smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000013032841 956909680 /nfs/dbraw/zinc/90/96/80/956909680.db2.gz WGZITAZWAMOYCG-SECBINFHSA-N -3 3 392.411 -0.862 20 50 GBGDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000013032843 956909776 /nfs/dbraw/zinc/90/97/76/956909776.db2.gz WGZITAZWAMOYCG-VIFPVBQESA-N -3 3 392.411 -0.862 20 50 GBGDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000013032849 956909816 /nfs/dbraw/zinc/90/98/16/956909816.db2.gz OAXAOTZVWFEOHA-SNVBAGLBSA-N -3 3 390.439 -0.254 20 50 GBGDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCS(=O)(=O)C2)c1C ZINC000013032850 956909303 /nfs/dbraw/zinc/90/93/03/956909303.db2.gz OAXAOTZVWFEOHA-JTQLQIEISA-N -3 3 390.439 -0.254 20 50 GBGDHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@@H]1CCc2nncn2C1 ZINC000368317230 971550047 /nfs/dbraw/zinc/55/00/47/971550047.db2.gz MHWSAGYKTGSSDN-SECBINFHSA-N -3 3 397.388 -0.004 20 50 GBGDHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)[C@H]1CCc2nncn2C1 ZINC000368317231 971549964 /nfs/dbraw/zinc/54/99/64/971549964.db2.gz MHWSAGYKTGSSDN-VIFPVBQESA-N -3 3 397.388 -0.004 20 50 GBGDHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000731104293 978296955 /nfs/dbraw/zinc/29/69/55/978296955.db2.gz FUIQPBPPAHFVFD-SECBINFHSA-N -3 3 376.412 -0.563 20 50 GBGDHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000731104294 978296884 /nfs/dbraw/zinc/29/68/84/978296884.db2.gz FUIQPBPPAHFVFD-VIFPVBQESA-N -3 3 376.412 -0.563 20 50 GBGDHL CC(C)(C)OC(=O)NCCNC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735636452 944681154 /nfs/dbraw/zinc/68/11/54/944681154.db2.gz VOQXUWXEDHYDER-UHFFFAOYSA-N -2 3 391.392 -0.270 20 50 GBGDHL CC(C)NC(=O)C(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735881660 944708223 /nfs/dbraw/zinc/70/82/23/944708223.db2.gz KVZIEXRAHZYDJU-UHFFFAOYSA-N -2 3 387.809 -0.646 20 50 GBGDHL CC(C)NC(=O)C(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735881660 944708218 /nfs/dbraw/zinc/70/82/18/944708218.db2.gz KVZIEXRAHZYDJU-UHFFFAOYSA-N -2 3 387.809 -0.646 20 50 GBGDHL CC(C)NC(=O)C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735883148 944709242 /nfs/dbraw/zinc/70/92/42/944709242.db2.gz WTXWDVGNGFTVNW-UHFFFAOYSA-N -2 3 387.809 -0.646 20 50 GBGDHL CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736344518 944804757 /nfs/dbraw/zinc/80/47/57/944804757.db2.gz AEGBOGQENHMJOT-UHFFFAOYSA-N -2 3 399.408 -0.380 20 50 GBGDHL CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736344547 944804193 /nfs/dbraw/zinc/80/41/93/944804193.db2.gz AMWPWCZYKOMALL-UHFFFAOYSA-N -2 3 381.418 -0.519 20 50 GBGDHL CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736345851 944804460 /nfs/dbraw/zinc/80/44/60/944804460.db2.gz MSIYEWADAHZAHU-UHFFFAOYSA-N -2 3 381.418 -0.519 20 50 GBGDHL CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736346212 944804612 /nfs/dbraw/zinc/80/46/12/944804612.db2.gz UZXAILWKYRAQMN-UHFFFAOYSA-N -2 3 395.445 -0.211 20 50 GBGDHL CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736346379 944805352 /nfs/dbraw/zinc/80/53/52/944805352.db2.gz ZNNVRYDHSOGDHS-UHFFFAOYSA-N -2 3 381.418 -0.519 20 50 GBGDHL CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736346379 944805341 /nfs/dbraw/zinc/80/53/41/944805341.db2.gz ZNNVRYDHSOGDHS-UHFFFAOYSA-N -2 3 381.418 -0.519 20 50 GBGDHL CCC(CC)NC(=O)C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736346393 944804641 /nfs/dbraw/zinc/80/46/41/944804641.db2.gz ZYHKNAYOLGXVJR-UHFFFAOYSA-N -2 3 395.445 -0.211 20 50 GBGDHL COC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000736947629 944917476 /nfs/dbraw/zinc/91/74/76/944917476.db2.gz BRHSRJCZAWOENM-UHFFFAOYSA-N -2 3 392.353 -0.130 20 50 GBGDHL COC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000736947629 944917470 /nfs/dbraw/zinc/91/74/70/944917470.db2.gz BRHSRJCZAWOENM-UHFFFAOYSA-N -2 3 392.353 -0.130 20 50 GBGDHL COC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736948607 944917760 /nfs/dbraw/zinc/91/77/60/944917760.db2.gz JWXUOLOQAJIJEL-UHFFFAOYSA-N -2 3 392.353 -0.130 20 50 GBGDHL COC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736948607 944917755 /nfs/dbraw/zinc/91/77/55/944917755.db2.gz JWXUOLOQAJIJEL-UHFFFAOYSA-N -2 3 392.353 -0.130 20 50 GBGDHL COc1c(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(C)nn1C ZINC000737025341 944934804 /nfs/dbraw/zinc/93/48/04/944934804.db2.gz YNOAJJBKQKTWGR-UHFFFAOYSA-N -2 3 386.372 -0.243 20 50 GBGDHL COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[N-]C(=O)c1cn[nH]n1 ZINC000737033465 944937617 /nfs/dbraw/zinc/93/76/17/944937617.db2.gz POGSYJMVUORHMB-UHFFFAOYSA-N -2 3 387.360 -0.386 20 50 GBGDHL COc1ccccc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737139210 944966489 /nfs/dbraw/zinc/96/64/89/944966489.db2.gz URIGDOCMTQGSDS-UHFFFAOYSA-N -2 3 375.370 -0.106 20 50 GBGDHL CS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737173736 944976528 /nfs/dbraw/zinc/97/65/28/944976528.db2.gz MYWGCWWMUOWKPW-UHFFFAOYSA-N -2 3 376.354 -0.062 20 50 GBGDHL CS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737173736 944976524 /nfs/dbraw/zinc/97/65/24/944976524.db2.gz MYWGCWWMUOWKPW-UHFFFAOYSA-N -2 3 376.354 -0.062 20 50 GBGDHL CS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737174207 944976498 /nfs/dbraw/zinc/97/64/98/944976498.db2.gz SFCSDMDJTIMTBQ-UHFFFAOYSA-N -2 3 376.354 -0.062 20 50 GBGDHL CS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737174207 944976495 /nfs/dbraw/zinc/97/64/95/944976495.db2.gz SFCSDMDJTIMTBQ-UHFFFAOYSA-N -2 3 376.354 -0.062 20 50 GBGDHL CS(=O)(=O)c1cccc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737174548 944976610 /nfs/dbraw/zinc/97/66/10/944976610.db2.gz YCNHHOAFKBBDJE-UHFFFAOYSA-N -2 3 387.381 -0.260 20 50 GBGDHL Cc1cc(C)n2nc(C(=O)[N-]NC(=O)c3cccc(-c4nn[n-]n4)c3)nc2n1 ZINC000737256004 945022447 /nfs/dbraw/zinc/02/24/47/945022447.db2.gz GBYQCFITOOUZHU-UHFFFAOYSA-N -2 3 378.356 -0.004 20 50 GBGDHL Cc1cc(C)n2nc(C(=O)[N-]NC(=O)c3cccc(-c4nnn[n-]4)c3)nc2n1 ZINC000737256004 945022438 /nfs/dbraw/zinc/02/24/38/945022438.db2.gz GBYQCFITOOUZHU-UHFFFAOYSA-N -2 3 378.356 -0.004 20 50 GBGDHL Cc1nc(SCC(=O)N[N-]C(=O)c2cn[nH]n2)c(-c2nn[n-]n2)c(C)c1C ZINC000737484038 945079106 /nfs/dbraw/zinc/07/91/06/945079106.db2.gz RMUIQEHKWRBJJP-UHFFFAOYSA-N -2 3 388.417 -0.142 20 50 GBGDHL Cc1nc(SCC(=O)N[N-]C(=O)c2cn[nH]n2)c(-c2nnn[n-]2)c(C)c1C ZINC000737484038 945079097 /nfs/dbraw/zinc/07/90/97/945079097.db2.gz RMUIQEHKWRBJJP-UHFFFAOYSA-N -2 3 388.417 -0.142 20 50 GBGDHL Cc1ncsc1C(=O)[N-]NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737498967 945081777 /nfs/dbraw/zinc/08/17/77/945081777.db2.gz HZWRXYOMAADUKW-UHFFFAOYSA-N -2 3 386.397 -0.177 20 50 GBGDHL Cc1ncsc1C(=O)[N-]NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737498967 945081767 /nfs/dbraw/zinc/08/17/67/945081767.db2.gz HZWRXYOMAADUKW-UHFFFAOYSA-N -2 3 386.397 -0.177 20 50 GBGDHL Cn1cc(C(=O)N[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737602630 945100355 /nfs/dbraw/zinc/10/03/55/945100355.db2.gz KNMPWWDBMXHUIX-UHFFFAOYSA-N -2 3 382.793 -0.123 20 50 GBGDHL Cn1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C(=O)[O-] ZINC000737609892 945102661 /nfs/dbraw/zinc/10/26/61/945102661.db2.gz KZVFWXOSZZSTIR-UHFFFAOYSA-N -3 3 391.369 -0.473 20 50 GBGDHL Cn1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C(=O)[O-] ZINC000737609892 945102655 /nfs/dbraw/zinc/10/26/55/945102655.db2.gz KZVFWXOSZZSTIR-UHFFFAOYSA-N -3 3 391.369 -0.473 20 50 GBGDHL Cn1cccc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737611943 945102941 /nfs/dbraw/zinc/10/29/41/945102941.db2.gz FNJMXCMJROZRCE-UHFFFAOYSA-N -2 3 392.357 -0.263 20 50 GBGDHL Cn1cccc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737611943 945102937 /nfs/dbraw/zinc/10/29/37/945102937.db2.gz FNJMXCMJROZRCE-UHFFFAOYSA-N -2 3 392.357 -0.263 20 50 GBGDHL Cn1cnc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000737618893 945104899 /nfs/dbraw/zinc/10/48/99/945104899.db2.gz ONIAUJZVUVADQI-UHFFFAOYSA-N -2 3 382.793 -0.123 20 50 GBGDHL Cn1cnc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000737618893 945104896 /nfs/dbraw/zinc/10/48/96/945104896.db2.gz ONIAUJZVUVADQI-UHFFFAOYSA-N -2 3 382.793 -0.123 20 50 GBGDHL Cn1nc(C(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)c2ccccc2c1=O ZINC000737623212 945103981 /nfs/dbraw/zinc/10/39/81/945103981.db2.gz QSKMPHVUKFBDFF-UHFFFAOYSA-N -2 3 391.351 -0.417 20 50 GBGDHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)c2cnn(C)c2)c1 ZINC000737653646 978426660 /nfs/dbraw/zinc/42/66/60/978426660.db2.gz IUAKXEZAPCVQHL-UHFFFAOYSA-N -3 3 382.354 -0.472 20 50 GBGDHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-][N-]C(=O)c2cnn(C)c2)c1 ZINC000737680476 978430121 /nfs/dbraw/zinc/43/01/21/978430121.db2.gz FRUCSGPQMBKKBM-UHFFFAOYSA-N -3 3 382.354 -0.472 20 50 GBGDHL COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)c2cnn(C)c2)c(C(=O)[O-])s1 ZINC000737681535 978430130 /nfs/dbraw/zinc/43/01/30/978430130.db2.gz RMCTYHSGZVRPDW-UHFFFAOYSA-N -3 3 388.383 -0.410 20 50 GBGDHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1cnn(C)c1 ZINC000737689266 978430753 /nfs/dbraw/zinc/43/07/53/978430753.db2.gz UNLRUWVSVZXPRH-UHFFFAOYSA-N -3 3 382.354 -0.472 20 50 GBGDHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)c1cnn(C)c1 ZINC000737719635 978438904 /nfs/dbraw/zinc/43/89/04/978438904.db2.gz ZWUPHBVBLUMKJZ-UHFFFAOYSA-N -3 3 388.383 -0.410 20 50 GBGDHL NC(=O)c1ccc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737758642 945123031 /nfs/dbraw/zinc/12/30/31/945123031.db2.gz AZXSHFCVEKBUAM-UHFFFAOYSA-N -2 3 387.381 -0.133 20 50 GBGDHL NC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737762353 945122767 /nfs/dbraw/zinc/12/27/67/945122767.db2.gz ZAXUNLQPRDQNME-UHFFFAOYSA-N -2 3 387.381 -0.411 20 50 GBGDHL NC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737762353 945122761 /nfs/dbraw/zinc/12/27/61/945122761.db2.gz ZAXUNLQPRDQNME-UHFFFAOYSA-N -2 3 387.381 -0.411 20 50 GBGDHL NS(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737765909 945123071 /nfs/dbraw/zinc/12/30/71/945123071.db2.gz QSUJRPFMMLXACP-UHFFFAOYSA-N -2 3 393.410 -0.350 20 50 GBGDHL O=C(COCc1ccccc1)N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737916219 945150003 /nfs/dbraw/zinc/15/00/03/945150003.db2.gz MYQWRLVXFQDKCU-UHFFFAOYSA-N -2 3 389.397 -0.212 20 50 GBGDHL O=C(COc1ccccc1O)N[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737929511 945157044 /nfs/dbraw/zinc/15/70/44/945157044.db2.gz JYBAFEFDRRDURS-UHFFFAOYSA-N -2 3 390.381 -0.039 20 50 GBGDHL O=C(COc1ccccc1O)N[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737929511 945157041 /nfs/dbraw/zinc/15/70/41/945157041.db2.gz JYBAFEFDRRDURS-UHFFFAOYSA-N -2 3 390.381 -0.039 20 50 GBGDHL O=C(COc1ccccc1O)N[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737930912 945158328 /nfs/dbraw/zinc/15/83/28/945158328.db2.gz SYKMMUMOGOJIFF-UHFFFAOYSA-N -2 3 390.381 -0.039 20 50 GBGDHL O=C(COc1ccccc1O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737931193 945158127 /nfs/dbraw/zinc/15/81/27/945158127.db2.gz UICUSLLEJZICMD-UHFFFAOYSA-N -2 3 390.381 -0.039 20 50 GBGDHL O=C(COc1ccccc1O)N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737931301 945157999 /nfs/dbraw/zinc/15/79/99/945157999.db2.gz UNGNCWVNRSKFJR-UHFFFAOYSA-N -2 3 391.369 -0.644 20 50 GBGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000738061303 978471517 /nfs/dbraw/zinc/47/15/17/978471517.db2.gz RWJFZMVGMYPVDL-MRVPVSSYSA-N -3 3 392.411 -0.862 20 50 GBGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000738061307 978471429 /nfs/dbraw/zinc/47/14/29/978471429.db2.gz RWJFZMVGMYPVDL-QMMMGPOBSA-N -3 3 392.411 -0.862 20 50 GBGDHL O=C([N-]NC(=O)C1CCN(c2ncccn2)CC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738130144 945206515 /nfs/dbraw/zinc/20/65/15/945206515.db2.gz LRVQRGHEYVXUTM-UHFFFAOYSA-N -2 3 394.399 -0.271 20 50 GBGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccoc1 ZINC000738134726 945222949 /nfs/dbraw/zinc/22/29/49/945222949.db2.gz RTKAEFCJSRDISD-UHFFFAOYSA-N -2 3 379.314 -0.009 20 50 GBGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000738134851 945222263 /nfs/dbraw/zinc/22/22/63/945222263.db2.gz VSXKPKOSCRVIHS-UHFFFAOYSA-N -2 3 378.330 -0.274 20 50 GBGDHL O=C(N[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000738134851 945222253 /nfs/dbraw/zinc/22/22/53/945222253.db2.gz VSXKPKOSCRVIHS-UHFFFAOYSA-N -2 3 378.330 -0.274 20 50 GBGDHL O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000738134854 945223563 /nfs/dbraw/zinc/22/35/63/945223563.db2.gz VXLPWWNUAGJTAM-UHFFFAOYSA-N -3 3 377.342 -0.484 20 50 GBGDHL O=C([O-])c1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000738134854 945223560 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O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCc3nncn3C2)c1 ZINC000793450776 978810430 /nfs/dbraw/zinc/81/04/30/978810430.db2.gz OBIWWRYOSRWBRL-SECBINFHSA-N -3 3 383.361 -0.313 20 50 GBGDHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCc3nncn3C2)c1 ZINC000793450777 978810242 /nfs/dbraw/zinc/81/02/42/978810242.db2.gz OBIWWRYOSRWBRL-VIFPVBQESA-N -3 3 383.361 -0.313 20 50 GBGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCc3nncn3C2)ccc1F ZINC000793451918 978810619 /nfs/dbraw/zinc/81/06/19/978810619.db2.gz VFSYXKXHGRSSCD-MRVPVSSYSA-N -3 3 383.361 -0.313 20 50 GBGDHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCc3nncn3C2)ccc1F ZINC000793451919 978810283 /nfs/dbraw/zinc/81/02/83/978810283.db2.gz VFSYXKXHGRSSCD-QMMMGPOBSA-N -3 3 383.361 -0.313 20 50 GBGDHL COC(=O)c1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c[nH]1 ZINC000821667970 945788714 /nfs/dbraw/zinc/78/87/14/945788714.db2.gz JEOACNAUMDZNLQ-UHFFFAOYSA-N -2 3 391.369 -0.395 20 50 GBGDHL COC(=O)c1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c[nH]1 ZINC000821667970 945788705 /nfs/dbraw/zinc/78/87/05/945788705.db2.gz JEOACNAUMDZNLQ-UHFFFAOYSA-N -2 3 391.369 -0.395 20 50 GBGDHL COC(=O)c1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000821668028 945787576 /nfs/dbraw/zinc/78/75/76/945787576.db2.gz LUVRMMZVDWMUQB-UHFFFAOYSA-N -2 3 391.369 -0.395 20 50 GBGDHL COC(=O)c1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000821668028 945787568 /nfs/dbraw/zinc/78/75/68/945787568.db2.gz LUVRMMZVDWMUQB-UHFFFAOYSA-N -2 3 391.369 -0.395 20 50 GBGDHL CSc1[nH]c(=O)c(C(=O)N[N-]C(=O)c2cc(C)[nH]n2)cc1-c1nn[n-]n1 ZINC000821977219 945912885 /nfs/dbraw/zinc/91/28/85/945912885.db2.gz FEIUPBALRVROOB-UHFFFAOYSA-N -2 3 375.374 -0.204 20 50 GBGDHL CSc1[nH]c(=O)c(C(=O)N[N-]C(=O)c2cc(C)[nH]n2)cc1-c1nnn[n-]1 ZINC000821977219 945912877 /nfs/dbraw/zinc/91/28/77/945912877.db2.gz FEIUPBALRVROOB-UHFFFAOYSA-N -2 3 375.374 -0.204 20 50 GBGDHL 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