smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](C)Nc2cccc(Br)c2)c(O)c1 ZINC000020090395 182185952 /nfs/dbraw/zinc/18/59/52/182185952.db2.gz OJMYWOMMXVWNBS-LLVKDONJSA-N 0 0 306.203 4.636 20 10 DJCDRN Cc1ccc([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)c(O)c1C ZINC000273582535 130140408 /nfs/dbraw/zinc/14/04/08/130140408.db2.gz NBDFVEJTVQWPAJ-OAHLLOKOSA-N 0 0 322.408 4.515 20 10 DJCDRN C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000170789274 332636438 /nfs/dbraw/zinc/63/64/38/332636438.db2.gz KXPHTXDUVNGMIY-YJYMSZOUSA-N 0 0 311.356 4.565 20 10 DJCDRN CC[C@@H](Nc1cccc(C2CCOCC2)c1)c1ccccc1O ZINC000527997350 337778997 /nfs/dbraw/zinc/77/89/97/337778997.db2.gz XSGFVQDQPQWPAI-LJQANCHMSA-N 0 0 311.425 4.849 20 10 DJCDRN CC[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc(Cl)c1[O-] ZINC000287666725 535809214 /nfs/dbraw/zinc/80/92/14/535809214.db2.gz LYAUDQCUWILFSK-XJKSGUPXSA-N 0 0 323.864 4.578 20 10 DJCDRN CCCCN(C(=O)Cc1ccc(N)cc1)[C@H](CC)c1ccccc1 ZINC000236744967 201989581 /nfs/dbraw/zinc/98/95/81/201989581.db2.gz FPAZIPXXYAVJLO-HXUWFJFHSA-N 0 0 324.468 4.591 20 10 DJCDRN CC[C@@H]([NH2+][C@@H](CC)c1cccc(Cl)c1[O-])c1ccncc1 ZINC000287637189 131291931 /nfs/dbraw/zinc/29/19/31/131291931.db2.gz KSSQSLMPOFKHEW-CVEARBPZSA-N 0 0 304.821 4.633 20 10 DJCDRN CCc1nc([C@@H](C)[NH2+][C@H](CC)c2cccc(Cl)c2[O-])cs1 ZINC000287780388 131300085 /nfs/dbraw/zinc/30/00/85/131300085.db2.gz SCYQRAZYOILROX-ZWNOBZJWSA-N 0 0 324.877 4.866 20 10 DJCDRN C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000185356324 333207598 /nfs/dbraw/zinc/20/75/98/333207598.db2.gz QETQNIWLUFCGED-CYBMUJFWSA-N 0 0 304.384 4.541 20 10 DJCDRN Cc1ccc(O)c([C@@H](C)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000185234919 337203517 /nfs/dbraw/zinc/20/35/17/337203517.db2.gz RRIZISPJOIKGKC-RDTXWAMCSA-N 0 0 324.449 4.597 20 10 DJCDRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1-c1ncco1 ZINC000186478794 337256484 /nfs/dbraw/zinc/25/64/84/337256484.db2.gz FMJCCYHFTSUONL-LBPRGKRZSA-N 0 0 312.344 4.668 20 10 DJCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(C)c(-c3ncco3)c2)c1 ZINC000186478752 337256522 /nfs/dbraw/zinc/25/65/22/337256522.db2.gz BMKSWIVRAWPCFL-CQSZACIVSA-N 0 0 308.381 4.837 20 10 DJCDRN CCCC(=O)Nc1cccc(N[C@@H](C)c2ccccc2O)c1C ZINC000183652602 519880334 /nfs/dbraw/zinc/88/03/34/519880334.db2.gz ISOBFSORKXPTTL-AWEZNQCLSA-N 0 0 312.413 4.612 20 10 DJCDRN CC[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc(Cl)c1[O-] ZINC000287666703 535946986 /nfs/dbraw/zinc/94/69/86/535946986.db2.gz LYAUDQCUWILFSK-BBRMVZONSA-N 0 0 323.864 4.578 20 10 DJCDRN Cc1cc(N[C@@H](C)c2ccccc2O)ccc1Br ZINC000019908103 182162908 /nfs/dbraw/zinc/16/29/08/182162908.db2.gz AAAXTMXWOSHWDY-NSHDSACASA-N 0 0 306.203 4.636 20 10 DJCDRN CCC(=O)Nc1ccc(N[C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273483002 130125828 /nfs/dbraw/zinc/12/58/28/130125828.db2.gz VATAQFGXBPFMTL-AWEZNQCLSA-N 0 0 312.413 4.531 20 10 DJCDRN CC[C@H]([NH2+]Cc1nc(C(C)C)cs1)c1cccc(Cl)c1[O-] ZINC000287795741 131300367 /nfs/dbraw/zinc/30/03/67/131300367.db2.gz TVSWXSDIYCHMSE-ZDUSSCGKSA-N 0 0 324.877 4.866 20 10 DJCDRN Cc1nc(-c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)oc1C ZINC000296743356 131984792 /nfs/dbraw/zinc/98/47/92/131984792.db2.gz JLRSVULHUOWLJO-QGZVFWFLSA-N 0 0 320.392 4.763 20 10 DJCDRN C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000191203323 525579368 /nfs/dbraw/zinc/57/93/68/525579368.db2.gz POXGXPHMNUUTOD-IINYFYTJSA-N 0 0 321.392 4.558 20 10 DJCDRN CC[C@@H]([NH2+]Cc1nc(C(C)C)cs1)c1cccc(Cl)c1[O-] ZINC000287795740 535806407 /nfs/dbraw/zinc/80/64/07/535806407.db2.gz TVSWXSDIYCHMSE-CYBMUJFWSA-N 0 0 324.877 4.866 20 10 DJCDRN CC[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc(Cl)c1[O-] ZINC000287666711 535939831 /nfs/dbraw/zinc/93/98/31/535939831.db2.gz LYAUDQCUWILFSK-CJNGLKHVSA-N 0 0 323.864 4.578 20 10 DJCDRN COc1cc(Cl)cc(CNc2ccc(C)c(Cl)c2)c1O ZINC000076274167 191608656 /nfs/dbraw/zinc/60/86/56/191608656.db2.gz SEEQJYGVNDLNDA-UHFFFAOYSA-N 0 0 312.196 4.628 20 10 DJCDRN CCC(=O)Nc1ccc(N[C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000273483004 130125939 /nfs/dbraw/zinc/12/59/39/130125939.db2.gz VATAQFGXBPFMTL-CQSZACIVSA-N 0 0 312.413 4.531 20 10 DJCDRN CC[C@H]([NH2+]Cc1ccco1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287092042 131263588 /nfs/dbraw/zinc/26/35/88/131263588.db2.gz WEYJFYJWSVUDLZ-ZDUSSCGKSA-N 0 0 300.185 4.533 20 10 DJCDRN C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccc(F)cc1[O-] ZINC000185215697 333205592 /nfs/dbraw/zinc/20/55/92/333205592.db2.gz VNPKCQILIIRZRR-QFYYESIMSA-N 0 0 305.780 4.523 20 10 DJCDRN CCC(=O)Nc1ccc(N[C@H](CC)c2ccc(C)cc2O)cc1 ZINC000280193801 334114864 /nfs/dbraw/zinc/11/48/64/334114864.db2.gz SMFIYZKINAYWMC-QGZVFWFLSA-N 0 0 312.413 4.612 20 10 DJCDRN Clc1cc2ncc(Sc3nccs3)nc2cc1Cl ZINC000302113372 336349091 /nfs/dbraw/zinc/34/90/91/336349091.db2.gz VDNPLLRARFAFQR-UHFFFAOYSA-N 0 0 314.222 4.544 20 10 DJCDRN Cc1ccc(O)c([C@@H](C)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000185234884 337203643 /nfs/dbraw/zinc/20/36/43/337203643.db2.gz RRIZISPJOIKGKC-KDOFPFPSSA-N 0 0 324.449 4.597 20 10 DJCDRN C[C@H](Nc1cccc(C2CCOCC2)c1)c1cc(F)ccc1O ZINC000527997156 337778853 /nfs/dbraw/zinc/77/88/53/337778853.db2.gz VZENBDQKUHZFAJ-ZDUSSCGKSA-N 0 0 315.388 4.598 20 10 DJCDRN C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1cccnc1 ZINC000192609182 525528964 /nfs/dbraw/zinc/52/89/64/525528964.db2.gz ZVGXLNLJLIPFIS-UWVGGRQHSA-N 0 0 311.212 4.506 20 10 DJCDRN CCN(C)c1ccc([C@H](C)NCc2nc(C(C)C)cs2)cc1 ZINC000128559635 332500001 /nfs/dbraw/zinc/50/00/01/332500001.db2.gz CGCAHHKIQKQEPI-AWEZNQCLSA-N 0 0 317.502 4.573 20 10 DJCDRN Cc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1-c1ncco1 ZINC000186479061 337256514 /nfs/dbraw/zinc/25/65/14/337256514.db2.gz YWNGJKRQZYRWCE-GFCCVEGCSA-N 0 0 312.344 4.668 20 10 DJCDRN CC[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(F)cc1[O-] ZINC000527970697 337781336 /nfs/dbraw/zinc/78/13/36/337781336.db2.gz WZHCIVFTXGXCQK-VQIMIIECSA-N 0 0 314.404 4.508 20 10 DJCDRN C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000191203341 525651164 /nfs/dbraw/zinc/65/11/64/525651164.db2.gz POXGXPHMNUUTOD-QMTHXVAHSA-N 0 0 321.392 4.558 20 10 DJCDRN CC[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1cccc(Cl)c1[O-] ZINC000287552422 535806398 /nfs/dbraw/zinc/80/63/98/535806398.db2.gz FSDJJMMIQRTMAS-CYBMUJFWSA-N 0 0 322.861 4.620 20 10 DJCDRN CC[C@H]([NH2+][C@@H](CC)c1cccc(Cl)c1[O-])c1ccncc1 ZINC000287637191 535930345 /nfs/dbraw/zinc/93/03/45/535930345.db2.gz KSSQSLMPOFKHEW-HOTGVXAUSA-N 0 0 304.821 4.633 20 10 DJCDRN CC[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(F)cc1[O-] ZINC000286255891 131226371 /nfs/dbraw/zinc/22/63/71/131226371.db2.gz UXUJFVPYDUNHRZ-OAHLLOKOSA-N 0 0 309.331 4.710 20 10 DJCDRN CCc1nc([C@H](C)[NH2+][C@H](CC)c2cccc(Cl)c2[O-])cs1 ZINC000287780381 131299466 /nfs/dbraw/zinc/29/94/66/131299466.db2.gz SCYQRAZYOILROX-GXFFZTMASA-N 0 0 324.877 4.866 20 10 DJCDRN Cc1ccc([C@@H](C)Nc2ccc(C)c(-c3ncco3)c2)c(O)c1 ZINC000186478970 337256499 /nfs/dbraw/zinc/25/64/99/337256499.db2.gz DWLPSIPRBREFNS-CQSZACIVSA-N 0 0 308.381 4.837 20 10 DJCDRN CC[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc(Cl)c1[O-] ZINC000287666716 535808505 /nfs/dbraw/zinc/80/85/05/535808505.db2.gz LYAUDQCUWILFSK-CZUORRHYSA-N 0 0 323.864 4.578 20 10 DJCDRN CC[C@@H]([NH2+][C@H](CC)c1cccc(Cl)c1[O-])c1ccncc1 ZINC000287637193 535808819 /nfs/dbraw/zinc/80/88/19/535808819.db2.gz KSSQSLMPOFKHEW-HZPDHXFCSA-N 0 0 304.821 4.633 20 10 DJCDRN CC[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(F)cc1[O-] ZINC000286255884 535916217 /nfs/dbraw/zinc/91/62/17/535916217.db2.gz UXUJFVPYDUNHRZ-HNNXBMFYSA-N 0 0 309.331 4.710 20 10 DJCDRN CC[C@@H](Nc1cccc(Br)c1)c1ccccc1O ZINC000019941842 182168194 /nfs/dbraw/zinc/16/81/94/182168194.db2.gz HPXZOMWGLNYEES-CQSZACIVSA-N 0 0 306.203 4.718 20 10 DJCDRN Cc1ccc([C@@H](C)Nc2ccc(Br)cc2)c(O)c1 ZINC000020090312 182186162 /nfs/dbraw/zinc/18/61/62/182186162.db2.gz UGDSGMHLQHBQTI-LLVKDONJSA-N 0 0 306.203 4.636 20 10 DJCDRN CC[C@H](Nc1ccc(C)c(NC(C)=O)c1)c1ccc(C)cc1O ZINC000280054485 130779235 /nfs/dbraw/zinc/77/92/35/130779235.db2.gz JXMNIHOVJZGJDK-KRWDZBQOSA-N 0 0 312.413 4.531 20 10 DJCDRN CC[C@H]([NH2+]Cc1ccoc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287809303 131301447 /nfs/dbraw/zinc/30/14/47/131301447.db2.gz UOVPPWSAURAEKO-ZDUSSCGKSA-N 0 0 300.185 4.533 20 10 DJCDRN C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000185356311 333207476 /nfs/dbraw/zinc/20/74/76/333207476.db2.gz QETQNIWLUFCGED-ZDUSSCGKSA-N 0 0 304.384 4.541 20 10 DJCDRN C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cc(Cl)ccc1O ZINC000185357286 333207515 /nfs/dbraw/zinc/20/75/15/333207515.db2.gz NNWMSZZSGKWVMK-SNVBAGLBSA-N 0 0 311.759 4.834 20 10 DJCDRN CCC(=O)Nc1ccc(N[C@@H](CC)c2ccc(C)cc2O)cc1 ZINC000280193799 334114843 /nfs/dbraw/zinc/11/48/43/334114843.db2.gz SMFIYZKINAYWMC-KRWDZBQOSA-N 0 0 312.413 4.612 20 10 DJCDRN Cc1ccc([C@H](C)Nc2ccc(C)c(-c3ncco3)c2)c(O)c1 ZINC000186478986 337256468 /nfs/dbraw/zinc/25/64/68/337256468.db2.gz DWLPSIPRBREFNS-AWEZNQCLSA-N 0 0 308.381 4.837 20 10 DJCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(C)c(-c3ncco3)c2)c1 ZINC000186478767 337256551 /nfs/dbraw/zinc/25/65/51/337256551.db2.gz BMKSWIVRAWPCFL-AWEZNQCLSA-N 0 0 308.381 4.837 20 10 DJCDRN Cc1ccc([C@@H](C)Nc2cccc(C3CCOCC3)c2)c(O)c1 ZINC000527995197 337778675 /nfs/dbraw/zinc/77/86/75/337778675.db2.gz MQKTVJUCFSRNCY-OAHLLOKOSA-N 0 0 311.425 4.768 20 10 DJCDRN C[C@H](Nc1cccc(C2CCOCC2)c1)c1ccc(F)cc1O ZINC000527997544 337778874 /nfs/dbraw/zinc/77/88/74/337778874.db2.gz XTOUFDQAPCJMRX-ZDUSSCGKSA-N 0 0 315.388 4.598 20 10 DJCDRN C[C@@H](Nc1cccc(C2CCOCC2)c1)c1cc(F)ccc1O ZINC000527997153 337778879 /nfs/dbraw/zinc/77/88/79/337778879.db2.gz VZENBDQKUHZFAJ-CYBMUJFWSA-N 0 0 315.388 4.598 20 10 DJCDRN CC[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(F)cc1[O-] ZINC000286217707 535806371 /nfs/dbraw/zinc/80/63/71/535806371.db2.gz SGXCLKKCQJXCBS-CYBMUJFWSA-N 0 0 322.449 4.526 20 10 DJCDRN Cc1cc(N[C@H](C)c2ccccc2O)ccc1Br ZINC000019908102 182162890 /nfs/dbraw/zinc/16/28/90/182162890.db2.gz AAAXTMXWOSHWDY-LLVKDONJSA-N 0 0 306.203 4.636 20 10 DJCDRN Cc1ccc([C@@H](C)Nc2cccc(NC(=O)C3CC3)c2)c(O)c1C ZINC000273501000 130129101 /nfs/dbraw/zinc/12/91/01/130129101.db2.gz QDJYBWMQRKLEQC-CQSZACIVSA-N 0 0 324.424 4.531 20 10 DJCDRN CC[C@@H](Nc1cccc(NC(=O)C(C)C)c1)c1ccccc1O ZINC000192801254 336264634 /nfs/dbraw/zinc/26/46/34/336264634.db2.gz PHBOWPJSQYNYBE-QGZVFWFLSA-N 0 0 312.413 4.550 20 10 DJCDRN CCc1nc([C@H](C)N[C@H](C)c2ccc(N(C)CC)cc2)cs1 ZINC000162305208 522454501 /nfs/dbraw/zinc/45/45/01/522454501.db2.gz UPVPUQJFBXXODV-KGLIPLIRSA-N 0 0 317.502 4.573 20 10 DJCDRN C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000191203360 525629689 /nfs/dbraw/zinc/62/96/89/525629689.db2.gz POXGXPHMNUUTOD-HZMBPMFUSA-N 0 0 321.392 4.558 20 10 DJCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000158088546 526329440 /nfs/dbraw/zinc/32/94/40/526329440.db2.gz BQTPFLMBFIWRRO-AWEZNQCLSA-N 0 0 323.820 4.511 20 10 DJCDRN Cc1ccc([C@H](C)Nc2ccc(Br)cc2)c(O)c1 ZINC000020090314 182186119 /nfs/dbraw/zinc/18/61/19/182186119.db2.gz UGDSGMHLQHBQTI-NSHDSACASA-N 0 0 306.203 4.636 20 10 DJCDRN CC[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1cccc(Cl)c1[O-] ZINC000287552429 131286793 /nfs/dbraw/zinc/28/67/93/131286793.db2.gz FSDJJMMIQRTMAS-ZDUSSCGKSA-N 0 0 322.861 4.620 20 10 DJCDRN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(N(C)CC)cc2)cs1 ZINC000162304843 522421881 /nfs/dbraw/zinc/42/18/81/522421881.db2.gz UPVPUQJFBXXODV-UONOGXRCSA-N 0 0 317.502 4.573 20 10 DJCDRN CCc1nc([C@H](C)N[C@@H](C)c2ccc(N(C)CC)cc2)cs1 ZINC000162304940 522455266 /nfs/dbraw/zinc/45/52/66/522455266.db2.gz UPVPUQJFBXXODV-KBPBESRZSA-N 0 0 317.502 4.573 20 10 DJCDRN Cc1cc(Br)ccc1N[C@@H](C)c1ccccc1O ZINC000019905595 182162386 /nfs/dbraw/zinc/16/23/86/182162386.db2.gz JURGDUIOSVRCCU-NSHDSACASA-N 0 0 306.203 4.636 20 10 DJCDRN Cc1cc(Br)ccc1N[C@H](C)c1ccccc1O ZINC000019905594 182162623 /nfs/dbraw/zinc/16/26/23/182162623.db2.gz JURGDUIOSVRCCU-LLVKDONJSA-N 0 0 306.203 4.636 20 10 DJCDRN CC(C)c1cccc(C(C)C)c1NC(=O)Cc1ccc(N)cc1 ZINC000020185844 182195125 /nfs/dbraw/zinc/19/51/25/182195125.db2.gz OOKWEXQZGCLOKO-UHFFFAOYSA-N 0 0 310.441 4.697 20 10 DJCDRN CCC(CC)c1cc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])on1 ZINC000286071467 131217860 /nfs/dbraw/zinc/21/78/60/131217860.db2.gz LXQANAVKIDQASS-MRXNPFEDSA-N 0 0 320.408 4.664 20 10 DJCDRN CCC(CC)c1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])on1 ZINC000286071465 131218262 /nfs/dbraw/zinc/21/82/62/131218262.db2.gz LXQANAVKIDQASS-INIZCTEOSA-N 0 0 320.408 4.664 20 10 DJCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)c1cccc(Cl)c1[O-] ZINC000287637195 131292657 /nfs/dbraw/zinc/29/26/57/131292657.db2.gz KSSQSLMPOFKHEW-JKSUJKDBSA-N 0 0 304.821 4.633 20 10 DJCDRN CCc1nc([C@@H](C)[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])cs1 ZINC000287780385 131299628 /nfs/dbraw/zinc/29/96/28/131299628.db2.gz SCYQRAZYOILROX-MFKMUULPSA-N 0 0 324.877 4.866 20 10 DJCDRN CCN(C)c1ccc([C@@H](C)NCc2nc(C(C)C)cs2)cc1 ZINC000128559365 332500053 /nfs/dbraw/zinc/50/00/53/332500053.db2.gz CGCAHHKIQKQEPI-CQSZACIVSA-N 0 0 317.502 4.573 20 10 DJCDRN CC[C@@H]([NH2+][C@@H](c1ncccc1C)C(C)C)c1ccc(F)cc1[O-] ZINC000286202856 334151751 /nfs/dbraw/zinc/15/17/51/334151751.db2.gz RTKOWXLPJZWLDG-SJLPKXTDSA-N 0 0 316.420 4.673 20 10 DJCDRN CC(C)(C)c1cnc(Sc2ncnc3sccc32)s1 ZINC000301644269 336320339 /nfs/dbraw/zinc/32/03/39/336320339.db2.gz NGFBFTFCBIXNSJ-UHFFFAOYSA-N 0 0 307.469 4.597 20 10 DJCDRN Cc1ccc(O)c([C@H](C)N[C@H](c2nccs2)c2ccccc2)c1 ZINC000185234900 337203654 /nfs/dbraw/zinc/20/36/54/337203654.db2.gz RRIZISPJOIKGKC-KSSFIOAISA-N 0 0 324.449 4.597 20 10 DJCDRN Cc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1-c1ncco1 ZINC000186478811 337256556 /nfs/dbraw/zinc/25/65/56/337256556.db2.gz FMJCCYHFTSUONL-GFCCVEGCSA-N 0 0 312.344 4.668 20 10 DJCDRN Cc1ccc([C@H](C)Nc2cccc(C3CCOCC3)c2)c(O)c1 ZINC000527995195 337778714 /nfs/dbraw/zinc/77/87/14/337778714.db2.gz MQKTVJUCFSRNCY-HNNXBMFYSA-N 0 0 311.425 4.768 20 10 DJCDRN CC(C)CC(=O)Nc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000183648641 519607196 /nfs/dbraw/zinc/60/71/96/519607196.db2.gz IIPGTHDLPVTRGV-CQSZACIVSA-N 0 0 312.413 4.550 20 10 DJCDRN CC(C)OCCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186530235 519761318 /nfs/dbraw/zinc/76/13/18/519761318.db2.gz SFVXZJJSFSYZMV-LLVKDONJSA-N 0 0 320.260 4.555 20 10 DJCDRN CSc1ccc([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000158094786 526074257 /nfs/dbraw/zinc/07/42/57/526074257.db2.gz ZVOBBKUCPCZOCB-NSHDSACASA-N 0 0 307.846 4.618 20 10 DJCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1Cl ZINC000020545080 182229326 /nfs/dbraw/zinc/22/93/26/182229326.db2.gz SOQZKYAFFJNXDJ-UHFFFAOYSA-N 0 0 316.615 4.642 20 10 DJCDRN CC[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccc(C)cc1O ZINC000279923544 130770845 /nfs/dbraw/zinc/77/08/45/130770845.db2.gz AGTZYZDMHZLRHT-GOSISDBHSA-N 0 0 324.424 4.612 20 10 DJCDRN CC[C@@H]([NH2+]Cc1ccco1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287092039 131264115 /nfs/dbraw/zinc/26/41/15/131264115.db2.gz WEYJFYJWSVUDLZ-CYBMUJFWSA-N 0 0 300.185 4.533 20 10 DJCDRN CC[C@H]([NH2+]C1CC(F)(F)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287275569 131272944 /nfs/dbraw/zinc/27/29/44/131272944.db2.gz BEDWRMAALPTAKR-NSHDSACASA-N 0 0 310.171 4.537 20 10 DJCDRN CCc1nc([C@H](C)[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])cs1 ZINC000287780378 131299902 /nfs/dbraw/zinc/29/99/02/131299902.db2.gz SCYQRAZYOILROX-GWCFXTLKSA-N 0 0 324.877 4.866 20 10 DJCDRN CC[C@H](Nc1cccc(NC(=O)C(C)C)c1)c1ccccc1O ZINC000192801239 336264619 /nfs/dbraw/zinc/26/46/19/336264619.db2.gz PHBOWPJSQYNYBE-KRWDZBQOSA-N 0 0 312.413 4.550 20 10 DJCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(C)c(-c3ncco3)c2)c1 ZINC000186478896 337256568 /nfs/dbraw/zinc/25/65/68/337256568.db2.gz KOPYLOILCUTSJL-CYBMUJFWSA-N 0 0 324.380 4.537 20 10 DJCDRN Cc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1-c1ncco1 ZINC000186479046 337256571 /nfs/dbraw/zinc/25/65/71/337256571.db2.gz YWNGJKRQZYRWCE-LBPRGKRZSA-N 0 0 312.344 4.668 20 10 DJCDRN Cc1ccc(O)c([C@@H](C)Nc2cccc(C3CCOCC3)c2)c1 ZINC000527997698 337778896 /nfs/dbraw/zinc/77/88/96/337778896.db2.gz ZRLYECRLENLPED-OAHLLOKOSA-N 0 0 311.425 4.768 20 10 DJCDRN Cc1c2ccccc2n(C)c1CNCc1c(F)cccc1Cl ZINC000475196410 339440819 /nfs/dbraw/zinc/44/08/19/339440819.db2.gz QDJVDTCQEQPBJY-UHFFFAOYSA-N 0 0 316.807 4.569 20 10 DJCDRN Cc1ccc([C@H](C)Nc2cccc(Br)c2)c(O)c1 ZINC000020090396 182185845 /nfs/dbraw/zinc/18/58/45/182185845.db2.gz OJMYWOMMXVWNBS-NSHDSACASA-N 0 0 306.203 4.636 20 10 DJCDRN CC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(F)cc1[O-] ZINC000286217714 131225068 /nfs/dbraw/zinc/22/50/68/131225068.db2.gz SGXCLKKCQJXCBS-ZDUSSCGKSA-N 0 0 322.449 4.526 20 10 DJCDRN CC[C@@H]([NH2+]Cc1ccoc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287809292 131301657 /nfs/dbraw/zinc/30/16/57/131301657.db2.gz UOVPPWSAURAEKO-CYBMUJFWSA-N 0 0 300.185 4.533 20 10 DJCDRN COc1ccc(O)c([C@H](C)Nc2ccc(C)c(-c3ncco3)c2)c1 ZINC000186478878 337256578 /nfs/dbraw/zinc/25/65/78/337256578.db2.gz KOPYLOILCUTSJL-ZDUSSCGKSA-N 0 0 324.380 4.537 20 10 DJCDRN CC[C@@H](Nc1ccc(C)c(-c2ncco2)c1)c1ccccc1O ZINC000157815494 522956751 /nfs/dbraw/zinc/95/67/51/522956751.db2.gz DJLNTMOGNUHRQG-QGZVFWFLSA-N 0 0 308.381 4.919 20 10 DJCDRN CC[C@H](Nc1cccc(Br)c1)c1ccccc1O ZINC000019941844 182168165 /nfs/dbraw/zinc/16/81/65/182168165.db2.gz HPXZOMWGLNYEES-AWEZNQCLSA-N 0 0 306.203 4.718 20 10 DJCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1C ZINC000282414370 130920113 /nfs/dbraw/zinc/92/01/13/130920113.db2.gz BAQLUBZLEVPVDC-UHFFFAOYSA-N 0 0 312.413 4.535 20 10 DJCDRN CC[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287275566 131272904 /nfs/dbraw/zinc/27/29/04/131272904.db2.gz BEDWRMAALPTAKR-LLVKDONJSA-N 0 0 310.171 4.537 20 10 DJCDRN Cc1ccc(O)c([C@H](C)N[C@@H](c2nccs2)c2ccccc2)c1 ZINC000185234938 337203619 /nfs/dbraw/zinc/20/36/19/337203619.db2.gz RRIZISPJOIKGKC-KBXCAEBGSA-N 0 0 324.449 4.597 20 10 DJCDRN Cc1ccc2c(C3=CCN(c4ccc(Cl)cn4)CC3)c[nH]c2c1 ZINC000463057535 339103514 /nfs/dbraw/zinc/10/35/14/339103514.db2.gz PWAXLLZQQGYAII-UHFFFAOYSA-N 0 0 323.827 4.818 20 10 DJCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccsc1Cl ZINC000189363651 521688666 /nfs/dbraw/zinc/68/86/66/521688666.db2.gz PBYNHBNHUJSVSS-UHFFFAOYSA-N 0 0 324.833 4.551 20 10 DJCDRN CC[C@H](Nc1ccc(C)c(-c2ncco2)c1)c1ccccc1O ZINC000157815346 522768210 /nfs/dbraw/zinc/76/82/10/522768210.db2.gz DJLNTMOGNUHRQG-KRWDZBQOSA-N 0 0 308.381 4.919 20 10 DJCDRN CSc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000158094921 526059594 /nfs/dbraw/zinc/05/95/94/526059594.db2.gz ZVOBBKUCPCZOCB-LLVKDONJSA-N 0 0 307.846 4.618 20 10 DJCDRN Cc1ccc([C@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)c(O)c1C ZINC000273582531 130139905 /nfs/dbraw/zinc/13/99/05/130139905.db2.gz NBDFVEJTVQWPAJ-HNNXBMFYSA-N 0 0 322.408 4.515 20 10 DJCDRN C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1cc(Cl)ccc1O ZINC000185357262 333207628 /nfs/dbraw/zinc/20/76/28/333207628.db2.gz NNWMSZZSGKWVMK-JTQLQIEISA-N 0 0 311.759 4.834 20 10 DJCDRN CC[C@H]([NH2+][C@@H](c1ncccc1C)C(C)C)c1ccc(F)cc1[O-] ZINC000286202851 334151778 /nfs/dbraw/zinc/15/17/78/334151778.db2.gz RTKOWXLPJZWLDG-FUHWJXTLSA-N 0 0 316.420 4.673 20 10 DJCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000158088394 526330088 /nfs/dbraw/zinc/33/00/88/526330088.db2.gz BQTPFLMBFIWRRO-CQSZACIVSA-N 0 0 323.820 4.511 20 10 DJCDRN CC[C@H](Nc1ccc(Br)cc1)c1ccccc1O ZINC000019923209 182165154 /nfs/dbraw/zinc/16/51/54/182165154.db2.gz JWIVJBKARKZIBC-AWEZNQCLSA-N 0 0 306.203 4.718 20 10 DJCDRN CC[C@@H](Nc1ccc(Br)cc1)c1ccccc1O ZINC000019923207 182165172 /nfs/dbraw/zinc/16/51/72/182165172.db2.gz JWIVJBKARKZIBC-CQSZACIVSA-N 0 0 306.203 4.718 20 10 DJCDRN Cc1ccc([C@H](C)Nc2cccc(NC(=O)C3CC3)c2)c(O)c1C ZINC000273500997 130129487 /nfs/dbraw/zinc/12/94/87/130129487.db2.gz QDJYBWMQRKLEQC-AWEZNQCLSA-N 0 0 324.424 4.531 20 10 DJCDRN C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000170789271 332636513 /nfs/dbraw/zinc/63/65/13/332636513.db2.gz KXPHTXDUVNGMIY-DJJJIMSYSA-N 0 0 311.356 4.565 20 10 DJCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCCCC1 ZINC000019982335 182172980 /nfs/dbraw/zinc/17/29/80/182172980.db2.gz PUQGAAZUHJSOOJ-UHFFFAOYSA-N 0 0 302.245 4.902 20 10 DJCDRN CC[C@@H]([NH2+][C@H](c1ncccc1C)C(C)C)c1ccc(F)cc1[O-] ZINC000286202844 334151693 /nfs/dbraw/zinc/15/16/93/334151693.db2.gz RTKOWXLPJZWLDG-AEFFLSMTSA-N 0 0 316.420 4.673 20 10 DJCDRN CC[C@H]([NH2+][C@H](c1ncccc1C)C(C)C)c1ccc(F)cc1[O-] ZINC000286202862 334151815 /nfs/dbraw/zinc/15/18/15/334151815.db2.gz RTKOWXLPJZWLDG-WMZOPIPTSA-N 0 0 316.420 4.673 20 10 DJCDRN CC[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(F)cc1[O-] ZINC000527970688 337781438 /nfs/dbraw/zinc/78/14/38/337781438.db2.gz WZHCIVFTXGXCQK-APWZRJJASA-N 0 0 314.404 4.508 20 10 DJCDRN CCOc1cccc(CNc2cccc(C(C)(F)F)c2)c1O ZINC000189550859 521378290 /nfs/dbraw/zinc/37/82/90/521378290.db2.gz HFLVMDKZXWSHFN-UHFFFAOYSA-N 0 0 307.340 4.515 20 10 DJCDRN CCc1nc([C@@H](C)N[C@H](C)c2ccc(N(C)CC)cc2)cs1 ZINC000162305061 522422362 /nfs/dbraw/zinc/42/23/62/522422362.db2.gz UPVPUQJFBXXODV-ZIAGYGMSSA-N 0 0 317.502 4.573 20 10 DJCDRN COc1ccc(O)c([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000192744427 524775119 /nfs/dbraw/zinc/77/51/19/524775119.db2.gz BNIWFYNDKHVDAU-NSHDSACASA-N 0 0 324.380 4.593 20 10 DJCDRN C[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1ccc(F)c(F)c1[O-] ZINC000191203376 525690453 /nfs/dbraw/zinc/69/04/53/525690453.db2.gz POXGXPHMNUUTOD-YGRLFVJLSA-N 0 0 321.392 4.558 20 10 DJCDRN