smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC=C(/C=C/c2cccc3ccccc23)CC1 ZINC000001560219 342702904 /nfs/dbraw/zinc/70/29/04/342702904.db2.gz BPVAGRSEOWNGCE-MDZDMXLPSA-N 0 1 249.357 4.115 10 0 BIAEMN Oc1c(Cl)cc(Cl)cc1-c1ccccc1 ZINC000001641216 342706857 /nfs/dbraw/zinc/70/68/57/342706857.db2.gz AFXPPGXJWHJULD-UHFFFAOYSA-N 0 1 239.101 4.366 10 0 in-vitro BIAEMN CC(C)=CCC/C(C)=C/CNCc1ccco1 ZINC000012379223 519403283 /nfs/dbraw/zinc/40/32/83/519403283.db2.gz XMTILSZPRSYDMD-NTEUORMPSA-N 0 1 233.355 4.062 10 0 BIAEMN C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1ccco1 ZINC000020124249 384577819 /nfs/dbraw/zinc/57/78/19/384577819.db2.gz RHYIGBDGAXXBAX-QWRGUYRKSA-N 0 1 249.741 4.345 10 0 BIAEMN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccco1 ZINC000020124251 342970121 /nfs/dbraw/zinc/97/01/21/342970121.db2.gz RHYIGBDGAXXBAX-WDEREUQCSA-N 0 1 249.741 4.345 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2C)o1 ZINC000020126216 384581953 /nfs/dbraw/zinc/58/19/53/384581953.db2.gz FKQAAOMVMBVAHK-UONOGXRCSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccccc2C)o1 ZINC000020126217 384580551 /nfs/dbraw/zinc/58/05/51/384580551.db2.gz FKQAAOMVMBVAHK-KBPBESRZSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@H](C)N[C@H](C)c2cccc(F)c2)o1 ZINC000020147892 259389775 /nfs/dbraw/zinc/38/97/75/259389775.db2.gz XLEXDALXZUHEDS-NEPJUHHUSA-N 0 1 247.313 4.139 10 0 BIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(F)c2)o1 ZINC000020147893 259389762 /nfs/dbraw/zinc/38/97/62/259389762.db2.gz XLEXDALXZUHEDS-RYUDHWBXSA-N 0 1 247.313 4.139 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(F)c2)o1 ZINC000020147894 259389849 /nfs/dbraw/zinc/38/98/49/259389849.db2.gz XLEXDALXZUHEDS-VXGBXAGGSA-N 0 1 247.313 4.139 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(F)c2)o1 ZINC000020147895 259389917 /nfs/dbraw/zinc/38/99/17/259389917.db2.gz XLEXDALXZUHEDS-NWDGAFQWSA-N 0 1 247.313 4.139 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2cccs2)o1 ZINC000020148314 178848253 /nfs/dbraw/zinc/84/82/53/178848253.db2.gz LGIYLSNHOYHAFL-MNOVXSKESA-N 0 1 235.352 4.061 10 0 BIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2cccs2)o1 ZINC000020148315 384586741 /nfs/dbraw/zinc/58/67/41/384586741.db2.gz LGIYLSNHOYHAFL-QWRGUYRKSA-N 0 1 235.352 4.061 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@H](C)c2cccs2)o1 ZINC000020148316 384585594 /nfs/dbraw/zinc/58/55/94/384585594.db2.gz LGIYLSNHOYHAFL-GHMZBOCLSA-N 0 1 235.352 4.061 10 0 BIAEMN Cc1ccc([C@H](C)N[C@H](C)c2cccs2)o1 ZINC000020148317 384585658 /nfs/dbraw/zinc/58/56/58/384585658.db2.gz LGIYLSNHOYHAFL-WDEREUQCSA-N 0 1 235.352 4.061 10 0 BIAEMN CC(C)(C)[C@@H](N)c1cc2cc(Cl)ccc2o1 ZINC000020592864 538932185 /nfs/dbraw/zinc/93/21/85/538932185.db2.gz RQCCLBOHJXFUNF-LBPRGKRZSA-N 0 1 237.730 4.132 10 0 BIAEMN CC(C)(C)[C@H](N)c1cc2cc(Cl)ccc2o1 ZINC000020592865 538932611 /nfs/dbraw/zinc/93/26/11/538932611.db2.gz RQCCLBOHJXFUNF-GFCCVEGCSA-N 0 1 237.730 4.132 10 0 BIAEMN Cc1ccc2nc(-c3ccc(C)c(C)c3)[nH]c2c1 ZINC000021001598 188176893 /nfs/dbraw/zinc/17/68/93/188176893.db2.gz DPSNRIIZATXLER-UHFFFAOYSA-N 0 1 236.318 4.155 10 0 BIAEMN Cc1nc(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000022000845 387205416 /nfs/dbraw/zinc/20/54/16/387205416.db2.gz WELZFURMIFFATQ-UHFFFAOYSA-N 0 1 234.302 4.052 10 0 BIAEMN Clc1ccc2nc(CCC3CCCC3)[nH]c2c1 ZINC000034507818 343274025 /nfs/dbraw/zinc/27/40/25/343274025.db2.gz VYOSDABFDQQEQF-UHFFFAOYSA-N 0 1 248.757 4.339 10 0 BIAEMN Cc1ccc([C@H](C)NCc2ccc(C)c(C)c2)o1 ZINC000034993650 385692382 /nfs/dbraw/zinc/69/23/82/385692382.db2.gz XFVQKTMQHHKTIF-AWEZNQCLSA-N 0 1 243.350 4.056 10 0 BIAEMN Cc1ccc([C@@H](C)NCc2ccc(C)c(C)c2)o1 ZINC000034993651 385692097 /nfs/dbraw/zinc/69/20/97/385692097.db2.gz XFVQKTMQHHKTIF-CQSZACIVSA-N 0 1 243.350 4.056 10 0 BIAEMN CC[C@@H](C)c1ccc([C@H](N)c2ccc(C)o2)cc1 ZINC000035081577 170805130 /nfs/dbraw/zinc/80/51/30/170805130.db2.gz FZDRGZUXRKCSQJ-BZNIZROVSA-N 0 1 243.350 4.150 10 0 BIAEMN CC[C@@H](C)c1ccc([C@@H](N)c2ccc(C)o2)cc1 ZINC000035081579 170805033 /nfs/dbraw/zinc/80/50/33/170805033.db2.gz FZDRGZUXRKCSQJ-BDJLRTHQSA-N 0 1 243.350 4.150 10 0 BIAEMN CC[C@@H](C)c1ccc([C@@H](N)c2occc2C)cc1 ZINC000035081591 170805307 /nfs/dbraw/zinc/80/53/07/170805307.db2.gz AQRVUXYTITTWJX-IAQYHMDHSA-N 0 1 243.350 4.150 10 0 BIAEMN CCc1ccc([C@@H](C)N[C@@H](C)c2ccco2)cc1 ZINC000035738744 383872996 /nfs/dbraw/zinc/87/29/96/383872996.db2.gz PKGMKAAJHMWMGZ-OLZOCXBDSA-N 0 1 243.350 4.254 10 0 BIAEMN CCc1ccc([C@H](C)N[C@@H](C)c2ccco2)cc1 ZINC000035738745 383873519 /nfs/dbraw/zinc/87/35/19/383873519.db2.gz PKGMKAAJHMWMGZ-STQMWFEESA-N 0 1 243.350 4.254 10 0 BIAEMN CCc1ccc([C@@H](C)N[C@H](C)c2ccco2)cc1 ZINC000035738746 383871709 /nfs/dbraw/zinc/87/17/09/383871709.db2.gz PKGMKAAJHMWMGZ-CHWSQXEVSA-N 0 1 243.350 4.254 10 0 BIAEMN CCc1ccc([C@H](C)N[C@H](C)c2ccco2)cc1 ZINC000035738747 383873493 /nfs/dbraw/zinc/87/34/93/383873493.db2.gz PKGMKAAJHMWMGZ-QWHCGFSZSA-N 0 1 243.350 4.254 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccco2)cc1C ZINC000035738756 383873362 /nfs/dbraw/zinc/87/33/62/383873362.db2.gz WVZRPBPABHUNOX-KGLIPLIRSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccco2)cc1C ZINC000035738757 383873127 /nfs/dbraw/zinc/87/31/27/383873127.db2.gz WVZRPBPABHUNOX-KBPBESRZSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@H](C)c2ccco2)cc1C ZINC000035738758 383872441 /nfs/dbraw/zinc/87/24/41/383872441.db2.gz WVZRPBPABHUNOX-ZIAGYGMSSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@H](C)N[C@H](C)c2ccco2)cc1C ZINC000035738759 383874393 /nfs/dbraw/zinc/87/43/93/383874393.db2.gz WVZRPBPABHUNOX-UONOGXRCSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccco2)c(C)c1 ZINC000035738880 387581604 /nfs/dbraw/zinc/58/16/04/387581604.db2.gz GSOPJMGNRUUZME-KGLIPLIRSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccco2)c(C)c1 ZINC000035738881 387581206 /nfs/dbraw/zinc/58/12/06/387581206.db2.gz GSOPJMGNRUUZME-KBPBESRZSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@H](C)c2ccco2)c(C)c1 ZINC000035738882 387581018 /nfs/dbraw/zinc/58/10/18/387581018.db2.gz GSOPJMGNRUUZME-ZIAGYGMSSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@H](C)N[C@H](C)c2ccco2)c(C)c1 ZINC000035738883 178898449 /nfs/dbraw/zinc/89/84/49/178898449.db2.gz GSOPJMGNRUUZME-UONOGXRCSA-N 0 1 243.350 4.308 10 0 BIAEMN CC[C@H](N[C@@H](C)c1ccc(C)o1)c1cccs1 ZINC000036959931 343146644 /nfs/dbraw/zinc/14/66/44/343146644.db2.gz MQMZXZUUVJYTCB-RYUDHWBXSA-N 0 1 249.379 4.451 10 0 BIAEMN CC[C@@H](N[C@@H](C)c1ccc(C)o1)c1cccs1 ZINC000036959932 343146758 /nfs/dbraw/zinc/14/67/58/343146758.db2.gz MQMZXZUUVJYTCB-NWDGAFQWSA-N 0 1 249.379 4.451 10 0 BIAEMN CC[C@H](N[C@H](C)c1ccc(C)o1)c1cccs1 ZINC000036959933 343146493 /nfs/dbraw/zinc/14/64/93/343146493.db2.gz MQMZXZUUVJYTCB-NEPJUHHUSA-N 0 1 249.379 4.451 10 0 BIAEMN CC[C@@H](N[C@H](C)c1ccc(C)o1)c1cccs1 ZINC000036959934 343146497 /nfs/dbraw/zinc/14/64/97/343146497.db2.gz MQMZXZUUVJYTCB-VXGBXAGGSA-N 0 1 249.379 4.451 10 0 BIAEMN Cc1ccc([C@H](C)N[C@H](C)c2cccc(C)c2)o1 ZINC000037280633 179181535 /nfs/dbraw/zinc/18/15/35/179181535.db2.gz IOQWYLWDQKGGOF-KGLIPLIRSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(C)c2)o1 ZINC000037280635 179196594 /nfs/dbraw/zinc/19/65/94/179196594.db2.gz IOQWYLWDQKGGOF-KBPBESRZSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(C)c2)o1 ZINC000037280637 179181509 /nfs/dbraw/zinc/18/15/09/179181509.db2.gz IOQWYLWDQKGGOF-ZIAGYGMSSA-N 0 1 243.350 4.308 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(C)c2)o1 ZINC000037280639 179198014 /nfs/dbraw/zinc/19/80/14/179198014.db2.gz IOQWYLWDQKGGOF-UONOGXRCSA-N 0 1 243.350 4.308 10 0 BIAEMN c1n[nH]c2cccc(NC3CCCCCCC3)c12 ZINC000037783812 183357306 /nfs/dbraw/zinc/35/73/06/183357306.db2.gz GZVONBMTVZVQHF-UHFFFAOYSA-N 0 1 243.354 4.088 10 0 BIAEMN Cc1cccc2nc(-c3ccccc3Cl)[nH]c21 ZINC000038313761 190993508 /nfs/dbraw/zinc/99/35/08/190993508.db2.gz YXJDBOJHTXGHQI-UHFFFAOYSA-N 0 1 242.709 4.192 10 0 BIAEMN CC1(C)CCC(C)(C)c2cc(S)ccc21 ZINC000038417419 358151380 /nfs/dbraw/zinc/15/13/80/358151380.db2.gz FXMPZALQWZSCOT-UHFFFAOYSA-N 0 1 220.381 4.324 10 0 BIAEMN CCC1=N[C@H](c2ccc(C)cc2)CCC1 ZINC000039100700 343383939 /nfs/dbraw/zinc/38/39/39/343383939.db2.gz UGOFBZQCLHIHSY-AWEZNQCLSA-N 0 1 201.313 4.071 10 0 BIAEMN CCC1=N[C@@H](c2ccc(C)cc2)CCC1 ZINC000039100701 343383905 /nfs/dbraw/zinc/38/39/05/343383905.db2.gz UGOFBZQCLHIHSY-CQSZACIVSA-N 0 1 201.313 4.071 10 0 BIAEMN CCc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000041005836 352600298 /nfs/dbraw/zinc/60/02/98/352600298.db2.gz DIHBVZFOGTZOQN-UHFFFAOYSA-N 0 1 236.318 4.101 10 0 BIAEMN Cc1ccc2nc(-c3cc(C)ccc3C)[nH]c2c1 ZINC000041066099 384607860 /nfs/dbraw/zinc/60/78/60/384607860.db2.gz UHNRICNTRULRQU-UHFFFAOYSA-N 0 1 236.318 4.155 10 0 BIAEMN Cc1ccc2nc(-c3ccc(C)cc3C)[nH]c2c1 ZINC000041066107 178337241 /nfs/dbraw/zinc/33/72/41/178337241.db2.gz IKRLEYUTTLXWRG-UHFFFAOYSA-N 0 1 236.318 4.155 10 0 BIAEMN Cc1ccc([C@H](C)NCc2cc(C)ccc2C)o1 ZINC000042209426 322836822 /nfs/dbraw/zinc/83/68/22/322836822.db2.gz RXYWZORZVXMNDT-AWEZNQCLSA-N 0 1 243.350 4.056 10 0 BIAEMN Cc1ccc([C@@H](C)NCc2cc(C)ccc2C)o1 ZINC000042209429 322836754 /nfs/dbraw/zinc/83/67/54/322836754.db2.gz RXYWZORZVXMNDT-CQSZACIVSA-N 0 1 243.350 4.056 10 0 BIAEMN Cc1ccc([C@H](C)NCc2cccc(C)c2C)o1 ZINC000048298693 487898884 /nfs/dbraw/zinc/89/88/84/487898884.db2.gz LMWNQFASHTYWLP-AWEZNQCLSA-N 0 1 243.350 4.056 10 0 BIAEMN Cc1ccc([C@@H](C)NCc2cccc(C)c2C)o1 ZINC000048298695 411186810 /nfs/dbraw/zinc/18/68/10/411186810.db2.gz LMWNQFASHTYWLP-CQSZACIVSA-N 0 1 243.350 4.056 10 0 BIAEMN CCc1ccc(CN[C@@H](C)c2ccccc2C)o1 ZINC000051721659 322851486 /nfs/dbraw/zinc/85/14/86/322851486.db2.gz AYUMRXOAUVYEFP-ZDUSSCGKSA-N 0 1 243.350 4.001 10 0 BIAEMN CCc1ccc(CN[C@H](C)c2ccccc2C)o1 ZINC000051721662 384703919 /nfs/dbraw/zinc/70/39/19/384703919.db2.gz AYUMRXOAUVYEFP-CYBMUJFWSA-N 0 1 243.350 4.001 10 0 BIAEMN Cc1cc2oc(CN)c(C3CC3)c2c(C)c1Cl ZINC000052069006 178307489 /nfs/dbraw/zinc/30/74/89/178307489.db2.gz XNJIGELUPMGRCP-UHFFFAOYSA-N 0 1 249.741 4.039 10 0 BIAEMN CCC[C@@H](C)CNc1ccc(N(CC)CC)cc1 ZINC000057670925 169360595 /nfs/dbraw/zinc/36/05/95/169360595.db2.gz WOUMDOFBWQCGOC-CQSZACIVSA-N 0 1 248.414 4.381 10 0 BIAEMN CCC[C@H](C)CNc1ccc(N(CC)CC)cc1 ZINC000057670928 169483423 /nfs/dbraw/zinc/48/34/23/169483423.db2.gz WOUMDOFBWQCGOC-AWEZNQCLSA-N 0 1 248.414 4.381 10 0 BIAEMN CCC(CC)CNc1ccc(N(CC)CC)cc1 ZINC000057671169 168366054 /nfs/dbraw/zinc/36/60/54/168366054.db2.gz YVZJMGKHNDPAQZ-UHFFFAOYSA-N 0 1 248.414 4.381 10 0 BIAEMN Cc1ccc([C@H](C)N[C@H](C)c2sccc2C)o1 ZINC000070090591 384077880 /nfs/dbraw/zinc/07/78/80/384077880.db2.gz RUDLBHHJIZELQP-NWDGAFQWSA-N 0 1 249.379 4.370 10 0 BIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2sccc2C)o1 ZINC000070090592 384077223 /nfs/dbraw/zinc/07/72/23/384077223.db2.gz RUDLBHHJIZELQP-RYUDHWBXSA-N 0 1 249.379 4.370 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@H](C)c2sccc2C)o1 ZINC000070090593 384077936 /nfs/dbraw/zinc/07/79/36/384077936.db2.gz RUDLBHHJIZELQP-VXGBXAGGSA-N 0 1 249.379 4.370 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2sccc2C)o1 ZINC000070090594 384078324 /nfs/dbraw/zinc/07/83/24/384078324.db2.gz RUDLBHHJIZELQP-NEPJUHHUSA-N 0 1 249.379 4.370 10 0 BIAEMN Cc1ccc(C)c(-c2nc3cccc(C)c3[nH]2)c1 ZINC000070238332 349972336 /nfs/dbraw/zinc/97/23/36/349972336.db2.gz VAKSESKMDIMRQZ-UHFFFAOYSA-N 0 1 236.318 4.155 10 0 BIAEMN Cc1ccccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000070238367 179238313 /nfs/dbraw/zinc/23/83/13/179238313.db2.gz UOASGQSYRLCRLB-UHFFFAOYSA-N 0 1 242.709 4.192 10 0 BIAEMN Cc1cc2nc(-c3ccccc3)[nH]c2cc1Cl ZINC000073639781 384026883 /nfs/dbraw/zinc/02/68/83/384026883.db2.gz VNIHFIWDUVTTIN-UHFFFAOYSA-N 0 1 242.709 4.192 10 0 BIAEMN CCC1SC(=S)N=C1C1CCCCC1 ZINC000075420818 172129136 /nfs/dbraw/zinc/12/91/36/172129136.db2.gz WJYVYEBLUXWEHK-UHFFFAOYSA-N 0 1 227.398 4.042 10 0 BIAEMN CC(C)(C)[C@H](N)c1cc2cccc(Cl)c2o1 ZINC000083821778 538525946 /nfs/dbraw/zinc/52/59/46/538525946.db2.gz GIPVYAPADJDPHB-GFCCVEGCSA-N 0 1 237.730 4.132 10 0 BIAEMN CC(C)(C)[C@@H](N)c1cc2cccc(Cl)c2o1 ZINC000083821779 538525864 /nfs/dbraw/zinc/52/58/64/538525864.db2.gz GIPVYAPADJDPHB-LBPRGKRZSA-N 0 1 237.730 4.132 10 0 BIAEMN C(=Cc1ccc(-c2ncc[nH]2)cc1)c1ccccc1 ZINC000089202709 166226621 /nfs/dbraw/zinc/22/66/21/166226621.db2.gz NPEYLVUQARJHJP-VOTSOKGWSA-N 0 1 246.313 4.247 10 0 BIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccco2)cc1F ZINC000094836920 386961367 /nfs/dbraw/zinc/96/13/67/386961367.db2.gz YHYKIZYXESYZTD-RYUDHWBXSA-N 0 1 247.313 4.139 10 0 BIAEMN Cc1ccc([C@H](C)N[C@H](C)c2ccco2)cc1F ZINC000094836922 386961431 /nfs/dbraw/zinc/96/14/31/386961431.db2.gz YHYKIZYXESYZTD-NWDGAFQWSA-N 0 1 247.313 4.139 10 0 BIAEMN CC(=Cc1ccco1)c1nc2ccc(C)cc2[nH]1 ZINC000096791612 644837343 /nfs/dbraw/zinc/83/73/43/644837343.db2.gz DQPPQLYOYIRECB-LUAWRHEFSA-N 0 1 238.290 4.025 10 0 BIAEMN CCCCn1c(N)c(C2CCCC2)nc1C(C)C ZINC000103500864 169033514 /nfs/dbraw/zinc/03/35/14/169033514.db2.gz LOZQLNVZYPBUSV-UHFFFAOYSA-N 0 1 249.402 4.046 10 0 BIAEMN CCC[C@@H](C)c1nc(C(C)C)n(C(C)C)c1N ZINC000103502097 169374731 /nfs/dbraw/zinc/37/47/31/169374731.db2.gz YCMYQWCOBMKLEC-LLVKDONJSA-N 0 1 237.391 4.073 10 0 BIAEMN CCCNc1cc(C2CC2)nc2ccc(F)cc21 ZINC000103953490 169293618 /nfs/dbraw/zinc/29/36/18/169293618.db2.gz WXJDXVHSYVTWNO-UHFFFAOYSA-N 0 1 244.313 4.073 10 0 BIAEMN CCCCCC[C@@H](C)Nc1cccc2[nH]ncc21 ZINC000103985270 168674277 /nfs/dbraw/zinc/67/42/77/168674277.db2.gz YJFLMOIXJKCJMF-GFCCVEGCSA-N 0 1 245.370 4.334 10 0 BIAEMN CCNc1cc(C(C)C)nc2c(C)c(F)ccc12 ZINC000104000295 170171533 /nfs/dbraw/zinc/17/15/33/170171533.db2.gz BORPDVRDGCIZTM-UHFFFAOYSA-N 0 1 246.329 4.238 10 0 BIAEMN CCCNc1cc(CC)nc2c(C)cc(F)cc12 ZINC000104015217 169293986 /nfs/dbraw/zinc/29/39/86/169293986.db2.gz JUJPTMROZMTMOE-UHFFFAOYSA-N 0 1 246.329 4.067 10 0 BIAEMN CCCNc1cc(C)nc2c(C)cc(Cl)cc12 ZINC000104155157 169293468 /nfs/dbraw/zinc/29/34/68/169293468.db2.gz MSYOCINJQLRESV-UHFFFAOYSA-N 0 1 248.757 4.327 10 0 BIAEMN C1CCC(c2nc(C3CCCCCC3)n[nH]2)CC1 ZINC000104162611 188150663 /nfs/dbraw/zinc/15/06/63/188150663.db2.gz MMXNWFPMEIHKHH-UHFFFAOYSA-N 0 1 247.386 4.290 10 0 BIAEMN C1CCC(c2n[nH]c(C3CCCCCC3)n2)CC1 ZINC000104162611 188150661 /nfs/dbraw/zinc/15/06/61/188150661.db2.gz MMXNWFPMEIHKHH-UHFFFAOYSA-N 0 1 247.386 4.290 10 0 BIAEMN CC(C)(C)[C@H](N)c1cc2c(cccc2Cl)o1 ZINC000128437586 538562905 /nfs/dbraw/zinc/56/29/05/538562905.db2.gz WZHNPPPNLHAXMV-GFCCVEGCSA-N 0 1 237.730 4.132 10 0 BIAEMN CC(C)(C)[C@@H](N)c1cc2c(cccc2Cl)o1 ZINC000128437809 538563155 /nfs/dbraw/zinc/56/31/55/538563155.db2.gz WZHNPPPNLHAXMV-LBPRGKRZSA-N 0 1 237.730 4.132 10 0 BIAEMN CCc1ccc(CN[C@H](C)c2cccc(C)c2)o1 ZINC000160135858 323061136 /nfs/dbraw/zinc/06/11/36/323061136.db2.gz UTXNRXNRPSQBAG-CYBMUJFWSA-N 0 1 243.350 4.001 10 0 BIAEMN CCc1ccc(CN[C@@H](C)c2cccc(C)c2)o1 ZINC000160181537 323062797 /nfs/dbraw/zinc/06/27/97/323062797.db2.gz UTXNRXNRPSQBAG-ZDUSSCGKSA-N 0 1 243.350 4.001 10 0 BIAEMN CCc1ccc([C@@H](C)N[C@@H](C)c2cccs2)o1 ZINC000178179184 385341653 /nfs/dbraw/zinc/34/16/53/385341653.db2.gz ATWBRIPCAGGELQ-MNOVXSKESA-N 0 1 249.379 4.315 10 0 BIAEMN CCc1ccc([C@H](C)N[C@@H](C)c2cccs2)o1 ZINC000178179196 385341019 /nfs/dbraw/zinc/34/10/19/385341019.db2.gz ATWBRIPCAGGELQ-QWRGUYRKSA-N 0 1 249.379 4.315 10 0 BIAEMN CCc1ccc([C@@H](C)N[C@H](C)c2cccs2)o1 ZINC000178179206 385340863 /nfs/dbraw/zinc/34/08/63/385340863.db2.gz ATWBRIPCAGGELQ-GHMZBOCLSA-N 0 1 249.379 4.315 10 0 BIAEMN CCc1ccc([C@H](C)N[C@H](C)c2cccs2)o1 ZINC000178179215 385341238 /nfs/dbraw/zinc/34/12/38/385341238.db2.gz ATWBRIPCAGGELQ-WDEREUQCSA-N 0 1 249.379 4.315 10 0 BIAEMN C(=Cc1ccc(-c2ncc[nH]2)cc1)c1ccccc1 ZINC000215898539 166228539 /nfs/dbraw/zinc/22/85/39/166228539.db2.gz NPEYLVUQARJHJP-SREVYHEPSA-N 0 1 246.313 4.247 10 0 BIAEMN Cc1ccc(F)c(CN[C@H](C)c2cccs2)c1 ZINC000221018146 388609141 /nfs/dbraw/zinc/60/91/41/388609141.db2.gz SJKSLGDZAARMFZ-LLVKDONJSA-N 0 1 249.354 4.046 10 0 BIAEMN Cc1ccc(F)c(CN[C@@H](C)c2cccs2)c1 ZINC000227281228 388746512 /nfs/dbraw/zinc/74/65/12/388746512.db2.gz SJKSLGDZAARMFZ-NSHDSACASA-N 0 1 249.354 4.046 10 0 BIAEMN Oc1cc(Cl)c(-c2cccs2)cc1Cl ZINC000232335758 352629321 /nfs/dbraw/zinc/62/93/21/352629321.db2.gz QTGWYAYISFNDGR-UHFFFAOYSA-N 0 1 245.130 4.428 10 0 BIAEMN Cc1ccc([C@H](C)N[C@H](C)c2csc(C)c2)o1 ZINC000294212576 384624795 /nfs/dbraw/zinc/62/47/95/384624795.db2.gz MQCPMGMGQKYOIQ-NEPJUHHUSA-N 0 1 249.379 4.370 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2csc(C)c2)o1 ZINC000294212585 178846985 /nfs/dbraw/zinc/84/69/85/178846985.db2.gz MQCPMGMGQKYOIQ-NWDGAFQWSA-N 0 1 249.379 4.370 10 0 BIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2csc(C)c2)o1 ZINC000294212593 384626259 /nfs/dbraw/zinc/62/62/59/384626259.db2.gz MQCPMGMGQKYOIQ-RYUDHWBXSA-N 0 1 249.379 4.370 10 0 BIAEMN Cc1ccc([C@@H](C)N[C@H](C)c2csc(C)c2)o1 ZINC000294212602 384624901 /nfs/dbraw/zinc/62/49/01/384624901.db2.gz MQCPMGMGQKYOIQ-VXGBXAGGSA-N 0 1 249.379 4.370 10 0 BIAEMN CC[C@H](N[C@@H](C)c1ccc(C)o1)c1ccsc1 ZINC000294409871 388400497 /nfs/dbraw/zinc/40/04/97/388400497.db2.gz MQCNDJLLKWFOGL-AAEUAGOBSA-N 0 1 249.379 4.451 10 0 BIAEMN CC[C@@H](N[C@H](C)c1ccc(C)o1)c1ccsc1 ZINC000294409876 364776465 /nfs/dbraw/zinc/77/64/65/364776465.db2.gz MQCNDJLLKWFOGL-DGCLKSJQSA-N 0 1 249.379 4.451 10 0 BIAEMN CC[C@@H](N[C@@H](C)c1ccc(C)o1)c1ccsc1 ZINC000294409879 364777105 /nfs/dbraw/zinc/77/71/05/364777105.db2.gz MQCNDJLLKWFOGL-WCQYABFASA-N 0 1 249.379 4.451 10 0 BIAEMN CC[C@H](N[C@H](C)c1ccc(C)o1)c1ccsc1 ZINC000294409882 388400208 /nfs/dbraw/zinc/40/02/08/388400208.db2.gz MQCNDJLLKWFOGL-YPMHNXCESA-N 0 1 249.379 4.451 10 0 BIAEMN Cc1cccc(CN[C@H](C)c2cccs2)c1F ZINC000294861927 179100323 /nfs/dbraw/zinc/10/03/23/179100323.db2.gz VXYQMMPYODBTJS-LLVKDONJSA-N 0 1 249.354 4.046 10 0 BIAEMN Cc1cccc(CN[C@@H](C)c2cccs2)c1F ZINC000294861931 179097845 /nfs/dbraw/zinc/09/78/45/179097845.db2.gz VXYQMMPYODBTJS-NSHDSACASA-N 0 1 249.354 4.046 10 0 BIAEMN N=c1cc(-c2ccccc2)sc2ccccc12 ZINC000584636404 358321209 /nfs/dbraw/zinc/32/12/09/358321209.db2.gz YUYNVNQPQJJISA-UHFFFAOYSA-N 0 1 237.327 4.048 10 0 BIAEMN CCC/C=C/C[P@@H](=O)OCc1ccccc1 ZINC000584651586 358306128 /nfs/dbraw/zinc/30/61/28/358306128.db2.gz LCPMIPUAQRPMFF-XBXARRHUSA-N 0 1 238.267 4.034 10 0 BIAEMN Cc1ccc(CN[C@H](C)c2cccs2)c(F)c1 ZINC000631034504 370981506 /nfs/dbraw/zinc/98/15/06/370981506.db2.gz WFCNLLJHEGRQQE-LLVKDONJSA-N 0 1 249.354 4.046 10 0 BIAEMN Cc1ccc(CN[C@@H](C)c2cccs2)c(F)c1 ZINC000631034510 370981497 /nfs/dbraw/zinc/98/14/97/370981497.db2.gz WFCNLLJHEGRQQE-NSHDSACASA-N 0 1 249.354 4.046 10 0 BIAEMN Cc1coc(CN[C@H](C)c2cccc(Cl)c2)c1 ZINC000718034711 712737189 /nfs/dbraw/zinc/73/71/89/712737189.db2.gz FFKHECWPLQQCCX-LLVKDONJSA-N 0 1 249.741 4.092 10 0 BIAEMN Cc1coc(CN[C@@H](C)c2cccc(Cl)c2)c1 ZINC000718034716 712737124 /nfs/dbraw/zinc/73/71/24/712737124.db2.gz FFKHECWPLQQCCX-NSHDSACASA-N 0 1 249.741 4.092 10 0 BIAEMN CCCCc1[nH]nc2c1C[C@H](C(C)(C)CC)CC2 ZINC000725265617 538092940 /nfs/dbraw/zinc/09/29/40/538092940.db2.gz OFSXOTBPLNCLJN-GFCCVEGCSA-N 0 1 248.414 4.293 10 0 BIAEMN CCCCc1[nH]nc2c1C[C@@H](C(C)(C)CC)CC2 ZINC000725265618 538092825 /nfs/dbraw/zinc/09/28/25/538092825.db2.gz OFSXOTBPLNCLJN-LBPRGKRZSA-N 0 1 248.414 4.293 10 0 BIAEMN