[C@H]1CCCc2cc(F)ccc21)[C@H]1CCCn2cc[nH+]c21 ZINC000179455121 432059603 /nfs/dbraw/zinc/05/96/03/432059603.db2.gz KAICRRCQVASIOO-HOTGVXAUSA-N 1 2 313.376 3.093 10 0 DGAELO COc1cc(C[NH2+]Cc2cocn2)ccc1OCCC(C)C ZINC000237129992 202160546 /nfs/dbraw/zinc/16/05/46/202160546.db2.gz SENNHSHYDFBBKM-UHFFFAOYSA-N 1 2 304.390 3.398 10 0 DGAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccccc1OC ZINC000167787813 432066665 /nfs/dbraw/zinc/06/66/65/432066665.db2.gz QZWXDBGNISTVEZ-JSGCOSHPSA-N 1 2 300.406 3.035 10 0 DGAELO COCc1cccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000179231492 199002207 /nfs/dbraw/zinc/00/22/07/199002207.db2.gz LURCWCFQMSQOMD-QGZVFWFLSA-N 1 2 303.427 3.468 10 0 DGAELO COCc1cccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000179231492 199002209 /nfs/dbraw/zinc/00/22/09/199002209.db2.gz LURCWCFQMSQOMD-QGZVFWFLSA-N 1 2 303.427 3.468 10 0 DGAELO Cc1nc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)oc1C ZINC000179777360 199078825 /nfs/dbraw/zinc/07/88/25/199078825.db2.gz AMJLXKYDOSESDY-GFCCVEGCSA-N 1 2 313.401 3.491 10 0 DGAELO O=C(c1cc2ccccc2cc1O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000179746520 199074900 /nfs/dbraw/zinc/07/49/00/199074900.db2.gz GLPDPCKGTXDVQQ-MRXNPFEDSA-N 1 2 321.380 3.047 10 0 DGAELO CC[C@@H]([NH2+]Cc1nnc(C(C)C)n1C)c1cc(F)ccc1F ZINC000179798978 199081750 /nfs/dbraw/zinc/08/17/50/199081750.db2.gz RXLPPPXNAVLRPR-CQSZACIVSA-N 1 2 308.376 3.458 10 0 DGAELO COc1ccc([C@@H](C)NC(=O)Nc2cc[nH+]cc2C)cc1OC ZINC000179868376 199089836 /nfs/dbraw/zinc/08/98/36/199089836.db2.gz DAXREPDIPZVHRR-GFCCVEGCSA-N 1 2 315.373 3.290 10 0 DGAELO COCc1noc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000180263705 199138660 /nfs/dbraw/zinc/13/86/60/199138660.db2.gz UJKNYUJNLRAKQJ-CYBMUJFWSA-N 1 2 319.405 3.102 10 0 DGAELO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000180724038 199201461 /nfs/dbraw/zinc/20/14/61/199201461.db2.gz YGZYIQZOPATZKU-DTWKUNHWSA-N 1 2 313.760 3.420 10 0 DGAELO COc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)o2)cc1OC ZINC000180881224 199223231 /nfs/dbraw/zinc/22/32/31/199223231.db2.gz MOTFEULOKYPGTL-NSHDSACASA-N 1 2 305.378 3.061 10 0 DGAELO Cc1[nH]nc2cc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)ccc12 ZINC000180334425 432084214 /nfs/dbraw/zinc/08/42/14/432084214.db2.gz USWHHFBWIQXPNK-QGZVFWFLSA-N 1 2 308.385 3.113 10 0 DGAELO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1c(Cl)ccc(F)c1Cl ZINC000134844441 432086653 /nfs/dbraw/zinc/08/66/53/432086653.db2.gz RVGMMGBGANEOTE-SFYZADRCSA-N 1 2 319.207 3.450 10 0 DGAELO CC[C@H](C)CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000188839383 200310523 /nfs/dbraw/zinc/31/05/23/200310523.db2.gz VSYZPHJIXXMFML-GJZGRUSLSA-N 1 2 324.490 3.016 10 0 DGAELO CC[C@@H](C)CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000188839405 200311013 /nfs/dbraw/zinc/31/10/13/200311013.db2.gz VSYZPHJIXXMFML-HUUCEWRRSA-N 1 2 324.490 3.016 10 0 DGAELO Cc1sc2nc([C@H](C)[N@@H+]3CCS[C@@H](C)C3)nc(N)c2c1C ZINC000246073058 432090542 /nfs/dbraw/zinc/09/05/42/432090542.db2.gz CCIDCYLLXPVUNY-WPRPVWTQSA-N 1 2 322.503 3.389 10 0 DGAELO Cc1sc2nc([C@H](C)[N@H+]3CCS[C@@H](C)C3)nc(N)c2c1C ZINC000246073058 432090546 /nfs/dbraw/zinc/09/05/46/432090546.db2.gz CCIDCYLLXPVUNY-WPRPVWTQSA-N 1 2 322.503 3.389 10 0 DGAELO Cc1cc(F)cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000180594647 432091584 /nfs/dbraw/zinc/09/15/84/432091584.db2.gz PLZREOMITPVIQE-OAHLLOKOSA-N 1 2 302.353 3.027 10 0 DGAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nc4ccccc4s3)[C@H]2C1 ZINC000246084702 432092207 /nfs/dbraw/zinc/09/22/07/432092207.db2.gz CEGQBILLNBSDKI-VHDGCEQUSA-N 1 2 318.442 3.065 10 0 DGAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nc4ccccc4s3)[C@H]2C1 ZINC000246084702 432092209 /nfs/dbraw/zinc/09/22/09/432092209.db2.gz CEGQBILLNBSDKI-VHDGCEQUSA-N 1 2 318.442 3.065 10 0 DGAELO c1cc(-c2ccc(C[NH2+]Cc3nc(-c4ccccc4)no3)o2)n[nH]1 ZINC000434986632 238260889 /nfs/dbraw/zinc/26/08/89/238260889.db2.gz IEYHXHGBRFGPHJ-UHFFFAOYSA-N 1 2 321.340 3.010 10 0 DGAELO CCCC[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(OC)cc1 ZINC000192782196 200940346 /nfs/dbraw/zinc/94/03/46/200940346.db2.gz JTYWIBYYCRSXIO-OAHLLOKOSA-N 1 2 318.421 3.165 10 0 DGAELO C=Cn1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000193993922 201159620 /nfs/dbraw/zinc/15/96/20/201159620.db2.gz FIECLVVNJCXHAB-CXAGYDPISA-N 1 2 301.365 3.085 10 0 DGAELO C=Cn1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000193993922 201159622 /nfs/dbraw/zinc/15/96/22/201159622.db2.gz FIECLVVNJCXHAB-CXAGYDPISA-N 1 2 301.365 3.085 10 0 DGAELO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000194310506 201200296 /nfs/dbraw/zinc/20/02/96/201200296.db2.gz IBGWNCVMUFAGND-PKOBYXMFSA-N 1 2 317.429 3.431 10 0 DGAELO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000194310506 201200299 /nfs/dbraw/zinc/20/02/99/201200299.db2.gz IBGWNCVMUFAGND-PKOBYXMFSA-N 1 2 317.429 3.431 10 0 DGAELO CC(C)Cc1ccc([C@@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000195016604 201326258 /nfs/dbraw/zinc/32/62/58/201326258.db2.gz RGEYRYDYYKLRHE-OAHLLOKOSA-N 1 2 313.445 3.429 10 0 DGAELO CC(C)=CC[N@H+]1Cc2cc(Cl)cc3[nH]c(=O)n(c32)C[C@@H]1C ZINC000006495315 181345610 /nfs/dbraw/zinc/34/56/10/181345610.db2.gz FRCNLKVXRALXMC-NSHDSACASA-N 1 2 305.809 3.153 10 0 DGAELO CC(C)=CC[N@@H+]1Cc2cc(Cl)cc3[nH]c(=O)n(c32)C[C@@H]1C ZINC000006495315 181345611 /nfs/dbraw/zinc/34/56/11/181345611.db2.gz FRCNLKVXRALXMC-NSHDSACASA-N 1 2 305.809 3.153 10 0 DGAELO CC(C)=CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246250826 432112173 /nfs/dbraw/zinc/11/21/73/432112173.db2.gz GSKBENYCEOPMNE-ZBFHGGJFSA-N 1 2 310.800 3.307 10 0 DGAELO CC(C)=CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246250826 432112176 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CCc1c2sc(N)[nH+]c2c(Cc2cccnc2)c(OC)c1O ZINC000026829078 431680148 /nfs/dbraw/zinc/68/01/48/431680148.db2.gz JSVDZVXDIFZNCE-UHFFFAOYSA-N 1 2 315.398 3.141 10 0 DGAELO C[C@H](CC(=O)N(C)c1ccc[nH+]c1N(C)C)c1cccc(F)c1 ZINC000079722703 431741869 /nfs/dbraw/zinc/74/18/69/431741869.db2.gz DOOFXBIGAUEQJB-CYBMUJFWSA-N 1 2 315.392 3.443 10 0 DGAELO C[C@@H](Cc1ccccc1F)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079723479 431742900 /nfs/dbraw/zinc/74/29/00/431742900.db2.gz MEMDKXDRMCFPCH-ZDUSSCGKSA-N 1 2 315.392 3.128 10 0 DGAELO C[C@H](C[NH+]1CCOCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000029409825 431721545 /nfs/dbraw/zinc/72/15/45/431721545.db2.gz IGLLJOWMVVYQEN-MRXNPFEDSA-N 1 2 309.409 3.353 10 0 DGAELO COc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000081581798 431795786 /nfs/dbraw/zinc/79/57/86/431795786.db2.gz LQQJPHVBPADJCA-LIRRHRJNSA-N 1 2 310.397 3.327 10 0 DGAELO COc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000081581798 431795792 /nfs/dbraw/zinc/79/57/92/431795792.db2.gz 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Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000125243237 431918069 /nfs/dbraw/zinc/91/80/69/431918069.db2.gz ZKNBBXXZPQJCGS-KGLIPLIRSA-N 1 2 317.458 3.329 10 0 DGAELO CS[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000125238879 431918358 /nfs/dbraw/zinc/91/83/58/431918358.db2.gz CSSGMAZRYFAWJN-STQMWFEESA-N 1 2 303.431 3.191 10 0 DGAELO CN(C)c1[nH+]cccc1CNC(=O)N(C)C1CCCCCC1 ZINC000046287150 431896861 /nfs/dbraw/zinc/89/68/61/431896861.db2.gz QKNOJOPDZYAYIF-UHFFFAOYSA-N 1 2 304.438 3.012 10 0 DGAELO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2nc(CCOC)no2)o1 ZINC000124871469 431906294 /nfs/dbraw/zinc/90/62/94/431906294.db2.gz ACLTWCDYJSVOKL-CQSZACIVSA-N 1 2 319.405 3.141 10 0 DGAELO CCc1ccc([C@H]2CCCC[N@H+]2Cc2nc(CCOC)no2)o1 ZINC000124871469 431906295 /nfs/dbraw/zinc/90/62/95/431906295.db2.gz ACLTWCDYJSVOKL-CQSZACIVSA-N 1 2 319.405 3.141 10 0 DGAELO CCC[C@H]([NH2+]Cc1ccc(Br)cc1)C(=O)OCC ZINC000097988436 431975599 /nfs/dbraw/zinc/97/55/99/431975599.db2.gz YXWPJIZXKQJEAE-ZDUSSCGKSA-N 1 2 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CCCc1noc(C[N@H+]2CCN(c3ccccc3)C[C@@H]2CC)n1 ZINC000184007220 432344720 /nfs/dbraw/zinc/34/47/20/432344720.db2.gz AYEMZTCTEOGHHZ-HNNXBMFYSA-N 1 2 314.433 3.123 10 0 DGAELO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2nnnn2C(C)C)o1 ZINC000174437736 432348025 /nfs/dbraw/zinc/34/80/25/432348025.db2.gz PCVPQQWFMFEAIL-OCCSQVGLSA-N 1 2 303.410 3.129 10 0 DGAELO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2nnnn2C(C)C)o1 ZINC000174437736 432348029 /nfs/dbraw/zinc/34/80/29/432348029.db2.gz PCVPQQWFMFEAIL-OCCSQVGLSA-N 1 2 303.410 3.129 10 0 DGAELO C[C@@H](NC(=O)NCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174473811 432350672 /nfs/dbraw/zinc/35/06/72/432350672.db2.gz BGZICGDDINWQSC-OAHLLOKOSA-N 1 2 320.396 3.433 10 0 DGAELO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249724869 432355797 /nfs/dbraw/zinc/35/57/97/432355797.db2.gz PCQPLQXEFKJMOH-MSOLQXFVSA-N 1 2 316.445 3.392 10 0 DGAELO CC(C)c1ccccc1NC(=O)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249724869 432355811 /nfs/dbraw/zinc/35/58/11/432355811.db2.gz 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ZINC000153174718 432389965 /nfs/dbraw/zinc/38/99/65/432389965.db2.gz KBALAXBBMQTRQT-UHFFFAOYSA-N 1 2 322.771 3.262 10 0 DGAELO Cc1c[nH+]ccc1NC(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000184446028 432392722 /nfs/dbraw/zinc/39/27/22/432392722.db2.gz MRJYBNIFRXAGMV-UHFFFAOYSA-N 1 2 319.368 3.169 10 0 DGAELO C[C@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1cn[nH]c1 ZINC000271440114 432395836 /nfs/dbraw/zinc/39/58/36/432395836.db2.gz FCSDYLFOCPVTJA-BQBZGAKWSA-N 1 2 301.213 3.041 10 0 DGAELO FC(F)(F)c1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000253428118 432397657 /nfs/dbraw/zinc/39/76/57/432397657.db2.gz CAXGODUOAIBMFR-VIFPVBQESA-N 1 2 314.336 3.248 10 0 DGAELO COc1ccc(NC(=O)NCc2[nH+]ccn2CC(C)C)cc1F ZINC000175148271 432402034 /nfs/dbraw/zinc/40/20/34/432402034.db2.gz RCMWBDHRWFOSEM-UHFFFAOYSA-N 1 2 320.368 3.009 10 0 DGAELO CC(C)(C)OC[C@H](O)C[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192296466 432356148 /nfs/dbraw/zinc/35/61/48/432356148.db2.gz BULPCCSHVBGSEF-CYBMUJFWSA-N 1 2 313.388 3.105 10 0 DGAELO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192296466 432356151 /nfs/dbraw/zinc/35/61/51/432356151.db2.gz BULPCCSHVBGSEF-CYBMUJFWSA-N 1 2 313.388 3.105 10 0 DGAELO C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC(C)(C)C1 ZINC000184139899 432359325 /nfs/dbraw/zinc/35/93/25/432359325.db2.gz LPXMCQDRRZQCTF-BZUAXINKSA-N 1 2 303.450 3.337 10 0 DGAELO Brc1ccc2[nH]c(C[NH2+]Cc3cocn3)cc2c1 ZINC000192344681 432361403 /nfs/dbraw/zinc/36/14/03/432361403.db2.gz UGWHTIRRFZHYIL-UHFFFAOYSA-N 1 2 306.163 3.208 10 0 DGAELO CO[C@@H]1C[N@H+](Cc2nc3ccccc3n2C(F)F)CC[C@@H]1C ZINC000251639990 432368597 /nfs/dbraw/zinc/36/85/97/432368597.db2.gz HCUPAGCISLRVLX-SMDDNHRTSA-N 1 2 309.360 3.288 10 0 DGAELO CO[C@@H]1C[N@@H+](Cc2nc3ccccc3n2C(F)F)CC[C@@H]1C ZINC000251639990 432368605 /nfs/dbraw/zinc/36/86/05/432368605.db2.gz HCUPAGCISLRVLX-SMDDNHRTSA-N 1 2 309.360 3.288 10 0 DGAELO COc1cccc2c1nc(NCc1c[nH+]c3c(C)cccn13)n2C ZINC000184789518 432432832 /nfs/dbraw/zinc/43/28/32/432432832.db2.gz ICOYSUJHSXBKJU-UHFFFAOYSA-N 1 2 321.384 3.150 10 0 DGAELO COc1cccc2c1[nH+]c(NCc1cnn(C(C)(C)C)c1)n2C ZINC000184793749 432433910 /nfs/dbraw/zinc/43/39/10/432433910.db2.gz QLRMJHXWYLMALI-UHFFFAOYSA-N 1 2 313.405 3.146 10 0 DGAELO CC(C)C[C@@H](C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000184844031 432440205 /nfs/dbraw/zinc/44/02/05/432440205.db2.gz VETVDGUVJQBBKM-MRXNPFEDSA-N 1 2 313.445 3.424 10 0 DGAELO Cc1cccc(C2([NH2+]Cc3nc(N(C)C)no3)CCCC2)c1 ZINC000192755877 432411473 /nfs/dbraw/zinc/41/14/73/432411473.db2.gz GDRLTJBWTJABEK-UHFFFAOYSA-N 1 2 300.406 3.003 10 0 DGAELO CC[C@@H]1C[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H](C)O1 ZINC000175221971 432412358 /nfs/dbraw/zinc/41/23/58/432412358.db2.gz JUCLESBJBHXQOX-SWLSCSKDSA-N 1 2 304.365 3.480 10 0 DGAELO CC[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C[C@H](C)O1 ZINC000175221971 432412362 /nfs/dbraw/zinc/41/23/62/432412362.db2.gz JUCLESBJBHXQOX-SWLSCSKDSA-N 1 2 304.365 3.480 10 0 DGAELO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C)c2)cs1 ZINC000184716410 432425669 /nfs/dbraw/zinc/42/56/69/432425669.db2.gz ZFVVFXNLYZXNBK-GFCCVEGCSA-N 1 2 303.431 3.303 10 0 DGAELO O[C@H](C[N@H+](Cc1ccco1)Cc1cccs1)C(F)(F)F ZINC000185148776 432471356 /nfs/dbraw/zinc/47/13/56/432471356.db2.gz BLXLNNYJPHKADE-GFCCVEGCSA-N 1 2 305.321 3.267 10 0 DGAELO O[C@H](C[N@@H+](Cc1ccco1)Cc1cccs1)C(F)(F)F ZINC000185148776 432471358 /nfs/dbraw/zinc/47/13/58/432471358.db2.gz BLXLNNYJPHKADE-GFCCVEGCSA-N 1 2 305.321 3.267 10 0 DGAELO C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000175850627 432472366 /nfs/dbraw/zinc/47/23/66/432472366.db2.gz NJELJNUSMLBFMX-HUUCEWRRSA-N 1 2 312.417 3.202 10 0 DGAELO COCc1ccc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)o1 ZINC000154151627 432476190 /nfs/dbraw/zinc/47/61/90/432476190.db2.gz RFSGNXGCUTWIQV-UHFFFAOYSA-N 1 2 311.341 3.079 10 0 DGAELO CN(C)c1noc(C[NH2+]C(c2ccccc2)c2ccccc2)n1 ZINC000185271625 432484952 /nfs/dbraw/zinc/48/49/52/432484952.db2.gz JREWZAGFVAVOAU-UHFFFAOYSA-N 1 2 308.385 3.015 10 0 DGAELO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262919856 432508633 /nfs/dbraw/zinc/50/86/33/432508633.db2.gz GUALNRFPOMTQKI-MRXNPFEDSA-N 1 2 314.335 3.194 10 0 DGAELO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccc2ccccc2c1 ZINC000262961735 432509778 /nfs/dbraw/zinc/50/97/78/432509778.db2.gz KUTHBWGYIIIKKZ-IAQYHMDHSA-N 1 2 304.340 3.014 10 0 DGAELO CN(C)c1[nH+]cccc1CNC(=O)N(C)C1CCC(C)(C)CC1 ZINC000154036760 432466671 /nfs/dbraw/zinc/46/66/71/432466671.db2.gz LXEWJNFIZYKJAJ-UHFFFAOYSA-N 1 2 318.465 3.258 10 0 DGAELO OCC[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccco1 ZINC000185098786 432466917 /nfs/dbraw/zinc/46/69/17/432466917.db2.gz OISXBMBTAZLZPK-AWEZNQCLSA-N 1 2 316.332 3.287 10 0 DGAELO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)ccc1F ZINC000154054154 432468164 /nfs/dbraw/zinc/46/81/64/432468164.db2.gz TWLHEGRTZLGGOT-NEPJUHHUSA-N 1 2 318.396 3.174 10 0 DGAELO CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185138568 432470347 /nfs/dbraw/zinc/47/03/47/432470347.db2.gz UPMSMRGBQYNWMO-CABCVRRESA-N 1 2 313.401 3.193 10 0 DGAELO Cc1ccc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1C ZINC000185755603 432530299 /nfs/dbraw/zinc/53/02/99/432530299.db2.gz LYORXLCLKXBVDU-UHFFFAOYSA-N 1 2 322.412 3.290 10 0 DGAELO C[C@H]1CCCC[C@H]1C[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000185753255 432530616 /nfs/dbraw/zinc/53/06/16/432530616.db2.gz AXZSREMPISWHCA-GJZGRUSLSA-N 1 2 314.433 3.300 10 0 DGAELO C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000194191221 432531294 /nfs/dbraw/zinc/53/12/94/432531294.db2.gz ZJJBLAWIFYBIJR-YPMHNXCESA-N 1 2 319.792 3.137 10 0 DGAELO Cc1cnn([C@@H]2CCCN(c3nc(C)[nH+]c4c3CCCC4)C2)c1 ZINC000272837853 432537299 /nfs/dbraw/zinc/53/72/99/432537299.db2.gz IBOIBXNYCCMZTN-OAHLLOKOSA-N 1 2 311.433 3.010 10 0 DGAELO Cc1oc2ccccc2c1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000185867511 432539378 /nfs/dbraw/zinc/53/93/78/432539378.db2.gz UZZUTGQIBQCVNR-UHFFFAOYSA-N 1 2 305.337 3.319 10 0 DGAELO Cc1ccc(NC(=O)N2CCC(OCC(C)C)CC2)c(C)[nH+]1 ZINC000176708913 432544925 /nfs/dbraw/zinc/54/49/25/432544925.db2.gz CGXNZUVJBVSSNN-UHFFFAOYSA-N 1 2 305.422 3.367 10 0 DGAELO Cc1ccc(NC(=O)N[C@@H](C)COCc2ccccc2)c(C)[nH+]1 ZINC000176713139 432545025 /nfs/dbraw/zinc/54/50/25/432545025.db2.gz FZWZYCSENWBKNT-AWEZNQCLSA-N 1 2 313.401 3.425 10 0 DGAELO C[C@H](c1cccc(Cl)c1F)[N@H+](C)CC(=O)NC(C)(C)C ZINC000186574243 432608525 /nfs/dbraw/zinc/60/85/25/432608525.db2.gz DLSRUOLZYPEFOQ-SNVBAGLBSA-N 1 2 300.805 3.387 10 0 DGAELO C[C@H](c1cccc(Cl)c1F)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000186574243 432608530 /nfs/dbraw/zinc/60/85/30/432608530.db2.gz DLSRUOLZYPEFOQ-SNVBAGLBSA-N 1 2 300.805 3.387 10 0 DGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nc(Cl)ccc2Cl)cn1 ZINC000273204352 432565618 /nfs/dbraw/zinc/56/56/18/432565618.db2.gz SKOUGZHFABNTSP-ZDUSSCGKSA-N 1 2 311.216 3.459 10 0 DGAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2nc(Cl)ccc2Cl)cn1 ZINC000273204352 432565622 /nfs/dbraw/zinc/56/56/22/432565622.db2.gz SKOUGZHFABNTSP-ZDUSSCGKSA-N 1 2 311.216 3.459 10 0 DGAELO Cc1c2ccccc2oc1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263827774 432582838 /nfs/dbraw/zinc/58/28/38/432582838.db2.gz OBHDIRZHCBTCJH-UHFFFAOYSA-N 1 2 309.369 3.204 10 0 DGAELO CCn1c(C)nnc1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000195053763 432597602 /nfs/dbraw/zinc/59/76/02/432597602.db2.gz QIBADVCAHGRJQZ-UHFFFAOYSA-N 1 2 312.339 3.257 10 0 DGAELO CCn1c(C)nnc1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000195053763 432597607 /nfs/dbraw/zinc/59/76/07/432597607.db2.gz QIBADVCAHGRJQZ-UHFFFAOYSA-N 1 2 312.339 3.257 10 0 DGAELO O=C(c1cc2ccccc2s1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195087077 432599770 /nfs/dbraw/zinc/59/97/70/432599770.db2.gz QWBJNCBWIBPSEH-AWEZNQCLSA-N 1 2 300.427 3.212 10 0 DGAELO O=C(c1cc2ccccc2s1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195087077 432599774 /nfs/dbraw/zinc/59/97/74/432599774.db2.gz QWBJNCBWIBPSEH-AWEZNQCLSA-N 1 2 300.427 3.212 10 0 DGAELO CCCOC1(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)CCCCC1 ZINC000177401591 432620038 /nfs/dbraw/zinc/62/00/38/432620038.db2.gz RDJZUJUJWUEURH-OAHLLOKOSA-N 1 2 319.449 3.006 10 0 DGAELO C[C@H]1COCC[C@H]1C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000195357026 432620473 /nfs/dbraw/zinc/62/04/73/432620473.db2.gz RUPZKCDAWCKKDD-WCQYABFASA-N 1 2 315.417 3.472 10 0 DGAELO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000177416633 432622101 /nfs/dbraw/zinc/62/21/01/432622101.db2.gz NLXUIGRJZCOPPX-RHSMWYFYSA-N 1 2 300.402 3.214 10 0 DGAELO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cccc2c1OCO2 ZINC000130633285 288388599 /nfs/dbraw/zinc/38/85/99/288388599.db2.gz ALEWUUAYHXLKQC-RDTXWAMCSA-N 1 2 311.381 3.377 10 0 DGAELO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cccc2c1OCO2 ZINC000130633285 288388600 /nfs/dbraw/zinc/38/86/00/288388600.db2.gz ALEWUUAYHXLKQC-RDTXWAMCSA-N 1 2 311.381 3.377 10 0 DGAELO Cc1ccc(C[S@@](=O)Cc2noc3c2CCCC3)c(C)[nH+]1 ZINC000187156249 432650491 /nfs/dbraw/zinc/65/04/91/432650491.db2.gz VJWLWYAOQWXHCV-OAQYLSRUSA-N 1 2 304.415 3.014 10 0 DGAELO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(C)n2C2CC2)C1(C)C ZINC000177740617 432656052 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O=C(c1csc2ccccc12)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177791255 432662482 /nfs/dbraw/zinc/66/24/82/432662482.db2.gz QJPFDZNAHJUCAA-CYBMUJFWSA-N 1 2 311.410 3.403 10 0 DGAELO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177793201 432662722 /nfs/dbraw/zinc/66/27/22/432662722.db2.gz VFYKIRGKXHCDGO-CHWSQXEVSA-N 1 2 323.506 3.147 10 0 DGAELO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177793201 432662724 /nfs/dbraw/zinc/66/27/24/432662724.db2.gz VFYKIRGKXHCDGO-CHWSQXEVSA-N 1 2 323.506 3.147 10 0 DGAELO O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177802176 432663774 /nfs/dbraw/zinc/66/37/74/432663774.db2.gz NHHWFASWGVFVIT-CQSZACIVSA-N 1 2 323.318 3.207 10 0 DGAELO CCc1ccc(NC(=O)NCc2ccc[nH+]c2N(C)C)cc1F ZINC000159138007 432672680 /nfs/dbraw/zinc/67/26/80/432672680.db2.gz ATDGOGIRXGMAKQ-UHFFFAOYSA-N 1 2 316.380 3.171 10 0 DGAELO Cc1nc([C@@H]2CCC[N@H+]2CC(=O)N(C(C)C)C(C)C)cs1 ZINC000189753920 432815933 /nfs/dbraw/zinc/81/59/33/432815933.db2.gz 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NWYRBJDAGKRVAT-IBGZPJMESA-N 1 2 310.397 3.485 10 0 DGAELO c1coc(-c2cc(C[N@H+]3CCOC[C@H]3CC3CCC3)no2)c1 ZINC000339773452 433769107 /nfs/dbraw/zinc/76/91/07/433769107.db2.gz RMFWKTSKAQLSKN-OAHLLOKOSA-N 1 2 302.374 3.326 10 0 DGAELO c1coc(-c2cc(C[N@@H+]3CCOC[C@H]3CC3CCC3)no2)c1 ZINC000339773452 433769115 /nfs/dbraw/zinc/76/91/15/433769115.db2.gz RMFWKTSKAQLSKN-OAHLLOKOSA-N 1 2 302.374 3.326 10 0 DGAELO c1ccc(OCC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000301870960 433770693 /nfs/dbraw/zinc/77/06/93/433770693.db2.gz IREUMIADURXWJY-UHFFFAOYSA-N 1 2 308.385 3.253 10 0 DGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000090227121 293526689 /nfs/dbraw/zinc/52/66/89/293526689.db2.gz BXNJXDOSDPVLRF-AMIZOPFISA-N 1 2 310.323 3.190 10 0 DGAELO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1nc(C2CC2)no1 ZINC000284282731 433875634 /nfs/dbraw/zinc/87/56/34/433875634.db2.gz NKXSCCYFKZMHIE-MAZHCROVSA-N 1 2 312.417 3.043 10 0 DGAELO CC(C)c1nc([C@@H]2CCCN2c2nc(N)c3ccccc3[nH+]2)no1 ZINC000302756512 433854188 /nfs/dbraw/zinc/85/41/88/433854188.db2.gz VYMXTBLWPZXYCY-ZDUSSCGKSA-N 1 2 324.388 3.060 10 0 DGAELO FC(F)(F)c1cnc(NCCc2cn3ccccc3[nH+]2)s1 ZINC000302780187 433861379 /nfs/dbraw/zinc/86/13/79/433861379.db2.gz RDYCNMGESSVRAK-UHFFFAOYSA-N 1 2 312.320 3.464 10 0 DGAELO CC(C)COc1ccc(CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000302881470 433893635 /nfs/dbraw/zinc/89/36/35/433893635.db2.gz HZHZFYVOHLAXRK-UHFFFAOYSA-N 1 2 306.797 3.359 10 0 DGAELO CC(C)COc1ccc(CNc2[nH+]cnc(N)c2Cl)cc1 ZINC000302881470 433893643 /nfs/dbraw/zinc/89/36/43/433893643.db2.gz HZHZFYVOHLAXRK-UHFFFAOYSA-N 1 2 306.797 3.359 10 0 DGAELO c1cnn(Cc2noc(-c3cccc(Oc4cc[nH+]cc4)c3)n2)c1 ZINC000340177390 433960575 /nfs/dbraw/zinc/96/05/75/433960575.db2.gz NMBJANJMDGMFCD-UHFFFAOYSA-N 1 2 319.324 3.169 10 0 DGAELO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)c1csnn1 ZINC000398367104 293854074 /nfs/dbraw/zinc/85/40/74/293854074.db2.gz NWDVMWNHDLJFBW-SSDOTTSWSA-N 1 2 316.199 3.291 10 0 DGAELO Fc1cc2c(c(F)c1)[C@H]([NH2+]Cc1ccc(-c3cc[nH]n3)o1)CO2 ZINC000378196014 434107819 /nfs/dbraw/zinc/10/78/19/434107819.db2.gz GVNTVAILUKDFKH-CYBMUJFWSA-N 1 2 317.295 3.171 10 0 DGAELO CC(C)c1[nH]ccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000505229364 294231645 /nfs/dbraw/zinc/23/16/45/294231645.db2.gz HNUBHGIATDLULF-UHFFFAOYSA-N 1 2 322.412 3.313 10 0 DGAELO COc1ccc(OC)c(CNc2[nH]c3cccc(Cl)c3[nH+]2)c1 ZINC000508505782 294324341 /nfs/dbraw/zinc/32/43/41/294324341.db2.gz QQEFNZABIDRLLQ-UHFFFAOYSA-N 1 2 317.776 3.268 10 0 DGAELO Cc1[nH+]c2ccccc2n1CCc1nc(-c2ccc(O)cc2)no1 ZINC000436873202 434147482 /nfs/dbraw/zinc/14/74/82/434147482.db2.gz VLQYFWAWPIQWHY-UHFFFAOYSA-N 1 2 320.352 3.343 10 0 DGAELO c1cc(-c2ccc(C[N@@H+]3CCO[C@@H](c4ccsc4)C3)o2)n[nH]1 ZINC000378560228 434220507 /nfs/dbraw/zinc/22/05/07/434220507.db2.gz FHJKTDSWHYCPRR-MRXNPFEDSA-N 1 2 315.398 3.305 10 0 DGAELO c1cc(-c2ccc(C[N@H+]3CCO[C@@H](c4ccsc4)C3)o2)n[nH]1 ZINC000378560228 434220517 /nfs/dbraw/zinc/22/05/17/434220517.db2.gz FHJKTDSWHYCPRR-MRXNPFEDSA-N 1 2 315.398 3.305 10 0 DGAELO CC[C@@H](C[NH2+][C@@H](C(=O)OC)C1CC1)Oc1ccccc1Cl ZINC000513426339 294472903 /nfs/dbraw/zinc/47/29/03/294472903.db2.gz GZQKNUIEXKXWNT-SWLSCSKDSA-N 1 2 311.809 3.039 10 0 DGAELO COC(=O)[C@@H]([NH2+]CC1(c2cccc(C)c2)CCCC1)C1CC1 ZINC000513458358 294474102 /nfs/dbraw/zinc/47/41/02/294474102.db2.gz QBLBFQUGQIOSGC-KRWDZBQOSA-N 1 2 301.430 3.348 10 0 DGAELO FC1(c2ccccn2)CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000295129765 434220753 /nfs/dbraw/zinc/22/07/53/434220753.db2.gz CCYKVUWGGACVEF-UHFFFAOYSA-N 1 2 301.365 3.408 10 0 DGAELO CC(C)c1nnc(C[N@H+](C)CCCC(=O)OC(C)(C)C)s1 ZINC000450422069 434167049 /nfs/dbraw/zinc/16/70/49/434167049.db2.gz MMVUXTUQFTUBNU-UHFFFAOYSA-N 1 2 313.467 3.215 10 0 DGAELO CC(C)c1nnc(C[N@@H+](C)CCCC(=O)OC(C)(C)C)s1 ZINC000450422069 434167054 /nfs/dbraw/zinc/16/70/54/434167054.db2.gz MMVUXTUQFTUBNU-UHFFFAOYSA-N 1 2 313.467 3.215 10 0 DGAELO OC[C@@H](CNc1[nH+]ccc2cc(C(F)(F)F)ccc21)C1CC1 ZINC000450542722 434254288 /nfs/dbraw/zinc/25/42/88/434254288.db2.gz WPLYFZACEARPMG-GFCCVEGCSA-N 1 2 310.319 3.106 10 0 DGAELO Cc1ncccc1C[N@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000328655025 434297830 /nfs/dbraw/zinc/29/78/30/434297830.db2.gz XYYDCFKIPHHREV-GOSISDBHSA-N 1 2 310.445 3.339 10 0 DGAELO Cc1ncccc1C[N@@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000328655025 434297837 /nfs/dbraw/zinc/29/78/37/434297837.db2.gz XYYDCFKIPHHREV-GOSISDBHSA-N 1 2 310.445 3.339 10 0 DGAELO CCOC(=O)[C@@H](CC)[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000437611657 434305245 /nfs/dbraw/zinc/30/52/45/434305245.db2.gz DKYZNEIHJBQXOC-QGZVFWFLSA-N 1 2 303.402 3.126 10 0 DGAELO CCOC(=O)[C@@H](CC)[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000437611657 434305261 /nfs/dbraw/zinc/30/52/61/434305261.db2.gz DKYZNEIHJBQXOC-QGZVFWFLSA-N 1 2 303.402 3.126 10 0 DGAELO Cc1cnc(C[NH2+][C@@H](C)c2ccccc2Br)nc1 ZINC000341073093 434530518 /nfs/dbraw/zinc/53/05/18/434530518.db2.gz NQLOPWOQKPRRQY-NSHDSACASA-N 1 2 306.207 3.398 10 0 DGAELO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1C1CCCC1 ZINC000407994972 434534633 /nfs/dbraw/zinc/53/46/33/434534633.db2.gz FADARYGHJHDDTP-MRXNPFEDSA-N 1 2 316.449 3.084 10 0 DGAELO COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@](C)(F)C3)co2)cc1 ZINC000360210183 434547435 /nfs/dbraw/zinc/54/74/35/434547435.db2.gz VEGVGSRVUSXPRK-KRWDZBQOSA-N 1 2 318.348 3.062 10 0 DGAELO COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@](C)(F)C3)co2)cc1 ZINC000360210183 434547441 /nfs/dbraw/zinc/54/74/41/434547441.db2.gz VEGVGSRVUSXPRK-KRWDZBQOSA-N 1 2 318.348 3.062 10 0 DGAELO c1nnc([C@H]([NH2+]CC(C2CCC2)C2CCC2)c2cccnc2)[nH]1 ZINC000527925405 295151068 /nfs/dbraw/zinc/15/10/68/295151068.db2.gz BEMCFUGOTQGBPY-QGZVFWFLSA-N 1 2 311.433 3.095 10 0 DGAELO c1nnc([C@@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)C2CCCCC2)[nH]1 ZINC000527999145 295163317 /nfs/dbraw/zinc/16/33/17/295163317.db2.gz FNROHDHLAWJJNN-IRXDYDNUSA-N 1 2 317.481 3.033 10 0 DGAELO c1nnc([C@@H](NC[C@@H]2CC[N@H+]2C2CCCC2)C2CCCCC2)[nH]1 ZINC000527999145 295163318 /nfs/dbraw/zinc/16/33/18/295163318.db2.gz FNROHDHLAWJJNN-IRXDYDNUSA-N 1 2 317.481 3.033 10 0 DGAELO c1nnc([C@@H]([NH2+]C[C@@H]2CCN2C2CCCC2)C2CCCCC2)[nH]1 ZINC000527999145 295163320 /nfs/dbraw/zinc/16/33/20/295163320.db2.gz FNROHDHLAWJJNN-IRXDYDNUSA-N 1 2 317.481 3.033 10 0 DGAELO c1cn(-c2cc(-c3noc([C@H]4CCCC45CC5)n3)ccn2)c[nH+]1 ZINC000528137652 295179710 /nfs/dbraw/zinc/17/97/10/295179710.db2.gz OWNIJRYCCCQPRP-CYBMUJFWSA-N 1 2 307.357 3.365 10 0 DGAELO Cc1cc(C)c(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(C)[nH+]1 ZINC000408469984 434579480 /nfs/dbraw/zinc/57/94/80/434579480.db2.gz TXQDQOHMSJFGGT-MAUKXSAKSA-N 1 2 317.433 3.166 10 0 DGAELO C[C@H]1CCOCC[N@@H+]1CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000360791348 434695744 /nfs/dbraw/zinc/69/57/44/434695744.db2.gz FUTNXZXOZAMUFH-BBRMVZONSA-N 1 2 324.490 3.062 10 0 DGAELO C[C@H]1CCOCC[N@H+]1CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000360791348 434695750 /nfs/dbraw/zinc/69/57/50/434695750.db2.gz FUTNXZXOZAMUFH-BBRMVZONSA-N 1 2 324.490 3.062 10 0 DGAELO CCc1nc(C[NH+]2CCC(c3nccc(C)n3)CC2)cs1 ZINC000371833684 434757328 /nfs/dbraw/zinc/75/73/28/434757328.db2.gz CJVVULXBRIXBQQ-UHFFFAOYSA-N 1 2 302.447 3.184 10 0 DGAELO Cc1ccc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)c(C)[nH+]1 ZINC000446417866 434862085 /nfs/dbraw/zinc/86/20/85/434862085.db2.gz BYPZLOAEMHKDNZ-BEFAXECRSA-N 1 2 308.381 3.377 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000372452569 434829969 /nfs/dbraw/zinc/82/99/69/434829969.db2.gz BRMLITRLBHGTJP-CYBMUJFWSA-N 1 2 315.392 3.094 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cccc(F)c1)CC2 ZINC000372452569 434829971 /nfs/dbraw/zinc/82/99/71/434829971.db2.gz BRMLITRLBHGTJP-CYBMUJFWSA-N 1 2 315.392 3.094 10 0 DGAELO Brc1csc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000372468715 434831894 /nfs/dbraw/zinc/83/18/94/434831894.db2.gz LQNIVBAPOQMEDA-GFCCVEGCSA-N 1 2 302.237 3.121 10 0 DGAELO Brc1csc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000372468715 434831898 /nfs/dbraw/zinc/83/18/98/434831898.db2.gz LQNIVBAPOQMEDA-GFCCVEGCSA-N 1 2 302.237 3.121 10 0 DGAELO C(c1nc(C2CCCC2)no1)[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000573610558 434911283 /nfs/dbraw/zinc/91/12/83/434911283.db2.gz QOOKMMRKRGYJFV-GDBMZVCRSA-N 1 2 317.433 3.261 10 0 DGAELO C(c1nc(C2CCCC2)no1)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000573610558 434911286 /nfs/dbraw/zinc/91/12/86/434911286.db2.gz QOOKMMRKRGYJFV-GDBMZVCRSA-N 1 2 317.433 3.261 10 0 DGAELO O=C(NCc1cc2ccccc2o1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000523291110 434942151 /nfs/dbraw/zinc/94/21/51/434942151.db2.gz RLKAAYMBVAPKQV-UHFFFAOYSA-N 1 2 324.384 3.245 10 0 DGAELO CC1=[N+](O)[C@@](C)(c2ccc(Cl)cc2)[N+]([O-])=C1c1ccccc1 ZINC000575346739 435031884 /nfs/dbraw/zinc/03/18/84/435031884.db2.gz IKJLBEWBFUJZFR-QGZVFWFLSA-N 1 2 316.788 3.280 10 0 DGAELO c1csc([C@H]([NH2+][C@@H]2CCc3ccccc3C2)c2nnc[nH]2)c1 ZINC000556050861 434991472 /nfs/dbraw/zinc/99/14/72/434991472.db2.gz MTXSHWMNNGVNNP-ZBFHGGJFSA-N 1 2 310.426 3.103 10 0 DGAELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000532705612 435187786 /nfs/dbraw/zinc/18/77/86/435187786.db2.gz DMKWBHRKVLKHMV-HNNXBMFYSA-N 1 2 311.809 3.135 10 0 DGAELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCOc1cccc(Cl)c1 ZINC000532705612 435187791 /nfs/dbraw/zinc/18/77/91/435187791.db2.gz DMKWBHRKVLKHMV-HNNXBMFYSA-N 1 2 311.809 3.135 10 0 DGAELO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)o1 ZINC000532380290 435161678 /nfs/dbraw/zinc/16/16/78/435161678.db2.gz VTMVGQJFUDFHID-STQMWFEESA-N 1 2 323.437 3.137 10 0 DGAELO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)o1 ZINC000532380290 435161683 /nfs/dbraw/zinc/16/16/83/435161683.db2.gz VTMVGQJFUDFHID-STQMWFEESA-N 1 2 323.437 3.137 10 0 DGAELO c1ccc([C@H]2CC[C@H](CNc3cc(N4CCCC4)nc[nH+]3)O2)cc1 ZINC000561382586 435214137 /nfs/dbraw/zinc/21/41/37/435214137.db2.gz QFXIYIRQMIPJPK-IAGOWNOFSA-N 1 2 324.428 3.409 10 0 DGAELO c1ccc([C@H]2CC[C@H](CNc3cc(N4CCCC4)[nH+]cn3)O2)cc1 ZINC000561382586 435214143 /nfs/dbraw/zinc/21/41/43/435214143.db2.gz QFXIYIRQMIPJPK-IAGOWNOFSA-N 1 2 324.428 3.409 10 0 DGAELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1OC(C)C ZINC000533378841 435229076 /nfs/dbraw/zinc/22/90/76/435229076.db2.gz SCUPRVDWBWDSJW-INIZCTEOSA-N 1 2 305.418 3.390 10 0 DGAELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1OC(C)C ZINC000533378841 435229081 /nfs/dbraw/zinc/22/90/81/435229081.db2.gz SCUPRVDWBWDSJW-INIZCTEOSA-N 1 2 305.418 3.390 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C[C@@H]1CC=CCC1)C2 ZINC000476636360 435242091 /nfs/dbraw/zinc/24/20/91/435242091.db2.gz VRYTVKUPGQSTOY-CABCVRRESA-N 1 2 315.461 3.453 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C[C@@H]1CC=CCC1)CC2 ZINC000476636360 435242096 /nfs/dbraw/zinc/24/20/96/435242096.db2.gz VRYTVKUPGQSTOY-CABCVRRESA-N 1 2 315.461 3.453 10 0 DGAELO CC[C@]1(C)COCC[N@@H+]1Cc1nc(-c2ccc(C)cc2)no1 ZINC000534118095 435265894 /nfs/dbraw/zinc/26/58/94/435265894.db2.gz NKFWSIWFUYVARU-QGZVFWFLSA-N 1 2 301.390 3.046 10 0 DGAELO CC[C@]1(C)COCC[N@H+]1Cc1nc(-c2ccc(C)cc2)no1 ZINC000534118095 435265897 /nfs/dbraw/zinc/26/58/97/435265897.db2.gz NKFWSIWFUYVARU-QGZVFWFLSA-N 1 2 301.390 3.046 10 0 DGAELO COc1ccc(CN2C[C@H](OC)C[C@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000643772506 435367652 /nfs/dbraw/zinc/36/76/52/435367652.db2.gz DQYOLCDDOKWMRF-OCCSQVGLSA-N 1 2 321.808 3.034 10 0 DGAELO COC(=O)[C@H]([NH2+]CCCc1ccc(Cl)cc1Cl)C1CC1 ZINC000513458574 435388929 /nfs/dbraw/zinc/38/89/29/435388929.db2.gz RYDGQSXMGNHQTN-CQSZACIVSA-N 1 2 316.228 3.467 10 0 DGAELO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCCCC[C@@H]1C ZINC000548606088 435704901 /nfs/dbraw/zinc/70/49/01/435704901.db2.gz DXWQPTRNZQPXRC-AWEZNQCLSA-N 1 2 314.433 3.319 10 0 DGAELO Cc1cccnc1C[N@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000275704853 302236421 /nfs/dbraw/zinc/23/64/21/302236421.db2.gz XVPSYTDTCWKALP-GOSISDBHSA-N 1 2 310.445 3.339 10 0 DGAELO Cc1cccnc1C[N@@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000275704853 302236424 /nfs/dbraw/zinc/23/64/24/302236424.db2.gz XVPSYTDTCWKALP-GOSISDBHSA-N 1 2 310.445 3.339 10 0 DGAELO CN(C)c1[nH+]cccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171748094 312729536 /nfs/dbraw/zinc/72/95/36/312729536.db2.gz CXDKXBCJDMOIFB-RYUDHWBXSA-N 1 2 317.339 3.168 10 0 DGAELO Cc1ccc2[nH+]c(CNc3cc(Cl)ccc3C(N)=O)cn2c1 ZINC000176937453 312778318 /nfs/dbraw/zinc/77/83/18/312778318.db2.gz PQGQANXROZWQGQ-UHFFFAOYSA-N 1 2 314.776 3.007 10 0 DGAELO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(Br)cn1 ZINC000528763709 313075959 /nfs/dbraw/zinc/07/59/59/313075959.db2.gz BBSMJGHCACEYGF-SECBINFHSA-N 1 2 305.166 3.464 10 0 DGAELO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(Br)cn1 ZINC000528763709 313075960 /nfs/dbraw/zinc/07/59/60/313075960.db2.gz BBSMJGHCACEYGF-SECBINFHSA-N 1 2 305.166 3.464 10 0 DGAELO O=C(NC1(c2ccccc2)CCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000532763843 313576131 /nfs/dbraw/zinc/57/61/31/313576131.db2.gz SBJYTIQVGCFWAK-MRXNPFEDSA-N 1 2 323.440 3.421 10 0 DGAELO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000541986612 314051169 /nfs/dbraw/zinc/05/11/69/314051169.db2.gz VWWXRQUMKYNQCC-CYBMUJFWSA-N 1 2 302.201 3.377 10 0 DGAELO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000541986612 314051175 /nfs/dbraw/zinc/05/11/75/314051175.db2.gz VWWXRQUMKYNQCC-CYBMUJFWSA-N 1 2 302.201 3.377 10 0 DGAELO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542165575 314059667 /nfs/dbraw/zinc/05/96/67/314059667.db2.gz FZBSAPWMRGAIHH-PIIMJCKOSA-N 1 2 315.461 3.338 10 0 DGAELO c1ccc(N2CCC(Nc3cccc4c3OCCC4)CC2)[nH+]c1 ZINC000542842080 314102474 /nfs/dbraw/zinc/10/24/74/314102474.db2.gz XVASDGWGTVOXHX-UHFFFAOYSA-N 1 2 309.413 3.488 10 0 DGAELO CS[C@@H](C)Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000544805787 314211742 /nfs/dbraw/zinc/21/17/42/314211742.db2.gz WKIPQJCTJNUUFL-NSHDSACASA-N 1 2 300.387 3.216 10 0 DGAELO COCCC1(c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCC1 ZINC000546401200 314303958 /nfs/dbraw/zinc/30/39/58/314303958.db2.gz MEJQQVRZZXQNOE-UHFFFAOYSA-N 1 2 324.384 3.381 10 0 DGAELO Brc1cncc([C@@H]([NH2+]Cc2cocn2)C2CC2)c1 ZINC000556407869 314756824 /nfs/dbraw/zinc/75/68/24/314756824.db2.gz KXTJJPDVLMLPCC-ZDUSSCGKSA-N 1 2 308.179 3.073 10 0 DGAELO 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3.089 10 0 DGAELO c1cnn(C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)o3)CCO2)c1 ZINC000122146915 431815730 /nfs/dbraw/zinc/81/57/30/431815730.db2.gz YBYPZGUTQQLJMK-SFHVURJKSA-N 1 2 323.396 3.044 10 0 DGAELO c1cnn(C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)o3)CCO2)c1 ZINC000122146915 431815736 /nfs/dbraw/zinc/81/57/36/431815736.db2.gz YBYPZGUTQQLJMK-SFHVURJKSA-N 1 2 323.396 3.044 10 0 DGAELO CCCCC[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC000121360481 431775377 /nfs/dbraw/zinc/77/53/77/431775377.db2.gz SJQZXYNNUHKIHN-OKZBNKHCSA-N 1 2 324.509 3.018 10 0 DGAELO C[C@H]([NH2+]Cc1nc(=O)c2sccc2[nH]1)c1cccc(Cl)c1 ZINC000037975724 431852131 /nfs/dbraw/zinc/85/21/31/431852131.db2.gz JVXOWHYKJYTNQS-VIFPVBQESA-N 1 2 319.817 3.489 10 0 DGAELO C[C@H](c1nccs1)[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095089092 431922247 /nfs/dbraw/zinc/92/22/47/431922247.db2.gz MEHXDQNPORXEKQ-VXGBXAGGSA-N 1 2 311.451 3.193 10 0 DGAELO C[C@H](c1nccs1)[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095089092 431922249 /nfs/dbraw/zinc/92/22/49/431922249.db2.gz MEHXDQNPORXEKQ-VXGBXAGGSA-N 1 2 311.451 3.193 10 0 DGAELO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc2ccccc2n1 ZINC000123852509 431876083 /nfs/dbraw/zinc/87/60/83/431876083.db2.gz YRICNZYKRSRHPY-OAHLLOKOSA-N 1 2 319.408 3.283 10 0 DGAELO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc2ccccc2n1 ZINC000123852509 431876084 /nfs/dbraw/zinc/87/60/84/431876084.db2.gz YRICNZYKRSRHPY-OAHLLOKOSA-N 1 2 319.408 3.283 10 0 DGAELO CC[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000045897701 431890718 /nfs/dbraw/zinc/89/07/18/431890718.db2.gz KARDWXKKKWVZDF-KRWDZBQOSA-N 1 2 320.396 3.077 10 0 DGAELO Cc1cc(C)c(NC(=O)CSCC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000124519915 431896522 /nfs/dbraw/zinc/89/65/22/431896522.db2.gz NVZWCTZVTBXXSN-UHFFFAOYSA-N 1 2 324.446 3.020 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnc(C(C)(C)C)s3)[C@H]2C1 ZINC000092096916 431907245 /nfs/dbraw/zinc/90/72/45/431907245.db2.gz NMJJKSBGXLSFDX-SNPRPXQTSA-N 1 2 324.490 3.209 10 0 DGAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnc(C(C)(C)C)s3)[C@H]2C1 ZINC000092096916 431907247 /nfs/dbraw/zinc/90/72/47/431907247.db2.gz NMJJKSBGXLSFDX-SNPRPXQTSA-N 1 2 324.490 3.209 10 0 DGAELO CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127645368 431977654 /nfs/dbraw/zinc/97/76/54/431977654.db2.gz VHYTUEDUOWOQFQ-LJQANCHMSA-N 1 2 313.397 3.364 10 0 DGAELO CCOc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127645368 431977657 /nfs/dbraw/zinc/97/76/57/431977657.db2.gz VHYTUEDUOWOQFQ-LJQANCHMSA-N 1 2 313.397 3.364 10 0 DGAELO COc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000125466502 431926901 /nfs/dbraw/zinc/92/69/01/431926901.db2.gz SLTNYQWYUYXPAD-KRWDZBQOSA-N 1 2 319.426 3.339 10 0 DGAELO COc1ccc(OC)c(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000125466502 431926903 /nfs/dbraw/zinc/92/69/03/431926903.db2.gz SLTNYQWYUYXPAD-KRWDZBQOSA-N 1 2 319.426 3.339 10 0 DGAELO CCOC(=O)C[N@H+](CC)CCOc1c(Cl)cccc1Cl ZINC000049948256 431945875 /nfs/dbraw/zinc/94/58/75/431945875.db2.gz SEJTUMVEWCWGGT-UHFFFAOYSA-N 1 2 320.216 3.257 10 0 DGAELO CCOC(=O)C[N@@H+](CC)CCOc1c(Cl)cccc1Cl ZINC000049948256 431945876 /nfs/dbraw/zinc/94/58/76/431945876.db2.gz SEJTUMVEWCWGGT-UHFFFAOYSA-N 1 2 320.216 3.257 10 0 DGAELO C[C@H]1CCN(C(=O)C(C)(C)c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000126424633 431949534 /nfs/dbraw/zinc/94/95/34/431949534.db2.gz CTLGOBXDSXLIBQ-KBPBESRZSA-N 1 2 317.458 3.332 10 0 DGAELO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1F ZINC000126928438 431961673 /nfs/dbraw/zinc/96/16/73/431961673.db2.gz NPJGMSQXGAABQQ-GOSISDBHSA-N 1 2 317.360 3.113 10 0 DGAELO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1F ZINC000126928438 431961675 /nfs/dbraw/zinc/96/16/75/431961675.db2.gz NPJGMSQXGAABQQ-GOSISDBHSA-N 1 2 317.360 3.113 10 0 DGAELO CCC(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127122505 431965405 /nfs/dbraw/zinc/96/54/05/431965405.db2.gz PWTMNENMTXHZNK-HZPDHXFCSA-N 1 2 310.388 3.262 10 0 DGAELO CCC(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127122505 431965408 /nfs/dbraw/zinc/96/54/08/431965408.db2.gz PWTMNENMTXHZNK-HZPDHXFCSA-N 1 2 310.388 3.262 10 0 DGAELO Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000127970712 431984950 /nfs/dbraw/zinc/98/49/50/431984950.db2.gz ZJORKRKSWWBFFO-HOTGVXAUSA-N 1 2 324.428 3.029 10 0 DGAELO CC1(C)CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156563409 281141122 /nfs/dbraw/zinc/14/11/22/281141122.db2.gz PEQXSMDYJNBIJP-QAPCUYQASA-N 1 2 323.440 3.275 10 0 DGAELO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000151746428 432273163 /nfs/dbraw/zinc/27/31/63/432273163.db2.gz RRMLTNVAUCTPET-AEGPPILISA-N 1 2 316.405 3.138 10 0 DGAELO Cc1ccc([C@H]2C[N@H+](Cc3cnn(CC(C)C)c3)CCO2)o1 ZINC000183395553 432290275 /nfs/dbraw/zinc/29/02/75/432290275.db2.gz YPDDSTSOBBZEKI-QGZVFWFLSA-N 1 2 303.406 3.014 10 0 DGAELO Cc1ccc([C@H]2C[N@@H+](Cc3cnn(CC(C)C)c3)CCO2)o1 ZINC000183395553 432290280 /nfs/dbraw/zinc/29/02/80/432290280.db2.gz YPDDSTSOBBZEKI-QGZVFWFLSA-N 1 2 303.406 3.014 10 0 DGAELO CCn1cc[nH+]c1CN[C@@H](c1ccc(OC)cc1)C(F)(F)F ZINC000183405780 432290481 /nfs/dbraw/zinc/29/04/81/432290481.db2.gz SLKCUMSJGGXORK-AWEZNQCLSA-N 1 2 313.323 3.305 10 0 DGAELO CCn1cc([C@@H]2C[N@H+](C/C(C)=C/c3ccccc3)CCO2)cn1 ZINC000191699085 432291312 /nfs/dbraw/zinc/29/13/12/432291312.db2.gz CUGGWAYCRPAMGL-SKTWIKFTSA-N 1 2 311.429 3.380 10 0 DGAELO CCn1cc([C@@H]2C[N@@H+](C/C(C)=C/c3ccccc3)CCO2)cn1 ZINC000191699085 432291315 /nfs/dbraw/zinc/29/13/15/432291315.db2.gz CUGGWAYCRPAMGL-SKTWIKFTSA-N 1 2 311.429 3.380 10 0 DGAELO C[C@H]1C[C@H](C(=O)NCc2ccc[nH+]c2N(C)C)CC(C)(C)C1 ZINC000183537471 432301792 /nfs/dbraw/zinc/30/17/92/432301792.db2.gz RLOKNZTUKISDEB-ZFWWWQNUSA-N 1 2 303.450 3.226 10 0 DGAELO Cc1ccc(C[N@H+](C)CC(=O)N2CCC[C@H]3CCCC[C@H]32)o1 ZINC000248076236 432267481 /nfs/dbraw/zinc/26/74/81/432267481.db2.gz BXIPMYSVGUDNME-NVXWUHKLSA-N 1 2 304.434 3.201 10 0 DGAELO Cc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@H]3CCCC[C@H]32)o1 ZINC000248076236 432267485 /nfs/dbraw/zinc/26/74/85/432267485.db2.gz BXIPMYSVGUDNME-NVXWUHKLSA-N 1 2 304.434 3.201 10 0 DGAELO C[N@H+](Cc1cocn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000191933261 432316267 /nfs/dbraw/zinc/31/62/67/432316267.db2.gz YXDOGCYDLBRNJJ-KBPBESRZSA-N 1 2 313.184 3.072 10 0 DGAELO C[N@@H+](Cc1cocn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000191933261 432316272 /nfs/dbraw/zinc/31/62/72/432316272.db2.gz YXDOGCYDLBRNJJ-KBPBESRZSA-N 1 2 313.184 3.072 10 0 DGAELO Fc1ccc(C[N@H+](CCc2ccccn2)Cc2cocn2)cc1 ZINC000191939908 432317076 /nfs/dbraw/zinc/31/70/76/432317076.db2.gz ZLGDWOSICXKTPV-UHFFFAOYSA-N 1 2 311.360 3.454 10 0 DGAELO Fc1ccc(C[N@@H+](CCc2ccccn2)Cc2cocn2)cc1 ZINC000191939908 432317078 /nfs/dbraw/zinc/31/70/78/432317078.db2.gz ZLGDWOSICXKTPV-UHFFFAOYSA-N 1 2 311.360 3.454 10 0 DGAELO C=Cn1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cn1 ZINC000248822474 432320553 /nfs/dbraw/zinc/32/05/53/432320553.db2.gz FIECLVVNJCXHAB-GUYCJALGSA-N 1 2 301.365 3.085 10 0 DGAELO C=Cn1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cn1 ZINC000248822474 432320558 /nfs/dbraw/zinc/32/05/58/432320558.db2.gz FIECLVVNJCXHAB-GUYCJALGSA-N 1 2 301.365 3.085 10 0 DGAELO CC[C@@H](C(=O)OC(C)(C)C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000192012175 432323070 /nfs/dbraw/zinc/32/30/70/432323070.db2.gz RJAYPMWJKJLZBG-AWEZNQCLSA-N 1 2 321.465 3.022 10 0 DGAELO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249740299 432355272 /nfs/dbraw/zinc/35/52/72/432355272.db2.gz IBGWNCVMUFAGND-IEBWSBKVSA-N 1 2 317.429 3.431 10 0 DGAELO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249740299 432355277 /nfs/dbraw/zinc/35/52/77/432355277.db2.gz IBGWNCVMUFAGND-IEBWSBKVSA-N 1 2 317.429 3.431 10 0 DGAELO CC[C@H]1CC[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000249006314 432332839 /nfs/dbraw/zinc/33/28/39/432332839.db2.gz UJRFQKHZCHYTHX-SHTZXODSSA-N 1 2 312.417 3.100 10 0 DGAELO O[C@@H](CC1CCCC1)C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000249069191 432336292 /nfs/dbraw/zinc/33/62/92/432336292.db2.gz KQHCUPSRWCCQNX-MAUKXSAKSA-N 1 2 307.409 3.140 10 0 DGAELO O[C@@H](CC1CCCC1)C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000249069191 432336298 /nfs/dbraw/zinc/33/62/98/432336298.db2.gz KQHCUPSRWCCQNX-MAUKXSAKSA-N 1 2 307.409 3.140 10 0 DGAELO C/C=C(\CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249122803 432340243 /nfs/dbraw/zinc/34/02/43/432340243.db2.gz SZPBXOOXHAGAJC-CQLPHANFSA-N 1 2 308.372 3.183 10 0 DGAELO C/C=C(\CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249122803 432340247 /nfs/dbraw/zinc/34/02/47/432340247.db2.gz SZPBXOOXHAGAJC-CQLPHANFSA-N 1 2 308.372 3.183 10 0 DGAELO CC(C)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000184000473 432344508 /nfs/dbraw/zinc/34/45/08/432344508.db2.gz DQFJUEGSVQRVMM-LBPRGKRZSA-N 1 2 301.365 3.347 10 0 DGAELO CCc1nc(C[N@H+]2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)cs1 ZINC000249707879 432355604 /nfs/dbraw/zinc/35/56/04/432355604.db2.gz BUKQNRJKNZNUIR-XBFCOCLRSA-N 1 2 308.447 3.012 10 0 DGAELO CCc1nc(C[N@@H+]2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)cs1 ZINC000249707879 432355608 /nfs/dbraw/zinc/35/56/08/432355608.db2.gz BUKQNRJKNZNUIR-XBFCOCLRSA-N 1 2 308.447 3.012 10 0 DGAELO Cc1ncsc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173929770 432307990 /nfs/dbraw/zinc/30/79/90/432307990.db2.gz GYYGQFXAQYSBTL-NSHDSACASA-N 1 2 312.398 3.128 10 0 DGAELO Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)n1 ZINC000173913424 432308064 /nfs/dbraw/zinc/30/80/64/432308064.db2.gz LLQBCBFJEGPAMN-CQSZACIVSA-N 1 2 320.396 3.375 10 0 DGAELO Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000191838230 432308217 /nfs/dbraw/zinc/30/82/17/432308217.db2.gz NXSDVMMHIDWTOM-CYBMUJFWSA-N 1 2 303.793 3.150 10 0 DGAELO COc1cccc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173938363 432309942 /nfs/dbraw/zinc/30/99/42/432309942.db2.gz URRGPPYVASAQKB-AWEZNQCLSA-N 1 2 321.380 3.372 10 0 DGAELO COc1ccc(OC)c(C[N@H+](Cc2cocn2)C(C)(C)C)c1 ZINC000191926857 432314897 /nfs/dbraw/zinc/31/48/97/432314897.db2.gz ORCWZTSTIHCJIU-UHFFFAOYSA-N 1 2 304.390 3.493 10 0 DGAELO COc1ccc(OC)c(C[N@@H+](Cc2cocn2)C(C)(C)C)c1 ZINC000191926857 432314900 /nfs/dbraw/zinc/31/49/00/432314900.db2.gz ORCWZTSTIHCJIU-UHFFFAOYSA-N 1 2 304.390 3.493 10 0 DGAELO CCCn1cc(CNc2[nH+]c3cccc(Cl)c3n2C)cn1 ZINC000184310179 432379110 /nfs/dbraw/zinc/37/91/10/432379110.db2.gz MYVYXDZAUCFDEL-UHFFFAOYSA-N 1 2 303.797 3.445 10 0 DGAELO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]1C1CCCC1 ZINC000271359951 432380967 /nfs/dbraw/zinc/38/09/67/432380967.db2.gz YFNHTFWUFTYLDX-KRWDZBQOSA-N 1 2 310.401 3.062 10 0 DGAELO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000184396296 432387906 /nfs/dbraw/zinc/38/79/06/432387906.db2.gz DUYIEYYFBJWODS-JSGCOSHPSA-N 1 2 315.335 3.483 10 0 DGAELO COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000184396296 432387909 /nfs/dbraw/zinc/38/79/09/432387909.db2.gz DUYIEYYFBJWODS-JSGCOSHPSA-N 1 2 315.335 3.483 10 0 DGAELO CSCCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000192580409 432388719 /nfs/dbraw/zinc/38/87/19/432388719.db2.gz CUZSDKNJBBGAEJ-NSHDSACASA-N 1 2 313.492 3.067 10 0 DGAELO CSCCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000192580409 432388724 /nfs/dbraw/zinc/38/87/24/432388724.db2.gz CUZSDKNJBBGAEJ-NSHDSACASA-N 1 2 313.492 3.067 10 0 DGAELO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ncc(Br)s1 ZINC000271440117 432395407 /nfs/dbraw/zinc/39/54/07/432395407.db2.gz FCSDYLFOCPVTJA-NKWVEPMBSA-N 1 2 301.213 3.041 10 0 DGAELO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1F ZINC000175122526 432401232 /nfs/dbraw/zinc/40/12/32/432401232.db2.gz UJKVEYSLBMAEDB-KRWDZBQOSA-N 1 2 315.392 3.330 10 0 DGAELO Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1F ZINC000175122526 432401236 /nfs/dbraw/zinc/40/12/36/432401236.db2.gz UJKVEYSLBMAEDB-KRWDZBQOSA-N 1 2 315.392 3.330 10 0 DGAELO CC(C)c1nc(N[C@H](C)c2cn(-c3ccccc3)nn2)cc[nH+]1 ZINC000153352067 432402513 /nfs/dbraw/zinc/40/25/13/432402513.db2.gz DHSLNVHETYHAFY-CYBMUJFWSA-N 1 2 308.389 3.354 10 0 DGAELO CC[N@H+](Cc1cnn(C)c1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000175152872 432404264 /nfs/dbraw/zinc/40/42/64/432404264.db2.gz HTVSJUPVWOMVGX-UHFFFAOYSA-N 1 2 314.364 3.236 10 0 DGAELO CC[N@@H+](Cc1cnn(C)c1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000175152872 432404266 /nfs/dbraw/zinc/40/42/66/432404266.db2.gz HTVSJUPVWOMVGX-UHFFFAOYSA-N 1 2 314.364 3.236 10 0 DGAELO C[C@@H]1CC[N@H+](Cc2nnc(C3CC3)n2C)[C@@H]1c1cccc(F)c1 ZINC000175150738 432404428 /nfs/dbraw/zinc/40/44/28/432404428.db2.gz AEBUVPVPFSRDNS-PXAZEXFGSA-N 1 2 314.408 3.415 10 0 DGAELO C[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)n2C)[C@@H]1c1cccc(F)c1 ZINC000175150738 432404432 /nfs/dbraw/zinc/40/44/32/432404432.db2.gz AEBUVPVPFSRDNS-PXAZEXFGSA-N 1 2 314.408 3.415 10 0 DGAELO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C)cc(=O)[nH]2)cc1F ZINC000192723370 432405513 /nfs/dbraw/zinc/40/55/13/432405513.db2.gz PBIDMDBGLRYPKF-MNOVXSKESA-N 1 2 305.353 3.050 10 0 DGAELO Cc1n[nH]cc1CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000152876336 432365233 /nfs/dbraw/zinc/36/52/33/432365233.db2.gz LLJWNMLLWVVRRF-CQSZACIVSA-N 1 2 318.852 3.250 10 0 DGAELO 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312.369 3.485 10 0 DGAELO Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc(C)[nH+]c3C)C2)c1 ZINC000176718278 432545856 /nfs/dbraw/zinc/54/58/56/432545856.db2.gz DAZZLVMHNVOKMW-HNNXBMFYSA-N 1 2 313.405 3.072 10 0 DGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[C@@H]1CCC[C@@H]1C)C2 ZINC000185947334 432547312 /nfs/dbraw/zinc/54/73/12/432547312.db2.gz CCWWCXPEQPGHNC-KBPBESRZSA-N 1 2 303.450 3.255 10 0 DGAELO Cc1nc(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc[nH+]1 ZINC000176741882 432548197 /nfs/dbraw/zinc/54/81/97/432548197.db2.gz NGGFHFQVWNPBDL-AWEZNQCLSA-N 1 2 323.318 3.382 10 0 DGAELO O=C(CCc1ccccc1O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000195174873 432610242 /nfs/dbraw/zinc/61/02/42/432610242.db2.gz IVSKGWNUNPUSRC-UHFFFAOYSA-N 1 2 307.353 3.354 10 0 DGAELO Cc1c(Cl)cccc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000194686278 432569268 /nfs/dbraw/zinc/56/92/68/432569268.db2.gz FUAFKDWXDBHLMZ-UHFFFAOYSA-N 1 2 305.809 3.431 10 0 DGAELO C[C@H]1COCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000194782181 432576747 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CCn1c(C)nnc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000195088418 432601582 /nfs/dbraw/zinc/60/15/82/432601582.db2.gz QHBWQVTUGNGLLS-UHFFFAOYSA-N 1 2 312.339 3.257 10 0 DGAELO CCn1c(C)nnc1C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000195088418 432601584 /nfs/dbraw/zinc/60/15/84/432601584.db2.gz QHBWQVTUGNGLLS-UHFFFAOYSA-N 1 2 312.339 3.257 10 0 DGAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)c1ccc(Cl)cc1 ZINC000177509106 432632334 /nfs/dbraw/zinc/63/23/34/432632334.db2.gz GPSLOCYEFIXXQU-LLVKDONJSA-N 1 2 312.822 3.232 10 0 DGAELO O=C(NCCCCC1CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177579695 432639394 /nfs/dbraw/zinc/63/93/94/432639394.db2.gz KEYLFNJFZZHZBA-QGZVFWFLSA-N 1 2 318.465 3.418 10 0 DGAELO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(C)n2CC)C1(C)C ZINC000177737921 432655323 /nfs/dbraw/zinc/65/53/23/432655323.db2.gz MXWOLPIZPQBPDK-CABCVRRESA-N 1 2 308.470 3.022 10 0 DGAELO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(C)n2CC)C1(C)C ZINC000177737921 432655324 /nfs/dbraw/zinc/65/53/24/432655324.db2.gz 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CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C)nc1C ZINC000192248830 432349596 /nfs/dbraw/zinc/34/95/96/432349596.db2.gz MEZKGHIILUCWOU-UHFFFAOYSA-N 1 2 314.433 3.010 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)c1cccc(F)c1 ZINC000173907896 432306034 /nfs/dbraw/zinc/30/60/34/432306034.db2.gz LFJPFYCTFWRCAK-ZDUSSCGKSA-N 1 2 303.381 3.098 10 0 DGAELO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000183623920 432310672 /nfs/dbraw/zinc/31/06/72/432310672.db2.gz LUHVEJBZNOLXIU-CZUORRHYSA-N 1 2 309.369 3.121 10 0 DGAELO Cc1ccccc1-c1noc([C@H](C)[NH2+][C@H](CO)c2ccccc2)n1 ZINC000183642301 432312691 /nfs/dbraw/zinc/31/26/91/432312691.db2.gz ATGSGETYKYQJRM-WMLDXEAASA-N 1 2 323.396 3.429 10 0 DGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1C(C)(C)C1(C)C)C2 ZINC000174816766 432372656 /nfs/dbraw/zinc/37/26/56/432372656.db2.gz CTJXERQCPIBIQK-UHFFFAOYSA-N 1 2 303.450 3.110 10 0 DGAELO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000184415050 432389163 /nfs/dbraw/zinc/38/91/63/432389163.db2.gz AVAQQMKGRYGUOO-CABCVRRESA-N 1 2 307.401 3.383 10 0 DGAELO CC1(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCC1 ZINC000175111601 432399126 /nfs/dbraw/zinc/39/91/26/432399126.db2.gz GYUFTPGJAACNCM-INIZCTEOSA-N 1 2 318.486 3.083 10 0 DGAELO CC(C)c1nc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000249869360 432360847 /nfs/dbraw/zinc/36/08/47/432360847.db2.gz JCYCYQVMMMLGFI-HUUCEWRRSA-N 1 2 319.380 3.203 10 0 DGAELO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000249869360 432360850 /nfs/dbraw/zinc/36/08/50/432360850.db2.gz JCYCYQVMMMLGFI-HUUCEWRRSA-N 1 2 319.380 3.203 10 0 DGAELO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271295721 432369275 /nfs/dbraw/zinc/36/92/75/432369275.db2.gz DBJKLDMHWIUIFJ-CKEIUWERSA-N 1 2 310.401 3.061 10 0 DGAELO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271295729 432369496 /nfs/dbraw/zinc/36/94/96/432369496.db2.gz DBJKLDMHWIUIFJ-KEYYUXOJSA-N 1 2 310.401 3.061 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ncc(C(C)C)s1 ZINC000192394480 432369599 /nfs/dbraw/zinc/36/95/99/432369599.db2.gz NGQIAOGCRXHPAR-UHFFFAOYSA-N 1 2 321.450 3.441 10 0 DGAELO COCc1ccc(CNc2[nH+]c3c(cccc3OC)n2C)cc1 ZINC000184794052 432433275 /nfs/dbraw/zinc/43/32/75/432433275.db2.gz JMWUDPGCVSXODZ-UHFFFAOYSA-N 1 2 311.385 3.340 10 0 DGAELO COc1cccc2c1[nH+]c(NCc1ccc(OC)c(F)c1)n2C ZINC000184792393 432434012 /nfs/dbraw/zinc/43/40/12/432434012.db2.gz FXPPFYPVCBYJNR-UHFFFAOYSA-N 1 2 315.348 3.342 10 0 DGAELO CC[C@@H](C)C[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175584613 432450137 /nfs/dbraw/zinc/45/01/37/432450137.db2.gz BSDAVJHLKDOMQI-HUUCEWRRSA-N 1 2 318.465 3.174 10 0 DGAELO CC[C@H](C)C[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175584635 432450519 /nfs/dbraw/zinc/45/05/19/432450519.db2.gz BSDAVJHLKDOMQI-LSDHHAIUSA-N 1 2 318.465 3.174 10 0 DGAELO CCCC[C@@H](CCC)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000175605574 432451753 /nfs/dbraw/zinc/45/17/53/432451753.db2.gz KEDIRTRHEJMJCK-OAHLLOKOSA-N 1 2 306.454 3.306 10 0 DGAELO O[C@H](C[NH+]1CCC(c2ccn[nH]2)CC1)c1ccc(F)cc1Cl ZINC000184989242 432454629 /nfs/dbraw/zinc/45/46/29/432454629.db2.gz MVNUZKFJYAPJRS-MRXNPFEDSA-N 1 2 323.799 3.115 10 0 DGAELO Cc1cccc([C@H]([NH2+]Cc2nc(N(C)C)no2)C(C)(C)C)c1 ZINC000192784757 432413816 /nfs/dbraw/zinc/41/38/16/432413816.db2.gz BCEZZYSDKIOZSH-HNNXBMFYSA-N 1 2 302.422 3.321 10 0 DGAELO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)CC(C)C ZINC000185396840 432497174 /nfs/dbraw/zinc/49/71/74/432497174.db2.gz GLVFTXCGHSLQGV-MRXNPFEDSA-N 1 2 318.461 3.448 10 0 DGAELO Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000185424993 432498843 /nfs/dbraw/zinc/49/88/43/432498843.db2.gz SCZPXBZCKLVNJL-HOTGVXAUSA-N 1 2 310.401 3.217 10 0 DGAELO O=C(Nc1cccc2cccnc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176343248 432513039 /nfs/dbraw/zinc/51/30/39/432513039.db2.gz KEXYDKGLQFUYFM-OAHLLOKOSA-N 1 2 321.384 3.128 10 0 DGAELO CCn1c(C[NH2+][C@H](CCO)c2ccco2)nc2cc(F)ccc21 ZINC000185068848 432463985 /nfs/dbraw/zinc/46/39/85/432463985.db2.gz VDBGDTGDYRZIMS-CYBMUJFWSA-N 1 2 317.364 3.002 10 0 DGAELO OCC[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccco1 ZINC000185085229 432464779 /nfs/dbraw/zinc/46/47/79/432464779.db2.gz MEMAUSCAXHOIQS-HNNXBMFYSA-N 1 2 316.332 3.287 10 0 DGAELO CCn1cc[nH+]c1C[S@](=O)Cc1ncc(Cl)cc1Cl ZINC000185092205 432466010 /nfs/dbraw/zinc/46/60/10/432466010.db2.gz IULUNSMNOODGRM-LJQANCHMSA-N 1 2 318.229 3.054 10 0 DGAELO COc1cc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)ccc1F ZINC000154054254 432469204 /nfs/dbraw/zinc/46/92/04/432469204.db2.gz TWLHEGRTZLGGOT-NWDGAFQWSA-N 1 2 318.396 3.174 10 0 DGAELO C[C@H](NC(=O)NCC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175839721 432469875 /nfs/dbraw/zinc/46/98/75/432469875.db2.gz QPFCKYDZSYVOME-ZDUSSCGKSA-N 1 2 300.406 3.279 10 0 DGAELO CNc1[nH+]cnc2c1cnn2Cc1csc(C2CCCC2)n1 ZINC000194418768 432549700 /nfs/dbraw/zinc/54/97/00/432549700.db2.gz ZVUSYSZDHRCUMX-UHFFFAOYSA-N 1 2 314.418 3.030 10 0 DGAELO COc1ccccc1[C@H](O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000176790725 432553426 /nfs/dbraw/zinc/55/34/26/432553426.db2.gz ALUXONGFVFWNMV-GFCCVEGCSA-N 1 2 312.291 3.255 10 0 DGAELO Fc1ccc(-c2ccc(C[NH2+][C@H]3CCCn4ncnc43)o2)cc1 ZINC000176800733 432554386 /nfs/dbraw/zinc/55/43/86/432554386.db2.gz GQIKDPHETWNOIV-HNNXBMFYSA-N 1 2 312.348 3.302 10 0 DGAELO CCCCc1noc([C@@H](C)[S@@](=O)Cc2[nH+]ccn2C(C)C)n1 ZINC000176843151 432558532 /nfs/dbraw/zinc/55/85/32/432558532.db2.gz KGIOGTZWDBIUNU-IPQOISQHSA-N 1 2 324.450 3.200 10 0 DGAELO Cc1cc(C[N@@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)no1 ZINC000176873846 432561611 /nfs/dbraw/zinc/56/16/11/432561611.db2.gz YIDPNWHRKRDDST-UHFFFAOYSA-N 1 2 319.430 3.389 10 0 DGAELO Cc1cc(C[N@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)no1 ZINC000176873846 432561616 /nfs/dbraw/zinc/56/16/16/432561616.db2.gz YIDPNWHRKRDDST-UHFFFAOYSA-N 1 2 319.430 3.389 10 0 DGAELO CC[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[C@H]1c1ccccc1 ZINC000263036728 432515278 /nfs/dbraw/zinc/51/52/78/432515278.db2.gz SIZWTIGMUUFDPJ-BMFZPTHFSA-N 1 2 322.399 3.026 10 0 DGAELO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)OC(C)(C)C ZINC000177335402 432611832 /nfs/dbraw/zinc/61/18/32/432611832.db2.gz BEFLMUQQVVYIRB-UONOGXRCSA-N 1 2 315.417 3.253 10 0 DGAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177007234 432574499 /nfs/dbraw/zinc/57/44/99/432574499.db2.gz YXPIPAYJMAWEQI-BETUJISGSA-N 1 2 308.447 3.070 10 0 DGAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177007234 432574502 /nfs/dbraw/zinc/57/45/02/432574502.db2.gz YXPIPAYJMAWEQI-BETUJISGSA-N 1 2 308.447 3.070 10 0 DGAELO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1nc(C(F)(F)F)cs1)CC2 ZINC000155794259 432575252 /nfs/dbraw/zinc/57/52/52/432575252.db2.gz GFCNCXQVESLEGO-ZWNOBZJWSA-N 1 2 320.380 3.289 10 0 DGAELO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1nc(C(F)(F)F)cs1)CC2 ZINC000155794259 432575256 /nfs/dbraw/zinc/57/52/56/432575256.db2.gz GFCNCXQVESLEGO-ZWNOBZJWSA-N 1 2 320.380 3.289 10 0 DGAELO Cn1c[nH+]cc1CN1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000177068824 432581994 /nfs/dbraw/zinc/58/19/94/432581994.db2.gz BRESPSRGZBKPGC-MRXNPFEDSA-N 1 2 319.836 3.426 10 0 DGAELO CCO[C@H]1C[C@H]([NH2+]c2ccc3c(c2)CCCO3)C12CCOCC2 ZINC000186485126 432600057 /nfs/dbraw/zinc/60/00/57/432600057.db2.gz FMZJVWHBZKRZNJ-ROUUACIJSA-N 1 2 317.429 3.398 10 0 DGAELO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000195075326 432600536 /nfs/dbraw/zinc/60/05/36/432600536.db2.gz XDVJVDQYXTWLEK-ZDUSSCGKSA-N 1 2 302.447 3.263 10 0 DGAELO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000195075326 432600541 /nfs/dbraw/zinc/60/05/41/432600541.db2.gz XDVJVDQYXTWLEK-ZDUSSCGKSA-N 1 2 302.447 3.263 10 0 DGAELO Fc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157604071 432623962 /nfs/dbraw/zinc/62/39/62/432623962.db2.gz LXUUAYZMHHHNHY-OAHLLOKOSA-N 1 2 307.390 3.340 10 0 DGAELO Fc1ccc(OCC[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157604071 432623966 /nfs/dbraw/zinc/62/39/66/432623966.db2.gz LXUUAYZMHHHNHY-OAHLLOKOSA-N 1 2 307.390 3.340 10 0 DGAELO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000195513969 432627242 /nfs/dbraw/zinc/62/72/42/432627242.db2.gz MQWXDNYIHBJDGQ-KRWDZBQOSA-N 1 2 321.428 3.158 10 0 DGAELO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000195513969 432627247 /nfs/dbraw/zinc/62/72/47/432627247.db2.gz MQWXDNYIHBJDGQ-KRWDZBQOSA-N 1 2 321.428 3.158 10 0 DGAELO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000177674856 432648524 /nfs/dbraw/zinc/64/85/24/432648524.db2.gz USRYJRHVZMODAS-LLVKDONJSA-N 1 2 300.805 3.166 10 0 DGAELO C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177534368 432634615 /nfs/dbraw/zinc/63/46/15/432634615.db2.gz CDXDOAXGLBXHDX-LSDHHAIUSA-N 1 2 306.454 3.272 10 0 DGAELO C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C1CCCCC1 ZINC000177557881 432636108 /nfs/dbraw/zinc/63/61/08/432636108.db2.gz QFRKXFPJPFJCOV-GOEBONIOSA-N 1 2 304.438 3.026 10 0 DGAELO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000177674856 432648521 /nfs/dbraw/zinc/64/85/21/432648521.db2.gz USRYJRHVZMODAS-LLVKDONJSA-N 1 2 300.805 3.166 10 0 DGAELO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177637691 432645810 /nfs/dbraw/zinc/64/58/10/432645810.db2.gz HNAWIWRTSKNJRV-UKRRQHHQSA-N 1 2 323.868 3.204 10 0 DGAELO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177637691 432645813 /nfs/dbraw/zinc/64/58/13/432645813.db2.gz HNAWIWRTSKNJRV-UKRRQHHQSA-N 1 2 323.868 3.204 10 0 DGAELO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(C(C)C)n2C)C1(C)C ZINC000177740665 432655155 /nfs/dbraw/zinc/65/51/55/432655155.db2.gz TWUXWUDCTDJHSJ-GJZGRUSLSA-N 1 2 322.497 3.354 10 0 DGAELO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(C(C)C)n2C)C1(C)C ZINC000177740665 432655156 /nfs/dbraw/zinc/65/51/56/432655156.db2.gz TWUXWUDCTDJHSJ-GJZGRUSLSA-N 1 2 322.497 3.354 10 0 DGAELO CC(C)(C)C1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177766330 432659160 /nfs/dbraw/zinc/65/91/60/432659160.db2.gz ZPOXJBOVZLRYIT-UHFFFAOYSA-N 1 2 314.433 3.302 10 0 DGAELO C[C@@H]1CCN(C(=O)NCCC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000177763755 432659482 /nfs/dbraw/zinc/65/94/82/432659482.db2.gz 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ZINC000189101833 432762948 /nfs/dbraw/zinc/76/29/48/432762948.db2.gz RYARUUWRQOWTCV-JTQLQIEISA-N 1 2 308.834 3.265 10 0 DGAELO C[C@H]1C(=O)NCCC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000189101833 432762951 /nfs/dbraw/zinc/76/29/51/432762951.db2.gz RYARUUWRQOWTCV-JTQLQIEISA-N 1 2 308.834 3.265 10 0 DGAELO O=C(CCc1c[nH+]c[nH]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000188482773 432726796 /nfs/dbraw/zinc/72/67/96/432726796.db2.gz TZVYDNMWWMFKNY-MRXNPFEDSA-N 1 2 303.793 3.263 10 0 DGAELO O=C(CCc1c[nH]c[nH+]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000188482773 432726800 /nfs/dbraw/zinc/72/68/00/432726800.db2.gz TZVYDNMWWMFKNY-MRXNPFEDSA-N 1 2 303.793 3.263 10 0 DGAELO CCc1ncnc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)c1F ZINC000275626841 432735490 /nfs/dbraw/zinc/73/54/90/432735490.db2.gz MSIHCCWPGYIFCY-AWEZNQCLSA-N 1 2 315.396 3.122 10 0 DGAELO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000188763803 432744093 /nfs/dbraw/zinc/74/40/93/432744093.db2.gz FZSUINASEGLQHA-STQMWFEESA-N 1 2 310.401 3.389 10 0 DGAELO 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CCn1nncc1C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000459373877 434571807 /nfs/dbraw/zinc/57/18/07/434571807.db2.gz KPKLHWKUCYDEJC-GFCCVEGCSA-N 1 2 307.467 3.379 10 0 DGAELO CCn1nncc1C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000459373877 434571815 /nfs/dbraw/zinc/57/18/15/434571815.db2.gz KPKLHWKUCYDEJC-GFCCVEGCSA-N 1 2 307.467 3.379 10 0 DGAELO COCCC1(C)C[NH+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000459642789 434643863 /nfs/dbraw/zinc/64/38/63/434643863.db2.gz ZTHWQSFAEOTZIA-UHFFFAOYSA-N 1 2 306.431 3.163 10 0 DGAELO CC(=Cc1cccc(Cl)c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371457121 434706918 /nfs/dbraw/zinc/70/69/18/434706918.db2.gz NQGFJDONHSMMOE-OIOXUXFSSA-N 1 2 315.804 3.140 10 0 DGAELO CC(=Cc1cccc(Cl)c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371457121 434706922 /nfs/dbraw/zinc/70/69/22/434706922.db2.gz NQGFJDONHSMMOE-OIOXUXFSSA-N 1 2 315.804 3.140 10 0 DGAELO C[C@H](c1ccc(Oc2ccccc2)cc1)[N@H+](C)Cc1nnnn1C ZINC000445438214 434799791 /nfs/dbraw/zinc/79/97/91/434799791.db2.gz OVXZKUNLLRWRRJ-CQSZACIVSA-N 1 2 323.400 3.195 10 0 DGAELO C[C@H](c1ccc(Oc2ccccc2)cc1)[N@@H+](C)Cc1nnnn1C ZINC000445438214 434799793 /nfs/dbraw/zinc/79/97/93/434799793.db2.gz OVXZKUNLLRWRRJ-CQSZACIVSA-N 1 2 323.400 3.195 10 0 DGAELO C[C@H](NC(=O)/C=C\c1ccc[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000491972358 434892478 /nfs/dbraw/zinc/89/24/78/434892478.db2.gz KJEPGKNOSVRHCT-DANTVBBOSA-N 1 2 306.369 3.091 10 0 DGAELO C[C@H]1CCCN(c2cc(N(C)CCc3ccccc3)[nH+]cn2)C1 ZINC000521935847 434901111 /nfs/dbraw/zinc/90/11/11/434901111.db2.gz HTNWILOXTTWBNW-INIZCTEOSA-N 1 2 310.445 3.392 10 0 DGAELO C[C@H]1CCCN(c2cc(N(C)CCc3ccccc3)nc[nH+]2)C1 ZINC000521935847 434901114 /nfs/dbraw/zinc/90/11/14/434901114.db2.gz HTNWILOXTTWBNW-INIZCTEOSA-N 1 2 310.445 3.392 10 0 DGAELO C(c1nc(C2CCCC2)no1)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000573610739 434913062 /nfs/dbraw/zinc/91/30/62/434913062.db2.gz QOOKMMRKRGYJFV-ZBFHGGJFSA-N 1 2 317.433 3.261 10 0 DGAELO C(c1nc(C2CCCC2)no1)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000573610739 434913064 /nfs/dbraw/zinc/91/30/64/434913064.db2.gz QOOKMMRKRGYJFV-ZBFHGGJFSA-N 1 2 317.433 3.261 10 0 DGAELO Fc1ccc(OCC[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000464838440 435007334 /nfs/dbraw/zinc/00/73/34/435007334.db2.gz ZPKBDNJTODARDM-SFHVURJKSA-N 1 2 301.361 3.278 10 0 DGAELO Fc1ccc(OCC[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000464838440 435007339 /nfs/dbraw/zinc/00/73/39/435007339.db2.gz ZPKBDNJTODARDM-SFHVURJKSA-N 1 2 301.361 3.278 10 0 DGAELO COC(=O)C[C@@H]1CC[C@@H]([NH2+]c2ccc(-n3cccn3)cc2)[C@@H]1C ZINC000474466402 435147109 /nfs/dbraw/zinc/14/71/09/435147109.db2.gz FEYFSJQOZSTKAW-JKIFEVAISA-N 1 2 313.401 3.262 10 0 DGAELO O=C(NC1(c2ccccc2)CCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000532763840 435191546 /nfs/dbraw/zinc/19/15/46/435191546.db2.gz SBJYTIQVGCFWAK-INIZCTEOSA-N 1 2 323.440 3.421 10 0 DGAELO Oc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C3CC3)s1)CCC2 ZINC000580168172 435209983 /nfs/dbraw/zinc/20/99/83/435209983.db2.gz ALHBSIILRMUNEB-CQSZACIVSA-N 1 2 301.415 3.288 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000533482709 435240092 /nfs/dbraw/zinc/24/00/92/435240092.db2.gz HDXNSJZMASYAPR-GJZGRUSLSA-N 1 2 305.422 3.118 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000533482709 435240098 /nfs/dbraw/zinc/24/00/98/435240098.db2.gz HDXNSJZMASYAPR-GJZGRUSLSA-N 1 2 305.422 3.118 10 0 DGAELO FC(F)(F)CO[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000535566848 435335816 /nfs/dbraw/zinc/33/58/16/435335816.db2.gz KSTTYVMOWUVNKT-NSHDSACASA-N 1 2 304.312 3.095 10 0 DGAELO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000535566848 435335819 /nfs/dbraw/zinc/33/58/19/435335819.db2.gz KSTTYVMOWUVNKT-NSHDSACASA-N 1 2 304.312 3.095 10 0 DGAELO COC(=O)[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000513432717 435388682 /nfs/dbraw/zinc/38/86/82/435388682.db2.gz SXYBBVRVYIXBBS-ZANVPECISA-N 1 2 317.307 3.187 10 0 DGAELO c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@]4(CCOC4)C3)c21 ZINC000568715181 435464353 /nfs/dbraw/zinc/46/43/53/435464353.db2.gz MTWDFMAWWROGGE-SFHVURJKSA-N 1 2 308.385 3.118 10 0 DGAELO Brc1cccc(OCC[N@@H+]2Cc3cccnc3C2)c1 ZINC000568503792 435441657 /nfs/dbraw/zinc/44/16/57/435441657.db2.gz UIYGLKSZLSNFNK-UHFFFAOYSA-N 1 2 319.202 3.239 10 0 DGAELO Brc1cccc(OCC[N@H+]2Cc3cccnc3C2)c1 ZINC000568503792 435441664 /nfs/dbraw/zinc/44/16/64/435441664.db2.gz UIYGLKSZLSNFNK-UHFFFAOYSA-N 1 2 319.202 3.239 10 0 DGAELO C(=C\c1ccccc1)\C[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000483437696 435519310 /nfs/dbraw/zinc/51/93/10/435519310.db2.gz IQNOKKKQYYQLIL-SONCPKABSA-N 1 2 309.409 3.480 10 0 DGAELO C(=C\c1ccccc1)\C[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000483437696 435519315 /nfs/dbraw/zinc/51/93/15/435519315.db2.gz IQNOKKKQYYQLIL-SONCPKABSA-N 1 2 309.409 3.480 10 0 DGAELO C(=C/c1ccccc1)\C[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000483437693 435520995 /nfs/dbraw/zinc/52/09/95/435520995.db2.gz IQNOKKKQYYQLIL-JRMCHAMMSA-N 1 2 309.409 3.480 10 0 DGAELO C(=C/c1ccccc1)\C[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000483437693 435521000 /nfs/dbraw/zinc/52/10/00/435521000.db2.gz IQNOKKKQYYQLIL-JRMCHAMMSA-N 1 2 309.409 3.480 10 0 DGAELO c1ccc(-c2n[nH]c(CCNc3ccc4ccccc4[nH+]3)n2)cc1 ZINC000569866261 435568141 /nfs/dbraw/zinc/56/81/41/435568141.db2.gz HWWCQDNJANDLOY-UHFFFAOYSA-N 1 2 315.380 3.675 10 0 DGAELO C[C@H](Cc1nc(C(F)(F)c2ccc(F)cc2)no1)n1cc[nH+]c1 ZINC000570455600 435621486 /nfs/dbraw/zinc/62/14/86/435621486.db2.gz UGAKYHWCLZCCQD-SNVBAGLBSA-N 1 2 322.290 3.349 10 0 DGAELO O=C(Cn1cc[nH+]c1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000518151175 435627762 /nfs/dbraw/zinc/62/77/62/435627762.db2.gz IMBCTDBIGVNSEU-FQEVSTJZSA-N 1 2 317.392 3.057 10 0 DGAELO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754568 435715995 /nfs/dbraw/zinc/71/59/95/435715995.db2.gz ZJBRGPSPCRYUJC-GRYCIOLGSA-N 1 2 314.385 3.445 10 0 DGAELO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754568 435715999 /nfs/dbraw/zinc/71/59/99/435715999.db2.gz ZJBRGPSPCRYUJC-GRYCIOLGSA-N 1 2 314.385 3.445 10 0 DGAELO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(I)cc1 ZINC000549926349 435784324 /nfs/dbraw/zinc/78/43/24/435784324.db2.gz BFOGVDAEJKFGDS-VHSXEESVSA-N 1 2 301.171 3.131 10 0 DGAELO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(I)cc1 ZINC000549926349 435784328 /nfs/dbraw/zinc/78/43/28/435784328.db2.gz BFOGVDAEJKFGDS-VHSXEESVSA-N 1 2 301.171 3.131 10 0 DGAELO c1cc([C@@H]2CCC[N@H+]2Cc2cnc(-c3ccccc3)nc2)n[nH]1 ZINC000551986172 435868473 /nfs/dbraw/zinc/86/84/73/435868473.db2.gz UOFHNRAJBSLAFY-KRWDZBQOSA-N 1 2 305.385 3.204 10 0 DGAELO c1cc([C@@H]2CCC[N@@H+]2Cc2cnc(-c3ccccc3)nc2)n[nH]1 ZINC000551986172 435868479 /nfs/dbraw/zinc/86/84/79/435868479.db2.gz UOFHNRAJBSLAFY-KRWDZBQOSA-N 1 2 305.385 3.204 10 0 DGAELO Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000161911932 301729358 /nfs/dbraw/zinc/72/93/58/301729358.db2.gz ZMCUMFBDJRCHKG-GJZGRUSLSA-N 1 2 313.401 3.101 10 0 DGAELO CC[C@@H]1CC[N@@H+]1Cc1ccc(I)cc1 ZINC000429271716 529333067 /nfs/dbraw/zinc/33/30/67/529333067.db2.gz BJDSOFJBFICTKW-GFCCVEGCSA-N 1 2 301.171 3.276 10 0 DGAELO CC[C@@H]1CC[N@H+]1Cc1ccc(I)cc1 ZINC000429271716 529333068 /nfs/dbraw/zinc/33/30/68/529333068.db2.gz BJDSOFJBFICTKW-GFCCVEGCSA-N 1 2 301.171 3.276 10 0 DGAELO CN(C)c1[nH+]cccc1CNC(=O)C1(Cc2ccccc2)CCC1 ZINC000132861100 312652860 /nfs/dbraw/zinc/65/28/60/312652860.db2.gz INUIYOHSDLXSGI-UHFFFAOYSA-N 1 2 323.440 3.177 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCC(C)(C)C1)C2 ZINC000530290271 313356149 /nfs/dbraw/zinc/35/61/49/313356149.db2.gz KJDMNVWOAPRKCS-CHWSQXEVSA-N 1 2 303.450 3.333 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCC(C)(C)C1)CC2 ZINC000530290271 313356152 /nfs/dbraw/zinc/35/61/52/313356152.db2.gz KJDMNVWOAPRKCS-CHWSQXEVSA-N 1 2 303.450 3.333 10 0 DGAELO Cc1cccn2cc(CC(=O)Nc3cccc4c3OCCC4)[nH+]c12 ZINC000532125348 313520178 /nfs/dbraw/zinc/52/01/78/313520178.db2.gz GXNMSRAQWJJCGS-UHFFFAOYSA-N 1 2 321.380 3.149 10 0 DGAELO CCCCOCC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000538275132 313853605 /nfs/dbraw/zinc/85/36/05/313853605.db2.gz VTGDDCQDZSNFEP-KRWDZBQOSA-N 1 2 305.397 3.055 10 0 DGAELO c1csc(-c2noc(C[NH2+][C@H](c3cccnc3)C3CC3)n2)c1 ZINC000542518679 314082128 /nfs/dbraw/zinc/08/21/28/314082128.db2.gz QTBZHIXNGCOMID-HNNXBMFYSA-N 1 2 312.398 3.434 10 0 DGAELO c1cc(-c2noc(C[NH2+][C@@H](c3cccnc3)C3CC3)n2)cs1 ZINC000543448056 314135271 /nfs/dbraw/zinc/13/52/71/314135271.db2.gz OMTJTLFXCZIUAR-OAHLLOKOSA-N 1 2 312.398 3.434 10 0 DGAELO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000543844169 314161230 /nfs/dbraw/zinc/16/12/30/314161230.db2.gz HFCIHPSEMOIDHJ-BBRMVZONSA-N 1 2 323.820 3.135 10 0 DGAELO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000543844169 314161233 /nfs/dbraw/zinc/16/12/33/314161233.db2.gz HFCIHPSEMOIDHJ-BBRMVZONSA-N 1 2 323.820 3.135 10 0 DGAELO Cc1cccc(C(C)C)c1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547671638 314385520 /nfs/dbraw/zinc/38/55/20/314385520.db2.gz VJXJVKNMNQLEGV-AWEZNQCLSA-N 1 2 312.417 3.451 10 0 DGAELO Cc1csc2nc(C)nc(NCc3cn4c([nH+]3)CCCC4)c12 ZINC000548444615 314447980 /nfs/dbraw/zinc/44/79/80/314447980.db2.gz NLBOBAFETQMYAQ-UHFFFAOYSA-N 1 2 313.430 3.453 10 0 DGAELO c1cnc2c(c1)nccc2NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000549109638 314494817 /nfs/dbraw/zinc/49/48/17/314494817.db2.gz WHKZIDOBRSKLJQ-UHFFFAOYSA-N 1 2 319.412 3.049 10 0 DGAELO Cc1ccc(-c2noc(C[N@@H+]3CCO[C@H](C(C)(C)C)C3)n2)cc1 ZINC000562505316 315025253 /nfs/dbraw/zinc/02/52/53/315025253.db2.gz FYWKKLWNVVUZLM-HNNXBMFYSA-N 1 2 315.417 3.292 10 0 DGAELO Cc1ccc(-c2noc(C[N@H+]3CCO[C@H](C(C)(C)C)C3)n2)cc1 ZINC000562505316 315025256 /nfs/dbraw/zinc/02/52/56/315025256.db2.gz FYWKKLWNVVUZLM-HNNXBMFYSA-N 1 2 315.417 3.292 10 0 DGAELO Clc1cnc(C[NH+]2CCC(C3CCOCC3)CC2)s1 ZINC000577036585 316194432 /nfs/dbraw/zinc/19/44/32/316194432.db2.gz PUANALHZORNUFX-UHFFFAOYSA-N 1 2 300.855 3.435 10 0 DGAELO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000179930741 323217565 /nfs/dbraw/zinc/21/75/65/323217565.db2.gz XTDMWBUIJQPPDH-SNVBAGLBSA-N 1 2 317.320 3.328 10 0 DGAELO Cc1cccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)n1 ZINC000180178472 323223228 /nfs/dbraw/zinc/22/32/28/323223228.db2.gz GLBPASZCAUWWBQ-GOSISDBHSA-N 1 2 310.376 3.142 10 0 DGAELO CC(=O)c1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1Cl ZINC000180593961 323233108 /nfs/dbraw/zinc/23/31/08/323233108.db2.gz ZKFZDAWWLCCTSS-UHFFFAOYSA-N 1 2 313.744 3.443 10 0 DGAELO CC(C)n1nnnc1C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000181630525 323261932 /nfs/dbraw/zinc/26/19/32/323261932.db2.gz RBQRAQFHXRRYKE-OAHLLOKOSA-N 1 2 323.391 3.409 10 0 DGAELO CCC[C@H]([NH2+]Cc1nnnn1C(C)C)c1ccc(F)cc1F ZINC000181681620 323264013 /nfs/dbraw/zinc/26/40/13/323264013.db2.gz KPKKOUFQZPFKKF-AWEZNQCLSA-N 1 2 309.364 3.163 10 0 DGAELO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(F)c1F ZINC000181966463 323277617 /nfs/dbraw/zinc/27/76/17/323277617.db2.gz YWXYRAXBSAWKBK-SECBINFHSA-N 1 2 305.284 3.459 10 0 DGAELO Cc1ccc(C[N@H+](CCO)Cc2nc(C)c3ccccc3n2)cc1 ZINC000181985832 323278025 /nfs/dbraw/zinc/27/80/25/323278025.db2.gz VREJTMBXGFRLBE-UHFFFAOYSA-N 1 2 321.424 3.241 10 0 DGAELO Cc1ccc(C[N@@H+](CCO)Cc2nc(C)c3ccccc3n2)cc1 ZINC000181985832 323278029 /nfs/dbraw/zinc/27/80/29/323278029.db2.gz VREJTMBXGFRLBE-UHFFFAOYSA-N 1 2 321.424 3.241 10 0 DGAELO CCSc1ccc([C@H](C)[NH2+]Cc2nnnn2C(C)C)cc1 ZINC000182136464 323284165 /nfs/dbraw/zinc/28/41/65/323284165.db2.gz JWEYRWXASOSFKV-LBPRGKRZSA-N 1 2 305.451 3.217 10 0 DGAELO CN(C)c1nc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)ns1 ZINC000183208493 323330062 /nfs/dbraw/zinc/33/00/62/323330062.db2.gz PFGWFWCTXPNTJM-OAHLLOKOSA-N 1 2 316.474 3.407 10 0 DGAELO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCSC1 ZINC000183670880 323345375 /nfs/dbraw/zinc/34/53/75/323345375.db2.gz CIKMGAAXXHBUOJ-JKSUJKDBSA-N 1 2 321.486 3.425 10 0 DGAELO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1F)c1nccs1 ZINC000185123550 323381630 /nfs/dbraw/zinc/38/16/30/323381630.db2.gz QXRZAFAIBCNEAM-CYBMUJFWSA-N 1 2 308.378 3.310 10 0 DGAELO c1nnn(Cc2ccccc2)c1CNc1c[nH+]c2c(c1)CCCC2 ZINC000580271655 323977549 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ZINC000179702044 186207245 /nfs/dbraw/zinc/20/72/45/186207245.db2.gz CCOFMWFGMQOGOI-LJQANCHMSA-N 1 2 319.408 3.168 10 0 DGAELO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000179702044 186207247 /nfs/dbraw/zinc/20/72/47/186207247.db2.gz CCOFMWFGMQOGOI-LJQANCHMSA-N 1 2 319.408 3.168 10 0 DGAELO COc1ccccc1N1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000171884637 198001443 /nfs/dbraw/zinc/00/14/43/198001443.db2.gz HNKCIWYBOXGQJS-UHFFFAOYSA-N 1 2 324.428 3.444 10 0 DGAELO CNC(=O)COc1ccc([NH2+]C[C@@H](C)Cc2ccccc2)cc1 ZINC000182048040 199378695 /nfs/dbraw/zinc/37/86/95/199378695.db2.gz FMZVGQSFJSEXIM-HNNXBMFYSA-N 1 2 312.413 3.102 10 0 DGAELO CCc1ccc([C@@H]2CCCCN2c2[nH+]cnc3c2cnn3C)o1 ZINC000173747666 198247186 /nfs/dbraw/zinc/24/71/86/198247186.db2.gz VMCQUEPMEMAEPT-AWEZNQCLSA-N 1 2 311.389 3.250 10 0 DGAELO C[C@H](NC(=O)CCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000173947818 198272058 /nfs/dbraw/zinc/27/20/58/198272058.db2.gz HXNMIVWVDMBWSU-NSHDSACASA-N 1 2 311.307 3.392 10 0 DGAELO Cc1cccc(C(=O)NCc2[nH+]ccn2CC(C)C)c1Cl ZINC000179117298 432042950 /nfs/dbraw/zinc/04/29/50/432042950.db2.gz JYTHSRRUHSMZCR-UHFFFAOYSA-N 1 2 305.809 3.431 10 0 DGAELO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000236808905 202020947 /nfs/dbraw/zinc/02/09/47/202020947.db2.gz VQZNDJAIHFHTEK-UHFFFAOYSA-N 1 2 304.415 3.388 10 0 DGAELO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000073645131 191336315 /nfs/dbraw/zinc/33/63/15/191336315.db2.gz DTRXWICKBJZHQY-YOEHRIQHSA-N 1 2 300.402 3.216 10 0 DGAELO CC(C)(CNC(=O)[C@H]1CCCn2cc[nH+]c21)C1CCCCC1 ZINC000179326112 432053929 /nfs/dbraw/zinc/05/39/29/432053929.db2.gz UOGSHCUETZVLPO-HNNXBMFYSA-N 1 2 303.450 3.483 10 0 DGAELO C[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(Cl)nc1 ZINC000080914299 192200259 /nfs/dbraw/zinc/20/02/59/192200259.db2.gz FTSJAYWGHHUXID-UHFFFAOYSA-N 1 2 321.852 3.100 10 0 DGAELO C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(Cl)nc1 ZINC000080914299 192200261 /nfs/dbraw/zinc/20/02/61/192200261.db2.gz FTSJAYWGHHUXID-UHFFFAOYSA-N 1 2 321.852 3.100 10 0 DGAELO C[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(Cl)nc1 ZINC000080912778 192200866 /nfs/dbraw/zinc/20/08/66/192200866.db2.gz SKQCOHJLPZOESU-UHFFFAOYSA-N 1 2 321.852 3.174 10 0 DGAELO C[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(Cl)nc1 ZINC000080912778 192200868 /nfs/dbraw/zinc/20/08/68/192200868.db2.gz SKQCOHJLPZOESU-UHFFFAOYSA-N 1 2 321.852 3.174 10 0 DGAELO CC[C@H]([NH2+]Cc1nnc(C)n1C1CC1)c1ccc(F)cc1F ZINC000179620419 432064891 /nfs/dbraw/zinc/06/48/91/432064891.db2.gz IUVVWKXRAPAVMO-HNNXBMFYSA-N 1 2 306.360 3.441 10 0 DGAELO CC[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cc(F)ccc1F ZINC000179771313 432070052 /nfs/dbraw/zinc/07/00/52/432070052.db2.gz SYBMKAWIZHUPGE-AWEZNQCLSA-N 1 2 306.360 3.212 10 0 DGAELO CC[C@@H](CSC)N(C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000179776113 432070387 /nfs/dbraw/zinc/07/03/87/432070387.db2.gz JMDXXUQTIVAULF-AWEZNQCLSA-N 1 2 302.447 3.425 10 0 DGAELO COCc1cccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000179231483 199002504 /nfs/dbraw/zinc/00/25/04/199002504.db2.gz LURCWCFQMSQOMD-KRWDZBQOSA-N 1 2 303.427 3.468 10 0 DGAELO COCc1cccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000179231483 199002506 /nfs/dbraw/zinc/00/25/06/199002506.db2.gz LURCWCFQMSQOMD-KRWDZBQOSA-N 1 2 303.427 3.468 10 0 DGAELO CC1(C)CCC[C@@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000179373826 199024556 /nfs/dbraw/zinc/02/45/56/199024556.db2.gz RDDFPDZPGGJLPU-OAHLLOKOSA-N 1 2 312.417 3.100 10 0 DGAELO c1csc(N2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000179954420 432075709 /nfs/dbraw/zinc/07/57/09/432075709.db2.gz PPBRWRDDVLKEGM-UHFFFAOYSA-N 1 2 324.453 3.460 10 0 DGAELO c1csc(N2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)c1 ZINC000179954420 432075711 /nfs/dbraw/zinc/07/57/11/432075711.db2.gz PPBRWRDDVLKEGM-UHFFFAOYSA-N 1 2 324.453 3.460 10 0 DGAELO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170648772 432075791 /nfs/dbraw/zinc/07/57/91/432075791.db2.gz HDUTUVYVFIOVPI-GFCCVEGCSA-N 1 2 320.799 3.152 10 0 DGAELO CC[C@H]([NH2+][C@H]1CCCn2nc(COC)nc21)c1ccccc1F ZINC000180774894 199207985 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Cc1ncc(CN2CC[NH+]([C@@H](C)c3ccccc3F)CC2)s1 ZINC000170941503 432088643 /nfs/dbraw/zinc/08/86/43/432088643.db2.gz UOYZAWPFPRJVEU-ZDUSSCGKSA-N 1 2 319.449 3.469 10 0 DGAELO COc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000170954858 432089061 /nfs/dbraw/zinc/08/90/61/432089061.db2.gz KLXBYKOLUNUBTI-AWEZNQCLSA-N 1 2 310.397 3.253 10 0 DGAELO COc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000170954858 432089063 /nfs/dbraw/zinc/08/90/63/432089063.db2.gz KLXBYKOLUNUBTI-AWEZNQCLSA-N 1 2 310.397 3.253 10 0 DGAELO CCc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000180599758 432091870 /nfs/dbraw/zinc/09/18/70/432091870.db2.gz JEKNRNVDPWWNAL-OAHLLOKOSA-N 1 2 316.380 3.281 10 0 DGAELO Cc1cc(F)cc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000180594665 432092153 /nfs/dbraw/zinc/09/21/53/432092153.db2.gz PLZREOMITPVIQE-HNNXBMFYSA-N 1 2 302.353 3.027 10 0 DGAELO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nccs2)c1 ZINC000134971088 432092632 /nfs/dbraw/zinc/09/26/32/432092632.db2.gz MEZDLONFUWDKON-AWEZNQCLSA-N 1 2 304.415 3.497 10 0 DGAELO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nccs2)c1 ZINC000134971088 432092638 /nfs/dbraw/zinc/09/26/38/432092638.db2.gz MEZDLONFUWDKON-AWEZNQCLSA-N 1 2 304.415 3.497 10 0 DGAELO O=[S@@](CCc1ccccc1)Cc1[nH+]ccn1-c1ccccc1 ZINC000434630845 238220830 /nfs/dbraw/zinc/22/08/30/238220830.db2.gz USQWCHZPCSYGJC-QFIPXVFZSA-N 1 2 310.422 3.364 10 0 DGAELO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nccs2)c1 ZINC000134971111 432093217 /nfs/dbraw/zinc/09/32/17/432093217.db2.gz MEZDLONFUWDKON-CQSZACIVSA-N 1 2 304.415 3.497 10 0 DGAELO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nccs2)c1 ZINC000134971111 432093214 /nfs/dbraw/zinc/09/32/14/432093214.db2.gz MEZDLONFUWDKON-CQSZACIVSA-N 1 2 304.415 3.497 10 0 DGAELO CC(=O)c1ccc(N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)nc1 ZINC000281435524 216296645 /nfs/dbraw/zinc/29/66/45/216296645.db2.gz JRHMGQMEVSUHEK-QGZVFWFLSA-N 1 2 324.428 3.238 10 0 DGAELO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246118121 432097159 /nfs/dbraw/zinc/09/71/59/432097159.db2.gz 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Fc1cc(Cl)c2c(c1)C[N@@H+](CCOCC(F)(F)F)CC2 ZINC000451156872 241026278 /nfs/dbraw/zinc/02/62/78/241026278.db2.gz GIGCHLQMRKAHQU-UHFFFAOYSA-N 1 2 311.706 3.416 10 0 DGAELO Fc1cc(Cl)c2c(c1)C[N@H+](CCOCC(F)(F)F)CC2 ZINC000451156872 241026282 /nfs/dbraw/zinc/02/62/82/241026282.db2.gz GIGCHLQMRKAHQU-UHFFFAOYSA-N 1 2 311.706 3.416 10 0 DGAELO CCn1cc[nH+]c1CS(=O)(=O)CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000246216543 432109041 /nfs/dbraw/zinc/10/90/41/432109041.db2.gz KYZSDBJNPURDTG-FICVDOATSA-N 1 2 312.479 3.280 10 0 DGAELO CCc1nc(C)c(NC(=O)N[C@@H](C)c2[nH+]ccn2CC)s1 ZINC000455208411 242134734 /nfs/dbraw/zinc/13/47/34/242134734.db2.gz RQGJNPOTLCECEB-VIFPVBQESA-N 1 2 307.423 3.113 10 0 DGAELO CCc1nc(C(C)(C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)no1 ZINC000455517699 242222920 /nfs/dbraw/zinc/22/29/20/242222920.db2.gz KUOQFUFYXJBQJK-UHFFFAOYSA-N 1 2 317.393 3.009 10 0 DGAELO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(C)o3)n2)cc1 ZINC000171234944 432114298 /nfs/dbraw/zinc/11/42/98/432114298.db2.gz 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PKJLXJHWUSNZKO-AWEZNQCLSA-N 1 2 318.848 3.171 10 0 DGAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(Cl)cc3F)[C@@H]2C1 ZINC000189134532 165150598 /nfs/dbraw/zinc/15/05/98/165150598.db2.gz ANMDAJSFSWMMTA-FVQBIDKESA-N 1 2 313.800 3.247 10 0 DGAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(Cl)cc3F)[C@@H]2C1 ZINC000189134532 165150601 /nfs/dbraw/zinc/15/06/01/165150601.db2.gz ANMDAJSFSWMMTA-FVQBIDKESA-N 1 2 313.800 3.247 10 0 DGAELO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191149421 165233462 /nfs/dbraw/zinc/23/34/62/165233462.db2.gz SKTMAERGQMGJCK-SNVBAGLBSA-N 1 2 301.217 3.219 10 0 DGAELO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191149421 165233466 /nfs/dbraw/zinc/23/34/66/165233466.db2.gz SKTMAERGQMGJCK-SNVBAGLBSA-N 1 2 301.217 3.219 10 0 DGAELO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(C3CC3)n2C)cc1 ZINC000195025997 165359270 /nfs/dbraw/zinc/35/92/70/165359270.db2.gz KEWKSCZWKQOAKC-INIZCTEOSA-N 1 2 312.417 3.038 10 0 DGAELO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(C3CC3)n2C)cc1 ZINC000195025997 165359273 /nfs/dbraw/zinc/35/92/73/165359273.db2.gz KEWKSCZWKQOAKC-INIZCTEOSA-N 1 2 312.417 3.038 10 0 DGAELO O=C(C[N@@H+]1CCC[C@@H](c2nccs2)C1)Nc1cccc(F)c1 ZINC000195351326 165367489 /nfs/dbraw/zinc/36/74/89/165367489.db2.gz OYIZYYXOTPBGCI-GFCCVEGCSA-N 1 2 319.405 3.100 10 0 DGAELO O=C(C[N@H+]1CCC[C@@H](c2nccs2)C1)Nc1cccc(F)c1 ZINC000195351326 165367493 /nfs/dbraw/zinc/36/74/93/165367493.db2.gz OYIZYYXOTPBGCI-GFCCVEGCSA-N 1 2 319.405 3.100 10 0 DGAELO CC(C)c1nc([C@@H]2CCCN2Cc2cn3ccccc3[nH+]2)no1 ZINC000195439023 165370413 /nfs/dbraw/zinc/37/04/13/165370413.db2.gz MZOHEZLMBLOIGE-AWEZNQCLSA-N 1 2 311.389 3.178 10 0 DGAELO CC(C)n1cc[nH+]c1CSc1nnc(-c2ccncc2)o1 ZINC000195516894 165374562 /nfs/dbraw/zinc/37/45/62/165374562.db2.gz PZAIJSJBKHECQK-UHFFFAOYSA-N 1 2 301.375 3.201 10 0 DGAELO c1cc(-c2ccc(C[N@@H+]3CCOC[C@H]3c3ccccc3)o2)n[nH]1 ZINC000366020858 287200840 /nfs/dbraw/zinc/20/08/40/287200840.db2.gz FJZQCZGQZMOHSN-KRWDZBQOSA-N 1 2 309.369 3.243 10 0 DGAELO c1cc(-c2ccc(C[N@H+]3CCOC[C@H]3c3ccccc3)o2)n[nH]1 ZINC000366020858 287200842 /nfs/dbraw/zinc/20/08/42/287200842.db2.gz FJZQCZGQZMOHSN-KRWDZBQOSA-N 1 2 309.369 3.243 10 0 DGAELO Cc1ccccc1-c1nc(C[N@H+]2CCS[C@H](C)[C@@H]2C)no1 ZINC000129523318 196055238 /nfs/dbraw/zinc/05/52/38/196055238.db2.gz FVJJSZAOULETBR-QWHCGFSZSA-N 1 2 303.431 3.371 10 0 DGAELO Cc1ccccc1-c1nc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)no1 ZINC000129523318 196055239 /nfs/dbraw/zinc/05/52/39/196055239.db2.gz FVJJSZAOULETBR-QWHCGFSZSA-N 1 2 303.431 3.371 10 0 DGAELO CCn1c(C)nnc1C[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000182248673 432171813 /nfs/dbraw/zinc/17/18/13/432171813.db2.gz HYHCYAXWQJNRQA-UHFFFAOYSA-N 1 2 312.461 3.462 10 0 DGAELO CCn1c(C)nnc1C[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000182248673 432171815 /nfs/dbraw/zinc/17/18/15/432171815.db2.gz HYHCYAXWQJNRQA-UHFFFAOYSA-N 1 2 312.461 3.462 10 0 DGAELO CN1C(=O)c2ccccc2[C@@]1(c1ccc(Cl)cc1)[NH+](C)C ZINC000136802111 432163620 /nfs/dbraw/zinc/16/36/20/432163620.db2.gz XVFLHIWTYGAGHK-KRWDZBQOSA-N 1 2 300.789 3.188 10 0 DGAELO CN(C)c1[nH+]cccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171748090 432168283 /nfs/dbraw/zinc/16/82/83/432168283.db2.gz CXDKXBCJDMOIFB-NEPJUHHUSA-N 1 2 317.339 3.168 10 0 DGAELO Cc1ccc([C@H]2C[N@H+](CCCC(=O)OC(C)(C)C)CCO2)o1 ZINC000182254720 432172638 /nfs/dbraw/zinc/17/26/38/432172638.db2.gz SSEHPOQFHZAMAR-OAHLLOKOSA-N 1 2 309.406 3.083 10 0 DGAELO Cc1ccc([C@H]2C[N@@H+](CCCC(=O)OC(C)(C)C)CCO2)o1 ZINC000182254720 432172642 /nfs/dbraw/zinc/17/26/42/432172642.db2.gz SSEHPOQFHZAMAR-OAHLLOKOSA-N 1 2 309.406 3.083 10 0 DGAELO FC(F)(F)c1ccccc1[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000182390038 432185565 /nfs/dbraw/zinc/18/55/65/432185565.db2.gz NOEJNYLEIDGKLB-AWEZNQCLSA-N 1 2 311.307 3.002 10 0 DGAELO FC(F)(F)c1ccccc1[C@@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000182390038 432185568 /nfs/dbraw/zinc/18/55/68/432185568.db2.gz NOEJNYLEIDGKLB-AWEZNQCLSA-N 1 2 311.307 3.002 10 0 DGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CCc1cccs1)C2 ZINC000172003317 432189859 /nfs/dbraw/zinc/18/98/59/432189859.db2.gz GOFLZXQMRPAWBL-UHFFFAOYSA-N 1 2 317.458 3.123 10 0 DGAELO COc1ccccc1CCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000182474309 432193938 /nfs/dbraw/zinc/19/39/38/432193938.db2.gz CSPVZTXEFZMFIK-MRXNPFEDSA-N 1 2 318.442 3.158 10 0 DGAELO COc1ccccc1CCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000182474309 432193941 /nfs/dbraw/zinc/19/39/41/432193941.db2.gz CSPVZTXEFZMFIK-MRXNPFEDSA-N 1 2 318.442 3.158 10 0 DGAELO Cc1cccc2[nH+]c(CNC(=O)N3CCC[C@H]3c3ccco3)cn21 ZINC000172186406 432200950 /nfs/dbraw/zinc/20/09/50/432200950.db2.gz RLUFSMSLDRQHKA-HNNXBMFYSA-N 1 2 324.384 3.282 10 0 DGAELO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c(F)c1 ZINC000130816605 196113030 /nfs/dbraw/zinc/11/30/30/196113030.db2.gz KDFXYBJAWSCOTD-VXGBXAGGSA-N 1 2 318.396 3.174 10 0 DGAELO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000130939989 196125371 /nfs/dbraw/zinc/12/53/71/196125371.db2.gz VJJXBPZTFFPFSN-ZIAGYGMSSA-N 1 2 314.433 3.343 10 0 DGAELO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1nnc2n1CCCC2 ZINC000130996880 196130397 /nfs/dbraw/zinc/13/03/97/196130397.db2.gz RDXAZFKBDJJXBW-QWRGUYRKSA-N 1 2 306.360 3.304 10 0 DGAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cc(F)cc(F)c1 ZINC000130997083 196130768 /nfs/dbraw/zinc/13/07/68/196130768.db2.gz RDXAZFKBDJJXBW-MNOVXSKESA-N 1 2 306.360 3.304 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(F)cc1Cl ZINC000131177351 196146578 /nfs/dbraw/zinc/14/65/78/196146578.db2.gz AZHHTLHURWFXRV-UHFFFAOYSA-N 1 2 309.772 3.262 10 0 DGAELO CC(C)c1noc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000172308624 432207836 /nfs/dbraw/zinc/20/78/36/432207836.db2.gz PWBBJALZFUSTSU-UHFFFAOYSA-N 1 2 319.380 3.376 10 0 DGAELO CC[C@H](SC)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000131316550 196160133 /nfs/dbraw/zinc/16/01/33/196160133.db2.gz DTYYBJHPHMWHEG-WFASDCNBSA-N 1 2 303.431 3.191 10 0 DGAELO Cc1cccc([C@H](O)CNc2cc(C)[nH+]c(-c3cccnc3)n2)c1 ZINC000132576902 196267256 /nfs/dbraw/zinc/26/72/56/196267256.db2.gz ZDXRBKOONXJIDP-QGZVFWFLSA-N 1 2 320.396 3.301 10 0 DGAELO Cc1cc2ccccc2[nH+]c1N(C)Cc1cnc(N(C)C)nc1 ZINC000302021455 230041289 /nfs/dbraw/zinc/04/12/89/230041289.db2.gz IHPCSUHGUUPSSB-UHFFFAOYSA-N 1 2 307.401 3.036 10 0 DGAELO C[C@H](c1cnccn1)[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000184684323 263617126 /nfs/dbraw/zinc/61/71/26/263617126.db2.gz ZMRAGONVJWVIEE-LSDHHAIUSA-N 1 2 314.408 3.056 10 0 DGAELO COc1cccc2c1[nH+]c(NCc1ccc(NC(C)=O)cc1)n2C ZINC000184790383 263619865 /nfs/dbraw/zinc/61/98/65/263619865.db2.gz BKMSFLIECWVLMI-UHFFFAOYSA-N 1 2 324.384 3.152 10 0 DGAELO c1cc(Sc2ccccn2)oc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000352961061 265245560 /nfs/dbraw/zinc/24/55/60/265245560.db2.gz ZOYDYOZOQXXQSW-OAHLLOKOSA-N 1 2 316.426 3.437 10 0 DGAELO c1cc(Sc2ccccn2)oc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000352961061 265245563 /nfs/dbraw/zinc/24/55/63/265245563.db2.gz ZOYDYOZOQXXQSW-OAHLLOKOSA-N 1 2 316.426 3.437 10 0 DGAELO CCc1nnc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)n1C ZINC000247455109 432232219 /nfs/dbraw/zinc/23/22/19/432232219.db2.gz HURLSTIDTMVZQG-WFASDCNBSA-N 1 2 302.397 3.100 10 0 DGAELO CCc1nnc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)n1C ZINC000247455109 432232226 /nfs/dbraw/zinc/23/22/26/432232226.db2.gz HURLSTIDTMVZQG-WFASDCNBSA-N 1 2 302.397 3.100 10 0 DGAELO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000182894371 432239539 /nfs/dbraw/zinc/23/95/39/432239539.db2.gz RYDRUGOPOWCWDV-XJKSGUPXSA-N 1 2 309.369 3.121 10 0 DGAELO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247570816 432242970 /nfs/dbraw/zinc/24/29/70/432242970.db2.gz HDOWFODPRGADPT-GXTWGEPZSA-N 1 2 323.799 3.138 10 0 DGAELO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247570816 432242974 /nfs/dbraw/zinc/24/29/74/432242974.db2.gz HDOWFODPRGADPT-GXTWGEPZSA-N 1 2 323.799 3.138 10 0 DGAELO O=C(CC1CCC(C(F)(F)F)CC1)NCCCn1cc[nH+]c1 ZINC000182931052 432243215 /nfs/dbraw/zinc/24/32/15/432243215.db2.gz GBQHXKYQKOGKHN-UHFFFAOYSA-N 1 2 317.355 3.148 10 0 DGAELO Cc1cc(C)c(NC(=O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c(Cl)c1 ZINC000191281747 432244155 /nfs/dbraw/zinc/24/41/55/432244155.db2.gz DOOZOOPUGOJHTN-STQMWFEESA-N 1 2 324.852 3.129 10 0 DGAELO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000247680312 432245916 /nfs/dbraw/zinc/24/59/16/432245916.db2.gz RRMLTNVAUCTPET-SNPRPXQTSA-N 1 2 316.405 3.138 10 0 DGAELO CC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C[C@@H](C)O1 ZINC000247744654 432249232 /nfs/dbraw/zinc/24/92/32/432249232.db2.gz XSVQFYHQYSXVLX-UMVBOHGHSA-N 1 2 301.390 3.297 10 0 DGAELO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C[C@@H](C)O1 ZINC000247744657 432248476 /nfs/dbraw/zinc/24/84/76/432248476.db2.gz XSVQFYHQYSXVLX-VNHYZAJKSA-N 1 2 301.390 3.297 10 0 DGAELO CC[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C[C@@H](C)O1 ZINC000247744657 432248480 /nfs/dbraw/zinc/24/84/80/432248480.db2.gz XSVQFYHQYSXVLX-VNHYZAJKSA-N 1 2 301.390 3.297 10 0 DGAELO CC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C[C@H](C)O1 ZINC000247744650 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ZINC000249850465 432360138 /nfs/dbraw/zinc/36/01/38/432360138.db2.gz PHMLBLDAZANRRH-BDJLRTHQSA-N 1 2 305.809 3.334 10 0 DGAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000184185136 432364388 /nfs/dbraw/zinc/36/43/88/432364388.db2.gz KCVVBZKEPKWPJF-XJKSGUPXSA-N 1 2 324.852 3.018 10 0 DGAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000184185136 432364392 /nfs/dbraw/zinc/36/43/92/432364392.db2.gz KCVVBZKEPKWPJF-XJKSGUPXSA-N 1 2 324.852 3.018 10 0 DGAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000184185157 432364637 /nfs/dbraw/zinc/36/46/37/432364637.db2.gz KCVVBZKEPKWPJF-BBRMVZONSA-N 1 2 324.852 3.018 10 0 DGAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000184185157 432364641 /nfs/dbraw/zinc/36/46/41/432364641.db2.gz KCVVBZKEPKWPJF-BBRMVZONSA-N 1 2 324.852 3.018 10 0 DGAELO CC(C)Cc1noc(C[NH2+][C@@H]2CCCc3c(O)cccc32)n1 ZINC000192361404 432365909 /nfs/dbraw/zinc/36/59/09/432365909.db2.gz ZLDPXOOWQXFIJK-CQSZACIVSA-N 1 2 301.390 3.141 10 0 DGAELO COc1cccc2c1[nH+]c(NCc1ccc3c(c1)CCO3)n2C ZINC000184789395 432433694 /nfs/dbraw/zinc/43/36/94/432433694.db2.gz LYIPFNILBRJVOO-UHFFFAOYSA-N 1 2 309.369 3.129 10 0 DGAELO c1[nH+]c2c(n1-c1ccccc1)CCN(c1ccnc(C3CC3)n1)C2 ZINC000272186217 432459403 /nfs/dbraw/zinc/45/94/03/432459403.db2.gz KAXNDSPNXWKOJD-UHFFFAOYSA-N 1 2 317.396 3.102 10 0 DGAELO CCCCCS(=O)(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000184602073 432410772 /nfs/dbraw/zinc/41/07/72/432410772.db2.gz FAGHKTDWXKWZLP-CQSZACIVSA-N 1 2 321.446 3.043 10 0 DGAELO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1nsc(N(C)C)n1 ZINC000153458681 432412239 /nfs/dbraw/zinc/41/22/39/432412239.db2.gz RJJBYEBBPSVHAW-CQSZACIVSA-N 1 2 304.463 3.057 10 0 DGAELO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nsc(N(C)C)n1 ZINC000153458681 432412241 /nfs/dbraw/zinc/41/22/41/432412241.db2.gz RJJBYEBBPSVHAW-CQSZACIVSA-N 1 2 304.463 3.057 10 0 DGAELO Cc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nc(N(C)C)no1 ZINC000192782670 432412320 /nfs/dbraw/zinc/41/23/20/432412320.db2.gz 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ZINC000184702940 432423923 /nfs/dbraw/zinc/42/39/23/432423923.db2.gz NCJVQGFQGWVYFE-GUYCJALGSA-N 1 2 301.365 3.059 10 0 DGAELO C[C@H](c1nccs1)[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000257352599 432427245 /nfs/dbraw/zinc/42/72/45/432427245.db2.gz MEHXDQNPORXEKQ-NEPJUHHUSA-N 1 2 311.451 3.193 10 0 DGAELO C[C@H](c1nccs1)[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000257352599 432427247 /nfs/dbraw/zinc/42/72/47/432427247.db2.gz MEHXDQNPORXEKQ-NEPJUHHUSA-N 1 2 311.451 3.193 10 0 DGAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000175928827 432478843 /nfs/dbraw/zinc/47/88/43/432478843.db2.gz KXGMNYBQSAPHRT-FXAWDEMLSA-N 1 2 323.440 3.059 10 0 DGAELO Cc1cc(NC(=O)[C@@H](C)CC(C)C)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000185462688 432501928 /nfs/dbraw/zinc/50/19/28/432501928.db2.gz KHCREULHJIIAPY-NSHDSACASA-N 1 2 315.421 3.208 10 0 DGAELO CN(C)c1nc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)ns1 ZINC000154574586 432508004 /nfs/dbraw/zinc/50/80/04/432508004.db2.gz LSHJFCDJXYDFMD-KRWDZBQOSA-N 1 2 316.474 3.158 10 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AUHDAEGSFFJVKR-WMLDXEAASA-N 1 2 321.371 3.013 10 0 DGAELO CC[C@H](c1ccc(F)cc1F)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000154944334 432531008 /nfs/dbraw/zinc/53/10/08/432531008.db2.gz AUHDAEGSFFJVKR-WMLDXEAASA-N 1 2 321.371 3.013 10 0 DGAELO CCCCCC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000176525422 432531477 /nfs/dbraw/zinc/53/14/77/432531477.db2.gz WAAHFHFDXGUIIZ-HNNXBMFYSA-N 1 2 324.490 3.160 10 0 DGAELO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)n1 ZINC000186630975 432614989 /nfs/dbraw/zinc/61/49/89/432614989.db2.gz YVNSAPGKZWIPGX-GOSISDBHSA-N 1 2 300.377 3.411 10 0 DGAELO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(C)n1 ZINC000186630975 432614990 /nfs/dbraw/zinc/61/49/90/432614990.db2.gz YVNSAPGKZWIPGX-GOSISDBHSA-N 1 2 300.377 3.411 10 0 DGAELO CC(C)n1cc[nH+]c1CNc1ccccc1C(=O)N1CCCC1 ZINC000176963973 432570805 /nfs/dbraw/zinc/57/08/05/432570805.db2.gz IJPUMOAVJANVNY-UHFFFAOYSA-N 1 2 312.417 3.312 10 0 DGAELO Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263776794 432576820 /nfs/dbraw/zinc/57/68/20/432576820.db2.gz KYQDXNDQSXRIIB-KRWDZBQOSA-N 1 2 324.428 3.015 10 0 DGAELO CCOC(=O)c1cccnc1SCc1c[nH+]c2ccccn12 ZINC000155961792 432584464 /nfs/dbraw/zinc/58/44/64/432584464.db2.gz LBGPVXZCJGJPQX-UHFFFAOYSA-N 1 2 313.382 3.198 10 0 DGAELO CCc1nnc(C[N@@H+](C)Cc2c3ccccc3oc2CC)n1C ZINC000195038247 432596419 /nfs/dbraw/zinc/59/64/19/432596419.db2.gz FMETYLBEPPLWHB-UHFFFAOYSA-N 1 2 312.417 3.318 10 0 DGAELO CCc1nnc(C[N@H+](C)Cc2c3ccccc3oc2CC)n1C ZINC000195038247 432596420 /nfs/dbraw/zinc/59/64/20/432596420.db2.gz FMETYLBEPPLWHB-UHFFFAOYSA-N 1 2 312.417 3.318 10 0 DGAELO CC(C)c1nnc(C[N@H+](Cc2ccco2)C2CCCC2)n1C ZINC000195089346 432602932 /nfs/dbraw/zinc/60/29/32/432602932.db2.gz OBUWRYSWDRBIDD-UHFFFAOYSA-N 1 2 302.422 3.476 10 0 DGAELO CC(C)c1nnc(C[N@@H+](Cc2ccco2)C2CCCC2)n1C ZINC000195089346 432602938 /nfs/dbraw/zinc/60/29/38/432602938.db2.gz OBUWRYSWDRBIDD-UHFFFAOYSA-N 1 2 302.422 3.476 10 0 DGAELO Cn1c(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)nnc1C1CC1 ZINC000195104774 432604515 /nfs/dbraw/zinc/60/45/15/432604515.db2.gz YSKMEMPBRSKCSY-QGZVFWFLSA-N 1 2 308.429 3.344 10 0 DGAELO Cn1c(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)nnc1C1CC1 ZINC000195104774 432604519 /nfs/dbraw/zinc/60/45/19/432604519.db2.gz YSKMEMPBRSKCSY-QGZVFWFLSA-N 1 2 308.429 3.344 10 0 DGAELO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195364597 432619895 /nfs/dbraw/zinc/61/98/95/432619895.db2.gz NMFHHRADADCXOK-HUUCEWRRSA-N 1 2 321.490 3.461 10 0 DGAELO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195364597 432619899 /nfs/dbraw/zinc/61/98/99/432619899.db2.gz NMFHHRADADCXOK-HUUCEWRRSA-N 1 2 321.490 3.461 10 0 DGAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccnc(Cl)c1 ZINC000195409433 432621850 /nfs/dbraw/zinc/62/18/50/432621850.db2.gz MIGKCSMULABSJI-RDBSUJKOSA-N 1 2 308.809 3.041 10 0 DGAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccnc(Cl)c1 ZINC000195409433 432621853 /nfs/dbraw/zinc/62/18/53/432621853.db2.gz MIGKCSMULABSJI-RDBSUJKOSA-N 1 2 308.809 3.041 10 0 DGAELO Cc1c(Cn2ccnc2-c2cccc(F)n2)[nH+]c2ccccn12 ZINC000211808231 432640714 /nfs/dbraw/zinc/64/07/14/432640714.db2.gz RRPXDOSKZVMMND-UHFFFAOYSA-N 1 2 307.332 3.089 10 0 DGAELO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nnc(C)n1C1CC1 ZINC000154870928 288382119 /nfs/dbraw/zinc/38/21/19/288382119.db2.gz IDMUQHHQOXHKIM-AWEZNQCLSA-N 1 2 302.447 3.492 10 0 DGAELO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nnc(C)n1C1CC1 ZINC000154870928 288382122 /nfs/dbraw/zinc/38/21/22/288382122.db2.gz IDMUQHHQOXHKIM-AWEZNQCLSA-N 1 2 302.447 3.492 10 0 DGAELO CC(C)(C)c1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177770972 432658587 /nfs/dbraw/zinc/65/85/87/432658587.db2.gz VVYGEOYQQJKYIS-KRWDZBQOSA-N 1 2 311.429 3.485 10 0 DGAELO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C)o3)C2)cc1F ZINC000159019088 432666681 /nfs/dbraw/zinc/66/66/81/432666681.db2.gz ACUXGOOETVIVFU-KRWDZBQOSA-N 1 2 305.349 3.309 10 0 DGAELO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(C)o3)C2)cc1F ZINC000159019088 432666686 /nfs/dbraw/zinc/66/66/86/432666686.db2.gz ACUXGOOETVIVFU-KRWDZBQOSA-N 1 2 305.349 3.309 10 0 DGAELO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177834332 432667200 /nfs/dbraw/zinc/66/72/00/432667200.db2.gz VXFPFBFGORSUJX-HZSPNIEDSA-N 1 2 323.868 3.345 10 0 DGAELO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177834332 432667203 /nfs/dbraw/zinc/66/72/03/432667203.db2.gz VXFPFBFGORSUJX-HZSPNIEDSA-N 1 2 323.868 3.345 10 0 DGAELO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2noc(C3CCCCC3)n2)C1 ZINC000187921672 432693568 /nfs/dbraw/zinc/69/35/68/432693568.db2.gz TWQLOXTVDVDLIF-SUMWQHHRSA-N 1 2 307.438 3.100 10 0 DGAELO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2noc(C3CCCCC3)n2)C1 ZINC000187921672 432693573 /nfs/dbraw/zinc/69/35/73/432693573.db2.gz TWQLOXTVDVDLIF-SUMWQHHRSA-N 1 2 307.438 3.100 10 0 DGAELO C[C@H]1CC[C@](CO)([N@H+](C)Cc2noc(C3CCCCC3)n2)C1 ZINC000187921725 432694030 /nfs/dbraw/zinc/69/40/30/432694030.db2.gz TWQLOXTVDVDLIF-GUYCJALGSA-N 1 2 307.438 3.100 10 0 DGAELO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2noc(C3CCCCC3)n2)C1 ZINC000187921725 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CC(C)[C@]1(C)C[C@@H]1c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000350187994 546612655 /nfs/dbraw/zinc/61/26/55/546612655.db2.gz CRZYJBHJKUUCDL-WVZRYYJFSA-N 1 2 305.422 3.145 10 0 DGAELO CC(C)[C@]1(C)C[C@@H]1c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000350187994 546612661 /nfs/dbraw/zinc/61/26/61/546612661.db2.gz CRZYJBHJKUUCDL-WVZRYYJFSA-N 1 2 305.422 3.145 10 0 DGAELO CCc1noc(C[NH2+][C@H](C)c2cccc(Br)c2)n1 ZINC000678737242 548754909 /nfs/dbraw/zinc/75/49/09/548754909.db2.gz MOBFRHDQEMZTDA-SECBINFHSA-N 1 2 310.195 3.245 10 0 DGAELO COc1ccc(/C=C/C(=O)Nc2ccc3[nH+]ccn3c2)cc1OC ZINC000733879273 574641713 /nfs/dbraw/zinc/64/17/13/574641713.db2.gz UFMJYMPVOSGYHP-XBXARRHUSA-N 1 2 323.352 3.003 10 0 DGAELO COc1ccccc1C/C(C)=C\C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733967480 574646011 /nfs/dbraw/zinc/64/60/11/574646011.db2.gz MYCOSYQQMQDYIR-OWBHPGMISA-N 1 2 321.380 3.470 10 0 DGAELO CCN(C)c1ccccc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738950093 574887211 /nfs/dbraw/zinc/88/72/11/574887211.db2.gz 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ZINC000185094241 660201249 /nfs/dbraw/zinc/20/12/49/660201249.db2.gz KRNQWSLKZDGMJP-AWEZNQCLSA-N 1 2 309.479 3.413 10 0 DGAELO C[C@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)cc(F)c1O ZINC000185386910 660221294 /nfs/dbraw/zinc/22/12/94/660221294.db2.gz PJRAZHAGPBQWDF-WCBMZHEXSA-N 1 2 318.186 3.123 10 0 DGAELO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccnc1Cl)c1nccs1 ZINC000161101244 655740795 /nfs/dbraw/zinc/74/07/95/655740795.db2.gz OOUJKVNVNLAZMT-ZJUUUORDSA-N 1 2 324.837 3.259 10 0 DGAELO CC(C)N(Cc1cccc(Cl)c1)C(=O)C[C@H]([NH3+])C(F)F ZINC000724739301 655810654 /nfs/dbraw/zinc/81/06/54/655810654.db2.gz LTTCQCCJUVQHJA-LBPRGKRZSA-N 1 2 304.768 3.060 10 0 DGAELO COc1cccc(C[NH2+]Cc2ncc(Br)s2)c1 ZINC000713715081 661193630 /nfs/dbraw/zinc/19/36/30/661193630.db2.gz AOVMXXLCFYUNGB-UHFFFAOYSA-N 1 2 313.220 3.204 10 0 DGAELO C=C(Cl)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000053100856 655919584 /nfs/dbraw/zinc/91/95/84/655919584.db2.gz KHDULQSKJYHVKY-UHFFFAOYSA-N 1 2 315.244 3.089 10 0 DGAELO CC[N@H+](C)[C@@H](C(=O)OCC1(C)CCOCC1)c1ccccc1 ZINC000185599133 656127814 /nfs/dbraw/zinc/12/78/14/656127814.db2.gz YLISSDUKHCLRST-MRXNPFEDSA-N 1 2 305.418 3.039 10 0 DGAELO CC[N@@H+](C)[C@@H](C(=O)OCC1(C)CCOCC1)c1ccccc1 ZINC000185599133 656127816 /nfs/dbraw/zinc/12/78/16/656127816.db2.gz YLISSDUKHCLRST-MRXNPFEDSA-N 1 2 305.418 3.039 10 0 DGAELO Cc1cc[nH+]cc1NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195215862 656210571 /nfs/dbraw/zinc/21/05/71/656210571.db2.gz POGUOOBXUOQCMF-QGZVFWFLSA-N 1 2 305.422 3.449 10 0 DGAELO C[NH+](C)Cc1csc(CNc2nccc3sccc32)n1 ZINC000722391806 656656359 /nfs/dbraw/zinc/65/63/59/656656359.db2.gz IDFKAPHBNRENAT-UHFFFAOYSA-N 1 2 304.444 3.427 10 0 DGAELO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C)c2)cc1F ZINC000008214350 658289316 /nfs/dbraw/zinc/28/93/16/658289316.db2.gz OQMGQDIVPVURGO-UHFFFAOYSA-N 1 2 316.376 3.213 10 0 DGAELO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2)cc1F ZINC000008214350 658289320 /nfs/dbraw/zinc/28/93/20/658289320.db2.gz OQMGQDIVPVURGO-UHFFFAOYSA-N 1 2 316.376 3.213 10 0 DGAELO O=C1N[C@@H](c2ccc(-n3cc[nH+]c3)cc2)Nc2cc(Cl)ccc21 ZINC000027216741 659687606 /nfs/dbraw/zinc/68/76/06/659687606.db2.gz KMMGVTZGCAVHPJ-INIZCTEOSA-N 1 2 324.771 3.380 10 0 DGAELO CC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCN1CC(F)F ZINC000180543561 659965109 /nfs/dbraw/zinc/96/51/09/659965109.db2.gz FRHWYBIHSPUTAY-LBPRGKRZSA-N 1 2 318.795 3.207 10 0 DGAELO CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCN1CC(F)F ZINC000180543561 659965110 /nfs/dbraw/zinc/96/51/10/659965110.db2.gz FRHWYBIHSPUTAY-LBPRGKRZSA-N 1 2 318.795 3.207 10 0 DGAELO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)s1)c1nncn1C ZINC000717912022 662197410 /nfs/dbraw/zinc/19/74/10/662197410.db2.gz OFDHWRBUHNGRDQ-JGVFFNPUSA-N 1 2 304.341 3.307 10 0 DGAELO c1cn(-c2cccc(NCc3cnn(-c4ccccc4)n3)c2)c[nH+]1 ZINC000378921439 1197702077 /nfs/dbraw/zinc/70/20/77/1197702077.db2.gz YPOBFEYHPHRVJJ-UHFFFAOYSA-N 1 2 316.368 3.065 10 0 DGAELO Cc1noc([C@@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)C(C)C)n1 ZINC000191051436 1203283130 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CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1nsc(N(C)C)n1 ZINC000156930596 529542440 /nfs/dbraw/zinc/54/24/40/529542440.db2.gz SPXGULVGFHYRRQ-HNNXBMFYSA-N 1 2 318.490 3.447 10 0 DGAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000090227116 185287748 /nfs/dbraw/zinc/28/77/48/185287748.db2.gz BXNJXDOSDPVLRF-SDBXPKJASA-N 1 2 310.323 3.190 10 0 DGAELO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1OC ZINC000092594433 185328456 /nfs/dbraw/zinc/32/84/56/185328456.db2.gz HRNWCHPQQGWZJW-MRXNPFEDSA-N 1 2 319.426 3.339 10 0 DGAELO COc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1OC ZINC000092594433 185328457 /nfs/dbraw/zinc/32/84/57/185328457.db2.gz HRNWCHPQQGWZJW-MRXNPFEDSA-N 1 2 319.426 3.339 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]Cc2cc3ccc(F)cc3[nH]2)no1 ZINC000441226521 529714165 /nfs/dbraw/zinc/71/41/65/529714165.db2.gz FZFWUMWUOGYMFH-UHFFFAOYSA-N 1 2 302.353 3.277 10 0 DGAELO CCc1nc(C(C)(C)[NH2+]CCc2c(F)cccc2Cl)no1 ZINC000441243449 529714253 /nfs/dbraw/zinc/71/42/53/529714253.db2.gz IZNAJHJUQHTHPB-UHFFFAOYSA-N 1 2 311.788 3.492 10 0 DGAELO CNC(=O)c1cccc(CSCc2[nH+]ccn2C(C)C)c1 ZINC000175298720 529948038 /nfs/dbraw/zinc/94/80/38/529948038.db2.gz KRKBGHHKBBYGBI-UHFFFAOYSA-N 1 2 303.431 3.257 10 0 DGAELO CCn1c(C)nnc1C[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000181699180 199341067 /nfs/dbraw/zinc/34/10/67/199341067.db2.gz QHKUWTFJDGYOKJ-INIZCTEOSA-N 1 2 316.449 3.492 10 0 DGAELO CC[C@H](c1ccncc1)[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000130145794 432016412 /nfs/dbraw/zinc/01/64/12/432016412.db2.gz FFGSQPQEPMQCFH-GOSISDBHSA-N 1 2 307.401 3.245 10 0 DGAELO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000130145794 432016415 /nfs/dbraw/zinc/01/64/15/432016415.db2.gz FFGSQPQEPMQCFH-GOSISDBHSA-N 1 2 307.401 3.245 10 0 DGAELO Cc1cc(NCC2(O)CCSCC2)c2cccc(F)c2[nH+]1 ZINC000126823503 185896198 /nfs/dbraw/zinc/89/61/98/185896198.db2.gz XYDYDWBERNOZGJ-UHFFFAOYSA-N 1 2 306.406 3.352 10 0 DGAELO CCOc1ccc(-c2nc(C[NH+]3C[C@H](C)O[C@@H](C)C3)co2)cc1 ZINC000072181940 191071762 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324.428 3.232 10 0 DGAELO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Br)c(F)c1F ZINC000528520243 295222768 /nfs/dbraw/zinc/22/27/68/295222768.db2.gz NWLUGPCUFISZSS-LDYMZIIASA-N 1 2 320.177 3.073 10 0 DGAELO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Br)c(F)c1F ZINC000528520243 295222769 /nfs/dbraw/zinc/22/27/69/295222769.db2.gz NWLUGPCUFISZSS-LDYMZIIASA-N 1 2 320.177 3.073 10 0 DGAELO COc1ccc(OC)c(C[NH+]2CC(C)(CC(F)(F)F)C2)c1 ZINC000459641566 434644391 /nfs/dbraw/zinc/64/43/91/434644391.db2.gz RFZRAJLWJDSWIC-UHFFFAOYSA-N 1 2 303.324 3.478 10 0 DGAELO CCOCc1nc([C@H](C)[NH2+]Cc2ccc(C3CC3)cc2)no1 ZINC000459557187 434605783 /nfs/dbraw/zinc/60/57/83/434605783.db2.gz CVDDCKWUOBOXLT-LBPRGKRZSA-N 1 2 301.390 3.334 10 0 DGAELO CCCC1(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000372464311 434830621 /nfs/dbraw/zinc/83/06/21/434830621.db2.gz JHVQQJOEDKXCEC-ZDUSSCGKSA-N 1 2 303.450 3.335 10 0 DGAELO CCCC1(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000372464311 434830625 /nfs/dbraw/zinc/83/06/25/434830625.db2.gz JHVQQJOEDKXCEC-ZDUSSCGKSA-N 1 2 303.450 3.335 10 0 DGAELO Cc1csc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)n1 ZINC000372498476 434834701 /nfs/dbraw/zinc/83/47/01/434834701.db2.gz XAXGNBWHAPOKMI-SNVBAGLBSA-N 1 2 304.419 3.042 10 0 DGAELO Cc1csc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)n1 ZINC000372498476 434834704 /nfs/dbraw/zinc/83/47/04/434834704.db2.gz XAXGNBWHAPOKMI-SNVBAGLBSA-N 1 2 304.419 3.042 10 0 DGAELO Cn1ccc([C@@H]([NH2+]CCOCC2CCC2)c2ccc(F)cc2)n1 ZINC000574129325 434952762 /nfs/dbraw/zinc/95/27/62/434952762.db2.gz FBKGSBPGYLVOIX-SFHVURJKSA-N 1 2 317.408 3.055 10 0 DGAELO CCOC(=O)C[N@H+](CCOc1ccccc1Cl)C1CCC1 ZINC000467190342 435110812 /nfs/dbraw/zinc/11/08/12/435110812.db2.gz INCUWYPPRMWJOV-UHFFFAOYSA-N 1 2 311.809 3.136 10 0 DGAELO CCOC(=O)C[N@@H+](CCOc1ccccc1Cl)C1CCC1 ZINC000467190342 435110815 /nfs/dbraw/zinc/11/08/15/435110815.db2.gz INCUWYPPRMWJOV-UHFFFAOYSA-N 1 2 311.809 3.136 10 0 DGAELO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(F)c(F)c1 ZINC000470932475 435137337 /nfs/dbraw/zinc/13/73/37/435137337.db2.gz PFOPUDMNQRWVOQ-WPRPVWTQSA-N 1 2 322.277 3.176 10 0 DGAELO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(F)c(F)c1 ZINC000470932475 435137340 /nfs/dbraw/zinc/13/73/40/435137340.db2.gz PFOPUDMNQRWVOQ-WPRPVWTQSA-N 1 2 322.277 3.176 10 0 DGAELO CSc1ccc(OCC[N@@H+]2CCC[C@H]2C(=O)OC(C)C)cc1 ZINC000533379607 435229361 /nfs/dbraw/zinc/22/93/61/435229361.db2.gz VRQULUGIRGVPGK-INIZCTEOSA-N 1 2 323.458 3.203 10 0 DGAELO CSc1ccc(OCC[N@H+]2CCC[C@H]2C(=O)OC(C)C)cc1 ZINC000533379607 435229368 /nfs/dbraw/zinc/22/93/68/435229368.db2.gz VRQULUGIRGVPGK-INIZCTEOSA-N 1 2 323.458 3.203 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000533482708 435241498 /nfs/dbraw/zinc/24/14/98/435241498.db2.gz HDXNSJZMASYAPR-CABCVRRESA-N 1 2 305.422 3.118 10 0 DGAELO C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000533482708 435241503 /nfs/dbraw/zinc/24/15/03/435241503.db2.gz 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CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000536642282 435395959 /nfs/dbraw/zinc/39/59/59/435395959.db2.gz QORHYRZUJFPTPZ-HNNXBMFYSA-N 1 2 320.433 3.175 10 0 DGAELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OC(C)(C)C)n1 ZINC000536642282 435395963 /nfs/dbraw/zinc/39/59/63/435395963.db2.gz QORHYRZUJFPTPZ-HNNXBMFYSA-N 1 2 320.433 3.175 10 0 DGAELO C/C=C/C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)C(=O)OCC ZINC000482441116 435465477 /nfs/dbraw/zinc/46/54/77/435465477.db2.gz SUCCOTWLMCIOHX-RCFWFJCLSA-N 1 2 317.429 3.042 10 0 DGAELO CC(C)CCOCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000537173223 435429051 /nfs/dbraw/zinc/42/90/51/435429051.db2.gz IZIAFXBHVHKJGV-GOSISDBHSA-N 1 2 319.424 3.301 10 0 DGAELO C[C@H]1CCN(c2nc3cc(F)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000247548933 299990434 /nfs/dbraw/zinc/99/04/34/299990434.db2.gz KIYRTOVZCDVJMB-SMDDNHRTSA-N 1 2 300.337 3.251 10 0 DGAELO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(C)n1C ZINC000548427154 435690861 /nfs/dbraw/zinc/69/08/61/435690861.db2.gz UVAUONVYKIPJLD-DGCLKSJQSA-N 1 2 302.340 3.097 10 0 DGAELO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(C)n1C ZINC000548427154 435690865 /nfs/dbraw/zinc/69/08/65/435690865.db2.gz UVAUONVYKIPJLD-DGCLKSJQSA-N 1 2 302.340 3.097 10 0 DGAELO Cc1cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(C)n1C ZINC000548427156 435691003 /nfs/dbraw/zinc/69/10/03/435691003.db2.gz UVAUONVYKIPJLD-YPMHNXCESA-N 1 2 302.340 3.097 10 0 DGAELO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(C)n1C ZINC000548427156 435691004 /nfs/dbraw/zinc/69/10/04/435691004.db2.gz UVAUONVYKIPJLD-YPMHNXCESA-N 1 2 302.340 3.097 10 0 DGAELO Cc1cccc2c1CC[C@@H]2NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000520616718 435760317 /nfs/dbraw/zinc/76/03/17/435760317.db2.gz PNNJGZREMFJNCH-KRWDZBQOSA-N 1 2 324.428 3.295 10 0 DGAELO CCN1CC[C@@H]([NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)C1=O ZINC000656672682 436001419 /nfs/dbraw/zinc/00/14/19/436001419.db2.gz FZLMNYXUADSYLU-LDYMZIIASA-N 1 2 319.207 3.404 10 0 DGAELO Cc1nc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)sc1C ZINC000178182113 312787198 /nfs/dbraw/zinc/78/71/98/312787198.db2.gz YIFUIGYUYWHSMM-LBPRGKRZSA-N 1 2 313.430 3.191 10 0 DGAELO CN(C)c1nc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)ns1 ZINC000179701289 312814589 /nfs/dbraw/zinc/81/45/89/312814589.db2.gz HMCHAQQNSJCAQV-AWEZNQCLSA-N 1 2 322.865 3.498 10 0 DGAELO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)c2c[nH]c3ncccc23)n1 ZINC000541651382 314030439 /nfs/dbraw/zinc/03/04/39/314030439.db2.gz PGAYCODLLAONNZ-QWRGUYRKSA-N 1 2 314.414 3.250 10 0 DGAELO Cc1[nH+]c2cc(NC(=O)c3cccc4nccnc43)ccc2n1C ZINC000541729691 314034395 /nfs/dbraw/zinc/03/43/95/314034395.db2.gz QSEVHKKKDCHPFX-UHFFFAOYSA-N 1 2 317.352 3.077 10 0 DGAELO COC(=O)[C@@H](c1c(F)cccc1Cl)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000543198878 314120583 /nfs/dbraw/zinc/12/05/83/314120583.db2.gz WEZRIOFVWHHFKA-XHDPSFHLSA-N 1 2 311.784 3.425 10 0 DGAELO COC(=O)[C@@H](c1c(F)cccc1Cl)[N@H+]1CC[C@H](C2CC2)C1 ZINC000543198878 314120585 /nfs/dbraw/zinc/12/05/85/314120585.db2.gz WEZRIOFVWHHFKA-XHDPSFHLSA-N 1 2 311.784 3.425 10 0 DGAELO c1ccc(-c2nc(C[NH2+][C@@H](c3cccnc3)C3CC3)no2)cc1 ZINC000543448771 314135424 /nfs/dbraw/zinc/13/54/24/314135424.db2.gz XPNQKBCTLRTJRL-QGZVFWFLSA-N 1 2 306.369 3.373 10 0 DGAELO C[C@H]1C[C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCO1 ZINC000547098855 314344543 /nfs/dbraw/zinc/34/45/43/314344543.db2.gz RXKNHLJODCNKMR-JSGCOSHPSA-N 1 2 310.357 3.205 10 0 DGAELO O[C@H]1C[C@H](c2ccccc2C(F)(F)F)[N@H+](Cc2ccno2)C1 ZINC000547771493 314393997 /nfs/dbraw/zinc/39/39/97/314393997.db2.gz VLWQYSMLEKXRLV-IINYFYTJSA-N 1 2 312.291 3.001 10 0 DGAELO O[C@H]1C[C@H](c2ccccc2C(F)(F)F)[N@@H+](Cc2ccno2)C1 ZINC000547771493 314394001 /nfs/dbraw/zinc/39/40/01/314394001.db2.gz VLWQYSMLEKXRLV-IINYFYTJSA-N 1 2 312.291 3.001 10 0 DGAELO c1nc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)oc1-c1ccccc1 ZINC000563071807 315075967 /nfs/dbraw/zinc/07/59/67/315075967.db2.gz GCYRZFIYHQXGLE-KRWDZBQOSA-N 1 2 316.426 3.050 10 0 DGAELO c1nc(C[N@H+]2CCO[C@@]3(CCSC3)C2)oc1-c1ccccc1 ZINC000563071807 315075971 /nfs/dbraw/zinc/07/59/71/315075971.db2.gz GCYRZFIYHQXGLE-KRWDZBQOSA-N 1 2 316.426 3.050 10 0 DGAELO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2c(Br)cnn2C)o1 ZINC000575062713 316030103 /nfs/dbraw/zinc/03/01/03/316030103.db2.gz BDEAHGJDBWOMFR-MWLCHTKSSA-N 1 2 324.222 3.189 10 0 DGAELO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)NCCC(C)(C)C ZINC000179898877 323216625 /nfs/dbraw/zinc/21/66/25/323216625.db2.gz NBEKQLAAPHXXNG-GFCCVEGCSA-N 1 2 310.413 3.037 10 0 DGAELO Cc1ccc(C[N@H+](CCO)Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000180847062 323239909 /nfs/dbraw/zinc/23/99/09/323239909.db2.gz DSDIEHXULRXFOV-UHFFFAOYSA-N 1 2 321.424 3.380 10 0 DGAELO Cc1ccc(C[N@@H+](CCO)Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000180847062 323239913 /nfs/dbraw/zinc/23/99/13/323239913.db2.gz DSDIEHXULRXFOV-UHFFFAOYSA-N 1 2 321.424 3.380 10 0 DGAELO Fc1cccc([C@@H](NCCCn2cc[nH+]c2)C(F)(F)F)c1F ZINC000181216634 323249477 /nfs/dbraw/zinc/24/94/77/323249477.db2.gz LXPWHENCIIZMTK-CYBMUJFWSA-N 1 2 319.277 3.445 10 0 DGAELO Fc1cccc([C@H](NCCCn2cc[nH+]c2)C(F)(F)F)c1F ZINC000181216617 323249778 /nfs/dbraw/zinc/24/97/78/323249778.db2.gz LXPWHENCIIZMTK-ZDUSSCGKSA-N 1 2 319.277 3.445 10 0 DGAELO CC(C)OCCCCNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000181570390 323259465 /nfs/dbraw/zinc/25/94/65/323259465.db2.gz JBUCBMMOKOYMDT-HNNXBMFYSA-N 1 2 306.454 3.330 10 0 DGAELO CC(C)OCCCCNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000181570390 323259470 /nfs/dbraw/zinc/25/94/70/323259470.db2.gz JBUCBMMOKOYMDT-HNNXBMFYSA-N 1 2 306.454 3.330 10 0 DGAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000182394496 323296905 /nfs/dbraw/zinc/29/69/05/323296905.db2.gz YCQJRVLYZMHSOP-LBPRGKRZSA-N 1 2 309.381 3.061 10 0 DGAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000182394496 323296906 /nfs/dbraw/zinc/29/69/06/323296906.db2.gz YCQJRVLYZMHSOP-LBPRGKRZSA-N 1 2 309.381 3.061 10 0 DGAELO CC[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1c(C)noc1C ZINC000182406259 323297683 /nfs/dbraw/zinc/29/76/83/323297683.db2.gz FZQYNVTVYSIFEI-LBPRGKRZSA-N 1 2 302.334 3.175 10 0 DGAELO Cn1cc[nH+]c1CN[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000182576619 323305360 /nfs/dbraw/zinc/30/53/60/323305360.db2.gz NZWUEARSEISNNI-LBPRGKRZSA-N 1 2 305.250 3.092 10 0 DGAELO CC[C@H]([NH2+]Cc1nsc(N(C)C)n1)c1cccc(Cl)c1 ZINC000182599392 323306075 /nfs/dbraw/zinc/30/60/75/323306075.db2.gz IWWZVSCRJKIDGQ-LBPRGKRZSA-N 1 2 310.854 3.498 10 0 DGAELO CC(C)c1cnc(C[NH+]2CCN(c3cccc(O)c3)CC2)s1 ZINC000182965212 323317841 /nfs/dbraw/zinc/31/78/41/323317841.db2.gz CBMXUANGHXIQRC-UHFFFAOYSA-N 1 2 317.458 3.294 10 0 DGAELO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](CC)c1nccs1 ZINC000185087652 323380489 /nfs/dbraw/zinc/38/04/89/323380489.db2.gz KUCFPSDLWMJHNE-NSHDSACASA-N 1 2 308.403 3.326 10 0 DGAELO CC[C@H]([NH2+]CC(=O)Nc1cccc(C)c1C)c1nccs1 ZINC000185074652 323380507 /nfs/dbraw/zinc/38/05/07/323380507.db2.gz DRAKPLXLWRHABB-ZDUSSCGKSA-N 1 2 303.431 3.439 10 0 DGAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000185931333 323399236 /nfs/dbraw/zinc/39/92/36/323399236.db2.gz UIWABWKIGSGFDC-AWEZNQCLSA-N 1 2 301.217 3.223 10 0 DGAELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000185931333 323399240 /nfs/dbraw/zinc/39/92/40/323399240.db2.gz UIWABWKIGSGFDC-AWEZNQCLSA-N 1 2 301.217 3.223 10 0 DGAELO O=C(NCc1ccc(C2CC2)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000189592423 323436539 /nfs/dbraw/zinc/43/65/39/323436539.db2.gz WMZIZDRSIOLEGU-UHFFFAOYSA-N 1 2 320.396 3.211 10 0 DGAELO CCOc1ccc(NC(=O)Cc2cccc3[nH+]ccn32)cc1F ZINC000584605521 337371519 /nfs/dbraw/zinc/37/15/19/337371519.db2.gz RRTXLQRJFHKYFP-UHFFFAOYSA-N 1 2 313.332 3.053 10 0 DGAELO CC(C)(CNc1cc[nH+]c(C2CC2)n1)c1ccc2c(c1)OCO2 ZINC000301280552 500602269 /nfs/dbraw/zinc/60/22/69/500602269.db2.gz XLAFKQOEVVLQPK-UHFFFAOYSA-N 1 2 311.385 3.472 10 0 DGAELO c1ccc(N2CCC[C@@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000432934649 534494794 /nfs/dbraw/zinc/49/47/94/534494794.db2.gz VZQJBBMADLYPHK-HNNXBMFYSA-N 1 2 308.429 3.104 10 0 DGAELO CCC(CC)(CC)CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000154724031 521391459 /nfs/dbraw/zinc/39/14/59/521391459.db2.gz FLYPSAFFSZTAIL-HNNXBMFYSA-N 1 2 306.454 3.274 10 0 DGAELO Cc1nc(NCCC[C@H]2CCCC[C@H]2O)c2c([nH+]1)CCCC2 ZINC000302082694 534622623 /nfs/dbraw/zinc/62/26/23/534622623.db2.gz JQTACJBWZJSBQJ-RHSMWYFYSA-N 1 2 303.450 3.407 10 0 DGAELO CCO[C@H](C)c1noc(CSCc2[nH+]ccn2C(C)C)n1 ZINC000175299902 528022695 /nfs/dbraw/zinc/02/26/95/528022695.db2.gz YPSBLHKBJFGXNL-LLVKDONJSA-N 1 2 310.423 3.378 10 0 DGAELO CC(C)c1noc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000302699213 528506496 /nfs/dbraw/zinc/50/64/96/528506496.db2.gz XCMUNHGRINFXLO-UHFFFAOYSA-N 1 2 320.824 3.317 10 0 DGAELO CC(C)c1noc(NCC[N@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000302699213 528506501 /nfs/dbraw/zinc/50/65/01/528506501.db2.gz XCMUNHGRINFXLO-UHFFFAOYSA-N 1 2 320.824 3.317 10 0 DGAELO CC(C)Cc1nsc(Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000302235486 528688612 /nfs/dbraw/zinc/68/86/12/528688612.db2.gz IECRLXUEESJTLV-UHFFFAOYSA-N 1 2 303.435 3.475 10 0 DGAELO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc2ccccc21 ZINC000132397180 528938855 /nfs/dbraw/zinc/93/88/55/528938855.db2.gz KTUZVHVWEHXOIE-UHFFFAOYSA-N 1 2 312.394 3.450 10 0 DGAELO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312746819 529167702 /nfs/dbraw/zinc/16/77/02/529167702.db2.gz ABRWNIUDBICEDM-JGVFFNPUSA-N 1 2 309.262 3.448 10 0 DGAELO c1ccc(-c2noc([C@@H]3CCCC[N@H+]3Cc3cncnc3)n2)cc1 ZINC000130811198 545952508 /nfs/dbraw/zinc/95/25/08/545952508.db2.gz RYADWTYVPPCRMP-INIZCTEOSA-N 1 2 321.384 3.254 10 0 DGAELO c1ccc(-c2noc([C@@H]3CCCC[N@@H+]3Cc3cncnc3)n2)cc1 ZINC000130811198 545952512 /nfs/dbraw/zinc/95/25/12/545952512.db2.gz RYADWTYVPPCRMP-INIZCTEOSA-N 1 2 321.384 3.254 10 0 DGAELO C[C@@H](c1ccccc1Br)[N@H+](C)Cc1cncnc1 ZINC000131010153 545954146 /nfs/dbraw/zinc/95/41/46/545954146.db2.gz AMKSOKWFPPMIRT-NSHDSACASA-N 1 2 306.207 3.432 10 0 DGAELO C[C@@H](c1ccccc1Br)[N@@H+](C)Cc1cncnc1 ZINC000131010153 545954151 /nfs/dbraw/zinc/95/41/51/545954151.db2.gz AMKSOKWFPPMIRT-NSHDSACASA-N 1 2 306.207 3.432 10 0 DGAELO Cc1cc(F)c(C(=O)NCc2[nH+]ccn2CC(C)C)cc1F ZINC000134402693 545972482 /nfs/dbraw/zinc/97/24/82/545972482.db2.gz FIWOUQFXSZZZKZ-UHFFFAOYSA-N 1 2 307.344 3.056 10 0 DGAELO Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCCn2ncnc21 ZINC000178356807 546128845 /nfs/dbraw/zinc/12/88/45/546128845.db2.gz JAKASGRGWILLCS-QWHCGFSZSA-N 1 2 304.394 3.079 10 0 DGAELO C[N@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(F)cc1 ZINC000181044267 546151497 /nfs/dbraw/zinc/15/14/97/546151497.db2.gz IETPHZCNEVEJGM-UHFFFAOYSA-N 1 2 300.381 3.262 10 0 DGAELO C[N@@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(F)cc1 ZINC000181044267 546151502 /nfs/dbraw/zinc/15/15/02/546151502.db2.gz IETPHZCNEVEJGM-UHFFFAOYSA-N 1 2 300.381 3.262 10 0 DGAELO C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccc(F)c(F)c1 ZINC000181630178 546159319 /nfs/dbraw/zinc/15/93/19/546159319.db2.gz KLZRTUSPGKKEFJ-VIFPVBQESA-N 1 2 305.284 3.459 10 0 DGAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)C2 ZINC000220593286 546265025 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CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C/C(C)=C\c2ccccc2)C1 ZINC000588619630 547027109 /nfs/dbraw/zinc/02/71/09/547027109.db2.gz VSVIFIZTPMLCJL-RKXUAZDKSA-N 1 2 313.401 3.243 10 0 DGAELO C/C(=C\C(=O)NCc1cn2ccccc2[nH+]1)c1cccc(F)c1 ZINC000732053197 574565533 /nfs/dbraw/zinc/56/55/33/574565533.db2.gz YNPOOFYHFMRSKI-UKTHLTGXSA-N 1 2 309.344 3.193 10 0 DGAELO Cc1cc(C)c(NC(=O)c2cc(Cl)nc(N(C)C)c2)c(C)[nH+]1 ZINC000733095222 574596508 /nfs/dbraw/zinc/59/65/08/574596508.db2.gz WOZNPEMKOFZSGO-UHFFFAOYSA-N 1 2 318.808 3.374 10 0 DGAELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Cl)nc1Cl ZINC000737554039 574850061 /nfs/dbraw/zinc/85/00/61/574850061.db2.gz FWCVQCNGGXFOTL-UHFFFAOYSA-N 1 2 307.140 3.288 10 0 DGAELO C/C(=C/C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000742856945 575022705 /nfs/dbraw/zinc/02/27/05/575022705.db2.gz AOSMUKNAXLPFDI-BHEFUSTPSA-N 1 2 309.413 3.176 10 0 DGAELO C[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)cc(F)c1O ZINC000185386924 660221134 /nfs/dbraw/zinc/22/11/34/660221134.db2.gz PJRAZHAGPBQWDF-PSASIEDQSA-N 1 2 318.186 3.123 10 0 DGAELO C[C@@H]([NH2+][C@H]1CCCOC1)c1cc(Br)cc(F)c1O ZINC000185386951 660221288 /nfs/dbraw/zinc/22/12/88/660221288.db2.gz PJRAZHAGPBQWDF-SCZZXKLOSA-N 1 2 318.186 3.123 10 0 DGAELO C[NH+](C)c1ccc(NCC2CC(NC(=O)OC(C)(C)C)C2)cc1 ZINC000711456214 660954060 /nfs/dbraw/zinc/95/40/60/660954060.db2.gz MHNBSRIFDCRWDS-UHFFFAOYSA-N 1 2 319.449 3.468 10 0 DGAELO CN(C)c1ccc([NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)cc1 ZINC000711456214 660954062 /nfs/dbraw/zinc/95/40/62/660954062.db2.gz MHNBSRIFDCRWDS-UHFFFAOYSA-N 1 2 319.449 3.468 10 0 DGAELO Cc1cn(C)nc1C[NH2+][C@H](C)c1ccccc1Br ZINC000723505979 655698090 /nfs/dbraw/zinc/69/80/90/655698090.db2.gz AAUZJRIGSLOISA-LLVKDONJSA-N 1 2 308.223 3.342 10 0 DGAELO Cc1cccc(CCCOCCOC(=O)/C=C\c2ccco2)[nH+]1 ZINC000255388936 655726290 /nfs/dbraw/zinc/72/62/90/655726290.db2.gz SRRWTWZHNWHDHV-KTKRTIGZSA-N 1 2 315.369 3.189 10 0 DGAELO CC(C)[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)c1ccc(Cl)cc1 ZINC000724738267 655810605 /nfs/dbraw/zinc/81/06/05/655810605.db2.gz GSYCLQJPBZZGEO-YPMHNXCESA-N 1 2 304.768 3.136 10 0 DGAELO CC(C)[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)c1ccc(Cl)cc1 ZINC000724738266 655810841 /nfs/dbraw/zinc/81/08/41/655810841.db2.gz GSYCLQJPBZZGEO-WCQYABFASA-N 1 2 304.768 3.136 10 0 DGAELO CCc1cccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000161935932 655832150 /nfs/dbraw/zinc/83/21/50/655832150.db2.gz ASXMTUAFYZPLAB-UHFFFAOYSA-N 1 2 319.408 3.294 10 0 DGAELO C[C@@H]([NH2+]Cc1ncc(Br)s1)c1cncs1 ZINC000714912693 661204584 /nfs/dbraw/zinc/20/45/84/661204584.db2.gz KZYNLDIDRKRHDF-ZCFIWIBFSA-N 1 2 304.238 3.213 10 0 DGAELO Oc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1F ZINC000714936769 661204730 /nfs/dbraw/zinc/20/47/30/661204730.db2.gz LYQMHJSOIZWBTO-UHFFFAOYSA-N 1 2 317.183 3.040 10 0 DGAELO CCCCC[C@H](CC)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000180635808 656094073 /nfs/dbraw/zinc/09/40/73/656094073.db2.gz SVLNYHHBXNOJRH-ROUUACIJSA-N 1 2 324.509 3.306 10 0 DGAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000249882562 657436327 /nfs/dbraw/zinc/43/63/27/657436327.db2.gz HTYBOAQCHUZNKV-XUJVJEKNSA-N 1 2 322.453 3.014 10 0 DGAELO COCCCNc1nc(N2CCCCCC2)[nH+]c2ccccc21 ZINC000096195311 657510368 /nfs/dbraw/zinc/51/03/68/657510368.db2.gz PCINSOSECXVYEF-UHFFFAOYSA-N 1 2 314.433 3.459 10 0 DGAELO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccc(C(F)(F)F)s1 ZINC000720606183 658014233 /nfs/dbraw/zinc/01/42/33/658014233.db2.gz JUYVTTRKAXLYSG-JGVFFNPUSA-N 1 2 304.341 3.307 10 0 DGAELO CC(C)(C)OC(=O)NCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000226799699 659139625 /nfs/dbraw/zinc/13/96/25/659139625.db2.gz LBWKZZXIJRMSAF-UHFFFAOYSA-N 1 2 319.327 3.427 10 0 DGAELO S=c1n(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)ncn1C1CC1 ZINC000172952235 659366908 /nfs/dbraw/zinc/36/69/08/659366908.db2.gz ASKIHZGWMFKHQE-HNNXBMFYSA-N 1 2 322.478 3.130 10 0 DGAELO S=c1n(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)ncn1C1CC1 ZINC000172952235 659366912 /nfs/dbraw/zinc/36/69/12/659366912.db2.gz ASKIHZGWMFKHQE-HNNXBMFYSA-N 1 2 322.478 3.130 10 0 DGAELO CCCCOC(=O)CC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000174241606 659422260 /nfs/dbraw/zinc/42/22/60/659422260.db2.gz JJWLRGJYVNIGGZ-UHFFFAOYSA-N 1 2 323.437 3.285 10 0 DGAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174586728 659440414 /nfs/dbraw/zinc/44/04/14/659440414.db2.gz NWBSVHPKSXGBET-UKRRQHHQSA-N 1 2 323.868 3.346 10 0 DGAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174586728 659440416 /nfs/dbraw/zinc/44/04/16/659440416.db2.gz NWBSVHPKSXGBET-UKRRQHHQSA-N 1 2 323.868 3.346 10 0 DGAELO O=C(OCCOc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181061132 659977806 /nfs/dbraw/zinc/97/78/06/659977806.db2.gz SDLRVUIZVSXXCB-UHFFFAOYSA-N 1 2 308.337 3.108 10 0 DGAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(Cl)c1O ZINC000183387166 660109728 /nfs/dbraw/zinc/10/97/28/660109728.db2.gz JKVDQHVYHQISBL-CQDKDKBSSA-N 1 2 323.820 3.352 10 0 DGAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(Cl)c1O ZINC000183387166 660109730 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CC[C@H](C[NH2+][C@H](C(=O)OC)C1CC1)Oc1cccc(Cl)c1 ZINC000513431056 435389309 /nfs/dbraw/zinc/38/93/09/435389309.db2.gz CNOYNBHBGWJDCU-HIFRSBDPSA-N 1 2 311.809 3.039 10 0 DGAELO COC(=O)[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccc(C)cc1)C1CC1 ZINC000513458259 435389743 /nfs/dbraw/zinc/38/97/43/435389743.db2.gz OZSVYUUZFIKHGD-KURKYZTESA-N 1 2 317.429 3.004 10 0 DGAELO c1[nH+]c2ccccn2c1CSc1n[nH]c(-c2ccccc2)n1 ZINC000537428608 435442223 /nfs/dbraw/zinc/44/22/23/435442223.db2.gz FKDNKNVPBWNISY-UHFFFAOYSA-N 1 2 307.382 3.412 10 0 DGAELO c1cn(Cc2nc(COc3ccc4ccccc4c3)no2)c[nH+]1 ZINC000569060354 435498482 /nfs/dbraw/zinc/49/84/82/435498482.db2.gz PDYSGIXVXQZISB-UHFFFAOYSA-N 1 2 306.325 3.047 10 0 DGAELO c1sc(-c2ccccc2)nc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000485714450 435577601 /nfs/dbraw/zinc/57/76/01/435577601.db2.gz UXRVTZGIWZDSDA-MRXNPFEDSA-N 1 2 300.427 3.421 10 0 DGAELO c1sc(-c2ccccc2)nc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000485714450 435577604 /nfs/dbraw/zinc/57/76/04/435577604.db2.gz 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c1ccc2c(c1)nc(CNc1cc(NC3CC3)nc[nH+]1)n2C1CC1 ZINC000566960762 315386528 /nfs/dbraw/zinc/38/65/28/315386528.db2.gz GOQWZQQFCOFRBS-UHFFFAOYSA-N 1 2 320.400 3.348 10 0 DGAELO c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@@H]([C@@H]4CCOC4)C3)c21 ZINC000574999257 316022967 /nfs/dbraw/zinc/02/29/67/316022967.db2.gz MVELLJJYACEHII-ZIAGYGMSSA-N 1 2 322.412 3.364 10 0 DGAELO C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCN(C2CC2)CC1 ZINC000575600904 316054537 /nfs/dbraw/zinc/05/45/37/316054537.db2.gz WUHMWLMQYYZELL-OWBHPGMISA-N 1 2 322.399 3.471 10 0 DGAELO Cc1nc(C2([NH2+]CCO[C@H]3CCCCO3)CCCCCC2)no1 ZINC000576099015 316094419 /nfs/dbraw/zinc/09/44/19/316094419.db2.gz GXWIEQKPUZVLFK-HNNXBMFYSA-N 1 2 323.437 3.060 10 0 DGAELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000578000375 316292691 /nfs/dbraw/zinc/29/26/91/316292691.db2.gz AZFFWTGAUWAATE-SFHVURJKSA-N 1 2 317.429 3.391 10 0 DGAELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000578000375 316292695 /nfs/dbraw/zinc/29/26/95/316292695.db2.gz 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DGAELO c1ccc(N[C@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000156986745 526482924 /nfs/dbraw/zinc/48/29/24/526482924.db2.gz LRRUCYNVWZRFQO-INIZCTEOSA-N 1 2 312.417 3.414 10 0 DGAELO c1ccc(N[C@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)cc1 ZINC000156986745 526482931 /nfs/dbraw/zinc/48/29/31/526482931.db2.gz LRRUCYNVWZRFQO-INIZCTEOSA-N 1 2 312.417 3.414 10 0 DGAELO CC(C)n1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000172332603 528594418 /nfs/dbraw/zinc/59/44/18/528594418.db2.gz ILTCOIQBOHABNH-UHFFFAOYSA-N 1 2 318.852 3.440 10 0 DGAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000176883357 528609893 /nfs/dbraw/zinc/60/98/93/528609893.db2.gz WSIGBPGLKAEOML-SAHAZLINSA-N 1 2 324.450 3.154 10 0 DGAELO CC[C@H]1CC[N@@H+]1Cc1ccc(I)cc1 ZINC000429271723 529245800 /nfs/dbraw/zinc/24/58/00/529245800.db2.gz BJDSOFJBFICTKW-LBPRGKRZSA-N 1 2 301.171 3.276 10 0 DGAELO CC[C@H]1CC[N@H+]1Cc1ccc(I)cc1 ZINC000429271723 529245801 /nfs/dbraw/zinc/24/58/01/529245801.db2.gz BJDSOFJBFICTKW-LBPRGKRZSA-N 1 2 301.171 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DGAELO C[C@@H]1C[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC000182328123 432178563 /nfs/dbraw/zinc/17/85/63/432178563.db2.gz JUXKUIKJHWMFTQ-CVEARBPZSA-N 1 2 315.461 3.193 10 0 DGAELO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 ZINC000246952790 432185032 /nfs/dbraw/zinc/18/50/32/432185032.db2.gz RFNQXYMETPVHSW-DYVFJYSZSA-N 1 2 316.376 3.191 10 0 DGAELO COc1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 ZINC000246952790 432185035 /nfs/dbraw/zinc/18/50/35/432185035.db2.gz RFNQXYMETPVHSW-DYVFJYSZSA-N 1 2 316.376 3.191 10 0 DGAELO CCn1cc([C@H]2C[N@@H+]([C@@H](C)c3ccccc3F)CCO2)cn1 ZINC000190790240 432189310 /nfs/dbraw/zinc/18/93/10/432189310.db2.gz GDNZUGGBUMECOI-SUMWQHHRSA-N 1 2 303.381 3.177 10 0 DGAELO CCn1cc([C@H]2C[N@H+]([C@@H](C)c3ccccc3F)CCO2)cn1 ZINC000190790240 432189313 /nfs/dbraw/zinc/18/93/13/432189313.db2.gz GDNZUGGBUMECOI-SUMWQHHRSA-N 1 2 303.381 3.177 10 0 DGAELO CSc1ccc(C)c(C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000130945249 196125217 /nfs/dbraw/zinc/12/52/17/196125217.db2.gz ULODTLWJYVFONY-UHFFFAOYSA-N 1 2 317.458 3.499 10 0 DGAELO CCn1nccc1C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000131124245 196141254 /nfs/dbraw/zinc/14/12/54/196141254.db2.gz VTICREZZFVOSHI-QFBILLFUSA-N 1 2 313.445 3.482 10 0 DGAELO CCn1nccc1C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000131124245 196141256 /nfs/dbraw/zinc/14/12/56/196141256.db2.gz VTICREZZFVOSHI-QFBILLFUSA-N 1 2 313.445 3.482 10 0 DGAELO Cn1cc([C@H]2CCC[N@@H+]2Cc2nc3cc(F)ccc3o2)cn1 ZINC000151019312 432211405 /nfs/dbraw/zinc/21/14/05/432211405.db2.gz SJOWUXMKJKVCPJ-CQSZACIVSA-N 1 2 300.337 3.038 10 0 DGAELO Cn1cc([C@H]2CCC[N@H+]2Cc2nc3cc(F)ccc3o2)cn1 ZINC000151019312 432211410 /nfs/dbraw/zinc/21/14/10/432211410.db2.gz SJOWUXMKJKVCPJ-CQSZACIVSA-N 1 2 300.337 3.038 10 0 DGAELO CC[C@@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)c1nccs1 ZINC000172481574 432216100 /nfs/dbraw/zinc/21/61/00/432216100.db2.gz YEKMBMWJLGYDHE-GFCCVEGCSA-N 1 2 314.414 3.069 10 0 DGAELO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)c2ccccc2n1 ZINC000182757013 432225563 /nfs/dbraw/zinc/22/55/63/432225563.db2.gz SLMNOOLQNCIQRW-QGZVFWFLSA-N 1 2 307.401 3.389 10 0 DGAELO Cc1cc(C[N@H+]2CCCC[C@@H]2c2nnc[nH]2)c2ccccc2n1 ZINC000182757013 432225567 /nfs/dbraw/zinc/22/55/67/432225567.db2.gz SLMNOOLQNCIQRW-QGZVFWFLSA-N 1 2 307.401 3.389 10 0 DGAELO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H](C)c3cccc(F)c3)CCO2)n1 ZINC000247386399 432226772 /nfs/dbraw/zinc/22/67/72/432226772.db2.gz WNDRDWHYGQQJOO-CRAIPNDOSA-N 1 2 317.408 3.101 10 0 DGAELO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@H](C)c3cccc(F)c3)CCO2)n1 ZINC000247386399 432226775 /nfs/dbraw/zinc/22/67/75/432226775.db2.gz WNDRDWHYGQQJOO-CRAIPNDOSA-N 1 2 317.408 3.101 10 0 DGAELO Cc1ccccc1SCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000131437438 196168642 /nfs/dbraw/zinc/16/86/42/196168642.db2.gz KGIXNQVHGQWGCM-UHFFFAOYSA-N 1 2 317.458 3.256 10 0 DGAELO COc1cccc2c1CC[N@H+](CC(=O)Nc1cccc(C)c1)C2 ZINC000182677800 432216733 /nfs/dbraw/zinc/21/67/33/432216733.db2.gz FHNQBCQAXBHWOH-UHFFFAOYSA-N 1 2 310.397 3.000 10 0 DGAELO COc1cccc2c1CC[N@@H+](CC(=O)Nc1cccc(C)c1)C2 ZINC000182677800 432216737 /nfs/dbraw/zinc/21/67/37/432216737.db2.gz FHNQBCQAXBHWOH-UHFFFAOYSA-N 1 2 310.397 3.000 10 0 DGAELO CCc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)oc1CC ZINC000132758935 196280808 /nfs/dbraw/zinc/28/08/08/196280808.db2.gz JUDNDQPAGSHQEV-UKRRQHHQSA-N 1 2 315.417 3.324 10 0 DGAELO Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)c(C)[nH+]1 ZINC000176190354 228310124 /nfs/dbraw/zinc/31/01/24/228310124.db2.gz VROQDVUSITULLX-UHFFFAOYSA-N 1 2 312.369 3.041 10 0 DGAELO COC[C@H](Nc1cc(C)[nH+]c(-c2ccncc2)n1)c1ccco1 ZINC000176964336 228322530 /nfs/dbraw/zinc/32/25/30/228322530.db2.gz ZMCMWPQNXUYZMO-AWEZNQCLSA-N 1 2 310.357 3.240 10 0 DGAELO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)s1 ZINC000178015584 228336246 /nfs/dbraw/zinc/33/62/46/228336246.db2.gz FXPDNLKHBWCWNY-OAHLLOKOSA-N 1 2 304.415 3.039 10 0 DGAELO Cc1nc(C)c(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)s1 ZINC000178015584 228336248 /nfs/dbraw/zinc/33/62/48/228336248.db2.gz FXPDNLKHBWCWNY-OAHLLOKOSA-N 1 2 304.415 3.039 10 0 DGAELO CC[C@@H]1C[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C[C@@H](C)O1 ZINC000247409121 432229329 /nfs/dbraw/zinc/22/93/29/432229329.db2.gz CBYPKYVGWUIEOO-UKRRQHHQSA-N 1 2 316.401 3.350 10 0 DGAELO CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C[C@@H](C)O1 ZINC000247409121 432229333 /nfs/dbraw/zinc/22/93/33/432229333.db2.gz CBYPKYVGWUIEOO-UKRRQHHQSA-N 1 2 316.401 3.350 10 0 DGAELO CCc1nc(C[NH+]2CCC(Oc3ccc(C)cn3)CC2)cs1 ZINC000182838967 432235483 /nfs/dbraw/zinc/23/54/83/432235483.db2.gz BXLGGTDMASEJNA-UHFFFAOYSA-N 1 2 317.458 3.452 10 0 DGAELO Cc1ccc([C@@H]2C[C@@H](C)CCN2c2[nH+]cnc3c2cnn3C)o1 ZINC000172813700 432237495 /nfs/dbraw/zinc/23/74/95/432237495.db2.gz OPPOMZKOYVXQTQ-FZMZJTMJSA-N 1 2 311.389 3.242 10 0 DGAELO Cc1ccc(C(=O)NCc2[nH+]ccn2CC(C)C)c(Cl)c1 ZINC000191261480 432240288 /nfs/dbraw/zinc/24/02/88/432240288.db2.gz VURUASCZOWOSTR-UHFFFAOYSA-N 1 2 305.809 3.431 10 0 DGAELO C[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@H]3C3CCCCC3)sc2C1 ZINC000247536916 432240487 /nfs/dbraw/zinc/24/04/87/432240487.db2.gz XSSFMOJIZVECSX-STQMWFEESA-N 1 2 319.474 3.286 10 0 DGAELO C[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@H]3C3CCCCC3)sc2C1 ZINC000247536916 432240491 /nfs/dbraw/zinc/24/04/91/432240491.db2.gz XSSFMOJIZVECSX-STQMWFEESA-N 1 2 319.474 3.286 10 0 DGAELO Cc1[nH+]c2ccccc2n1CCNC(=O)NCCC1CCCC1 ZINC000045117322 270950943 /nfs/dbraw/zinc/95/09/43/270950943.db2.gz OVIUQUSREPDXDC-UHFFFAOYSA-N 1 2 314.433 3.224 10 0 DGAELO c1nnc([C@H]([NH2+]CCSCc2ccccc2)c2ccccc2)[nH]1 ZINC000369076697 271237685 /nfs/dbraw/zinc/23/76/85/271237685.db2.gz LATHMQTZYUSGAV-QGZVFWFLSA-N 1 2 324.453 3.417 10 0 DGAELO CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369642801 271303481 /nfs/dbraw/zinc/30/34/81/271303481.db2.gz YJBPLVNSSLULJZ-RDBSUJKOSA-N 1 2 303.450 3.333 10 0 DGAELO CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369642801 271303485 /nfs/dbraw/zinc/30/34/85/271303485.db2.gz YJBPLVNSSLULJZ-RDBSUJKOSA-N 1 2 303.450 3.333 10 0 DGAELO Cc1nccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000369797017 271318006 /nfs/dbraw/zinc/31/80/06/271318006.db2.gz REEVYINNCPGKCB-UHFFFAOYSA-N 1 2 317.396 3.312 10 0 DGAELO c1cn(-c2ccccc2)c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000191367928 432254946 /nfs/dbraw/zinc/25/49/46/432254946.db2.gz JTDOHFJTQHPFIV-QGZVFWFLSA-N 1 2 307.401 3.323 10 0 DGAELO c1cn(-c2ccccc2)c(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000191367928 432254951 /nfs/dbraw/zinc/25/49/51/432254951.db2.gz JTDOHFJTQHPFIV-QGZVFWFLSA-N 1 2 307.401 3.323 10 0 DGAELO C[C@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCO1 ZINC000270530675 432254958 /nfs/dbraw/zinc/25/49/58/432254958.db2.gz VLUGJXPXGJVMFO-LJQANCHMSA-N 1 2 323.396 3.109 10 0 DGAELO c1cn(C2CCSCC2)nc1NCc1cn2ccccc2[nH+]1 ZINC000631202642 429978029 /nfs/dbraw/zinc/97/80/29/429978029.db2.gz AIOMBNLBKUSSPS-UHFFFAOYSA-N 1 2 313.430 3.211 10 0 DGAELO c1[nH+]cn2c1c(N[C@@H]1CCC[C@H]3OCC[C@@H]31)nc1ccccc12 ZINC000624037246 429930388 /nfs/dbraw/zinc/93/03/88/429930388.db2.gz SAIWRAXEKIYABI-PBFPGSCMSA-N 1 2 308.385 3.252 10 0 DGAELO c1[nH+]cn2c1c(NCc1nnc(C3CC3)s1)nc1ccccc12 ZINC000624285566 429932284 /nfs/dbraw/zinc/93/22/84/429932284.db2.gz WMUQEZDLMRSRMP-UHFFFAOYSA-N 1 2 322.397 3.224 10 0 DGAELO Cc1nc(NCc2cccc(C(=O)N3CCC34CCC4)c2)cc[nH+]1 ZINC000541729323 430189859 /nfs/dbraw/zinc/18/98/59/430189859.db2.gz FDHUTVRSBAJKBN-UHFFFAOYSA-N 1 2 322.412 3.166 10 0 DGAELO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245423707 277363406 /nfs/dbraw/zinc/36/34/06/277363406.db2.gz RFPHRSLYQLXSQH-JYJNAYRXSA-N 1 2 303.450 3.482 10 0 DGAELO CC[N@@H+](Cc1cnc(CC(C)C)s1)C[C@H](O)C(F)(F)F ZINC000189872510 279242189 /nfs/dbraw/zinc/24/21/89/279242189.db2.gz USJRXTKLGSYVCU-NSHDSACASA-N 1 2 310.385 3.087 10 0 DGAELO CC[N@H+](Cc1cnc(CC(C)C)s1)C[C@H](O)C(F)(F)F ZINC000189872510 279242191 /nfs/dbraw/zinc/24/21/91/279242191.db2.gz USJRXTKLGSYVCU-NSHDSACASA-N 1 2 310.385 3.087 10 0 DGAELO COc1ccccc1[C@H]([NH2+]Cc1cncnc1)c1ccccc1 ZINC000108421236 431143200 /nfs/dbraw/zinc/14/32/00/431143200.db2.gz RGZMDVYELAEKOT-LJQANCHMSA-N 1 2 305.381 3.364 10 0 DGAELO COc1ccccc1CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000110111686 431181596 /nfs/dbraw/zinc/18/15/96/431181596.db2.gz APMVUAQRAJVHLD-AWEZNQCLSA-N 1 2 312.417 3.334 10 0 DGAELO COc1ccccc1CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000110111686 431181607 /nfs/dbraw/zinc/18/16/07/431181607.db2.gz APMVUAQRAJVHLD-AWEZNQCLSA-N 1 2 312.417 3.334 10 0 DGAELO CC(=O)NCCC[N@@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000111697115 431233347 /nfs/dbraw/zinc/23/33/47/431233347.db2.gz JKBISCRKVGQQOS-MRXNPFEDSA-N 1 2 324.852 3.018 10 0 DGAELO CC(=O)NCCC[N@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000111697115 431233357 /nfs/dbraw/zinc/23/33/57/431233357.db2.gz JKBISCRKVGQQOS-MRXNPFEDSA-N 1 2 324.852 3.018 10 0 DGAELO Cc1ccc(CCC(=O)NCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000071435452 431279690 /nfs/dbraw/zinc/27/96/90/431279690.db2.gz BDMUHZLQALNWTB-UHFFFAOYSA-N 1 2 307.397 3.200 10 0 DGAELO c1cc2c(c([C@@H]3CCCN3c3cc[nH+]c(C4CC4)n3)c1)OCCO2 ZINC000112555536 431285564 /nfs/dbraw/zinc/28/55/64/431285564.db2.gz XPHVUJZWBFRYMG-HNNXBMFYSA-N 1 2 323.396 3.467 10 0 DGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(F)ccc1F)C2 ZINC000112665486 431294731 /nfs/dbraw/zinc/29/47/31/431294731.db2.gz GWAGLHQUGFRKEM-UHFFFAOYSA-N 1 2 319.355 3.020 10 0 DGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc(Cl)c1)C2 ZINC000112667046 431294763 /nfs/dbraw/zinc/29/47/63/431294763.db2.gz PIJWSOXLTCBZQI-UHFFFAOYSA-N 1 2 317.820 3.395 10 0 DGAELO CCCCS[C@@H](C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112667242 431294891 /nfs/dbraw/zinc/29/48/91/431294891.db2.gz SSPRYLKTPSQDIA-ZDUSSCGKSA-N 1 2 323.506 3.350 10 0 DGAELO CC(C)(C(=O)NCCc1cn2ccccc2[nH+]1)c1cccs1 ZINC000115016109 431421843 /nfs/dbraw/zinc/42/18/43/431421843.db2.gz SJWVTIQSPDWPSZ-UHFFFAOYSA-N 1 2 313.426 3.032 10 0 DGAELO CCc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114202396 431378240 /nfs/dbraw/zinc/37/82/40/431378240.db2.gz DQCBVCPPUNOCLA-KRWDZBQOSA-N 1 2 312.417 3.138 10 0 DGAELO CCc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114202396 431378244 /nfs/dbraw/zinc/37/82/44/431378244.db2.gz DQCBVCPPUNOCLA-KRWDZBQOSA-N 1 2 312.417 3.138 10 0 DGAELO c1csc(-c2noc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)n2)c1 ZINC000114201487 431379981 /nfs/dbraw/zinc/37/99/81/431379981.db2.gz ALICGVIKKZSMEU-GFCCVEGCSA-N 1 2 315.402 3.248 10 0 DGAELO c1csc(-c2noc(C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)n2)c1 ZINC000114201487 431379990 /nfs/dbraw/zinc/37/99/90/431379990.db2.gz ALICGVIKKZSMEU-GFCCVEGCSA-N 1 2 315.402 3.248 10 0 DGAELO C[C@H](CC1CCCC1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000114316892 431381928 /nfs/dbraw/zinc/38/19/28/431381928.db2.gz VKHUCSYVJANHAP-CQSZACIVSA-N 1 2 312.417 3.100 10 0 DGAELO O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@]2(CC=CCC2)C1 ZINC000114436197 431388529 /nfs/dbraw/zinc/38/85/29/431388529.db2.gz FJEBWYWRRMQYFQ-LJQANCHMSA-N 1 2 309.413 3.226 10 0 DGAELO CCOc1ccccc1C[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000114725097 431407312 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CCO[C@@H](C)c1nc(CN(C)Cc2[nH+]ccn2CC)cs1 ZINC000075888068 431503788 /nfs/dbraw/zinc/50/37/88/431503788.db2.gz QQFIIWMMZOQORG-LBPRGKRZSA-N 1 2 308.451 3.089 10 0 DGAELO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116295896 431505544 /nfs/dbraw/zinc/50/55/44/431505544.db2.gz JJUVHHVBUYOCCT-HNNXBMFYSA-N 1 2 300.358 3.064 10 0 DGAELO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116295896 431505551 /nfs/dbraw/zinc/50/55/51/431505551.db2.gz JJUVHHVBUYOCCT-HNNXBMFYSA-N 1 2 300.358 3.064 10 0 DGAELO Cc1cc(N2CCS[C@@H](C)[C@@H]2C)nc(-c2ccncc2)[nH+]1 ZINC000118385790 431601121 /nfs/dbraw/zinc/60/11/21/431601121.db2.gz VSFMNDZMJWHOMC-STQMWFEESA-N 1 2 300.431 3.177 10 0 DGAELO CC1(C)CCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000077382446 431590700 /nfs/dbraw/zinc/59/07/00/431590700.db2.gz AIMLQOGGGAAASG-UHFFFAOYSA-N 1 2 311.223 3.262 10 0 DGAELO CC1(C)CCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000077382446 431590706 /nfs/dbraw/zinc/59/07/06/431590706.db2.gz AIMLQOGGGAAASG-UHFFFAOYSA-N 1 2 311.223 3.262 10 0 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c1ccc2nc(NCCNc3cc[nH+]c(C4CC4)n3)ccc2c1 ZINC000301245343 433466009 /nfs/dbraw/zinc/46/60/09/433466009.db2.gz PULTZQDFONLMNT-UHFFFAOYSA-N 1 2 305.385 3.426 10 0 DGAELO C[C@@]1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC=CCC1 ZINC000448661047 433477583 /nfs/dbraw/zinc/47/75/83/433477583.db2.gz NIUKUYAVNXBNTI-LJQANCHMSA-N 1 2 309.413 3.294 10 0 DGAELO CCc1cc(N(C)[C@@H](C)CSC)nc(-c2ccncc2)[nH+]1 ZINC000301331770 433511053 /nfs/dbraw/zinc/51/10/53/433511053.db2.gz LQYKKILRJKXTCE-LBPRGKRZSA-N 1 2 302.447 3.289 10 0 DGAELO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000362194181 433574431 /nfs/dbraw/zinc/57/44/31/433574431.db2.gz AVYIYQSSNYYHOI-ZDUSSCGKSA-N 1 2 306.406 3.106 10 0 DGAELO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000362194181 433574440 /nfs/dbraw/zinc/57/44/40/433574440.db2.gz AVYIYQSSNYYHOI-ZDUSSCGKSA-N 1 2 306.406 3.106 10 0 DGAELO c1cc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](C3CCC3)C2)cs1 ZINC000414471275 433631883 /nfs/dbraw/zinc/63/18/83/433631883.db2.gz 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10 0 DGAELO COc1ccc([C@H]([NH2+]Cc2cnccc2C)c2nccn2C)cc1 ZINC000373389560 293269100 /nfs/dbraw/zinc/26/91/00/293269100.db2.gz DHBKBIINQUMECP-SFHVURJKSA-N 1 2 322.412 3.011 10 0 DGAELO CC(C)(C)c1nc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cs1 ZINC000373499602 293282875 /nfs/dbraw/zinc/28/28/75/293282875.db2.gz ZINALHIAMMMLJU-QGZVFWFLSA-N 1 2 324.490 3.211 10 0 DGAELO CC(C)(C)c1nc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cs1 ZINC000373499602 293282878 /nfs/dbraw/zinc/28/28/78/293282878.db2.gz ZINALHIAMMMLJU-QGZVFWFLSA-N 1 2 324.490 3.211 10 0 DGAELO OCCN(Cc1ccsc1)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301842562 433752154 /nfs/dbraw/zinc/75/21/54/433752154.db2.gz QJQREKBCIPBDSF-UHFFFAOYSA-N 1 2 302.321 3.161 10 0 DGAELO c1ccc2[nH+]c(NCc3ccnc(O[C@@H]4CCOC4)c3)ccc2c1 ZINC000301902211 433787216 /nfs/dbraw/zinc/78/72/16/433787216.db2.gz WEWRTCQTNDOYQE-MRXNPFEDSA-N 1 2 321.380 3.410 10 0 DGAELO CCCc1occc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000376131461 293617856 /nfs/dbraw/zinc/61/78/56/293617856.db2.gz 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Cc1ccc(/C=C\CC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000255162999 546334554 /nfs/dbraw/zinc/33/45/54/546334554.db2.gz GNGKVKZKHYCCIP-IHWYPQMZSA-N 1 2 309.413 3.459 10 0 DGAELO C/C(=C\C(=O)NCc1ccc(N(C)C)[nH+]c1)c1cccc(F)c1 ZINC000732056847 574565903 /nfs/dbraw/zinc/56/59/03/574565903.db2.gz JDZUVXZOEDPAOG-UKTHLTGXSA-N 1 2 313.376 3.006 10 0 DGAELO O=C1CCCN1C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000733293268 574613359 /nfs/dbraw/zinc/61/33/59/574613359.db2.gz KEAYUQLVSMONDS-CQSZACIVSA-N 1 2 323.234 3.166 10 0 DGAELO O=C1CCCN1C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000733293268 574613361 /nfs/dbraw/zinc/61/33/61/574613361.db2.gz KEAYUQLVSMONDS-CQSZACIVSA-N 1 2 323.234 3.166 10 0 DGAELO Brc1c(C[NH2+]Cc2cccs2)nc2ccccn12 ZINC000733901683 574641992 /nfs/dbraw/zinc/64/19/92/574641992.db2.gz DJJUSGQQOHNHCC-UHFFFAOYSA-N 1 2 322.231 3.448 10 0 DGAELO Cc1cccc(CCCOCCOC(=O)C[C@@H]2C=CCC2)[nH+]1 ZINC000123227818 622488489 /nfs/dbraw/zinc/48/84/89/622488489.db2.gz YMMNYPDDQLHSAW-MRXNPFEDSA-N 1 2 303.402 3.239 10 0 DGAELO O=C(OCc1cccs1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000131435536 626638378 /nfs/dbraw/zinc/63/83/78/626638378.db2.gz FXZBUQWJQPERQD-MRXNPFEDSA-N 1 2 301.411 3.456 10 0 DGAELO O=C(OCc1cccs1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000131435536 626638380 /nfs/dbraw/zinc/63/83/80/626638380.db2.gz FXZBUQWJQPERQD-MRXNPFEDSA-N 1 2 301.411 3.456 10 0 DGAELO Nc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2Cl)nn1 ZINC000886079987 627099884 /nfs/dbraw/zinc/09/98/84/627099884.db2.gz HWEPLAGERUBXJR-CQSZACIVSA-N 1 2 306.772 3.188 10 0 DGAELO Nc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2Cl)nn1 ZINC000886079987 627099886 /nfs/dbraw/zinc/09/98/86/627099886.db2.gz HWEPLAGERUBXJR-CQSZACIVSA-N 1 2 306.772 3.188 10 0 DGAELO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1nc(C(C)(C)C)no1 ZINC000185157958 660204595 /nfs/dbraw/zinc/20/45/95/660204595.db2.gz GVEDQWXHZOXKFI-MFKMUULPSA-N 1 2 323.824 3.405 10 0 DGAELO CC(=Cc1ccc(F)cc1)C(=O)NNc1cc[nH+]cc1Cl ZINC000185258028 660211730 /nfs/dbraw/zinc/21/17/30/660211730.db2.gz IXLHPAGXCVTMKI-CSKARUKUSA-N 1 2 305.740 3.421 10 0 DGAELO C[C@H]([NH2+]Cc1ccnc(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000185454541 660224465 /nfs/dbraw/zinc/22/44/65/660224465.db2.gz PALPSHCVAXOLNI-LBPRGKRZSA-N 1 2 313.792 3.167 10 0 DGAELO COCC[N@H+](CCF)Cc1ccc(Br)c(F)c1 ZINC000721910911 660313721 /nfs/dbraw/zinc/31/37/21/660313721.db2.gz CTLGJGSKLNZEAF-UHFFFAOYSA-N 1 2 308.166 3.006 10 0 DGAELO COCC[N@@H+](CCF)Cc1ccc(Br)c(F)c1 ZINC000721910911 660313723 /nfs/dbraw/zinc/31/37/23/660313723.db2.gz CTLGJGSKLNZEAF-UHFFFAOYSA-N 1 2 308.166 3.006 10 0 DGAELO C[NH+](C)c1ccc(NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000711418095 660951602 /nfs/dbraw/zinc/95/16/02/660951602.db2.gz MHNBSRIFDCRWDS-OTVXOJSOSA-N 1 2 319.449 3.468 10 0 DGAELO CN(C)c1ccc([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000711418095 660951603 /nfs/dbraw/zinc/95/16/03/660951603.db2.gz MHNBSRIFDCRWDS-OTVXOJSOSA-N 1 2 319.449 3.468 10 0 DGAELO Cc1ccc(C[S@](=O)Cc2cnc(Cl)s2)c(C)[nH+]1 ZINC000187224971 660972334 /nfs/dbraw/zinc/97/23/34/660972334.db2.gz 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ZINC000173303119 659379247 /nfs/dbraw/zinc/37/92/47/659379247.db2.gz KQCCFGFYLUULPQ-UHFFFAOYSA-N 1 2 305.447 3.153 10 0 DGAELO Cn1cc([C@H]2CCC[N@@H+]2Cn2nc(Cl)c3ccccc32)cn1 ZINC000180368639 659961219 /nfs/dbraw/zinc/96/12/19/659961219.db2.gz VYHUWXLSHYKTPY-CQSZACIVSA-N 1 2 315.808 3.218 10 0 DGAELO Cn1cc([C@H]2CCC[N@H+]2Cn2nc(Cl)c3ccccc32)cn1 ZINC000180368639 659961222 /nfs/dbraw/zinc/96/12/22/659961222.db2.gz VYHUWXLSHYKTPY-CQSZACIVSA-N 1 2 315.808 3.218 10 0 DGAELO O=C(OC[C@@H]1CC1(Cl)Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181181172 659985965 /nfs/dbraw/zinc/98/59/65/659985965.db2.gz ARRIJGKDEBMZHF-NSHDSACASA-N 1 2 311.168 3.223 10 0 DGAELO Cc1cc(C)cc([C@H]2CC[N@@H+](Cn3ncn(C)c3=S)C2)c1 ZINC000182798121 660081234 /nfs/dbraw/zinc/08/12/34/660081234.db2.gz IXOQMNUYWRPSOV-AWEZNQCLSA-N 1 2 302.447 3.015 10 0 DGAELO Cc1cc(C)cc([C@H]2CC[N@H+](Cn3ncn(C)c3=S)C2)c1 ZINC000182798121 660081236 /nfs/dbraw/zinc/08/12/36/660081236.db2.gz IXOQMNUYWRPSOV-AWEZNQCLSA-N 1 2 302.447 3.015 10 0 DGAELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000183266778 660107082 /nfs/dbraw/zinc/10/70/82/660107082.db2.gz FXQXCUHRYNZJMC-UHFFFAOYSA-N 1 2 315.329 3.443 10 0 DGAELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000183266778 660107086 /nfs/dbraw/zinc/10/70/86/660107086.db2.gz FXQXCUHRYNZJMC-UHFFFAOYSA-N 1 2 315.329 3.443 10 0 DGAELO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000189085274 661962186 /nfs/dbraw/zinc/96/21/86/661962186.db2.gz KVNPRBSRJBSOHX-JTQLQIEISA-N 1 2 318.364 3.009 10 0 DGAELO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000189085274 661962189 /nfs/dbraw/zinc/96/21/89/661962189.db2.gz KVNPRBSRJBSOHX-JTQLQIEISA-N 1 2 318.364 3.009 10 0 DGAELO C[C@@H]1C[C@H](N(C)Cc2c(O)ccc(Cl)c2F)CC[N@@H+]1C ZINC000191398612 662063968 /nfs/dbraw/zinc/06/39/68/662063968.db2.gz XPZDDUCEIIRFMZ-GHMZBOCLSA-N 1 2 300.805 3.099 10 0 DGAELO C[C@@H]1C[C@H](N(C)Cc2c(O)ccc(Cl)c2F)CC[N@H+]1C ZINC000191398612 662063970 /nfs/dbraw/zinc/06/39/70/662063970.db2.gz 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3.384 10 0 DGAELO CC(C)(C)n1cc(C[N@@H+]2CC=C(c3cccs3)CC2)nn1 ZINC000191383579 165245680 /nfs/dbraw/zinc/24/56/80/165245680.db2.gz XWEVWQLZQVALDL-UHFFFAOYSA-N 1 2 302.447 3.384 10 0 DGAELO O=C(NCc1ccc(C2CC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000191594546 165261022 /nfs/dbraw/zinc/26/10/22/165261022.db2.gz BMEMTZZOAMHCBX-UHFFFAOYSA-N 1 2 324.428 3.307 10 0 DGAELO COC(=O)c1occc1C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191660430 165263103 /nfs/dbraw/zinc/26/31/03/165263103.db2.gz ZSEHNYQIJNTQNI-LLVKDONJSA-N 1 2 319.323 3.477 10 0 DGAELO COC(=O)c1occc1C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191660430 165263105 /nfs/dbraw/zinc/26/31/05/165263105.db2.gz ZSEHNYQIJNTQNI-LLVKDONJSA-N 1 2 319.323 3.477 10 0 DGAELO CCn1cc([C@H]2C[N@H+](Cc3ccc(Cl)c(C)c3)CCO2)cn1 ZINC000191705950 165267052 /nfs/dbraw/zinc/26/70/52/165267052.db2.gz HZWKPOFLKOBTEC-QGZVFWFLSA-N 1 2 319.836 3.438 10 0 DGAELO CCn1cc([C@H]2C[N@@H+](Cc3ccc(Cl)c(C)c3)CCO2)cn1 ZINC000191705950 165267054 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Cc1csc([C@@H]2C[N@@H+](CCCOc3ccccc3)CCO2)n1 ZINC000195390712 165369328 /nfs/dbraw/zinc/36/93/28/165369328.db2.gz GKIZNBZNTPAVIB-INIZCTEOSA-N 1 2 318.442 3.294 10 0 DGAELO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195440089 165370676 /nfs/dbraw/zinc/37/06/76/165370676.db2.gz GRJYPEODXDQQDP-ZIAGYGMSSA-N 1 2 307.463 3.071 10 0 DGAELO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195440089 165370678 /nfs/dbraw/zinc/37/06/78/165370678.db2.gz GRJYPEODXDQQDP-ZIAGYGMSSA-N 1 2 307.463 3.071 10 0 DGAELO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000195518674 165373994 /nfs/dbraw/zinc/37/39/94/165373994.db2.gz CYKNCKNEAXIQBT-ZDUSSCGKSA-N 1 2 311.389 3.053 10 0 DGAELO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000195518674 165373995 /nfs/dbraw/zinc/37/39/95/165373995.db2.gz CYKNCKNEAXIQBT-ZDUSSCGKSA-N 1 2 311.389 3.053 10 0 DGAELO Fc1ccc(OCCC[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000195521467 165374240 /nfs/dbraw/zinc/37/42/40/165374240.db2.gz 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CCCc1nc(C[N@@H+](C)[C@H]2C[C@@H](OCC)C23CCCC3)no1 ZINC000246985611 432189022 /nfs/dbraw/zinc/18/90/22/432189022.db2.gz MGCBYPDDKSCVAC-UONOGXRCSA-N 1 2 307.438 3.192 10 0 DGAELO Cc1cc(N(C)[C@H](C)c2cccnc2)nc(-c2ccncc2)[nH+]1 ZINC000171987943 432189391 /nfs/dbraw/zinc/18/93/91/432189391.db2.gz JMSSEEHIUJFSFN-CQSZACIVSA-N 1 2 305.385 3.439 10 0 DGAELO O=S(=O)(CCC[N@@H+]1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000172024337 432190665 /nfs/dbraw/zinc/19/06/65/432190665.db2.gz FDFUXCSHABCEAF-MRXNPFEDSA-N 1 2 319.426 3.281 10 0 DGAELO O=S(=O)(CCC[N@H+]1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000172024337 432190668 /nfs/dbraw/zinc/19/06/68/432190668.db2.gz FDFUXCSHABCEAF-MRXNPFEDSA-N 1 2 319.426 3.281 10 0 DGAELO CCOC(=O)[C@H](C)[N@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000190836360 432193110 /nfs/dbraw/zinc/19/31/10/432193110.db2.gz QQNWBSQQEKFACY-LBPRGKRZSA-N 1 2 316.376 3.290 10 0 DGAELO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000190836360 432193112 /nfs/dbraw/zinc/19/31/12/432193112.db2.gz 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/nfs/dbraw/zinc/79/09/38/433790938.db2.gz NGBMQAJLEQHUMG-RDBSUJKOSA-N 1 2 303.450 3.333 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)C1)CC2 ZINC000376627253 433790942 /nfs/dbraw/zinc/79/09/42/433790942.db2.gz NGBMQAJLEQHUMG-RDBSUJKOSA-N 1 2 303.450 3.333 10 0 DGAELO c1csc([C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)c2nnc[nH]2)c1 ZINC000293687756 433828304 /nfs/dbraw/zinc/82/83/04/433828304.db2.gz KWXMMKACURNVFT-OFQRWUPVSA-N 1 2 310.426 3.349 10 0 DGAELO Cc1cnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)s1 ZINC000302858081 433885828 /nfs/dbraw/zinc/88/58/28/433885828.db2.gz SSQWDEWZWSWYPS-VXGBXAGGSA-N 1 2 318.446 3.072 10 0 DGAELO Fc1ccc(Br)c(C[NH2+][C@H]2CCn3ccnc32)c1 ZINC000294297007 434075670 /nfs/dbraw/zinc/07/56/70/434075670.db2.gz ZOAMRYYXASSGQF-LBPRGKRZSA-N 1 2 310.170 3.019 10 0 DGAELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000363722356 434125541 /nfs/dbraw/zinc/12/55/41/434125541.db2.gz WZTSKCBZBDNXJY-UHFFFAOYSA-N 1 2 310.184 3.154 10 0 DGAELO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c(C(C)(C)C)n1 ZINC000179888229 294236747 /nfs/dbraw/zinc/23/67/47/294236747.db2.gz SESBOKKSLOIVJX-CQSZACIVSA-N 1 2 319.474 3.353 10 0 DGAELO Cn1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c(C(C)(C)C)n1 ZINC000179888229 294236751 /nfs/dbraw/zinc/23/67/51/294236751.db2.gz SESBOKKSLOIVJX-CQSZACIVSA-N 1 2 319.474 3.353 10 0 DGAELO COC(=O)[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000513448550 294474107 /nfs/dbraw/zinc/47/41/07/294474107.db2.gz RYEVVXNEZCNYKJ-IBGZPJMESA-N 1 2 309.409 3.360 10 0 DGAELO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1cccc(OC(F)(F)F)c1 ZINC000437034012 434207715 /nfs/dbraw/zinc/20/77/15/434207715.db2.gz DCGBMSAJJYAJIM-ZJUUUORDSA-N 1 2 314.311 3.126 10 0 DGAELO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437276087 434239969 /nfs/dbraw/zinc/23/99/69/434239969.db2.gz SGDGSJSORSLVIV-ZWKOTPCHSA-N 1 2 305.381 3.099 10 0 DGAELO Brc1cc(CNc2cc[nH+]c(C3CC3)n2)cs1 ZINC000346739895 434260397 /nfs/dbraw/zinc/26/03/97/434260397.db2.gz LVQZZINUYXSMDR-UHFFFAOYSA-N 1 2 310.220 3.790 10 0 DGAELO Cn1cc(Cl)c(C[NH2+]Cc2ccc(C(F)(F)F)cc2)n1 ZINC000393350995 434392120 /nfs/dbraw/zinc/39/21/20/434392120.db2.gz SWKWCUPMTHHFNU-UHFFFAOYSA-N 1 2 303.715 3.382 10 0 DGAELO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2Br)[nH]1 ZINC000392473703 434384858 /nfs/dbraw/zinc/38/48/58/434384858.db2.gz RJTJNBPUVJGLOU-BDAKNGLRSA-N 1 2 309.211 3.287 10 0 DGAELO Cc1ccsc1[C@H](C)[NH2+]Cc1nn(C)cc1Br ZINC000393347003 434388186 /nfs/dbraw/zinc/38/81/86/434388186.db2.gz FKFWMXGVQNDJHP-VIFPVBQESA-N 1 2 314.252 3.403 10 0 DGAELO C[N@H+](CCOCC1CC1)Cc1ccsc1Br ZINC000388981119 434339544 /nfs/dbraw/zinc/33/95/44/434339544.db2.gz OIHQQYRDAZXYJL-UHFFFAOYSA-N 1 2 304.253 3.369 10 0 DGAELO C[N@@H+](CCOCC1CC1)Cc1ccsc1Br ZINC000388981119 434339553 /nfs/dbraw/zinc/33/95/53/434339553.db2.gz OIHQQYRDAZXYJL-UHFFFAOYSA-N 1 2 304.253 3.369 10 0 DGAELO C[C@@H]1C[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CCS1 ZINC000329013312 434344642 /nfs/dbraw/zinc/34/46/42/434344642.db2.gz PHMPPIKGOGQRRL-SNVBAGLBSA-N 1 2 315.398 3.019 10 0 DGAELO C[C@@H]1C[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CCS1 ZINC000329013312 434344652 /nfs/dbraw/zinc/34/46/52/434344652.db2.gz PHMPPIKGOGQRRL-SNVBAGLBSA-N 1 2 315.398 3.019 10 0 DGAELO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000438303741 434447762 /nfs/dbraw/zinc/44/77/62/434447762.db2.gz KDMYCBXKFKNBLY-KGLIPLIRSA-N 1 2 315.335 3.077 10 0 DGAELO COCC1(c2noc([C@@H]3CCC[N@@H+]3C3CC3)n2)CCCCC1 ZINC000329537885 434427975 /nfs/dbraw/zinc/42/79/75/434427975.db2.gz VCWXVYWEXKWZEI-AWEZNQCLSA-N 1 2 305.422 3.217 10 0 DGAELO COCC1(c2noc([C@@H]3CCC[N@H+]3C3CC3)n2)CCCCC1 ZINC000329537885 434427985 /nfs/dbraw/zinc/42/79/85/434427985.db2.gz VCWXVYWEXKWZEI-AWEZNQCLSA-N 1 2 305.422 3.217 10 0 DGAELO Cc1nc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(CCCCC3)O2)no1 ZINC000329839710 434490583 /nfs/dbraw/zinc/49/05/83/434490583.db2.gz NVKKOOUTHRVKTM-HUUCEWRRSA-N 1 2 305.422 3.397 10 0 DGAELO Cc1nc([C@H]2CCC[N@H+]2C[C@H]2CCC3(CCCCC3)O2)no1 ZINC000329839710 434490598 /nfs/dbraw/zinc/49/05/98/434490598.db2.gz NVKKOOUTHRVKTM-HUUCEWRRSA-N 1 2 305.422 3.397 10 0 DGAELO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000408139766 434544706 /nfs/dbraw/zinc/54/47/06/434544706.db2.gz PHGOKBKHGNQANB-FRFSOERESA-N 1 2 324.428 3.232 10 0 DGAELO Cc1csc([C@H](C)NC(=O)c2ccc3[nH+]c(C)n(C)c3c2)n1 ZINC000526007951 295050937 /nfs/dbraw/zinc/05/09/37/295050937.db2.gz IEZSWRCPNDBHPD-JTQLQIEISA-N 1 2 314.414 3.138 10 0 DGAELO CC(=O)c1c(C)cccc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000527093753 295077297 /nfs/dbraw/zinc/07/72/97/295077297.db2.gz NJDCEEPDNULETD-UHFFFAOYSA-N 1 2 321.380 3.335 10 0 DGAELO Cc1cc(C)c(NC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c(C)[nH+]1 ZINC000408466461 434578801 /nfs/dbraw/zinc/57/88/01/434578801.db2.gz MIGANUUBBYWWBO-LSDHHAIUSA-N 1 2 319.449 3.268 10 0 DGAELO Cc1cc(C)c(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(C)[nH+]1 ZINC000408469987 434580131 /nfs/dbraw/zinc/58/01/31/434580131.db2.gz TXQDQOHMSJFGGT-YJBOKZPZSA-N 1 2 317.433 3.166 10 0 DGAELO c1nc(C[NH+]2CC3(C2)CCCOC3)sc1-c1ccccc1 ZINC000459603284 434628524 /nfs/dbraw/zinc/62/85/24/434628524.db2.gz HTXFEZXAWHXSSO-UHFFFAOYSA-N 1 2 300.427 3.423 10 0 DGAELO C[C@H]1CCOCC[N@@H+]1CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000360791351 434696516 /nfs/dbraw/zinc/69/65/16/434696516.db2.gz FUTNXZXOZAMUFH-XJKSGUPXSA-N 1 2 324.490 3.062 10 0 DGAELO C[C@H]1CCOCC[N@H+]1CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000360791351 434696523 /nfs/dbraw/zinc/69/65/23/434696523.db2.gz FUTNXZXOZAMUFH-XJKSGUPXSA-N 1 2 324.490 3.062 10 0 DGAELO Cc1csc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)c1 ZINC000452755886 434705861 /nfs/dbraw/zinc/70/58/61/434705861.db2.gz JTRYVMZZDXFIKT-LBPRGKRZSA-N 1 2 317.458 3.324 10 0 DGAELO Cc1csc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)c1 ZINC000452755886 434705868 /nfs/dbraw/zinc/70/58/68/434705868.db2.gz JTRYVMZZDXFIKT-LBPRGKRZSA-N 1 2 317.458 3.324 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3c[nH]nc3c1)C2 ZINC000372439361 434829474 /nfs/dbraw/zinc/82/94/74/434829474.db2.gz LKVCIXYPKHNWEE-LLVKDONJSA-N 1 2 323.400 3.153 10 0 DGAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3c[nH]nc3c1)CC2 ZINC000372439361 434829475 /nfs/dbraw/zinc/82/94/75/434829475.db2.gz LKVCIXYPKHNWEE-LLVKDONJSA-N 1 2 323.400 3.153 10 0 DGAELO c1ccc(-c2nnc([C@@H]3CCC[N@H+]3CCc3ccccn3)[nH]2)cc1 ZINC000556808348 435027384 /nfs/dbraw/zinc/02/73/84/435027384.db2.gz BIXKPQPOISZGIR-KRWDZBQOSA-N 1 2 319.412 3.246 10 0 DGAELO c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3CCc3ccccn3)[nH]2)cc1 ZINC000556808348 435027389 /nfs/dbraw/zinc/02/73/89/435027389.db2.gz BIXKPQPOISZGIR-KRWDZBQOSA-N 1 2 319.412 3.246 10 0 DGAELO c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+]3CCc3ccccn3)n2)cc1 ZINC000556808348 435027394 /nfs/dbraw/zinc/02/73/94/435027394.db2.gz BIXKPQPOISZGIR-KRWDZBQOSA-N 1 2 319.412 3.246 10 0 DGAELO c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+]3CCc3ccccn3)n2)cc1 ZINC000556808348 435027398 /nfs/dbraw/zinc/02/73/98/435027398.db2.gz BIXKPQPOISZGIR-KRWDZBQOSA-N 1 2 319.412 3.246 10 0 DGAELO Cc1cnc(C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)nc1 ZINC000556311791 435003637 /nfs/dbraw/zinc/00/36/37/435003637.db2.gz VAWHPCRROAFHJQ-UHFFFAOYSA-N 1 2 323.440 3.497 10 0 DGAELO CCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531870484 435123051 /nfs/dbraw/zinc/12/30/51/435123051.db2.gz LEPXYAJBNOLCAK-OLZOCXBDSA-N 1 2 323.437 3.137 10 0 DGAELO CCc1noc([C@@H](C)[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000531870484 435123055 /nfs/dbraw/zinc/12/30/55/435123055.db2.gz LEPXYAJBNOLCAK-OLZOCXBDSA-N 1 2 323.437 3.137 10 0 DGAELO c1c(C[N@@H+]2CCO[C@]3(CCSC3)C2)onc1-c1ccccc1 ZINC000579587442 435166714 /nfs/dbraw/zinc/16/67/14/435166714.db2.gz JNRQLJLUHUOUJP-QGZVFWFLSA-N 1 2 316.426 3.050 10 0 DGAELO c1c(C[N@H+]2CCO[C@]3(CCSC3)C2)onc1-c1ccccc1 ZINC000579587442 435166717 /nfs/dbraw/zinc/16/67/17/435166717.db2.gz JNRQLJLUHUOUJP-QGZVFWFLSA-N 1 2 316.426 3.050 10 0 DGAELO CC(=O)N1CC[N@H+](Cc2cnc(C3CCCCC3)s2)[C@@H](C)C1 ZINC000536668971 435402372 /nfs/dbraw/zinc/40/23/72/435402372.db2.gz VDKSMCYUAAEUGR-ZDUSSCGKSA-N 1 2 321.490 3.243 10 0 DGAELO CC(=O)N1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)[C@@H](C)C1 ZINC000536668971 435402376 /nfs/dbraw/zinc/40/23/76/435402376.db2.gz VDKSMCYUAAEUGR-ZDUSSCGKSA-N 1 2 321.490 3.243 10 0 DGAELO Cc1csc2nc(C)nc(N3CCC[C@H]3Cn3cc[nH+]c3)c12 ZINC000126477578 302456329 /nfs/dbraw/zinc/45/63/29/302456329.db2.gz BNMGBXVWXDJWBW-ZDUSSCGKSA-N 1 2 313.430 3.174 10 0 DGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000090226613 302678660 /nfs/dbraw/zinc/67/86/60/302678660.db2.gz QQEXVXNLPLJKGB-LSDHHAIUSA-N 1 2 316.380 3.064 10 0 DGAELO Cc1cc(N2CC[C@H](OCC(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000133307210 312664411 /nfs/dbraw/zinc/66/44/11/312664411.db2.gz BQPOIVRROIBMHP-INIZCTEOSA-N 1 2 312.417 3.098 10 0 DGAELO CC[C@H]1CCC[C@@H](C[NH2+]Cc2[nH]ncc2Br)C1 ZINC000541374529 314011919 /nfs/dbraw/zinc/01/19/19/314011919.db2.gz OSELGCCNCDPCTI-WDEREUQCSA-N 1 2 300.244 3.478 10 0 DGAELO COC(=O)[C@H](C1CC1)[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000543843962 314161152 /nfs/dbraw/zinc/16/11/52/314161152.db2.gz BDPGZWWEOZNSAM-INIZCTEOSA-N 1 2 305.805 3.381 10 0 DGAELO COC(=O)[C@H](C1CC1)[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000543843962 314161156 /nfs/dbraw/zinc/16/11/56/314161156.db2.gz BDPGZWWEOZNSAM-INIZCTEOSA-N 1 2 305.805 3.381 10 0 DGAELO c1cc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c2c(c1)OCCO2 ZINC000544621858 314203909 /nfs/dbraw/zinc/20/39/09/314203909.db2.gz JQQQPPJGXDHEHE-GOSISDBHSA-N 1 2 317.429 3.239 10 0 DGAELO c1cc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c2c(c1)OCCO2 ZINC000544621858 314203911 /nfs/dbraw/zinc/20/39/11/314203911.db2.gz JQQQPPJGXDHEHE-GOSISDBHSA-N 1 2 317.429 3.239 10 0 DGAELO CS[C@H](C)Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000544805786 314211998 /nfs/dbraw/zinc/21/19/98/314211998.db2.gz WKIPQJCTJNUUFL-LLVKDONJSA-N 1 2 300.387 3.216 10 0 DGAELO O=C(Nc1cccc2cc[nH]c21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000547528000 314378023 /nfs/dbraw/zinc/37/80/23/314378023.db2.gz PRSZXYGDLQICNI-UHFFFAOYSA-N 1 2 309.373 3.303 10 0 DGAELO Cc1noc(C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)n1 ZINC000548077879 314418612 /nfs/dbraw/zinc/41/86/12/314418612.db2.gz VPSUAKWEKQDLRG-UHFFFAOYSA-N 1 2 312.373 3.207 10 0 DGAELO c1nc(C[N@@H+]2CCO[C@]3(CCSC3)C2)oc1-c1ccccc1 ZINC000563071808 315076265 /nfs/dbraw/zinc/07/62/65/315076265.db2.gz GCYRZFIYHQXGLE-QGZVFWFLSA-N 1 2 316.426 3.050 10 0 DGAELO c1nc(C[N@H+]2CCO[C@]3(CCSC3)C2)oc1-c1ccccc1 ZINC000563071808 315076267 /nfs/dbraw/zinc/07/62/67/315076267.db2.gz GCYRZFIYHQXGLE-QGZVFWFLSA-N 1 2 316.426 3.050 10 0 DGAELO c1coc(-c2ncc(C[N@@H+]3CCO[C@]4(CCSC4)C3)s2)c1 ZINC000564990066 315218389 /nfs/dbraw/zinc/21/83/89/315218389.db2.gz CAOIQLFEAQLCOX-OAHLLOKOSA-N 1 2 322.455 3.111 10 0 DGAELO c1coc(-c2ncc(C[N@H+]3CCO[C@]4(CCSC4)C3)s2)c1 ZINC000564990066 315218391 /nfs/dbraw/zinc/21/83/91/315218391.db2.gz CAOIQLFEAQLCOX-OAHLLOKOSA-N 1 2 322.455 3.111 10 0 DGAELO c1ccc(Cc2nc(C[N@@H+]3CC[C@H](c4ccncc4)C3)no2)cc1 ZINC000566424940 315344803 /nfs/dbraw/zinc/34/48/03/315344803.db2.gz QDYIIOXYLPNQHY-KRWDZBQOSA-N 1 2 320.396 3.045 10 0 DGAELO c1ccc(Cc2nc(C[N@H+]3CC[C@H](c4ccncc4)C3)no2)cc1 ZINC000566424940 315344806 /nfs/dbraw/zinc/34/48/06/315344806.db2.gz QDYIIOXYLPNQHY-KRWDZBQOSA-N 1 2 320.396 3.045 10 0 DGAELO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1)C(=O)OC(C)(C)C ZINC000570257569 315636114 /nfs/dbraw/zinc/63/61/14/315636114.db2.gz MDBUIYKCBOEZDF-XJKSGUPXSA-N 1 2 307.434 3.336 10 0 DGAELO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000179891368 323216458 /nfs/dbraw/zinc/21/64/58/323216458.db2.gz SRGDLQGSLIBRHR-CYBMUJFWSA-N 1 2 316.376 3.432 10 0 DGAELO COC(=O)c1oc(C[NH2+][C@H](C)c2c(F)cccc2OC)cc1C ZINC000179924347 323217031 /nfs/dbraw/zinc/21/70/31/323217031.db2.gz FOXVMBCEQNISFG-LLVKDONJSA-N 1 2 321.348 3.373 10 0 DGAELO COC(=O)c1occc1C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000179931470 323217764 /nfs/dbraw/zinc/21/77/64/323217764.db2.gz KNHDWVMYNINWNV-JTQLQIEISA-N 1 2 307.321 3.065 10 0 DGAELO CCCC1CCC(C[N@@H+]2CCO[C@H](c3n[nH]c(C)n3)C2)CC1 ZINC000180612059 323233932 /nfs/dbraw/zinc/23/39/32/323233932.db2.gz FCYCTPLDOLUDDR-GPANFISMSA-N 1 2 306.454 3.093 10 0 DGAELO CCCC1CCC(C[N@H+]2CCO[C@H](c3n[nH]c(C)n3)C2)CC1 ZINC000180612059 323233934 /nfs/dbraw/zinc/23/39/34/323233934.db2.gz FCYCTPLDOLUDDR-GPANFISMSA-N 1 2 306.454 3.093 10 0 DGAELO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnnn1C(C)C ZINC000181716686 323265780 /nfs/dbraw/zinc/26/57/80/323265780.db2.gz DCQBARWEUHIHEI-OAHLLOKOSA-N 1 2 317.437 3.140 10 0 DGAELO CNc1[nH+]cnc2c1cnn2Cc1c(Cl)cccc1Cl ZINC000181839048 323271754 /nfs/dbraw/zinc/27/17/54/323271754.db2.gz LXVPNYIQXRPFPJ-UHFFFAOYSA-N 1 2 308.172 3.223 10 0 DGAELO COCCc1noc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)n1 ZINC000183132799 323326700 /nfs/dbraw/zinc/32/67/00/323326700.db2.gz GQPSNJYUVABBHS-QGZVFWFLSA-N 1 2 315.417 3.062 10 0 DGAELO COCCc1noc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)n1 ZINC000183132777 323326746 /nfs/dbraw/zinc/32/67/46/323326746.db2.gz GQPSNJYUVABBHS-KRWDZBQOSA-N 1 2 315.417 3.062 10 0 DGAELO 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/nfs/dbraw/zinc/94/15/58/660941558.db2.gz UXJNNCCZRAOENY-LJQANCHMSA-N 1 2 324.424 3.406 10 0 DGAELO Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)c(C)n1 ZINC000187046997 660941559 /nfs/dbraw/zinc/94/15/59/660941559.db2.gz UXJNNCCZRAOENY-LJQANCHMSA-N 1 2 324.424 3.406 10 0 DGAELO C/C(=C/C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000255711048 655890996 /nfs/dbraw/zinc/89/09/96/655890996.db2.gz JPTWOIVJPIKVFU-VWILAXROSA-N 1 2 313.376 3.117 10 0 DGAELO Cn1c[nH+]c(CCNc2cc(C(F)(F)F)cc(Cl)n2)c1 ZINC000313341714 656268414 /nfs/dbraw/zinc/26/84/14/656268414.db2.gz FTTNPDQZYIEEIQ-UHFFFAOYSA-N 1 2 304.703 3.142 10 0 DGAELO Cc1cc[nH+]cc1NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000163613815 658874875 /nfs/dbraw/zinc/87/48/75/658874875.db2.gz GINLTTLLABIBTL-CQSZACIVSA-N 1 2 305.422 3.449 10 0 DGAELO Clc1cc(C[NH2+]Cc2cnc3n2CCOC3)c(Cl)s1 ZINC000722875376 659041686 /nfs/dbraw/zinc/04/16/86/659041686.db2.gz NHGBAXIKDHNTPO-UHFFFAOYSA-N 1 2 318.229 3.071 10 0 DGAELO Cn1ccnc1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000225270871 659059508 /nfs/dbraw/zinc/05/95/08/659059508.db2.gz DIHFYOXAJVULFZ-UHFFFAOYSA-N 1 2 314.614 3.126 10 0 DGAELO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000172185090 659322094 /nfs/dbraw/zinc/32/20/94/659322094.db2.gz PABNSLZSCZGFBU-AWEZNQCLSA-N 1 2 312.417 3.250 10 0 DGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cn2nc(Cl)c3ccccc32)cn1 ZINC000180368622 659960853 /nfs/dbraw/zinc/96/08/53/659960853.db2.gz VYHUWXLSHYKTPY-AWEZNQCLSA-N 1 2 315.808 3.218 10 0 DGAELO Cn1cc([C@@H]2CCC[N@H+]2Cn2nc(Cl)c3ccccc32)cn1 ZINC000180368622 659960855 /nfs/dbraw/zinc/96/08/55/659960855.db2.gz VYHUWXLSHYKTPY-AWEZNQCLSA-N 1 2 315.808 3.218 10 0 DGAELO CC[N@H+](C)[C@H](C(=O)OCc1cc(C)sn1)c1ccccc1 ZINC000193536341 662138105 /nfs/dbraw/zinc/13/81/05/662138105.db2.gz LVVBFWOKXIENRG-HNNXBMFYSA-N 1 2 304.415 3.188 10 0 DGAELO CC[N@@H+](C)[C@H](C(=O)OCc1cc(C)sn1)c1ccccc1 ZINC000193536341 662138106 /nfs/dbraw/zinc/13/81/06/662138106.db2.gz LVVBFWOKXIENRG-HNNXBMFYSA-N 1 2 304.415 3.188 10 0 DGAELO CC[N@H+](C)[C@H](C(=O)O[C@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000245880709 662243090 /nfs/dbraw/zinc/24/30/90/662243090.db2.gz NONVNKMXUKFEMM-ULQDDVLXSA-N 1 2 305.418 3.180 10 0 DGAELO CC[N@@H+](C)[C@H](C(=O)O[C@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000245880709 662243092 /nfs/dbraw/zinc/24/30/92/662243092.db2.gz NONVNKMXUKFEMM-ULQDDVLXSA-N 1 2 305.418 3.180 10 0 DGAELO C=C(Cl)C[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093328996 662352525 /nfs/dbraw/zinc/35/25/25/662352525.db2.gz PEPLGJLEBPXECT-LLVKDONJSA-N 1 2 306.715 3.306 10 0 DGAELO C=C(Cl)C[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093328996 662352527 /nfs/dbraw/zinc/35/25/27/662352527.db2.gz PEPLGJLEBPXECT-LLVKDONJSA-N 1 2 306.715 3.306 10 0 DGAELO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCCc2nc(C)sc21 ZINC000248563223 662353404 /nfs/dbraw/zinc/35/34/04/662353404.db2.gz OJXHFKYDYMWHLG-KGLIPLIRSA-N 1 2 308.447 3.247 10 0 DGAELO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCCc2nc(C)sc21 ZINC000248563223 662353405 /nfs/dbraw/zinc/35/34/05/662353405.db2.gz OJXHFKYDYMWHLG-KGLIPLIRSA-N 1 2 308.447 3.247 10 0 DGAELO Cc1nnc(C[NH2+]Cc2ccc(Br)c(C)c2)s1 ZINC000391854011 685212734 /nfs/dbraw/zinc/21/27/34/685212734.db2.gz IQWXLEHAHQPQNG-UHFFFAOYSA-N 1 2 312.236 3.207 10 0 DGAELO Cc1nc(NCCSC(C)(C)C)c(Br)c(C)[nH+]1 ZINC000397314991 1197723459 /nfs/dbraw/zinc/72/34/59/1197723459.db2.gz KWLYIUYOFHERPM-UHFFFAOYSA-N 1 2 318.284 3.221 10 0 DGAELO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2ccccc2)CC1 ZINC000154412011 1202597553 /nfs/dbraw/zinc/59/75/53/1202597553.db2.gz SOEIDTQYKXCMRP-CQSZACIVSA-N 1 2 305.418 3.260 10 0 DGAELO Cc1cc(C)c2c(c1)CC[N@H+]([C@@H](C(N)=O)c1ccc(F)cc1)C2 ZINC000186459667 1202923737 /nfs/dbraw/zinc/92/37/37/1202923737.db2.gz QMGSMQNJJXQRDX-GOSISDBHSA-N 1 2 312.388 3.027 10 0 DGAELO Cc1cc(C)c2c(c1)CC[N@@H+]([C@@H](C(N)=O)c1ccc(F)cc1)C2 ZINC000186459667 1202923743 /nfs/dbraw/zinc/92/37/43/1202923743.db2.gz QMGSMQNJJXQRDX-GOSISDBHSA-N 1 2 312.388 3.027 10 0 DGAELO CC(C)[C@](C)(O)C[NH2+][C@H](c1nccn1C)c1ccccc1Cl ZINC000180644288 1204333243 /nfs/dbraw/zinc/33/32/43/1204333243.db2.gz XKJLSGBPUDVPEE-DOTOQJQBSA-N 1 2 321.852 3.160 10 0 DGAELO