smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[C@@H](C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000019404339 170786032 /nfs/dbraw/zinc/78/60/32/170786032.db2.gz KSVUXZHKCCAXLR-SUMWQHHRSA-N 0 0 282.387 4.037 20 10 CICDRN COc1ccc(O)c([C@@H](C)Nc2cccc(Cl)c2)c1 ZINC000019920421 170928467 /nfs/dbraw/zinc/92/84/67/170928467.db2.gz DSNVRMRRPGBYOG-SNVBAGLBSA-N 0 0 277.751 4.227 20 10 CICDRN COc1cccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC000019964164 170945588 /nfs/dbraw/zinc/94/55/88/170945588.db2.gz KRVOQMYRUCOJOD-DOMZBBRYSA-N 0 0 283.371 4.370 20 10 CICDRN CCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020560056 171251558 /nfs/dbraw/zinc/25/15/58/171251558.db2.gz WLKZSHUSNGKSDX-UHFFFAOYSA-N 0 0 276.207 4.369 20 10 CICDRN Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1C ZINC000020978532 171282749 /nfs/dbraw/zinc/28/27/49/171282749.db2.gz VGYSFOWFWRCVNP-UHFFFAOYSA-N 0 0 294.398 4.156 20 10 CICDRN COc1ccc(N[C@@H](C)c2cc(C)ccc2O)cc1F ZINC000035629060 172308929 /nfs/dbraw/zinc/30/89/29/172308929.db2.gz WYWIAIHZDXMFBT-NSHDSACASA-N 0 0 275.323 4.021 20 10 CICDRN Cc1ccc(O)c(CNc2ccc(Cl)cc2C)c1 ZINC000071406315 176155737 /nfs/dbraw/zinc/15/57/37/176155737.db2.gz YYZJXMMUEIEHDC-UHFFFAOYSA-N 0 0 261.752 4.275 20 10 CICDRN Cc1ccc(O)c(CNc2ccc3ccccc3c2)c1 ZINC000071407281 176156274 /nfs/dbraw/zinc/15/62/74/176156274.db2.gz VNZHVJRABIKYBC-UHFFFAOYSA-N 0 0 263.340 4.466 20 10 CICDRN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2F)c(O)c1 ZINC000037771988 260116275 /nfs/dbraw/zinc/11/62/75/260116275.db2.gz LRZMLTUFHSHZEY-VXGBXAGGSA-N 0 0 291.341 4.391 20 10 CICDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)c1 ZINC000037771972 260116260 /nfs/dbraw/zinc/11/62/60/260116260.db2.gz YCFXFDBPKFSVFU-NEPJUHHUSA-N 0 0 291.341 4.391 20 10 CICDRN CCOCc1cccc(N[C@H](CC)c2ccccc2O)c1 ZINC000157418668 261145813 /nfs/dbraw/zinc/14/58/13/261145813.db2.gz FITLUBYDNXYLAB-QGZVFWFLSA-N 0 0 285.387 4.492 20 10 CICDRN CC[C@H]([NH2+][C@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 ZINC000163655669 261324864 /nfs/dbraw/zinc/32/48/64/261324864.db2.gz CSRQMYRUMSJIAJ-BEFAXECRSA-N 0 0 297.446 4.340 20 10 CICDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)c1cnccn1 ZINC000186240736 262085123 /nfs/dbraw/zinc/08/51/23/262085123.db2.gz VTYNBNCLPRVEAO-SECBINFHSA-N 0 0 279.434 4.084 20 10 CICDRN CCOCc1cccc(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000186347640 262089315 /nfs/dbraw/zinc/08/93/15/262089315.db2.gz GRXFKDJIBKZFHS-CQSZACIVSA-N 0 0 285.387 4.410 20 10 CICDRN CC[C@@H]([NH2+]CC1CC=CC1)c1cccc(Cl)c1[O-] ZINC000527949499 330294283 /nfs/dbraw/zinc/29/42/83/330294283.db2.gz NVNJSBTXPZMPGX-CQSZACIVSA-N 0 0 265.784 4.053 20 10 CICDRN C[C@H](Nc1cccc2c1OCC2)c1cc(Cl)ccc1O ZINC000527960233 330300481 /nfs/dbraw/zinc/30/04/81/330300481.db2.gz WRNRYTAIBWPENO-JTQLQIEISA-N 0 0 289.762 4.154 20 10 CICDRN Cc1ccc(CN(C)c2ccccc2)c(-c2cnn(C)c2)c1 ZINC000549382099 334192075 /nfs/dbraw/zinc/19/20/75/334192075.db2.gz IMLMLZCFKLZPHZ-UHFFFAOYSA-N 0 0 291.398 4.032 20 10 CICDRN CC(C)(C)c1ccccc1NC(=O)NCc1ccccc1O ZINC000299546628 519059413 /nfs/dbraw/zinc/05/94/13/519059413.db2.gz WMLOGJJEGWYHSH-UHFFFAOYSA-N 0 0 298.386 4.011 20 10 CICDRN CC[C@@H]([NH2+]CCCCOC(C)C)c1cccc(Cl)c1[O-] ZINC000287772376 522826034 /nfs/dbraw/zinc/82/60/34/522826034.db2.gz RPTMAOYEUVBDNE-OAHLLOKOSA-N 0 0 299.842 4.292 20 10 CICDRN COCc1cccc(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000036918312 523077844 /nfs/dbraw/zinc/07/78/44/523077844.db2.gz GRKCSYVCPHZGQO-CYBMUJFWSA-N 0 0 271.360 4.020 20 10 CICDRN COCc1cccc(N[C@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273343662 523080472 /nfs/dbraw/zinc/08/04/72/523080472.db2.gz ADBMFFJZCPHBSO-CQSZACIVSA-N 0 0 285.387 4.329 20 10 CICDRN Cc1cccc(C(C)C)c1NC(=O)NCc1ccccc1O ZINC000299465825 524239714 /nfs/dbraw/zinc/23/97/14/524239714.db2.gz BFWCXNPNGXMMIT-UHFFFAOYSA-N 0 0 298.386 4.146 20 10 CICDRN COc1ccc(O)c(CNc2cccc(C(C)(F)F)c2)c1 ZINC000188791745 524756063 /nfs/dbraw/zinc/75/60/63/524756063.db2.gz ANPJRHWGBRSDDK-UHFFFAOYSA-N 0 0 293.313 4.125 20 10 CICDRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2O)c(C)c1 ZINC000062744682 525309607 /nfs/dbraw/zinc/30/96/07/525309607.db2.gz IUJVMXJSMCCRFM-LBPRGKRZSA-N 0 0 259.324 4.321 20 10 CICDRN C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000062747715 525604560 /nfs/dbraw/zinc/60/45/60/525604560.db2.gz HKJQREFUPBFYDO-ZJUUUORDSA-N 0 0 295.304 4.221 20 10 CICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1c(F)cccc1F ZINC000062747716 525608906 /nfs/dbraw/zinc/60/89/06/525608906.db2.gz HKJQREFUPBFYDO-VHSXEESVSA-N 0 0 295.304 4.221 20 10 CICDRN Cc1ccc(NCc2ccccc2O)c(Br)c1 ZINC000019901592 170913713 /nfs/dbraw/zinc/91/37/13/170913713.db2.gz FDNGZKMNTXWCPY-UHFFFAOYSA-N 0 0 292.176 4.075 20 10 CICDRN COc1ccc(N[C@@H](C)c2ccccc2O)cc1Cl ZINC000019903529 170915468 /nfs/dbraw/zinc/91/54/68/170915468.db2.gz PSYHYWPPQZGZNP-JTQLQIEISA-N 0 0 277.751 4.227 20 10 CICDRN CCOc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1 ZINC000020086941 170988309 /nfs/dbraw/zinc/98/83/09/170988309.db2.gz ZDMLSRHNVCUUEV-CYBMUJFWSA-N 0 0 271.360 4.272 20 10 CICDRN Cc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000020134237 171021759 /nfs/dbraw/zinc/02/17/59/171021759.db2.gz SJOWDIJCKQYIER-UHFFFAOYSA-N 0 0 296.197 4.297 20 10 CICDRN Brc1ccc(CSc2nccs2)s1 ZINC000043682190 175091017 /nfs/dbraw/zinc/09/10/17/175091017.db2.gz GJIUZMBUFWRDSA-UHFFFAOYSA-N 0 0 292.248 4.259 20 10 CICDRN [O-]c1c(F)cccc1C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000317311874 260175418 /nfs/dbraw/zinc/17/54/18/260175418.db2.gz NMUIFCRJXURCFC-QGZVFWFLSA-N 0 0 297.329 4.004 20 10 CICDRN Cc1cccc(C2(C(=O)Nc3ccc(N)cc3)CCCC2)c1 ZINC000160404535 261213494 /nfs/dbraw/zinc/21/34/94/261213494.db2.gz GOTCYFXXTJFIEQ-UHFFFAOYSA-N 0 0 294.398 4.028 20 10 CICDRN CC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)c1cccnc1 ZINC000290588905 328259705 /nfs/dbraw/zinc/25/97/05/328259705.db2.gz VDEBSNUMZOGQIM-LBPRGKRZSA-N 0 0 290.794 4.024 20 10 CICDRN Cc1c2ccccc2n(C)c1CNC(=O)CCC1CCCC1 ZINC000471222093 331503982 /nfs/dbraw/zinc/50/39/82/331503982.db2.gz AFXLASLPNQTDRK-UHFFFAOYSA-N 0 0 298.430 4.073 20 10 CICDRN CCC(C)(C)c1csc(Cc2ccc(N)cc2)n1 ZINC000261555960 334272760 /nfs/dbraw/zinc/27/27/60/334272760.db2.gz BTJFCENWVNKPAL-UHFFFAOYSA-N 0 0 260.406 4.004 20 10 CICDRN C/C(=C/c1ccc(N2CCCCC2)cc1)c1cnccn1 ZINC000126512173 518413684 /nfs/dbraw/zinc/41/36/84/518413684.db2.gz QJVWWJPCJFBBIL-SQFISAMPSA-N 0 0 279.387 4.027 20 10 CICDRN CC(=O)Nc1cccc(N[C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000294719013 519745494 /nfs/dbraw/zinc/74/54/94/519745494.db2.gz JYRNVOHWNGXNSC-CYBMUJFWSA-N 0 0 298.386 4.141 20 10 CICDRN COCc1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000037270575 523078599 /nfs/dbraw/zinc/07/85/99/523078599.db2.gz POOZLLTUYNOTSG-AWEZNQCLSA-N 0 0 284.403 4.072 20 10 CICDRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1F ZINC000062744914 525309498 /nfs/dbraw/zinc/30/94/98/525309498.db2.gz AIOVIEOBWVWBQF-JTQLQIEISA-N 0 0 263.287 4.152 20 10 CICDRN Cc1ccc(N[C@H](C)c2ccc(F)cc2O)c(F)c1 ZINC000062745457 525316931 /nfs/dbraw/zinc/31/69/31/525316931.db2.gz SROKGZFGGZBSGQ-SNVBAGLBSA-N 0 0 263.287 4.152 20 10 CICDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(F)cc1[O-] ZINC000062746258 525531167 /nfs/dbraw/zinc/53/11/67/525531167.db2.gz BAVTWSSMEWUSRO-UWVGGRQHSA-N 0 0 295.304 4.221 20 10 CICDRN C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000191183793 525616255 /nfs/dbraw/zinc/61/62/55/525616255.db2.gz GRDFNGKXDOVADL-BDAKNGLRSA-N 0 0 283.343 4.144 20 10 CICDRN CN(Cc1ccccc1O)c1cc2ccccc2c(Cl)n1 ZINC000302615416 530003787 /nfs/dbraw/zinc/00/37/87/530003787.db2.gz FUOIQAUSWUWIHZ-UHFFFAOYSA-N 0 0 298.773 4.230 20 10 CICDRN CCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000001236435 169692709 /nfs/dbraw/zinc/69/27/09/169692709.db2.gz NQCJVKCITQKLQV-UVTDQMKNSA-N 0 0 299.420 4.061 20 10 CICDRN C[C@H](Nc1ccc(F)c(Cl)c1)c1ccccc1O ZINC000020429887 171194973 /nfs/dbraw/zinc/19/49/73/171194973.db2.gz WDBXFPPVAGDALA-VIFPVBQESA-N 0 0 265.715 4.358 20 10 CICDRN Cc1ccc([C@@H](C)Nc2ccc(F)cc2C)c(O)c1 ZINC000020561035 171251773 /nfs/dbraw/zinc/25/17/73/171251773.db2.gz SUXYYQVKFGJYNE-GFCCVEGCSA-N 0 0 259.324 4.321 20 10 CICDRN Cc1ccc([C@H](C)Nc2ccc(F)cc2C)c(O)c1 ZINC000020561038 171251797 /nfs/dbraw/zinc/25/17/97/171251797.db2.gz SUXYYQVKFGJYNE-LBPRGKRZSA-N 0 0 259.324 4.321 20 10 CICDRN Cc1ccc([C@H](C)Nc2cccc(C)c2C)c(O)c1 ZINC000021009144 171285756 /nfs/dbraw/zinc/28/57/56/171285756.db2.gz WJFOGQFDLVZLRM-AWEZNQCLSA-N 0 0 255.361 4.491 20 10 CICDRN Cc1ccc(N[C@@H](C)c2ccc(C)cc2O)c(C)c1 ZINC000021031686 171291831 /nfs/dbraw/zinc/29/18/31/171291831.db2.gz VUQZOIMTPYFVQR-AWEZNQCLSA-N 0 0 255.361 4.491 20 10 CICDRN CCOc1ccc(N[C@@H](C)c2cc(C)ccc2O)cc1 ZINC000035628513 172307466 /nfs/dbraw/zinc/30/74/66/172307466.db2.gz PYDJWMLEICFHEK-ZDUSSCGKSA-N 0 0 271.360 4.272 20 10 CICDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(C)c(F)c2)c1 ZINC000035628693 172307872 /nfs/dbraw/zinc/30/78/72/172307872.db2.gz ZLDXQXPXIVLJQQ-GFCCVEGCSA-N 0 0 259.324 4.321 20 10 CICDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(OC(F)F)cc2)c1 ZINC000035628747 172307889 /nfs/dbraw/zinc/30/78/89/172307889.db2.gz WYIWMAFGTWXZDY-LLVKDONJSA-N 0 0 293.313 4.475 20 10 CICDRN Cc1ccc(O)c([C@H](C)Nc2ccc(OC(F)F)cc2)c1 ZINC000035628748 172308111 /nfs/dbraw/zinc/30/81/11/172308111.db2.gz WYIWMAFGTWXZDY-NSHDSACASA-N 0 0 293.313 4.475 20 10 CICDRN CCCc1ccc(NCc2cc(C)ccc2O)cc1 ZINC000071406546 176155908 /nfs/dbraw/zinc/15/59/08/176155908.db2.gz GITIXGXATKQWRP-UHFFFAOYSA-N 0 0 255.361 4.265 20 10 CICDRN C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccccc1O ZINC000036933900 260053057 /nfs/dbraw/zinc/05/30/57/260053057.db2.gz DZHYHZZGEYMAIP-LLVKDONJSA-N 0 0 285.343 4.073 20 10 CICDRN CC[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccccc1O ZINC000037771696 260116355 /nfs/dbraw/zinc/11/63/55/260116355.db2.gz AWDLZBXXJRBAQK-IAQYHMDHSA-N 0 0 291.341 4.472 20 10 CICDRN Nc1ccc(NC(=O)C2CCC(c3ccccc3)CC2)cc1 ZINC000160389200 261212499 /nfs/dbraw/zinc/21/24/99/261212499.db2.gz UAJMNEIZTDOJBU-UHFFFAOYSA-N 0 0 294.398 4.181 20 10 CICDRN C[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1ccc(F)cc1[O-] ZINC000186322484 262088734 /nfs/dbraw/zinc/08/87/34/262088734.db2.gz YVMRLTJIUFIXTA-LLVKDONJSA-N 0 0 289.325 4.010 20 10 CICDRN COc1cc(C)c(N[C@@H](C)c2ccccc2O)cc1F ZINC000186564152 262098974 /nfs/dbraw/zinc/09/89/74/262098974.db2.gz PTGFZJBORKJWGP-NSHDSACASA-N 0 0 275.323 4.021 20 10 CICDRN Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)ccc1F ZINC000296699047 263195530 /nfs/dbraw/zinc/19/55/30/263195530.db2.gz HPBVFSGFCDTAAY-MLGOLLRUSA-N 0 0 285.362 4.178 20 10 CICDRN CC1CCN(c2ccc(CNc3cccc(F)n3)cc2)CC1 ZINC000301200284 265979258 /nfs/dbraw/zinc/97/92/58/265979258.db2.gz MAMPSOKTAMCGRL-UHFFFAOYSA-N 0 0 299.393 4.069 20 10 CICDRN CC[C@H](Nc1cccc2c1OCC2)c1ccc(C)cc1O ZINC000527960618 330300599 /nfs/dbraw/zinc/30/05/99/330300599.db2.gz ZRFOMXGGQPVJDJ-HNNXBMFYSA-N 0 0 283.371 4.199 20 10 CICDRN CC(C)([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1F ZINC000292881749 519324078 /nfs/dbraw/zinc/32/40/78/519324078.db2.gz XVMNEYDWULLPSI-UHFFFAOYSA-N 0 0 293.769 4.210 20 10 CICDRN CC(C)n1ccc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000280194939 520010201 /nfs/dbraw/zinc/01/02/01/520010201.db2.gz DJNXHWSJQGEUSN-UHFFFAOYSA-N 0 0 298.434 4.066 20 10 CICDRN CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062745926 520287780 /nfs/dbraw/zinc/28/77/80/520287780.db2.gz KIWHQIUBFKEXKA-NEPJUHHUSA-N 0 0 253.361 4.151 20 10 CICDRN CC[C@H]([NH2+]CCC(C)(F)F)c1cccc(Cl)c1[O-] ZINC000297485436 522577002 /nfs/dbraw/zinc/57/70/02/522577002.db2.gz ZPGHOMCMDRUXMC-NSHDSACASA-N 0 0 277.742 4.132 20 10 CICDRN COCc1cccc(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000036918313 523078148 /nfs/dbraw/zinc/07/81/48/523078148.db2.gz GRKCSYVCPHZGQO-ZDUSSCGKSA-N 0 0 271.360 4.020 20 10 CICDRN COCc1cccc(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000036917881 523081172 /nfs/dbraw/zinc/08/11/72/523081172.db2.gz YTVBHQBTOKKPJD-CYBMUJFWSA-N 0 0 271.360 4.020 20 10 CICDRN C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(F)cc1[O-] ZINC000062748505 525564902 /nfs/dbraw/zinc/56/49/02/525564902.db2.gz WUYDCEKHWFLMFV-IINYFYTJSA-N 0 0 291.391 4.321 20 10 CICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000020139285 171025879 /nfs/dbraw/zinc/02/58/79/171025879.db2.gz DXOJTTYXXFOEPI-UHFFFAOYSA-N 0 0 288.199 4.050 20 10 CICDRN CCc1ccccc1N[C@H](C)c1cc(C)ccc1O ZINC000035628696 172308521 /nfs/dbraw/zinc/30/85/21/172308521.db2.gz CJKFCPBYBOABJU-CYBMUJFWSA-N 0 0 255.361 4.436 20 10 CICDRN COc1cccc(CNc2ccc3ccccc3c2)c1O ZINC000036952027 172825473 /nfs/dbraw/zinc/82/54/73/172825473.db2.gz ABEUDODDBGEJHE-UHFFFAOYSA-N 0 0 279.339 4.166 20 10 CICDRN CSc1ccc(NCc2cc(C)ccc2O)cc1 ZINC000071403791 176155403 /nfs/dbraw/zinc/15/54/03/176155403.db2.gz RAAZOTYVYANZBK-UHFFFAOYSA-N 0 0 259.374 4.035 20 10 CICDRN C[C@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccccc1O ZINC000036933899 260053205 /nfs/dbraw/zinc/05/32/05/260053205.db2.gz DZHYHZZGEYMAIP-NSHDSACASA-N 0 0 285.343 4.073 20 10 CICDRN Nc1ccc(Cc2nc(C3CCCCC3)cs2)cc1 ZINC000088870839 260235082 /nfs/dbraw/zinc/23/50/82/260235082.db2.gz CPVMQWGNXAJBHN-UHFFFAOYSA-N 0 0 272.417 4.364 20 10 CICDRN CCOCc1cccc(N[C@@H](C)c2ccc(C)cc2O)c1 ZINC000186347619 262089705 /nfs/dbraw/zinc/08/97/05/262089705.db2.gz GRXFKDJIBKZFHS-AWEZNQCLSA-N 0 0 285.387 4.410 20 10 CICDRN C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(F)c(F)c1[O-] ZINC000276992164 263039106 /nfs/dbraw/zinc/03/91/06/263039106.db2.gz XPLXAVBSRZLBQV-LLVKDONJSA-N 0 0 289.325 4.010 20 10 CICDRN Fc1cccc(-c2cnc(CSc3nccs3)o2)c1 ZINC000177257464 329182488 /nfs/dbraw/zinc/18/24/88/329182488.db2.gz LRHNDRYQVSRMQE-UHFFFAOYSA-N 0 0 292.360 4.230 20 10 CICDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOc3c(C)cccc32)c1 ZINC000189465585 329380959 /nfs/dbraw/zinc/38/09/59/329380959.db2.gz FVWAKNNROARKIW-PBHICJAKSA-N 0 0 297.398 4.183 20 10 CICDRN Cc1ccc(O)c(CNc2cccc(C3CCOCC3)c2)c1 ZINC000527795940 330283989 /nfs/dbraw/zinc/28/39/89/330283989.db2.gz GCFFIJPMMHHVKG-UHFFFAOYSA-N 0 0 297.398 4.207 20 10 CICDRN CC[C@H](Nc1ccc(F)c(OC)c1)c1ccccc1O ZINC000160050157 330857568 /nfs/dbraw/zinc/85/75/68/330857568.db2.gz CZZWKWLGSMMSAI-AWEZNQCLSA-N 0 0 275.323 4.103 20 10 CICDRN CC(=O)Nc1cccc(N[C@@H](C)c2ccc(C)c(C)c2O)c1 ZINC000273446725 519744727 /nfs/dbraw/zinc/74/47/27/519744727.db2.gz FGOFHRWYMNYHQG-ZDUSSCGKSA-N 0 0 298.386 4.141 20 10 CICDRN COCc1cccc(N[C@@H](C)c2ccc(C)cc2O)c1 ZINC000036917882 523078397 /nfs/dbraw/zinc/07/83/97/523078397.db2.gz YTVBHQBTOKKPJD-ZDUSSCGKSA-N 0 0 271.360 4.020 20 10 CICDRN COc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1F ZINC000037290216 524701587 /nfs/dbraw/zinc/70/15/87/524701587.db2.gz QBGKUQGYJBPGJB-NSHDSACASA-N 0 0 275.323 4.021 20 10 CICDRN C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000062747714 525529434 /nfs/dbraw/zinc/52/94/34/525529434.db2.gz HKJQREFUPBFYDO-UWVGGRQHSA-N 0 0 295.304 4.221 20 10 CICDRN C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(F)cc1[O-] ZINC000062748508 525681043 /nfs/dbraw/zinc/68/10/43/525681043.db2.gz WUYDCEKHWFLMFV-YGRLFVJLSA-N 0 0 291.391 4.321 20 10 CICDRN C[C@@H](Nc1ccc(Cl)cc1)c1ccc(F)cc1O ZINC000062744869 525704781 /nfs/dbraw/zinc/70/47/81/525704781.db2.gz CQHUFLLZZGUNJC-SECBINFHSA-N 0 0 265.715 4.358 20 10 CICDRN CC(C)Oc1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000020472850 171215488 /nfs/dbraw/zinc/21/54/88/171215488.db2.gz ANZKHFVRDRIOCL-UHFFFAOYSA-N 0 0 291.778 4.445 20 10 CICDRN Cc1ccc([C@@H](C)Nc2cc(F)ccc2C)c(O)c1 ZINC000021518371 171314458 /nfs/dbraw/zinc/31/44/58/171314458.db2.gz KSGSFNVCJPLOCS-GFCCVEGCSA-N 0 0 259.324 4.321 20 10 CICDRN Cc1ccc(C)c(C(=O)[C@H](C)Sc2nccs2)c1 ZINC000040677273 174373773 /nfs/dbraw/zinc/37/37/73/174373773.db2.gz WJXPETTZUOSQNR-NSHDSACASA-N 0 0 277.414 4.123 20 10 CICDRN Brc1ccc(CSc2nccs2)cc1 ZINC000042209508 174658432 /nfs/dbraw/zinc/65/84/32/174658432.db2.gz QBUNRBHWVSDIKP-UHFFFAOYSA-N 0 0 286.219 4.198 20 10 CICDRN CSc1cccc(NCc2cc(C)ccc2O)c1 ZINC000071403637 176154779 /nfs/dbraw/zinc/15/47/79/176154779.db2.gz KOUXTYHDGPDJLU-UHFFFAOYSA-N 0 0 259.374 4.035 20 10 CICDRN C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccc(F)cc1[O-] ZINC000186207835 262084789 /nfs/dbraw/zinc/08/47/89/262084789.db2.gz JYJRNOCEAACSTA-UWVGGRQHSA-N 0 0 295.304 4.221 20 10 CICDRN CCOCc1cccc(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000186347551 262089609 /nfs/dbraw/zinc/08/96/09/262089609.db2.gz DKFFMQZLCCNMFC-GFCCVEGCSA-N 0 0 289.350 4.241 20 10 CICDRN CC[C@@H](c1ccccc1O)[NH+]1CCC(c2ccncc2)CC1 ZINC000377689976 329025063 /nfs/dbraw/zinc/02/50/63/329025063.db2.gz FTARYKQUVQEBOS-SFHVURJKSA-N 0 0 296.414 4.118 20 10 CICDRN Oc1cccc2c1[C@@H]([NH2+][C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527993434 330299348 /nfs/dbraw/zinc/29/93/48/330299348.db2.gz ULKHJXFUJQPTHB-HOTGVXAUSA-N 0 0 299.801 4.310 20 10 CICDRN CC[C@@H](Nc1cccc2c1OCC2)c1ccc(C)cc1O ZINC000527960619 330300582 /nfs/dbraw/zinc/30/05/82/330300582.db2.gz ZRFOMXGGQPVJDJ-OAHLLOKOSA-N 0 0 283.371 4.199 20 10 CICDRN CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062745929 520309142 /nfs/dbraw/zinc/30/91/42/520309142.db2.gz KIWHQIUBFKEXKA-NWDGAFQWSA-N 0 0 253.361 4.151 20 10 CICDRN CCC(=O)Nc1ccc(N[C@H](CC)c2ccccc2O)cc1 ZINC000192787032 521214899 /nfs/dbraw/zinc/21/48/99/521214899.db2.gz KVJSJSVBRVAEBZ-MRXNPFEDSA-N 0 0 298.386 4.304 20 10 CICDRN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290501685 523120687 /nfs/dbraw/zinc/12/06/87/523120687.db2.gz PEYWWGOOWRJGGY-HNNXBMFYSA-N 0 0 290.794 4.024 20 10 CICDRN C[C@H]([NH2+]C1CC(F)(F)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278744995 525288551 /nfs/dbraw/zinc/28/85/51/525288551.db2.gz NMLGRMSXBNORIJ-LURJTMIESA-N 0 0 296.144 4.147 20 10 CICDRN C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(F)cc1[O-] ZINC000273604877 525631477 /nfs/dbraw/zinc/63/14/77/525631477.db2.gz SZKKBMFRRRTYKG-QFYYESIMSA-N 0 0 289.325 4.009 20 10 CICDRN CC(=O)Nc1cc(N[C@H](C)c2cc(C)ccc2O)ccc1C ZINC000192831224 526928242 /nfs/dbraw/zinc/92/82/42/526928242.db2.gz NVHMSHDQXKRSJC-CYBMUJFWSA-N 0 0 298.386 4.141 20 10 CICDRN CCc1ccccc1N[C@H](C)c1cc(OC)ccc1O ZINC000019956696 170941302 /nfs/dbraw/zinc/94/13/02/170941302.db2.gz LIXBWDMGJMKTCY-GFCCVEGCSA-N 0 0 271.360 4.136 20 10 CICDRN CCOc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1 ZINC000035628514 172307211 /nfs/dbraw/zinc/30/72/11/172307211.db2.gz PYDJWMLEICFHEK-CYBMUJFWSA-N 0 0 271.360 4.272 20 10 CICDRN Cc1ccc(O)c([C@H](C)Nc2ccc(C)c(F)c2)c1 ZINC000035628694 172308110 /nfs/dbraw/zinc/30/81/10/172308110.db2.gz ZLDXQXPXIVLJQQ-LBPRGKRZSA-N 0 0 259.324 4.321 20 10 CICDRN C[C@@H](Nc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000037210550 173032467 /nfs/dbraw/zinc/03/24/67/173032467.db2.gz XBJYZYHPUTWCIE-GFCCVEGCSA-N 0 0 258.340 4.065 20 10 CICDRN Cc1ccc(NCc2cc(C)ccc2O)c(Cl)c1 ZINC000071406893 176156192 /nfs/dbraw/zinc/15/61/92/176156192.db2.gz JFYXDYAPFUOPDO-UHFFFAOYSA-N 0 0 261.752 4.275 20 10 CICDRN C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1c(F)cccc1F ZINC000037771679 260116312 /nfs/dbraw/zinc/11/63/12/260116312.db2.gz RVZOBCKQLJOESB-WDEREUQCSA-N 0 0 277.314 4.082 20 10 CICDRN C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1O ZINC000037771677 260116319 /nfs/dbraw/zinc/11/63/19/260116319.db2.gz RVZOBCKQLJOESB-QWRGUYRKSA-N 0 0 277.314 4.082 20 10 CICDRN CCOc1cccc(C[N@H+](C)[C@@H](C)c2cccs2)c1O ZINC000157824719 261153147 /nfs/dbraw/zinc/15/31/47/261153147.db2.gz WDCAXFIOLSGLSI-LBPRGKRZSA-N 0 0 291.416 4.045 20 10 CICDRN C[C@H](Nc1cccc(-c2cnco2)c1)c1cc(F)ccc1O ZINC000176985862 261325077 /nfs/dbraw/zinc/32/50/77/261325077.db2.gz PYYKLKLUZKDDBI-NSHDSACASA-N 0 0 298.317 4.359 20 10 CICDRN C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccc(F)cc1[O-] ZINC000185216358 262046367 /nfs/dbraw/zinc/04/63/67/262046367.db2.gz WDQAHYOFQPVRBM-HWPZZCPQSA-N 0 0 289.325 4.009 20 10 CICDRN COc1c(F)cc(N[C@H](C)c2ccc(C)cc2O)cc1F ZINC000186284800 262086885 /nfs/dbraw/zinc/08/68/85/262086885.db2.gz GJLCJJBRRUBKIY-SNVBAGLBSA-N 0 0 293.313 4.161 20 10 CICDRN CCOCc1cccc(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000186347705 262089708 /nfs/dbraw/zinc/08/97/08/262089708.db2.gz FVUQJVUZRRTMIJ-LBPRGKRZSA-N 0 0 289.350 4.241 20 10 CICDRN C[C@H](Nc1cccc2c1OCC2)c1ccc(Cl)cc1O ZINC000527959988 330300453 /nfs/dbraw/zinc/30/04/53/330300453.db2.gz QAGIKYKUFVVQHB-JTQLQIEISA-N 0 0 289.762 4.154 20 10 CICDRN Cc1c2ccccc2n(C)c1CNc1ncccc1Cl ZINC000490003460 332076273 /nfs/dbraw/zinc/07/62/73/332076273.db2.gz IOIROYQZTGJIPI-UHFFFAOYSA-N 0 0 285.778 4.147 20 10 CICDRN Cc1nn(C)c(C)c1N[C@H](C)c1ccc2ccccc2c1O ZINC000273495076 334766620 /nfs/dbraw/zinc/76/66/20/334766620.db2.gz XOCRXSRXRSOICT-LLVKDONJSA-N 0 0 295.386 4.069 20 10 CICDRN CC[C@H](CC(=O)Nc1ccc(N)cc1)c1ccc(C)cc1 ZINC000236938739 522108398 /nfs/dbraw/zinc/10/83/98/522108398.db2.gz AARJYKVSKNVBHM-CQSZACIVSA-N 0 0 282.387 4.100 20 10 CICDRN CC[C@H](Nc1ccc(N(C)C)cc1)c1ccccc1O ZINC000036335298 522768390 /nfs/dbraw/zinc/76/83/90/522768390.db2.gz HIHONHVHJLOWFQ-INIZCTEOSA-N 0 0 270.376 4.021 20 10 CICDRN Cc1ccc(N[C@H](C)c2ccc(F)cc2O)c(C)c1 ZINC000062744683 525316773 /nfs/dbraw/zinc/31/67/73/525316773.db2.gz IUJVMXJSMCCRFM-GFCCVEGCSA-N 0 0 259.324 4.321 20 10 CICDRN C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(F)cc1[O-] ZINC000062747343 525630090 /nfs/dbraw/zinc/63/00/90/525630090.db2.gz FUZJTODJEOWKIB-XIKOKIGWSA-N 0 0 285.362 4.333 20 10 CICDRN C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(F)cc1[O-] ZINC000062748506 525640882 /nfs/dbraw/zinc/64/08/82/525640882.db2.gz WUYDCEKHWFLMFV-QMTHXVAHSA-N 0 0 291.391 4.321 20 10 CICDRN C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000062747717 525656568 /nfs/dbraw/zinc/65/65/68/525656568.db2.gz HKJQREFUPBFYDO-NXEZZACHSA-N 0 0 295.304 4.221 20 10 CICDRN C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(F)cc1[O-] ZINC000062747345 525670361 /nfs/dbraw/zinc/67/03/61/525670361.db2.gz FUZJTODJEOWKIB-KZULUSFZSA-N 0 0 285.362 4.333 20 10 CICDRN Oc1c(Cl)cccc1CNc1cccc(-c2cc[nH]n2)c1 ZINC000158019247 526328936 /nfs/dbraw/zinc/32/89/36/526328936.db2.gz HCHVGFSUXQMFLF-UHFFFAOYSA-N 0 0 299.761 4.048 20 10 CICDRN CC(=O)Nc1cc(N[C@@H](C)c2ccc(C)cc2O)ccc1C ZINC000192827817 526928017 /nfs/dbraw/zinc/92/80/17/526928017.db2.gz QFJHMWWZFFAUPY-ZDUSSCGKSA-N 0 0 298.386 4.141 20 10 CICDRN CCN(CC)c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000005285392 170082858 /nfs/dbraw/zinc/08/28/58/170082858.db2.gz KOECQEGGMWDHEV-UHFFFAOYSA-N 0 0 265.360 4.076 20 10 CICDRN COc1cccc(CNc2cccc3ccccc32)c1O ZINC000019900856 170913171 /nfs/dbraw/zinc/91/31/71/170913171.db2.gz PUTLENJUOJDRDF-UHFFFAOYSA-N 0 0 279.339 4.166 20 10 CICDRN CC[C@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccccc1O ZINC000037771695 260116258 /nfs/dbraw/zinc/11/62/58/260116258.db2.gz AWDLZBXXJRBAQK-ABAIWWIYSA-N 0 0 291.341 4.472 20 10 CICDRN C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccccc1O ZINC000037771680 260116281 /nfs/dbraw/zinc/11/62/81/260116281.db2.gz RVZOBCKQLJOESB-GHMZBOCLSA-N 0 0 277.314 4.082 20 10 CICDRN CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1O ZINC000037771694 260116310 /nfs/dbraw/zinc/11/63/10/260116310.db2.gz AWDLZBXXJRBAQK-XHDPSFHLSA-N 0 0 291.341 4.472 20 10 CICDRN Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)c1 ZINC000037771973 260116330 /nfs/dbraw/zinc/11/63/30/260116330.db2.gz YCFXFDBPKFSVFU-RYUDHWBXSA-N 0 0 291.341 4.391 20 10 CICDRN Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000301132679 261329697 /nfs/dbraw/zinc/32/96/97/261329697.db2.gz XDMUHXLTLZOLRR-CYBMUJFWSA-N 0 0 299.374 4.142 20 10 CICDRN C[C@@H](Nc1cccc(COCC2CC2)c1)c1ccccc1O ZINC000183653119 261983284 /nfs/dbraw/zinc/98/32/84/261983284.db2.gz QULQXJWDJFNSSJ-CQSZACIVSA-N 0 0 297.398 4.492 20 10 CICDRN C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1cccnc1 ZINC000184883143 262032290 /nfs/dbraw/zinc/03/22/90/262032290.db2.gz ZXZVNCFGBVJJTL-ZIAGYGMSSA-N 0 0 296.414 4.078 20 10 CICDRN C[C@H](Sc1ncc(C(C)(C)C)s1)c1cnccn1 ZINC000186240720 262085548 /nfs/dbraw/zinc/08/55/48/262085548.db2.gz VTYNBNCLPRVEAO-VIFPVBQESA-N 0 0 279.434 4.084 20 10 CICDRN C[C@H]([NH2+]C1(c2ccccc2F)CC1)c1ccc(F)cc1[O-] ZINC000186322464 262088986 /nfs/dbraw/zinc/08/89/86/262088986.db2.gz YVMRLTJIUFIXTA-NSHDSACASA-N 0 0 289.325 4.010 20 10 CICDRN CC(C)(C)c1csc(CSc2nccs2)n1 ZINC000154614263 327587150 /nfs/dbraw/zinc/58/71/50/327587150.db2.gz PTMGRFWALBXIES-UHFFFAOYSA-N 0 0 270.448 4.189 20 10 CICDRN CC[C@H]([NH2+]CC1CC=CC1)c1cccc(Cl)c1[O-] ZINC000527949495 330294315 /nfs/dbraw/zinc/29/43/15/330294315.db2.gz NVNJSBTXPZMPGX-AWEZNQCLSA-N 0 0 265.784 4.053 20 10 CICDRN CC[C@@H](Nc1cccc2c1OCC2)c1ccc(F)cc1O ZINC000527959899 330300549 /nfs/dbraw/zinc/30/05/49/330300549.db2.gz OWGYOLNPBHDWTA-CQSZACIVSA-N 0 0 287.334 4.029 20 10 CICDRN Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000527966068 330301086 /nfs/dbraw/zinc/30/10/86/330301086.db2.gz NOJBICUTMZBKFT-IFXJQAMLSA-N 0 0 296.414 4.288 20 10 CICDRN CCOc1ccc(C(C)=O)cc1CSc1nccs1 ZINC000040677291 520924897 /nfs/dbraw/zinc/92/48/97/520924897.db2.gz IBJZSLDTLHRYBG-UHFFFAOYSA-N 0 0 293.413 4.037 20 10 CICDRN COc1ccc(O)c([C@@H](C)Nc2cccc(SC)c2)c1 ZINC000019900619 524770075 /nfs/dbraw/zinc/77/00/75/524770075.db2.gz SYOHJCKCGPNBEQ-LLVKDONJSA-N 0 0 289.400 4.296 20 10 CICDRN Cc1ccc(O)c([C@@H](C)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000295116957 525363614 /nfs/dbraw/zinc/36/36/14/525363614.db2.gz XZSSERWVUDMTPU-GDBMZVCRSA-N 0 0 297.398 4.378 20 10 CICDRN C[C@H](Nc1cccc(Br)c1)c1ccccc1O ZINC000019941737 170934268 /nfs/dbraw/zinc/93/42/68/170934268.db2.gz BJLXDEDPICSKOR-JTQLQIEISA-N 0 0 292.176 4.328 20 10 CICDRN C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccccc1O ZINC000020429886 171195289 /nfs/dbraw/zinc/19/52/89/171195289.db2.gz WDBXFPPVAGDALA-SECBINFHSA-N 0 0 265.715 4.358 20 10 CICDRN Nc1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000021991254 171346547 /nfs/dbraw/zinc/34/65/47/171346547.db2.gz CNDXUZFEBZCFRS-UHFFFAOYSA-N 0 0 277.327 4.066 20 10 CICDRN CCOc1ccccc1N[C@@H](C)c1cc(C)ccc1O ZINC000035628527 172307339 /nfs/dbraw/zinc/30/73/39/172307339.db2.gz DVMOJFXCSISOND-ZDUSSCGKSA-N 0 0 271.360 4.272 20 10 CICDRN CCc1cccc(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000035628707 172308273 /nfs/dbraw/zinc/30/82/73/172308273.db2.gz VWPQPJXGXSLWGR-ZDUSSCGKSA-N 0 0 255.361 4.436 20 10 CICDRN COc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1F ZINC000035629059 172309075 /nfs/dbraw/zinc/30/90/75/172309075.db2.gz WYWIAIHZDXMFBT-LLVKDONJSA-N 0 0 275.323 4.021 20 10 CICDRN Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nccs2)c1 ZINC000040677272 174373912 /nfs/dbraw/zinc/37/39/12/174373912.db2.gz WJXPETTZUOSQNR-LLVKDONJSA-N 0 0 277.414 4.123 20 10 CICDRN Cc1ccc(O)c(CNc2ccc(C)c(Cl)c2)c1 ZINC000071403645 176154781 /nfs/dbraw/zinc/15/47/81/176154781.db2.gz LHFPUKMJEWJSLH-UHFFFAOYSA-N 0 0 261.752 4.275 20 10 CICDRN Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2c(F)cccc2F)c1 ZINC000037771975 260116289 /nfs/dbraw/zinc/11/62/89/260116289.db2.gz YCFXFDBPKFSVFU-NWDGAFQWSA-N 0 0 291.341 4.391 20 10 CICDRN CCOCc1cccc(N[C@@H](CC)c2ccccc2O)c1 ZINC000157418526 261145988 /nfs/dbraw/zinc/14/59/88/261145988.db2.gz FITLUBYDNXYLAB-KRWDZBQOSA-N 0 0 285.387 4.492 20 10 CICDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 ZINC000163655550 261324902 /nfs/dbraw/zinc/32/49/02/261324902.db2.gz CSRQMYRUMSJIAJ-HNAYVOBHSA-N 0 0 297.446 4.340 20 10 CICDRN Cc1cnc(CSc2ncc(C(C)(C)C)s2)o1 ZINC000163987291 327716811 /nfs/dbraw/zinc/71/68/11/327716811.db2.gz DPEVKFANAYBECQ-UHFFFAOYSA-N 0 0 268.407 4.029 20 10 CICDRN CC[C@H](c1ccncc1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290501689 522965768 /nfs/dbraw/zinc/96/57/68/522965768.db2.gz PEYWWGOOWRJGGY-OAHLLOKOSA-N 0 0 290.794 4.024 20 10 CICDRN COc1ccc(O)c([C@H](C)Nc2cccc(SC)c2)c1 ZINC000019900620 524773930 /nfs/dbraw/zinc/77/39/30/524773930.db2.gz SYOHJCKCGPNBEQ-NSHDSACASA-N 0 0 289.400 4.296 20 10 CICDRN Cc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1F ZINC000062744915 525317186 /nfs/dbraw/zinc/31/71/86/525317186.db2.gz AIOVIEOBWVWBQF-SNVBAGLBSA-N 0 0 263.287 4.152 20 10 CICDRN C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278744997 525394431 /nfs/dbraw/zinc/39/44/31/525394431.db2.gz NMLGRMSXBNORIJ-ZCFIWIBFSA-N 0 0 296.144 4.147 20 10 CICDRN C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(F)cc1[O-] ZINC000062747344 525597488 /nfs/dbraw/zinc/59/74/88/525597488.db2.gz FUZJTODJEOWKIB-KPZWWZAWSA-N 0 0 285.362 4.333 20 10 CICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(F)cc1[O-] ZINC000062746259 525609885 /nfs/dbraw/zinc/60/98/85/525609885.db2.gz BAVTWSSMEWUSRO-VHSXEESVSA-N 0 0 295.304 4.221 20 10 CICDRN CC[C@@H](Nc1cc(C)ccc1F)c1ccccc1O ZINC000020471674 171214587 /nfs/dbraw/zinc/21/45/87/171214587.db2.gz BVYRIUDIMXAKDG-CQSZACIVSA-N 0 0 259.324 4.403 20 10 CICDRN CC(C)Oc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000020472909 171215897 /nfs/dbraw/zinc/21/58/97/171215897.db2.gz LITPGGAFIPKNJG-ZDUSSCGKSA-N 0 0 271.360 4.353 20 10 CICDRN CCc1ccccc1N[C@@H](C)c1cc(C)ccc1O ZINC000035628695 172308523 /nfs/dbraw/zinc/30/85/23/172308523.db2.gz CJKFCPBYBOABJU-ZDUSSCGKSA-N 0 0 255.361 4.436 20 10 CICDRN Cc1ccc(O)c(CNc2ccc(C(C)C)cc2)c1 ZINC000071403924 176155394 /nfs/dbraw/zinc/15/53/94/176155394.db2.gz QQIUPBLTHXLRDQ-UHFFFAOYSA-N 0 0 255.361 4.436 20 10 CICDRN C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1cccnc1 ZINC000184883106 262032243 /nfs/dbraw/zinc/03/22/43/262032243.db2.gz ZXZVNCFGBVJJTL-KGLIPLIRSA-N 0 0 296.414 4.078 20 10 CICDRN C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(F)cc1[O-] ZINC000186207887 262084322 /nfs/dbraw/zinc/08/43/22/262084322.db2.gz JYJRNOCEAACSTA-NXEZZACHSA-N 0 0 295.304 4.221 20 10 CICDRN CCc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000185026362 262301143 /nfs/dbraw/zinc/30/11/43/262301143.db2.gz YSCANHCXJKNDBI-JTQLQIEISA-N 0 0 279.380 4.006 20 10 CICDRN Cc1ccc([C@H](C)[NH2+][C@H]2CCOc3c(C)cccc32)c(O)c1 ZINC000189460611 329381069 /nfs/dbraw/zinc/38/10/69/329381069.db2.gz VJDNLXRJVKPIFZ-YOEHRIQHSA-N 0 0 297.398 4.183 20 10 CICDRN Cc1c2ccccc2n(C)c1CNc1ccc(Cl)cn1 ZINC000468067665 331427893 /nfs/dbraw/zinc/42/78/93/331427893.db2.gz GELZFZHNWZIFPC-UHFFFAOYSA-N 0 0 285.778 4.147 20 10 CICDRN Cc1c2ccccc2n(C)c1CNC(=O)C1CCCCCC1 ZINC000471233865 331504446 /nfs/dbraw/zinc/50/44/46/331504446.db2.gz FXEZWJVHPWAXJJ-UHFFFAOYSA-N 0 0 298.430 4.073 20 10 CICDRN CC[C@@H](CC(=O)Nc1ccc(N)cc1)c1ccc(C)cc1 ZINC000236933629 522480120 /nfs/dbraw/zinc/48/01/20/522480120.db2.gz AARJYKVSKNVBHM-AWEZNQCLSA-N 0 0 282.387 4.100 20 10 CICDRN COc1cc(SC)ccc1NCc1cccc(C)c1O ZINC000195197818 522900619 /nfs/dbraw/zinc/90/06/19/522900619.db2.gz WTVHRBRMOJOFOU-UHFFFAOYSA-N 0 0 289.400 4.043 20 10 CICDRN COc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1F ZINC000037290215 524706926 /nfs/dbraw/zinc/70/69/26/524706926.db2.gz QBGKUQGYJBPGJB-LLVKDONJSA-N 0 0 275.323 4.021 20 10 CICDRN Cc1c(N[C@@H]2CCc3cccc(O)c32)cnn1C1CCCC1 ZINC000296613504 525874366 /nfs/dbraw/zinc/87/43/66/525874366.db2.gz YPNIXNWBLQXWCB-OAHLLOKOSA-N 0 0 297.402 4.112 20 10 CICDRN CSc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000296670242 533028512 /nfs/dbraw/zinc/02/85/12/533028512.db2.gz FUJZLDNQQIGIJL-CQSZACIVSA-N 0 0 271.385 4.214 20 10 CICDRN CN(C)c1ccc(CNc2cccc(Cl)c2)cc1 ZINC000008701768 170347103 /nfs/dbraw/zinc/34/71/03/170347103.db2.gz HDXLMGPFTCHNQN-UHFFFAOYSA-N 0 0 260.768 4.018 20 10 CICDRN Cc1ccc([C@H](C)Nc2cc(C)ccc2C)c(O)c1 ZINC000021047600 171294443 /nfs/dbraw/zinc/29/44/43/171294443.db2.gz KYNAYMYQAWQRQX-AWEZNQCLSA-N 0 0 255.361 4.491 20 10 CICDRN Cc1ccc([C@H](C)Nc2cc(F)ccc2C)c(O)c1 ZINC000021518372 171314460 /nfs/dbraw/zinc/31/44/60/171314460.db2.gz KSGSFNVCJPLOCS-LBPRGKRZSA-N 0 0 259.324 4.321 20 10 CICDRN CC(C)COc1ccccc1NCc1ccccc1O ZINC000037780060 173710299 /nfs/dbraw/zinc/71/02/99/173710299.db2.gz PXBKYUUSACEDGR-UHFFFAOYSA-N 0 0 271.360 4.039 20 10 CICDRN Cc1ccc(O)c(CNc2cccc(Cl)c2C)c1 ZINC000071403755 176155487 /nfs/dbraw/zinc/15/54/87/176155487.db2.gz FRTUDYDDYULMQN-UHFFFAOYSA-N 0 0 261.752 4.275 20 10 CICDRN CCCc1ccccc1NCc1cc(C)ccc1O ZINC000071407425 176156114 /nfs/dbraw/zinc/15/61/14/176156114.db2.gz SBLOZBWLCMJWQX-UHFFFAOYSA-N 0 0 255.361 4.265 20 10 CICDRN CC[C@@H]([NH2+][C@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 ZINC000163655784 261324227 /nfs/dbraw/zinc/32/42/27/261324227.db2.gz CSRQMYRUMSJIAJ-DNVCBOLYSA-N 0 0 297.446 4.340 20 10 CICDRN Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000301132680 261329745 /nfs/dbraw/zinc/32/97/45/261329745.db2.gz XDMUHXLTLZOLRR-ZDUSSCGKSA-N 0 0 299.374 4.142 20 10 CICDRN C[C@H](Nc1cccc(COCC2CC2)c1)c1ccccc1O ZINC000183653100 261983267 /nfs/dbraw/zinc/98/32/67/261983267.db2.gz QULQXJWDJFNSSJ-AWEZNQCLSA-N 0 0 297.398 4.492 20 10 CICDRN C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccc(F)cc1[O-] ZINC000186207869 262084409 /nfs/dbraw/zinc/08/44/09/262084409.db2.gz JYJRNOCEAACSTA-ZJUUUORDSA-N 0 0 295.304 4.221 20 10 CICDRN CCOCc1cccc(N[C@@H](C)c2ccc(F)cc2O)c1 ZINC000186347535 262089553 /nfs/dbraw/zinc/08/95/53/262089553.db2.gz DKFFMQZLCCNMFC-LBPRGKRZSA-N 0 0 289.350 4.241 20 10 CICDRN CC(C)(C)c1cnc(SCOCC(F)(F)F)s1 ZINC000278688722 328229420 /nfs/dbraw/zinc/22/94/20/328229420.db2.gz ZFRHCCRMWRBTSO-UHFFFAOYSA-N 0 0 285.356 4.069 20 10 CICDRN Cc1ccc([C@@H](C)Nc2cccc3c2OCC3)c(O)c1C ZINC000527958075 330294753 /nfs/dbraw/zinc/29/47/53/330294753.db2.gz DYNBAQKSWZABRK-CYBMUJFWSA-N 0 0 283.371 4.117 20 10 CICDRN COc1cc(N[C@@H](C)c2cc(C)ccc2O)ccc1F ZINC000160027011 330857122 /nfs/dbraw/zinc/85/71/22/330857122.db2.gz PYEPHMNVNAVBSO-NSHDSACASA-N 0 0 275.323 4.021 20 10 CICDRN CC(C)[C@H](CC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000236648130 519813660 /nfs/dbraw/zinc/81/36/60/519813660.db2.gz XFCKXWIWVHXABE-KRWDZBQOSA-N 0 0 282.387 4.037 20 10 CICDRN COc1cc(CSc2nccs2)ccc1SC ZINC000068051294 522504162 /nfs/dbraw/zinc/50/41/62/522504162.db2.gz MVFBTTPOGIYAPA-UHFFFAOYSA-N 0 0 283.443 4.166 20 10 CICDRN CC[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccccc1O ZINC000295101895 522957341 /nfs/dbraw/zinc/95/73/41/522957341.db2.gz WCVGKXNHZSNKGC-MAUKXSAKSA-N 0 0 297.398 4.459 20 10 CICDRN CSc1ccccc1NCc1cccc(C)c1O ZINC000083433146 178446787 /nfs/dbraw/zinc/44/67/87/178446787.db2.gz BZJMAHDSBGVJLY-UHFFFAOYSA-N 0 0 259.374 4.035 20 10 CICDRN CN(C)c1ccc(CNc2ccnc3c(F)cccc23)cc1 ZINC000302682192 529782218 /nfs/dbraw/zinc/78/22/18/529782218.db2.gz PMQXKNUBODTJGM-UHFFFAOYSA-N 0 0 295.361 4.052 20 10 CICDRN CCN(CC)c1ccc(CNc2ccc(C)cc2)cc1 ZINC000008701751 170346953 /nfs/dbraw/zinc/34/69/53/170346953.db2.gz AWTHURYVRBBHOB-UHFFFAOYSA-N 0 0 268.404 4.453 20 10 CICDRN Cc1cc(-c2csc(N)n2)c(C)n1-c1cccc(C)c1 ZINC000009330709 170372294 /nfs/dbraw/zinc/37/22/94/170372294.db2.gz FKWDFZSCFOKEIH-UHFFFAOYSA-N 0 0 283.400 4.108 20 10 CICDRN CCOc1ccccc1N[C@@H](C)c1ccc(C)cc1O ZINC000020087352 170988224 /nfs/dbraw/zinc/98/82/24/170988224.db2.gz SUMAUDJAKJULCJ-ZDUSSCGKSA-N 0 0 271.360 4.272 20 10 CICDRN CC[C@H](Nc1cc(C)ccc1F)c1ccccc1O ZINC000020471675 171214473 /nfs/dbraw/zinc/21/44/73/171214473.db2.gz BVYRIUDIMXAKDG-AWEZNQCLSA-N 0 0 259.324 4.403 20 10 CICDRN COc1ccc(O)c([C@H](C)Nc2cc(C)ccc2F)c1 ZINC000020471702 171214698 /nfs/dbraw/zinc/21/46/98/171214698.db2.gz RETHBAVTQGTRJW-NSHDSACASA-N 0 0 275.323 4.021 20 10 CICDRN CSc1ccccc1NCc1cc(C)ccc1O ZINC000071407355 176156342 /nfs/dbraw/zinc/15/63/42/176156342.db2.gz UTYSDKIZVHWKIV-UHFFFAOYSA-N 0 0 259.374 4.035 20 10 CICDRN CCc1ccc(NCc2cc(Cl)cc(OC)c2O)cc1 ZINC000076274088 176967473 /nfs/dbraw/zinc/96/74/73/176967473.db2.gz YKAJQSVZOOXGIX-UHFFFAOYSA-N 0 0 291.778 4.229 20 10 CICDRN C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1O ZINC000037771678 260116297 /nfs/dbraw/zinc/11/62/97/260116297.db2.gz RVZOBCKQLJOESB-MNOVXSKESA-N 0 0 277.314 4.082 20 10 CICDRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)c(O)c1 ZINC000037771986 260116389 /nfs/dbraw/zinc/11/63/89/260116389.db2.gz LRZMLTUFHSHZEY-NEPJUHHUSA-N 0 0 291.341 4.391 20 10 CICDRN CC(C)(C)c1cnc(SCc2nccs2)s1 ZINC000163291813 261311859 /nfs/dbraw/zinc/31/18/59/261311859.db2.gz RYJNDPRNFZXPFZ-UHFFFAOYSA-N 0 0 270.448 4.189 20 10 CICDRN Cc1noc(C)c1-c1csc(-c2ccc(N(C)C)cc2)n1 ZINC000186993176 262119706 /nfs/dbraw/zinc/11/97/06/262119706.db2.gz PXVAYAXNUXXNMM-UHFFFAOYSA-N 0 0 299.399 4.148 20 10 CICDRN CCc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000185026378 262301314 /nfs/dbraw/zinc/30/13/14/262301314.db2.gz YSCANHCXJKNDBI-SNVBAGLBSA-N 0 0 279.380 4.006 20 10 CICDRN CC[C@H]([NH2+]CCCC(C)(F)F)c1ccc(F)cc1[O-] ZINC000297330795 263203533 /nfs/dbraw/zinc/20/35/33/263203533.db2.gz NYJCBRZNFQDWHH-LBPRGKRZSA-N 0 0 275.314 4.007 20 10 CICDRN Cc1ccn(-c2ccccc2N[C@H](C)c2ccccc2O)n1 ZINC000183668677 329251870 /nfs/dbraw/zinc/25/18/70/329251870.db2.gz IMPDGBLMGUVAKY-CQSZACIVSA-N 0 0 293.370 4.059 20 10 CICDRN Cc1c(C)n(C)c2ccc(OCc3ncc(C4CC4)o3)cc12 ZINC000421202822 329805534 /nfs/dbraw/zinc/80/55/34/329805534.db2.gz QRMPMXZIDNAJEK-UHFFFAOYSA-N 0 0 296.370 4.240 20 10 CICDRN Cc1ccc([C@H](C)Nc2cccc3c2OCC3)c(O)c1C ZINC000527958079 330294788 /nfs/dbraw/zinc/29/47/88/330294788.db2.gz DYNBAQKSWZABRK-ZDUSSCGKSA-N 0 0 283.371 4.117 20 10 CICDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000527966072 330301047 /nfs/dbraw/zinc/30/10/47/330301047.db2.gz NOJBICUTMZBKFT-KUHUBIRLSA-N 0 0 296.414 4.288 20 10 CICDRN CC[C@@H](Nc1ccc(F)c(OC)c1)c1ccccc1O ZINC000160050297 330857584 /nfs/dbraw/zinc/85/75/84/330857584.db2.gz CZZWKWLGSMMSAI-CQSZACIVSA-N 0 0 275.323 4.103 20 10 CICDRN CC[C@H](Nc1ccc(NC(C)=O)cc1)c1ccc(C)cc1O ZINC000280054305 522767376 /nfs/dbraw/zinc/76/73/76/522767376.db2.gz JUDWRRLMFMNQMC-KRWDZBQOSA-N 0 0 298.386 4.222 20 10 CICDRN C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000276183077 525693226 /nfs/dbraw/zinc/69/32/26/525693226.db2.gz KJMCPIKUYCNWJF-BMIGLBTASA-N 0 0 289.325 4.009 20 10 CICDRN CC(C)C(=O)Nc1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000192802357 527547378 /nfs/dbraw/zinc/54/73/78/527547378.db2.gz LIJFFOZGMNEYCE-ZDUSSCGKSA-N 0 0 298.386 4.160 20 10 CICDRN CSc1ccc(NCc2cccc(C)c2O)cc1 ZINC000083433136 178447376 /nfs/dbraw/zinc/44/73/76/178447376.db2.gz BPAKKBWFYMRYSF-UHFFFAOYSA-N 0 0 259.374 4.035 20 10 CICDRN COc1ccc(O)c([C@H](C)Nc2ccc(C)cc2C)c1 ZINC000019877481 170906187 /nfs/dbraw/zinc/90/61/87/170906187.db2.gz VFTCTMKYGHGWJG-ZDUSSCGKSA-N 0 0 271.360 4.191 20 10 CICDRN CSc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000019906376 170918471 /nfs/dbraw/zinc/91/84/71/170918471.db2.gz QELREQFASOHIJP-LLVKDONJSA-N 0 0 259.374 4.287 20 10 CICDRN COc1ccc(O)c([C@H](C)Nc2ccc(Cl)cc2)c1 ZINC000019921206 170928655 /nfs/dbraw/zinc/92/86/55/170928655.db2.gz IOIQRWXMNAWJSN-JTQLQIEISA-N 0 0 277.751 4.227 20 10 CICDRN C[C@H](Nc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000037210549 173032397 /nfs/dbraw/zinc/03/23/97/173032397.db2.gz XBJYZYHPUTWCIE-LBPRGKRZSA-N 0 0 258.340 4.065 20 10 CICDRN COc1cc(Cl)cc(CNc2cccc(Cl)c2)c1O ZINC000076274113 176967269 /nfs/dbraw/zinc/96/72/69/176967269.db2.gz IXJSVJOOGYGLBW-UHFFFAOYSA-N 0 0 298.169 4.320 20 10 CICDRN Cc1ccc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2F)c(O)c1 ZINC000037771989 260116267 /nfs/dbraw/zinc/11/62/67/260116267.db2.gz LRZMLTUFHSHZEY-NWDGAFQWSA-N 0 0 291.341 4.391 20 10 CICDRN C[C@@H](Nc1cccc(-c2cnco2)c1)c1cc(F)ccc1O ZINC000176985876 261325296 /nfs/dbraw/zinc/32/52/96/261325296.db2.gz PYYKLKLUZKDDBI-LLVKDONJSA-N 0 0 298.317 4.359 20 10 CICDRN C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc2c(cc1O)CCCC2 ZINC000184883126 262032486 /nfs/dbraw/zinc/03/24/86/262032486.db2.gz ZXZVNCFGBVJJTL-UONOGXRCSA-N 0 0 296.414 4.078 20 10 CICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cccc(F)c1F ZINC000186207849 262084699 /nfs/dbraw/zinc/08/46/99/262084699.db2.gz JYJRNOCEAACSTA-VHSXEESVSA-N 0 0 295.304 4.221 20 10 CICDRN COc1cc(C)c(N[C@H](C)c2ccccc2O)cc1F ZINC000186564166 262098742 /nfs/dbraw/zinc/09/87/42/262098742.db2.gz PTGFZJBORKJWGP-LLVKDONJSA-N 0 0 275.323 4.021 20 10 CICDRN Cc1cc([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)ccc1F ZINC000296699051 263195612 /nfs/dbraw/zinc/19/56/12/263195612.db2.gz HPBVFSGFCDTAAY-WBMJQRKESA-N 0 0 285.362 4.178 20 10 CICDRN CC[N@H+](Cc1cccc(Cl)c1[O-])[C@H](C)c1cccnc1 ZINC000290588892 328259641 /nfs/dbraw/zinc/25/96/41/328259641.db2.gz VDEBSNUMZOGQIM-GFCCVEGCSA-N 0 0 290.794 4.024 20 10 CICDRN Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000527966076 330301125 /nfs/dbraw/zinc/30/11/25/330301125.db2.gz NOJBICUTMZBKFT-LIRRHRJNSA-N 0 0 296.414 4.288 20 10 CICDRN CCc1cnc(NCc2c(C)c3ccccc3n2C)s1 ZINC000468069362 331427891 /nfs/dbraw/zinc/42/78/91/331427891.db2.gz CTUGDMKXIHJUKU-UHFFFAOYSA-N 0 0 285.416 4.118 20 10 CICDRN CCC(=O)Nc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1 ZINC000192786538 521215039 /nfs/dbraw/zinc/21/50/39/521215039.db2.gz DYZOMSSCYUUXIK-CYBMUJFWSA-N 0 0 298.386 4.222 20 10 CICDRN CC[C@@H](Nc1ccc(NC(C)=O)cc1)c1ccc(C)cc1O ZINC000280054309 522958452 /nfs/dbraw/zinc/95/84/52/522958452.db2.gz JUDWRRLMFMNQMC-QGZVFWFLSA-N 0 0 298.386 4.222 20 10 CICDRN COCc1cccc(N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000037270577 523080436 /nfs/dbraw/zinc/08/04/36/523080436.db2.gz POOZLLTUYNOTSG-CQSZACIVSA-N 0 0 284.403 4.072 20 10 CICDRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2O)c(F)c1 ZINC000062745456 525310094 /nfs/dbraw/zinc/31/00/94/525310094.db2.gz SROKGZFGGZBSGQ-JTQLQIEISA-N 0 0 263.287 4.152 20 10 CICDRN C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000276183084 525634758 /nfs/dbraw/zinc/63/47/58/525634758.db2.gz KJMCPIKUYCNWJF-BONVTDFDSA-N 0 0 289.325 4.009 20 10 CICDRN c1cc2c(ccnc2NCc2ccc(N3CCCC3)cc2)o1 ZINC000265991375 526441403 /nfs/dbraw/zinc/44/14/03/526441403.db2.gz IMUZSFBMKITKPN-UHFFFAOYSA-N 0 0 293.370 4.040 20 10 CICDRN CC(=O)Nc1cc(N[C@@H](C)c2cc(C)ccc2O)ccc1C ZINC000192831237 526928131 /nfs/dbraw/zinc/92/81/31/526928131.db2.gz NVHMSHDQXKRSJC-ZDUSSCGKSA-N 0 0 298.386 4.141 20 10 CICDRN Cc1cc(-c2csc(N)n2)c(C)n1-c1ccccc1C ZINC000009330699 170372252 /nfs/dbraw/zinc/37/22/52/170372252.db2.gz LHMRNIHBVHHGBG-UHFFFAOYSA-N 0 0 283.400 4.108 20 10 CICDRN COc1ccc(Cl)cc1N[C@@H](C)c1ccccc1O ZINC000019914121 170924415 /nfs/dbraw/zinc/92/44/15/170924415.db2.gz OTXRIMOMRJBAOJ-JTQLQIEISA-N 0 0 277.751 4.227 20 10 CICDRN C[C@@H](Nc1ccc(Br)cc1)c1ccccc1O ZINC000019923060 170929359 /nfs/dbraw/zinc/92/93/59/170929359.db2.gz DNIWQYIOYDAMRC-SNVBAGLBSA-N 0 0 292.176 4.328 20 10 CICDRN C[C@H](Nc1ccc(Br)cc1)c1ccccc1O ZINC000019923063 170929423 /nfs/dbraw/zinc/92/94/23/170929423.db2.gz DNIWQYIOYDAMRC-JTQLQIEISA-N 0 0 292.176 4.328 20 10 CICDRN CC[C@H](Nc1cc(F)ccc1C)c1ccccc1O ZINC000019953616 170940526 /nfs/dbraw/zinc/94/05/26/170940526.db2.gz VPKRISVGZOTOAF-AWEZNQCLSA-N 0 0 259.324 4.403 20 10 CICDRN CC[C@@H](Nc1ccc(C)c(F)c1)c1ccccc1O ZINC000019956088 170941343 /nfs/dbraw/zinc/94/13/43/170941343.db2.gz ZNTQVEIHQGEBFH-OAHLLOKOSA-N 0 0 259.324 4.403 20 10 CICDRN Cc1ccc([C@@H](C)Nc2ccc(F)c(F)c2)c(O)c1 ZINC000020089482 170989309 /nfs/dbraw/zinc/98/93/09/170989309.db2.gz ZRYLFELWFOVEAP-SNVBAGLBSA-N 0 0 263.287 4.152 20 10 CICDRN Cc1ccc(N[C@H](C)c2ccc(C)cc2O)c(C)c1 ZINC000021031679 171292087 /nfs/dbraw/zinc/29/20/87/171292087.db2.gz VUQZOIMTPYFVQR-CQSZACIVSA-N 0 0 255.361 4.491 20 10 CICDRN Cc1ccc([C@@H](C)Nc2cc(C)ccc2C)c(O)c1 ZINC000021047594 171294581 /nfs/dbraw/zinc/29/45/81/171294581.db2.gz KYNAYMYQAWQRQX-CQSZACIVSA-N 0 0 255.361 4.491 20 10 CICDRN CCOc1ccccc1N[C@H](C)c1cc(C)ccc1O ZINC000035628528 172307330 /nfs/dbraw/zinc/30/73/30/172307330.db2.gz DVMOJFXCSISOND-CYBMUJFWSA-N 0 0 271.360 4.272 20 10 CICDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2F)c1 ZINC000037771974 260116295 /nfs/dbraw/zinc/11/62/95/260116295.db2.gz YCFXFDBPKFSVFU-VXGBXAGGSA-N 0 0 291.341 4.391 20 10 CICDRN Cc1ccnn1-c1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000367819340 267120046 /nfs/dbraw/zinc/12/00/46/267120046.db2.gz LKTOWZFYGUFWTB-AWEZNQCLSA-N 0 0 293.370 4.059 20 10 CICDRN Oc1cccc2c1[C@H]([NH2+][C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000527993435 330299324 /nfs/dbraw/zinc/29/93/24/330299324.db2.gz ULKHJXFUJQPTHB-JKSUJKDBSA-N 0 0 299.801 4.310 20 10 CICDRN CC[C@H](Nc1cccc2c1OCC2)c1ccc(F)cc1O ZINC000527959897 330300466 /nfs/dbraw/zinc/30/04/66/330300466.db2.gz OWGYOLNPBHDWTA-AWEZNQCLSA-N 0 0 287.334 4.029 20 10 CICDRN C[C@@H](Nc1cccc2c1OCC2)c1cc(Cl)ccc1O ZINC000527960234 330300486 /nfs/dbraw/zinc/30/04/86/330300486.db2.gz WRNRYTAIBWPENO-SNVBAGLBSA-N 0 0 289.762 4.154 20 10 CICDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000527966060 330301091 /nfs/dbraw/zinc/30/10/91/330301091.db2.gz NOJBICUTMZBKFT-AUUYWEPGSA-N 0 0 296.414 4.288 20 10 CICDRN CCC1(C(=O)NCc2c(C)c3ccccc3n2C)CCCC1 ZINC000471225507 331504098 /nfs/dbraw/zinc/50/40/98/331504098.db2.gz BWBNDEZQONNWPM-UHFFFAOYSA-N 0 0 298.430 4.073 20 10 CICDRN CSc1ccc(NCc2c(C)c3ccccc3n2C)nc1 ZINC000489962896 332074811 /nfs/dbraw/zinc/07/48/11/332074811.db2.gz CSWFUSIUHKGSFX-UHFFFAOYSA-N 0 0 297.427 4.216 20 10 CICDRN Cc1c2ccccc2n(C)c1CNC(=O)C1(C)CCCCC1 ZINC000548100890 334140187 /nfs/dbraw/zinc/14/01/87/334140187.db2.gz OBFUFUWTNOYMNP-UHFFFAOYSA-N 0 0 298.430 4.073 20 10 CICDRN CCCCN(Cc1ccccc1O)C(=O)C1=CCCCC1 ZINC000282397405 520548147 /nfs/dbraw/zinc/54/81/47/520548147.db2.gz FAKPNSMJZQOXMD-UHFFFAOYSA-N 0 0 287.403 4.021 20 10 CICDRN C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000276183094 525652092 /nfs/dbraw/zinc/65/20/92/525652092.db2.gz KJMCPIKUYCNWJF-MEBBXXQBSA-N 0 0 289.325 4.009 20 10 CICDRN COc1cccc(CNc2cc(SC)ccc2C)c1O ZINC000271974375 526042126 /nfs/dbraw/zinc/04/21/26/526042126.db2.gz OSTAMSLPWUDPBG-UHFFFAOYSA-N 0 0 289.400 4.043 20 10 CICDRN CC(C)(C)c1cnc(Sc2ccnc(C3CC3)n2)s1 ZINC000301662063 526827168 /nfs/dbraw/zinc/82/71/68/526827168.db2.gz UXQSYCZIWKDOIW-UHFFFAOYSA-N 0 0 291.445 4.259 20 10 CICDRN CC(C)C(=O)Nc1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000192802371 527549425 /nfs/dbraw/zinc/54/94/25/527549425.db2.gz LIJFFOZGMNEYCE-CYBMUJFWSA-N 0 0 298.386 4.160 20 10 CICDRN COc1ccc(O)c([C@H](C)Nc2ccc(C)cc2F)c1 ZINC000020371727 171168340 /nfs/dbraw/zinc/16/83/40/171168340.db2.gz DOCXNPLHGWVYHG-NSHDSACASA-N 0 0 275.323 4.021 20 10 CICDRN Cc1ccc(O)c([C@@H](C)Nc2ccccc2OC(F)F)c1 ZINC000035628749 172307924 /nfs/dbraw/zinc/30/79/24/172307924.db2.gz BMDBJRGDYCSTNK-LLVKDONJSA-N 0 0 293.313 4.475 20 10 CICDRN Cc1ccc(O)c([C@H](C)Nc2ccccc2OC(F)F)c1 ZINC000035628750 172308384 /nfs/dbraw/zinc/30/83/84/172308384.db2.gz BMDBJRGDYCSTNK-NSHDSACASA-N 0 0 293.313 4.475 20 10 CICDRN Cc1ccc(O)c(CNc2cccc(C(C)C)c2)c1 ZINC000071406542 176155649 /nfs/dbraw/zinc/15/56/49/176155649.db2.gz FWNKEDJHHNENBM-UHFFFAOYSA-N 0 0 255.361 4.436 20 10 CICDRN COc1cc(Cl)cc(CNc2ccc(C)cc2C)c1O ZINC000076274176 176967495 /nfs/dbraw/zinc/96/74/95/176967495.db2.gz RFVBKGDBNBIBJH-UHFFFAOYSA-N 0 0 291.778 4.283 20 10 CICDRN CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1O ZINC000037771693 260116263 /nfs/dbraw/zinc/11/62/63/260116263.db2.gz AWDLZBXXJRBAQK-NHYWBVRUSA-N 0 0 291.341 4.472 20 10 CICDRN C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1cccnc1 ZINC000184883088 262032202 /nfs/dbraw/zinc/03/22/02/262032202.db2.gz ZXZVNCFGBVJJTL-KBPBESRZSA-N 0 0 296.414 4.078 20 10 CICDRN CCOCc1cccc(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000186347509 262089537 /nfs/dbraw/zinc/08/95/37/262089537.db2.gz RGUDTVFGNFLUQS-CQSZACIVSA-N 0 0 285.387 4.410 20 10 CICDRN CCOCc1cccc(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000186347725 262089801 /nfs/dbraw/zinc/08/98/01/262089801.db2.gz FVUQJVUZRRTMIJ-GFCCVEGCSA-N 0 0 289.350 4.241 20 10 CICDRN C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(F)c(F)c1[O-] ZINC000276992167 263039125 /nfs/dbraw/zinc/03/91/25/263039125.db2.gz XPLXAVBSRZLBQV-NSHDSACASA-N 0 0 289.325 4.010 20 10 CICDRN CC(C)([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000271811896 327528344 /nfs/dbraw/zinc/52/83/44/327528344.db2.gz CARXOPRSUMTNPY-UHFFFAOYSA-N 0 0 275.779 4.071 20 10 CICDRN Cc1noc(C)c1CCOc1ccc2c(c1)c(C)c(C)n2C ZINC000421207886 329805970 /nfs/dbraw/zinc/80/59/70/329805970.db2.gz WXKFTXNZKYGSMI-UHFFFAOYSA-N 0 0 298.386 4.021 20 10 CICDRN COc1cc(N[C@H](C)c2ccc(C)cc2O)ccc1F ZINC000160121679 330859547 /nfs/dbraw/zinc/85/95/47/330859547.db2.gz ZCHRIOPYKCQVOQ-LLVKDONJSA-N 0 0 275.323 4.021 20 10 CICDRN CC(C)[C@@H](CC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000236672705 519792757 /nfs/dbraw/zinc/79/27/57/519792757.db2.gz XFCKXWIWVHXABE-QGZVFWFLSA-N 0 0 282.387 4.037 20 10 CICDRN CCC[C@H](CC)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000050400652 521082624 /nfs/dbraw/zinc/08/26/24/521082624.db2.gz VFHCIRXDIJGZEP-NSHDSACASA-N 0 0 276.207 4.367 20 10 CICDRN CC[C@H](Nc1ccc(SC)cn1)c1ccccc1O ZINC000274767554 522770918 /nfs/dbraw/zinc/77/09/18/522770918.db2.gz LSRCCQOUTAXXQL-ZDUSSCGKSA-N 0 0 274.389 4.072 20 10 CICDRN CC[C@@H](Nc1cccc(NC(C)=O)c1)c1ccc(C)cc1O ZINC000279945231 522960029 /nfs/dbraw/zinc/96/00/29/522960029.db2.gz BKGMFDJKNICEGB-QGZVFWFLSA-N 0 0 298.386 4.222 20 10 CICDRN C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000276183100 525583234 /nfs/dbraw/zinc/58/32/34/525583234.db2.gz KJMCPIKUYCNWJF-ZUZCIYMTSA-N 0 0 289.325 4.009 20 10 CICDRN C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(F)cc1[O-] ZINC000062748507 525614916 /nfs/dbraw/zinc/61/49/16/525614916.db2.gz WUYDCEKHWFLMFV-HZMBPMFUSA-N 0 0 291.391 4.321 20 10 CICDRN Cc1c(Cl)cccc1NCc1cc(F)ccc1O ZINC000083482827 178508199 /nfs/dbraw/zinc/50/81/99/178508199.db2.gz JCYBTJOICUYYRH-UHFFFAOYSA-N 0 0 265.715 4.105 20 10 CICDRN CCc1ccccc1N[C@H](C)c1ccc(C)cc1O ZINC000020016484 170970343 /nfs/dbraw/zinc/97/03/43/170970343.db2.gz SUPDUQXJUUPSTQ-CYBMUJFWSA-N 0 0 255.361 4.436 20 10 CICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(C)cc2F)c1 ZINC000020371724 171168497 /nfs/dbraw/zinc/16/84/97/171168497.db2.gz DOCXNPLHGWVYHG-LLVKDONJSA-N 0 0 275.323 4.021 20 10 CICDRN COc1ccc(O)c([C@@H](C)Nc2cc(C)ccc2F)c1 ZINC000020471701 171214472 /nfs/dbraw/zinc/21/44/72/171214472.db2.gz RETHBAVTQGTRJW-LLVKDONJSA-N 0 0 275.323 4.021 20 10 CICDRN Cc1ccc(Nc2ccc(N)cc2)cc1Br ZINC000070993804 176020240 /nfs/dbraw/zinc/02/02/40/176020240.db2.gz MGWPQFMZCXJUBK-UHFFFAOYSA-N 0 0 277.165 4.083 20 10 CICDRN Cc1ccc(O)c(CNc2cccc(Br)c2)c1 ZINC000071406133 176155982 /nfs/dbraw/zinc/15/59/82/176155982.db2.gz VBEAHMDWACGRTN-UHFFFAOYSA-N 0 0 292.176 4.075 20 10 CICDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)c(O)c1 ZINC000037771987 260116277 /nfs/dbraw/zinc/11/62/77/260116277.db2.gz LRZMLTUFHSHZEY-RYUDHWBXSA-N 0 0 291.341 4.391 20 10 CICDRN [O-]c1c(F)cccc1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000317311868 260175490 /nfs/dbraw/zinc/17/54/90/260175490.db2.gz NMUIFCRJXURCFC-KRWDZBQOSA-N 0 0 297.329 4.004 20 10 CICDRN CCOc1cccc(C[N@H+](C)[C@H](C)c2cccs2)c1O ZINC000157824853 261152767 /nfs/dbraw/zinc/15/27/67/261152767.db2.gz WDCAXFIOLSGLSI-GFCCVEGCSA-N 0 0 291.416 4.045 20 10 CICDRN CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)CC)cc1)c1ccncc1 ZINC000163655445 261324217 /nfs/dbraw/zinc/32/42/17/261324217.db2.gz CSRQMYRUMSJIAJ-KXBFYZLASA-N 0 0 297.446 4.340 20 10 CICDRN C[C@@H](Sc1nccs1)c1ncc(C(C)(C)C)o1 ZINC000177257345 261694255 /nfs/dbraw/zinc/69/42/55/261694255.db2.gz HLVZMZRYHKDSGR-MRVPVSSYSA-N 0 0 268.407 4.282 20 10 CICDRN C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(F)cc1[O-] ZINC000185216315 262045803 /nfs/dbraw/zinc/04/58/03/262045803.db2.gz WDQAHYOFQPVRBM-QLJPJBMISA-N 0 0 289.325 4.009 20 10 CICDRN COc1c(F)cc(N[C@@H](C)c2ccc(C)cc2O)cc1F ZINC000186284819 262086732 /nfs/dbraw/zinc/08/67/32/262086732.db2.gz GJLCJJBRRUBKIY-JTQLQIEISA-N 0 0 293.313 4.161 20 10 CICDRN C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(F)cc1[O-] ZINC000186321564 262088712 /nfs/dbraw/zinc/08/87/12/262088712.db2.gz UIRRPPLCAJFWOF-NSHDSACASA-N 0 0 289.325 4.010 20 10 CICDRN C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(F)cc1[O-] ZINC000186321582 262088871 /nfs/dbraw/zinc/08/88/71/262088871.db2.gz UIRRPPLCAJFWOF-LLVKDONJSA-N 0 0 289.325 4.010 20 10 CICDRN CC[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(F)cc1[O-] ZINC000297330791 263203471 /nfs/dbraw/zinc/20/34/71/263203471.db2.gz NYJCBRZNFQDWHH-GFCCVEGCSA-N 0 0 275.314 4.007 20 10 CICDRN CC[C@H](c1ccccc1O)[NH+]1CCC(c2ccncc2)CC1 ZINC000377689974 329025027 /nfs/dbraw/zinc/02/50/27/329025027.db2.gz FTARYKQUVQEBOS-GOSISDBHSA-N 0 0 296.414 4.118 20 10 CICDRN Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOc3c(C)cccc32)c1 ZINC000189465603 329381136 /nfs/dbraw/zinc/38/11/36/329381136.db2.gz FVWAKNNROARKIW-YOEHRIQHSA-N 0 0 297.398 4.183 20 10 CICDRN C[C@@H](Nc1cccc(C2CCOCC2)c1)c1ccccc1O ZINC000527993916 330299341 /nfs/dbraw/zinc/29/93/41/330299341.db2.gz HCHVMDMMJMKSPF-CQSZACIVSA-N 0 0 297.398 4.459 20 10 CICDRN C[C@@H](Nc1cccc2c1OCC2)c1ccc(Cl)cc1O ZINC000527959989 330300477 /nfs/dbraw/zinc/30/04/77/330300477.db2.gz QAGIKYKUFVVQHB-SNVBAGLBSA-N 0 0 289.762 4.154 20 10 CICDRN CC[C@H](Nc1cccc(NC(C)=O)c1)c1ccc(C)cc1O ZINC000279945229 522773489 /nfs/dbraw/zinc/77/34/89/522773489.db2.gz BKGMFDJKNICEGB-KRWDZBQOSA-N 0 0 298.386 4.222 20 10 CICDRN Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062745030 525361879 /nfs/dbraw/zinc/36/18/79/525361879.db2.gz IGRGSZCSTHZRDD-CHWSQXEVSA-N 0 0 273.351 4.252 20 10 CICDRN Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062745028 525362329 /nfs/dbraw/zinc/36/23/29/525362329.db2.gz IGRGSZCSTHZRDD-OLZOCXBDSA-N 0 0 273.351 4.252 20 10 CICDRN C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(F)cc1[O-] ZINC000062747342 525545166 /nfs/dbraw/zinc/54/51/66/525545166.db2.gz FUZJTODJEOWKIB-SGTLLEGYSA-N 0 0 285.362 4.333 20 10 CICDRN C[C@H](Nc1ccc(Cl)cc1)c1ccc(F)cc1O ZINC000062744868 525650756 /nfs/dbraw/zinc/65/07/56/525650756.db2.gz CQHUFLLZZGUNJC-VIFPVBQESA-N 0 0 265.715 4.358 20 10 CICDRN CC(=O)Nc1cc(N[C@H](C)c2ccc(C)cc2O)ccc1C ZINC000192827806 526928027 /nfs/dbraw/zinc/92/80/27/526928027.db2.gz QFJHMWWZFFAUPY-CYBMUJFWSA-N 0 0 298.386 4.141 20 10 CICDRN CC[C@@H](C)[C@@H](C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000019404336 170786123 /nfs/dbraw/zinc/78/61/23/170786123.db2.gz KSVUXZHKCCAXLR-CXAGYDPISA-N 0 0 282.387 4.037 20 10 CICDRN Cc1ccc([C@@H](C)Nc2cccc(C)c2C)c(O)c1 ZINC000021009143 171285890 /nfs/dbraw/zinc/28/58/90/171285890.db2.gz WJFOGQFDLVZLRM-CQSZACIVSA-N 0 0 255.361 4.491 20 10 CICDRN Cc1ccc(C)c(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000035628727 172307742 /nfs/dbraw/zinc/30/77/42/172307742.db2.gz WDRSLAPKXQGFGP-CQSZACIVSA-N 0 0 255.361 4.491 20 10 CICDRN Cc1ccc(C)c(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000035628728 172308146 /nfs/dbraw/zinc/30/81/46/172308146.db2.gz WDRSLAPKXQGFGP-AWEZNQCLSA-N 0 0 255.361 4.491 20 10 CICDRN Cc1ccc(C(=O)[C@H](C)Sc2nccs2)cc1C ZINC000040677277 174374419 /nfs/dbraw/zinc/37/44/19/174374419.db2.gz ORCRVMZTWGOJEZ-NSHDSACASA-N 0 0 277.414 4.123 20 10 CICDRN Cc1ccc(O)c(CNc2cccc3ccccc32)c1 ZINC000071403650 176154659 /nfs/dbraw/zinc/15/46/59/176154659.db2.gz YWNZBXQEENMESW-UHFFFAOYSA-N 0 0 263.340 4.466 20 10 CICDRN Cc1ccc(O)c(CNc2cc(Cl)ccc2C)c1 ZINC000071403509 176154911 /nfs/dbraw/zinc/15/49/11/176154911.db2.gz KAPDGNDXLFAPKX-UHFFFAOYSA-N 0 0 261.752 4.275 20 10 CICDRN COc1cc(Cl)cc(CNc2cc(C)cc(C)c2)c1O ZINC000076274060 176967536 /nfs/dbraw/zinc/96/75/36/176967536.db2.gz INGHXGQYRWYNHX-UHFFFAOYSA-N 0 0 291.778 4.283 20 10 CICDRN CC(C)c1nnc(CSc2ncc(C(C)(C)C)s2)o1 ZINC000163991828 261337420 /nfs/dbraw/zinc/33/74/20/261337420.db2.gz RUMZQLYBHISNED-UHFFFAOYSA-N 0 0 297.449 4.239 20 10 CICDRN C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccc(F)cc1[O-] ZINC000185216337 262046255 /nfs/dbraw/zinc/04/62/55/262046255.db2.gz WDQAHYOFQPVRBM-QFYYESIMSA-N 0 0 289.325 4.009 20 10 CICDRN C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(F)cc1[O-] ZINC000185216293 262046505 /nfs/dbraw/zinc/04/65/05/262046505.db2.gz WDQAHYOFQPVRBM-MGPLVRAMSA-N 0 0 289.325 4.009 20 10 CICDRN CCOCc1cccc(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000186347492 262089723 /nfs/dbraw/zinc/08/97/23/262089723.db2.gz RGUDTVFGNFLUQS-AWEZNQCLSA-N 0 0 285.387 4.410 20 10 CICDRN Cc1ccnn1-c1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000367819344 267120174 /nfs/dbraw/zinc/12/01/74/267120174.db2.gz LKTOWZFYGUFWTB-CQSZACIVSA-N 0 0 293.370 4.059 20 10 CICDRN Cc1ccn(-c2ccccc2N[C@@H](C)c2ccccc2O)n1 ZINC000183668661 329251825 /nfs/dbraw/zinc/25/18/25/329251825.db2.gz IMPDGBLMGUVAKY-AWEZNQCLSA-N 0 0 293.370 4.059 20 10 CICDRN Cc1ccc([C@@H](C)[NH2+][C@H]2CCOc3c(C)cccc32)c(O)c1 ZINC000189460588 329381056 /nfs/dbraw/zinc/38/10/56/329381056.db2.gz VJDNLXRJVKPIFZ-PBHICJAKSA-N 0 0 297.398 4.183 20 10 CICDRN C[C@H](Nc1cccc(C2CCOCC2)c1)c1ccccc1O ZINC000527993914 330299318 /nfs/dbraw/zinc/29/93/18/330299318.db2.gz HCHVMDMMJMKSPF-AWEZNQCLSA-N 0 0 297.398 4.459 20 10 CICDRN COc1cc(N[C@H](C)c2cc(C)ccc2O)ccc1F ZINC000160026878 330857211 /nfs/dbraw/zinc/85/72/11/330857211.db2.gz PYEPHMNVNAVBSO-LLVKDONJSA-N 0 0 275.323 4.021 20 10 CICDRN CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062745927 520308605 /nfs/dbraw/zinc/30/86/05/520308605.db2.gz KIWHQIUBFKEXKA-RYUDHWBXSA-N 0 0 253.361 4.151 20 10 CICDRN CCOc1cccc(CNc2ccccc2SC)c1O ZINC000036957420 521378311 /nfs/dbraw/zinc/37/83/11/521378311.db2.gz RISBSACRXBCNTJ-UHFFFAOYSA-N 0 0 289.400 4.125 20 10 CICDRN CC[C@@H](Nc1ccc(N(C)C)cc1)c1ccccc1O ZINC000036335299 522958295 /nfs/dbraw/zinc/95/82/95/522958295.db2.gz HIHONHVHJLOWFQ-MRXNPFEDSA-N 0 0 270.376 4.021 20 10 CICDRN CC[C@@H](Nc1ccc(SC)cn1)c1ccccc1O ZINC000274767553 522958642 /nfs/dbraw/zinc/95/86/42/522958642.db2.gz LSRCCQOUTAXXQL-CYBMUJFWSA-N 0 0 274.389 4.072 20 10 CICDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccc(F)cc1F ZINC000062746260 525609072 /nfs/dbraw/zinc/60/90/72/525609072.db2.gz BAVTWSSMEWUSRO-ZJUUUORDSA-N 0 0 295.304 4.221 20 10 CICDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccc(F)cc1[O-] ZINC000062746261 525659641 /nfs/dbraw/zinc/65/96/41/525659641.db2.gz BAVTWSSMEWUSRO-NXEZZACHSA-N 0 0 295.304 4.221 20 10 CICDRN FC(F)c1nc2ccccc2c(Sc2nccs2)n1 ZINC000301188415 526268413 /nfs/dbraw/zinc/26/84/13/526268413.db2.gz UKCHRXIVVUUBIK-UHFFFAOYSA-N 0 0 295.339 4.175 20 10 CICDRN Fc1ccccc1-c1cnc(CSc2nccs2)o1 ZINC000150919331 526405947 /nfs/dbraw/zinc/40/59/47/526405947.db2.gz DWTMJXQJATWKPB-UHFFFAOYSA-N 0 0 292.360 4.230 20 10 CICDRN