smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc([C@@H](Nc2cccc[nH+]2)c2ccccn2)c2ccccc21 ZINC000095563238 185380089 /nfs/dbraw/zinc/38/00/89/185380089.db2.gz IZYWJSMYDSJFAR-HXUWFJFHSA-N 1 2 314.392 4.170 1 0 DIAFLO C[NH+]1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccccc2)C1 ZINC000096924129 185391622 /nfs/dbraw/zinc/39/16/22/185391622.db2.gz YRSZTQAUHUMJPW-UHFFFAOYSA-N 1 2 322.235 4.351 1 0 DIAFLO C[C@H]1C[NH+](Cc2coc(-c3cccc4ccccc43)n2)C[C@H](C)O1 ZINC000072182256 191071895 /nfs/dbraw/zinc/07/18/95/191071895.db2.gz VQPGCKDXQCIUDZ-GJZGRUSLSA-N 1 2 322.408 4.104 1 0 DIAFLO COc1ccc([C@@H](Cc2ccc(Cl)cc2)n2cc[nH+]c2)cc1 ZINC000005889229 181293878 /nfs/dbraw/zinc/29/38/78/181293878.db2.gz VNWQGVYWBGBMTJ-GOSISDBHSA-N 1 2 312.800 4.377 1 0 DIAFLO [NH3+]C12c3c4cccc3Oc3cccc(c31)Oc1cccc(c12)O4 ZINC000005922598 181296422 /nfs/dbraw/zinc/29/64/22/181296422.db2.gz IJUYAGAKHWNHQB-UHFFFAOYSA-N 1 2 301.301 4.254 1 0 DIAFLO CC(=O)c1cccc(Nc2cc(C)[nH+]c3ccc4[nH]cnc4c23)c1 ZINC000039214876 183015170 /nfs/dbraw/zinc/01/51/70/183015170.db2.gz PGMLWJMRRBQBBK-UHFFFAOYSA-N 1 2 316.364 4.366 1 0 DIAFLO CC(=O)S[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000039233092 183015522 /nfs/dbraw/zinc/01/55/22/183015522.db2.gz FYOXFQAAVJMJBR-ZDUSSCGKSA-N 1 2 315.225 4.211 1 0 DIAFLO COc1cc2[nH+]ccc(Oc3ccc(C)cc3C=O)c2cc1OC ZINC000040413475 183062954 /nfs/dbraw/zinc/06/29/54/183062954.db2.gz LTMDRCPCNIVSOU-UHFFFAOYSA-N 1 2 323.348 4.165 1 0 DIAFLO CCC[N@@H+]1COC[C@@H](Oc2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000096901676 185390588 /nfs/dbraw/zinc/39/05/88/185390588.db2.gz SCLYKZQCNILPMG-WOJBJXKFSA-N 1 2 311.425 4.183 1 0 DIAFLO CCC[N@H+]1COC[C@@H](Oc2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000096901676 185390589 /nfs/dbraw/zinc/39/05/89/185390589.db2.gz SCLYKZQCNILPMG-WOJBJXKFSA-N 1 2 311.425 4.183 1 0 DIAFLO COc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1OC1CCCC1 ZINC000096937568 185393010 /nfs/dbraw/zinc/39/30/10/185393010.db2.gz VYWJPWJCMMWLRJ-UHFFFAOYSA-N 1 2 312.413 4.145 1 0 DIAFLO COc1cccc(CNc2cc3c(c[nH+]2)[nH]c2ccccc23)c1 ZINC000072176948 191070586 /nfs/dbraw/zinc/07/05/86/191070586.db2.gz LAUFWGBEMQORMX-UHFFFAOYSA-N 1 2 303.365 4.337 1 0 DIAFLO COc1c2c(ccc1[C@H](C(C)C)n1cc[nH+]c1)OC(C)(C)C=C2 ZINC000072179845 191071990 /nfs/dbraw/zinc/07/19/90/191071990.db2.gz YZFAKIPLLGPXNO-KRWDZBQOSA-N 1 2 312.413 4.321 1 0 DIAFLO Cc1[nH+]c(-c2ccncc2C)n2c1c(C)nc1ccc(F)cc12 ZINC000073168800 191287649 /nfs/dbraw/zinc/28/76/49/191287649.db2.gz QRNKDQJPJRUZFV-UHFFFAOYSA-N 1 2 306.344 4.009 1 0 DIAFLO CC(=O)S[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000039233093 183015482 /nfs/dbraw/zinc/01/54/82/183015482.db2.gz FYOXFQAAVJMJBR-CYBMUJFWSA-N 1 2 315.225 4.211 1 0 DIAFLO COc1cc2[nH+]ccc(Oc3ccccc3C(C)=O)c2cc1OC ZINC000040976988 183153482 /nfs/dbraw/zinc/15/34/82/183153482.db2.gz XKTZGPCLCNBMRN-UHFFFAOYSA-N 1 2 323.348 4.247 1 0 DIAFLO Cc1[nH+]ccc2c3ccc(OC(=O)c4ccccc4)cc3[nH]c21 ZINC000095555033 185379775 /nfs/dbraw/zinc/37/97/75/185379775.db2.gz WNUVMMWVNIMADA-UHFFFAOYSA-N 1 2 302.333 4.244 1 0 DIAFLO Cc1c(Cn2cc[nH+]c2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000003648601 181043453 /nfs/dbraw/zinc/04/34/53/181043453.db2.gz TWLOLQYTYISAJI-UHFFFAOYSA-N 1 2 319.383 4.382 1 0 DIAFLO c1[nH]cc(C2=CCCc3c(OCc4ccccc4)cccc32)[nH+]1 ZINC000013765305 181892021 /nfs/dbraw/zinc/89/20/21/181892021.db2.gz ACDLOGYGJHTESW-UHFFFAOYSA-N 1 2 302.377 4.367 1 0 DIAFLO c1cn(N(Cc2ccccc2)Cc2cccc3ccsc32)c[nH+]1 ZINC000040916248 183147851 /nfs/dbraw/zinc/14/78/51/183147851.db2.gz SMZYRZCGHPXJCD-UHFFFAOYSA-N 1 2 319.433 4.436 1 0 DIAFLO CC(C)[N@@H+]1COC[C@@H](OCc2ccccc2)[C@H]1c1ccccc1 ZINC000040954319 183150544 /nfs/dbraw/zinc/15/05/44/183150544.db2.gz DKSNHBQSIJVKTR-WOJBJXKFSA-N 1 2 311.425 4.011 1 0 DIAFLO CC(C)[N@H+]1COC[C@@H](OCc2ccccc2)[C@H]1c1ccccc1 ZINC000040954319 183150545 /nfs/dbraw/zinc/15/05/45/183150545.db2.gz DKSNHBQSIJVKTR-WOJBJXKFSA-N 1 2 311.425 4.011 1 0 DIAFLO COc1ccc2cc(Cn3cc[nH+]c3)n(-c3ccc(F)cc3)c2c1 ZINC000095590700 185382137 /nfs/dbraw/zinc/38/21/37/185382137.db2.gz NUGXCRKQYMXVBM-UHFFFAOYSA-N 1 2 321.355 4.023 1 0 DIAFLO CC[NH2+]c1cc2c(cc1O)CC[C@@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]21 ZINC000169353818 197744976 /nfs/dbraw/zinc/74/49/76/197744976.db2.gz PVHIGKNDYZNZIH-FCDLBOHZSA-N 1 2 315.457 4.041 1 0 DIAFLO Cc1cn(Cc2coc(-c3ccc(Cl)cc3Cl)n2)c[nH+]1 ZINC000072100879 191037233 /nfs/dbraw/zinc/03/72/33/191037233.db2.gz YHBMQKIHEKUVEY-UHFFFAOYSA-N 1 2 308.168 4.202 1 0 DIAFLO COc1ccccc1CNc1cc2c(c[nH+]1)[nH]c1ccccc12 ZINC000072176658 191071034 /nfs/dbraw/zinc/07/10/34/191071034.db2.gz MCSGVPHBFCZHBA-UHFFFAOYSA-N 1 2 303.365 4.337 1 0 DIAFLO Clc1ccc([C@]2(Cn3cc[nH+]c3)OCCc3ccccc32)cc1 ZINC000005974848 181302762 /nfs/dbraw/zinc/30/27/62/181302762.db2.gz RJLDOMZTZILLOI-IBGZPJMESA-N 1 2 324.811 4.053 1 0 DIAFLO O=C1C[C@H]([NH2+]Cc2ccccc2)c2c(Cl)sc(Cl)c21 ZINC000006004727 181304684 /nfs/dbraw/zinc/30/46/84/181304684.db2.gz JEAQIQHZRSZYRC-VIFPVBQESA-N 1 2 312.221 4.472 1 0 DIAFLO CC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc4[nH]cnc4c23)cc1 ZINC000039214875 183014790 /nfs/dbraw/zinc/01/47/90/183014790.db2.gz LUABBDCCEQXDAG-UHFFFAOYSA-N 1 2 316.364 4.366 1 0 DIAFLO COc1ccc(-c2ccc(OC)c3c2CC[NH+]=C3)c2ccccc12 ZINC000064447456 184297610 /nfs/dbraw/zinc/29/76/10/184297610.db2.gz VSFQLRVXYCWZAH-UHFFFAOYSA-N 1 2 317.388 4.499 1 0 DIAFLO Cn1cc([C@H](Nc2cccc[nH+]2)c2ccccn2)c2ccccc21 ZINC000095563237 185380032 /nfs/dbraw/zinc/38/00/32/185380032.db2.gz IZYWJSMYDSJFAR-FQEVSTJZSA-N 1 2 314.392 4.170 1 0 DIAFLO Cc1ccc(-n2c(Cn3cc[nH+]c3)cc3ccc(C)cc32)cc1 ZINC000095587321 185381557 /nfs/dbraw/zinc/38/15/57/185381557.db2.gz YSJSUQXQYWSCNL-UHFFFAOYSA-N 1 2 301.393 4.492 1 0 DIAFLO Cn1cc([C@@H](Nc2cccc[nH+]2)c2ccncc2)c2ccccc21 ZINC000095560568 185379879 /nfs/dbraw/zinc/37/98/79/185379879.db2.gz YUYSIZRNEOIRHF-FQEVSTJZSA-N 1 2 314.392 4.170 1 0 DIAFLO Clc1ccc2c(Nc3cccc(C4=NCCO4)c3)cc[nH+]c2c1 ZINC000072178589 191070618 /nfs/dbraw/zinc/07/06/18/191070618.db2.gz RMRGSRDPQLUYAK-UHFFFAOYSA-N 1 2 323.783 4.409 1 0 DIAFLO Cc1[nH]c2c([nH+]1)CCCCCCCCC[C@@H](C)OC(=O)C=C2 ZINC000072175358 191070845 /nfs/dbraw/zinc/07/08/45/191070845.db2.gz JKRWNYNYPTVETN-XTZCOPOCSA-N 1 2 304.434 4.340 1 0 DIAFLO Clc1ccc([C@@]2(Cn3cc[nH+]c3)OCCc3ccccc32)cc1 ZINC000005974849 181302730 /nfs/dbraw/zinc/30/27/30/181302730.db2.gz RJLDOMZTZILLOI-LJQANCHMSA-N 1 2 324.811 4.053 1 0 DIAFLO Clc1ccccc1-c1nc2ccccc2c(-n2cc[nH+]c2)n1 ZINC000004239416 181087151 /nfs/dbraw/zinc/08/71/51/181087151.db2.gz OVELIFYVTQLMNW-UHFFFAOYSA-N 1 2 306.756 4.136 1 0 DIAFLO Nc1nc(N)c2c3c(sc2[nH+]1)CCCCCCCCCC3 ZINC000005840848 181288229 /nfs/dbraw/zinc/28/82/29/181288229.db2.gz JAGIFIWFCDRBDB-UHFFFAOYSA-N 1 2 304.463 4.075 1 0 DIAFLO c1cn(CC2(c3ccc4ccccc4c3)SCCS2)c[nH+]1 ZINC000027851272 182493093 /nfs/dbraw/zinc/49/30/93/182493093.db2.gz DEUFWVCGAHLAMF-UHFFFAOYSA-N 1 2 312.463 4.369 1 0 DIAFLO CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1[nH]cc[nH+]1)N2 ZINC000049037469 183704248 /nfs/dbraw/zinc/70/42/48/183704248.db2.gz QGNDFGGINNTJBD-XKQJLSEDSA-N 1 2 311.429 4.342 1 0 DIAFLO Nc1nc(Nc2cccc(Cl)c2)c2c([nH+]1)Cc1ccccc1-2 ZINC000059114680 184134638 /nfs/dbraw/zinc/13/46/38/184134638.db2.gz OPZGHXBSYDRRLL-UHFFFAOYSA-N 1 2 308.772 4.027 1 0 DIAFLO Cc1[nH]c2nc[nH+]c(Nc3cccc(Br)c3)c2c1C ZINC000000020644 581093315 /nfs/dbraw/zinc/09/33/15/581093315.db2.gz FCNOOCZWZIUGIT-UHFFFAOYSA-N 1 2 317.190 4.081 1 0 DIAFLO c1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1ccccn1 ZINC000095558184 185379587 /nfs/dbraw/zinc/37/95/87/185379587.db2.gz KDNLQVCNELFEPR-LJQANCHMSA-N 1 2 300.365 4.159 1 0 DIAFLO COc1c2c(ccc1[C@@H](C(C)C)n1cc[nH+]c1)OC(C)(C)C=C2 ZINC000072179846 191071644 /nfs/dbraw/zinc/07/16/44/191071644.db2.gz YZFAKIPLLGPXNO-QGZVFWFLSA-N 1 2 312.413 4.321 1 0 DIAFLO C[C@@H]1C[NH+](Cc2coc(-c3cccc4ccccc43)n2)C[C@@H](C)O1 ZINC000072182257 191072006 /nfs/dbraw/zinc/07/20/06/191072006.db2.gz VQPGCKDXQCIUDZ-HUUCEWRRSA-N 1 2 322.408 4.104 1 0 DIAFLO Clc1ccc([C@@]2(Cn3cc[nH+]c3)OCc3ccccc32)cc1 ZINC000005974855 181302965 /nfs/dbraw/zinc/30/29/65/181302965.db2.gz AQOOHFNULDBPND-GOSISDBHSA-N 1 2 310.784 4.011 1 0 DIAFLO Cc1ccc2[nH+]c(-c3cccnc3)c(Nc3ccccc3)n2c1 ZINC000020154190 182193091 /nfs/dbraw/zinc/19/30/91/182193091.db2.gz NCSCGSILWGYGDZ-UHFFFAOYSA-N 1 2 300.365 4.448 1 0 DIAFLO FC(F)(F)c1ccc(O[C@H]2CCCC[C@@H]2n2cc[nH+]c2)cc1 ZINC000066073843 184387000 /nfs/dbraw/zinc/38/70/00/184387000.db2.gz AYYMHDZGYPKMRO-GJZGRUSLSA-N 1 2 310.319 4.465 1 0 DIAFLO Nc1nc2[nH]c3cccc(Cl)c3c2c(Nc2ccccc2)[nH+]1 ZINC000095587507 185381447 /nfs/dbraw/zinc/38/14/47/185381447.db2.gz FSZOXOIZWIXVKA-UHFFFAOYSA-N 1 2 309.760 4.090 1 0 DIAFLO C[C@@H]1C[N@@H+](Cc2coc(-c3cccc4ccccc43)n2)C[C@H](C)O1 ZINC000072182255 191072592 /nfs/dbraw/zinc/07/25/92/191072592.db2.gz VQPGCKDXQCIUDZ-GASCZTMLSA-N 1 2 322.408 4.104 1 0 DIAFLO C[C@@H]1C[N@H+](Cc2coc(-c3cccc4ccccc43)n2)C[C@H](C)O1 ZINC000072182255 191072594 /nfs/dbraw/zinc/07/25/94/191072594.db2.gz VQPGCKDXQCIUDZ-GASCZTMLSA-N 1 2 322.408 4.104 1 0 DIAFLO Cc1ccccc1-c1nc(C[N@@H+]2CCc3ccccc3C2)co1 ZINC000072184035 191072625 /nfs/dbraw/zinc/07/26/25/191072625.db2.gz NQBJRUICGMHOMN-UHFFFAOYSA-N 1 2 304.393 4.208 1 0 DIAFLO Cc1ccccc1-c1nc(C[N@H+]2CCc3ccccc3C2)co1 ZINC000072184035 191072627 /nfs/dbraw/zinc/07/26/27/191072627.db2.gz NQBJRUICGMHOMN-UHFFFAOYSA-N 1 2 304.393 4.208 1 0 DIAFLO Fc1ccc(Cn2cc(Cn3cc[nH+]c3)c3ccccc32)c(F)c1 ZINC000003648619 181043567 /nfs/dbraw/zinc/04/35/67/181043567.db2.gz DZFUKWQZVWFNAX-UHFFFAOYSA-N 1 2 323.346 4.213 1 0 DIAFLO CC1=C(c2ccccc2)NC(=S)[C@@H](C)C(c2ccccc2)=[NH+]1 ZINC000073417908 191314931 /nfs/dbraw/zinc/31/49/31/191314931.db2.gz KPNGPCJADYPWJW-ZDUSSCGKSA-N 1 2 306.434 4.431 1 0 DIAFLO COc1ccc(Nc2cc(C)[nH+]c3ccc4[nH]c(C)nc4c23)cc1 ZINC000039214836 183015157 /nfs/dbraw/zinc/01/51/57/183015157.db2.gz VZDTUDVEMOYMAQ-UHFFFAOYSA-N 1 2 318.380 4.480 1 0 DIAFLO CC(C)c1ccccc1Nc1nc(N)[nH+]c2c1-c1ccccc1C2 ZINC000059114670 184134948 /nfs/dbraw/zinc/13/49/48/184134948.db2.gz DFMQLARCVPAGSC-UHFFFAOYSA-N 1 2 316.408 4.497 1 0 DIAFLO COc1ccc(-n2c(Cn3cc[nH+]c3)cc3ccc(C)cc32)cc1 ZINC000095588236 185381941 /nfs/dbraw/zinc/38/19/41/185381941.db2.gz NVMNKHSYZPZPKX-UHFFFAOYSA-N 1 2 317.392 4.192 1 0 DIAFLO Cc1ccc2[nH+]c(-c3ccc(F)cc3)c(Cc3ccccn3)n2c1 ZINC000095600322 185382498 /nfs/dbraw/zinc/38/24/98/185382498.db2.gz LNLLZBNFXDQGOC-UHFFFAOYSA-N 1 2 317.367 4.435 3 0 DIAFLO COc1ccc(CNc2cc3c(c[nH+]2)[nH]c2ccccc23)cc1 ZINC000072176409 191070982 /nfs/dbraw/zinc/07/09/82/191070982.db2.gz UMAJFIMEJGVIFK-UHFFFAOYSA-N 1 2 303.365 4.337 1 0 DIAFLO Cc1[nH+]c(-c2cnccc2C)n2c1c(C)nc1ccc(F)cc12 ZINC000073167625 191288008 /nfs/dbraw/zinc/28/80/08/191288008.db2.gz HCAMZAYKKOGLSU-UHFFFAOYSA-N 1 2 306.344 4.009 1 0 DIAFLO Cc1[nH+]c(-c2ccccc2C)n2c1c(C)nc1c(O)cc(F)cc12 ZINC000073169347 191287560 /nfs/dbraw/zinc/28/75/60/191287560.db2.gz CUCTWVMJSNSTKF-UHFFFAOYSA-N 1 2 321.355 4.319 1 0 DIAFLO Clc1ccc(C[C@@]2(Cn3cc[nH+]c3)OCc3ccccc32)cc1 ZINC000005974850 181302931 /nfs/dbraw/zinc/30/29/31/181302931.db2.gz QBBKCKCXBCFCPK-IBGZPJMESA-N 1 2 324.811 4.205 1 0 DIAFLO c1cn([C@@H](c2ccc(OCc3ccccc3)cc2)C2CC2)c[nH+]1 ZINC000096938116 185392957 /nfs/dbraw/zinc/39/29/57/185392957.db2.gz BLQFJRXEEBVYTR-HXUWFJFHSA-N 1 2 304.393 4.462 1 0 DIAFLO COc1cc2c(cc1OC)[C@@H](c1cccc3ccccc31)[NH2+]CC2 ZINC000003728027 181044755 /nfs/dbraw/zinc/04/47/55/181044755.db2.gz NWIIPPOVTFKIHP-OAQYLSRUSA-N 1 2 319.404 4.092 1 0 DIAFLO Cc1[nH+]ccc2c3cc(OC(=O)c4ccccc4)ccc3[nH]c21 ZINC000040466473 183072464 /nfs/dbraw/zinc/07/24/64/183072464.db2.gz MNBGXVRDNZLSPS-UHFFFAOYSA-N 1 2 302.333 4.244 1 0 DIAFLO Cn1c2cc(Cl)c(Cl)cc2[nH+]c1CCc1nccs1 ZINC000040566951 183103663 /nfs/dbraw/zinc/10/36/63/183103663.db2.gz IPPHOACXVZNWRA-UHFFFAOYSA-N 1 2 312.225 4.122 1 0 DIAFLO Cc1[nH+]cc(-c2ccnc(Nc3ccc(F)cc3)n2)n1C(C)C ZINC000040917925 183148383 /nfs/dbraw/zinc/14/83/83/183148383.db2.gz RXPIWEJYJNBHBB-UHFFFAOYSA-N 1 2 311.364 4.112 1 0 DIAFLO CC(C)(O)C1=[NH+]C=C[C@]2(O)C(=C1)CC[C@H]1C(C)(C)CCC[C@@]12C ZINC000014823697 560226893 /nfs/dbraw/zinc/22/68/93/560226893.db2.gz ZMXUXINJBFGKKP-YSSFQJQWSA-N 1 2 317.473 4.010 1 0 biogenic,in-vitro DIAFLO Cc1ccc2cc(Cn3cc[nH+]c3)n(-c3ccc(F)cc3)c2c1 ZINC000095591975 185381907 /nfs/dbraw/zinc/38/19/07/185381907.db2.gz QOVFEIOHFULTPL-UHFFFAOYSA-N 1 2 305.356 4.323 1 0 DIAFLO OC/C=C/c1cc(N2CCCCC2)c2cc(Cl)c(F)cc2[nH+]1 ZINC000096935466 185392638 /nfs/dbraw/zinc/39/26/38/185392638.db2.gz NOVXSMDUYSQLDN-SNAWJCMRSA-N 1 2 320.795 4.023 1 0 DIAFLO Clc1ccc2c(c1)[nH+]ccc2-n1cc(-c2ccccc2)nn1 ZINC000103269358 185443122 /nfs/dbraw/zinc/44/31/22/185443122.db2.gz UKEZYMLJAFVDLY-UHFFFAOYSA-N 1 2 306.756 4.136 1 0 DIAFLO COc1ccc(CNc2[nH+]ccc3c4ccccc4[nH]c32)cc1 ZINC000072175553 191070919 /nfs/dbraw/zinc/07/09/19/191070919.db2.gz IOACJLILJALAGC-UHFFFAOYSA-N 1 2 303.365 4.337 1 0 DIAFLO Cc1[nH+]c(-c2cnccc2C)n2c1c(C)nc1c(F)cc(F)cc12 ZINC000073196951 191290410 /nfs/dbraw/zinc/29/04/10/191290410.db2.gz CGKCKVMRGPUISE-UHFFFAOYSA-N 1 2 324.334 4.148 1 0 DIAFLO COc1ccc([C@H](Cc2ccc(Cl)cc2)n2cc[nH+]c2)cc1 ZINC000005889248 181293536 /nfs/dbraw/zinc/29/35/36/181293536.db2.gz VNWQGVYWBGBMTJ-SFHVURJKSA-N 1 2 312.800 4.377 1 0 DIAFLO c1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1ccccn1 ZINC000095558183 185379692 /nfs/dbraw/zinc/37/96/92/185379692.db2.gz KDNLQVCNELFEPR-IBGZPJMESA-N 1 2 300.365 4.159 1 0 DIAFLO Cn1cc([C@H](Nc2cccc[nH+]2)c2ccncc2)c2ccccc21 ZINC000095560567 185380051 /nfs/dbraw/zinc/38/00/51/185380051.db2.gz YUYSIZRNEOIRHF-HXUWFJFHSA-N 1 2 314.392 4.170 1 0 DIAFLO Clc1ccc2c(Nc3ccc(C4=NCCO4)cc3)cc[nH+]c2c1 ZINC000072178588 191070549 /nfs/dbraw/zinc/07/05/49/191070549.db2.gz JTPGLUQSBQLSLG-UHFFFAOYSA-N 1 2 323.783 4.409 1 0 DIAFLO Fc1ccc(Cn2cc(Cn3cc[nH+]c3)c3ccccc32)cc1 ZINC000003648628 181043386 /nfs/dbraw/zinc/04/33/86/181043386.db2.gz ODQXLKIBAWWFRU-UHFFFAOYSA-N 1 2 305.356 4.074 1 0 DIAFLO COc1cc2c(cc1OC)[C@H](c1cccc3ccccc31)[NH2+]CC2 ZINC000003728028 181044846 /nfs/dbraw/zinc/04/48/46/181044846.db2.gz NWIIPPOVTFKIHP-NRFANRHFSA-N 1 2 319.404 4.092 1 0 DIAFLO Clc1ccc(C[C@]2(Cn3cc[nH+]c3)OCc3ccccc32)cc1 ZINC000005974854 181302760 /nfs/dbraw/zinc/30/27/60/181302760.db2.gz QBBKCKCXBCFCPK-LJQANCHMSA-N 1 2 324.811 4.205 1 0 DIAFLO C[NH+]1CC(OCc2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1 ZINC000096924131 185391716 /nfs/dbraw/zinc/39/17/16/185391716.db2.gz NNURBLMVFJICTR-UHFFFAOYSA-N 1 2 322.235 4.351 1 0 DIAFLO Nc1ccc(-c2ccc(-c3cc(=O)c4ccccc4o3)cc2)c[nH+]1 ZINC000096937344 185392978 /nfs/dbraw/zinc/39/29/78/185392978.db2.gz INWKNEOZVPIMLS-UHFFFAOYSA-N 1 2 314.344 4.104 1 0 DIAFLO COc1ccccc1CNc1[nH+]ccc2c3ccccc3[nH]c21 ZINC000072175512 191070365 /nfs/dbraw/zinc/07/03/65/191070365.db2.gz SXPRJSJDONNAPG-UHFFFAOYSA-N 1 2 303.365 4.337 1 0 DIAFLO CC(C)[NH2+]N1CCC2(CC1)O[C@H](c1ccccc1)c1ccccc12 ZINC000039214207 183014788 /nfs/dbraw/zinc/01/47/88/183014788.db2.gz MZPRTWARTUFADN-HXUWFJFHSA-N 1 2 322.452 4.010 1 0 DIAFLO COc1ccccc1Nc1cc(C)[nH+]c2ccc3[nH]cnc3c12 ZINC000039214834 183014973 /nfs/dbraw/zinc/01/49/73/183014973.db2.gz URUFZLCSJPBRPM-UHFFFAOYSA-N 1 2 304.353 4.172 1 0 DIAFLO c1cn([C@H](c2ccc(OCc3ccccc3)cc2)C2CC2)c[nH+]1 ZINC000096938117 185392883 /nfs/dbraw/zinc/39/28/83/185392883.db2.gz BLQFJRXEEBVYTR-FQEVSTJZSA-N 1 2 304.393 4.462 1 0 DIAFLO Cc1[nH+]c(-c2ccncc2C)n2c1c(C)nc1c(F)cc(F)cc12 ZINC000073196952 191291912 /nfs/dbraw/zinc/29/19/12/191291912.db2.gz HLHJPSPCRBIQQL-UHFFFAOYSA-N 1 2 324.334 4.148 1 0 DIAFLO Clc1ccc([C@]2(Cn3cc[nH+]c3)OCc3ccccc32)cc1 ZINC000005974851 181303031 /nfs/dbraw/zinc/30/30/31/181303031.db2.gz AQOOHFNULDBPND-SFHVURJKSA-N 1 2 310.784 4.011 1 0 DIAFLO CCc1cc(Nc2ccc(OC)cc2)c2c3nc[nH]c3ccc2[nH+]1 ZINC000039214838 183014739 /nfs/dbraw/zinc/01/47/39/183014739.db2.gz LMNFMHPQDBOAAY-UHFFFAOYSA-N 1 2 318.380 4.426 1 0 DIAFLO Nc1nc(Nc2ccc(Cl)cc2)c2c([nH+]1)Cc1ccccc1-2 ZINC000059114687 184134612 /nfs/dbraw/zinc/13/46/12/184134612.db2.gz PUNTVOFUMRATBV-UHFFFAOYSA-N 1 2 308.772 4.027 1 0 DIAFLO COc1cccc(CNc2[nH+]ccc3c4ccccc4[nH]c32)c1 ZINC000072176794 191070481 /nfs/dbraw/zinc/07/04/81/191070481.db2.gz PMOQTYOVORIZDU-UHFFFAOYSA-N 1 2 303.365 4.337 1 0 DIAFLO CC1=C(c2ccccc2)NC(=S)[C@H](C)C(c2ccccc2)=[NH+]1 ZINC000073417907 191315857 /nfs/dbraw/zinc/31/58/57/191315857.db2.gz KPNGPCJADYPWJW-CYBMUJFWSA-N 1 2 306.434 4.431 1 0 DIAFLO CC(C)=CC[N@@H+]1[C@H](C)Cn2c(=O)[nH]c3cc(Cl)cc(c32)[C@@H]1C ZINC000006488691 181345076 /nfs/dbraw/zinc/34/50/76/181345076.db2.gz DDIGVGXTINKZHL-NEPJUHHUSA-N 1 2 319.836 4.127 1 0 DIAFLO CC(C)=CC[N@H+]1[C@H](C)Cn2c(=O)[nH]c3cc(Cl)cc(c32)[C@@H]1C ZINC000006488691 181345077 /nfs/dbraw/zinc/34/50/77/181345077.db2.gz DDIGVGXTINKZHL-NEPJUHHUSA-N 1 2 319.836 4.127 1 0 DIAFLO CC(C)[NH2+]N1CCC2(CC1)O[C@@H](c1ccccc1)c1ccccc12 ZINC000039214206 183014839 /nfs/dbraw/zinc/01/48/39/183014839.db2.gz MZPRTWARTUFADN-FQEVSTJZSA-N 1 2 322.452 4.010 1 0 DIAFLO O=C1OC2(CCC(c3[nH]c4ccccc4[nH+]3)CC2)c2ccccc21 ZINC000040950725 183150895 /nfs/dbraw/zinc/15/08/95/183150895.db2.gz DHVUMOGGIQFYED-UHFFFAOYSA-N 1 2 318.376 4.286 1 0 DIAFLO CC(C)c1ccc(Nc2nc(N)[nH+]c3c2-c2ccccc2C3)cc1 ZINC000059114673 184134621 /nfs/dbraw/zinc/13/46/21/184134621.db2.gz PUPIDEKMUKQDBG-UHFFFAOYSA-N 1 2 316.408 4.497 1 0 DIAFLO