smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000019992391 259386593 /nfs/dbraw/zinc/38/65/93/259386593.db2.gz SRLWUQZHZVQMEU-ZDUSSCGKSA-N 1 0 241.378 4.679 20 0 BJADRO CCC(CC)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000019992394 259387008 /nfs/dbraw/zinc/38/70/08/259387008.db2.gz SRLWUQZHZVQMEU-CYBMUJFWSA-N 1 0 241.378 4.679 20 0 BJADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1cccs1 ZINC000020085330 259388229 /nfs/dbraw/zinc/38/82/29/259388229.db2.gz NVZSQEQEVFTLDJ-GXTWGEPZSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)c1cccs1 ZINC000020085331 259388351 /nfs/dbraw/zinc/38/83/51/259388351.db2.gz NVZSQEQEVFTLDJ-JSGCOSHPSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1)c1cccs1 ZINC000020085332 259388365 /nfs/dbraw/zinc/38/83/65/259388365.db2.gz NVZSQEQEVFTLDJ-TZMCWYRMSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@H]([NH2+][C@H](C)c1ccccc1)c1cccs1 ZINC000020085333 259387997 /nfs/dbraw/zinc/38/79/97/259387997.db2.gz NVZSQEQEVFTLDJ-OCCSQVGLSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1 ZINC000020148247 170908174 /nfs/dbraw/zinc/90/81/74/170908174.db2.gz GQDZKXLYJUZTIQ-GXTWGEPZSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1 ZINC000020148248 342972184 /nfs/dbraw/zinc/97/21/84/342972184.db2.gz GQDZKXLYJUZTIQ-JSGCOSHPSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@@H]([NH2+][C@H](C)c1cccs1)c1ccccc1 ZINC000020148249 342972162 /nfs/dbraw/zinc/97/21/62/342972162.db2.gz GQDZKXLYJUZTIQ-TZMCWYRMSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@H]([NH2+][C@H](C)c1cccs1)c1ccccc1 ZINC000020148250 342972068 /nfs/dbraw/zinc/97/20/68/342972068.db2.gz GQDZKXLYJUZTIQ-OCCSQVGLSA-N 1 0 245.391 4.550 20 0 BJADRO CCC(CC)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000021008170 168391609 /nfs/dbraw/zinc/39/16/09/168391609.db2.gz SBHHKYFRHWWURN-ZDUSSCGKSA-N 1 0 241.378 4.679 20 0 BJADRO CCC(CC)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000021008172 168393033 /nfs/dbraw/zinc/39/30/33/168393033.db2.gz SBHHKYFRHWWURN-CYBMUJFWSA-N 1 0 241.378 4.679 20 0 BJADRO CCC(CC)[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000021805466 259309671 /nfs/dbraw/zinc/30/96/71/259309671.db2.gz AGGFDIZRXSOXJR-AWEZNQCLSA-N 1 0 239.790 4.569 20 0 BJADRO CCC(CC)[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000021805468 323100971 /nfs/dbraw/zinc/10/09/71/323100971.db2.gz AGGFDIZRXSOXJR-CQSZACIVSA-N 1 0 239.790 4.569 20 0 BJADRO CCC(CC)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000035011423 262808627 /nfs/dbraw/zinc/80/86/27/262808627.db2.gz DGOYEPOXEDHLSD-LBPRGKRZSA-N 1 0 245.366 4.520 20 0 BJADRO CCC(CC)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000035011425 262808718 /nfs/dbraw/zinc/80/87/18/262808718.db2.gz DGOYEPOXEDHLSD-GFCCVEGCSA-N 1 0 245.366 4.520 20 0 BJADRO CC(C)(C)CC(C)(C)[NH2+]C/C=C\c1ccccc1 ZINC000035539867 387577457 /nfs/dbraw/zinc/57/74/57/387577457.db2.gz BJOKBYLANOCGBY-XFXZXTDPSA-N 1 0 245.410 4.504 20 0 BJADRO c1csc([C@H]([NH2+]C2CCCCCC2)C2CC2)c1 ZINC000049956840 384686705 /nfs/dbraw/zinc/68/67/05/384686705.db2.gz DCVOEMFIKKBSDL-OAHLLOKOSA-N 1 0 249.423 4.512 20 0 BJADRO c1csc([C@@H]([NH2+]C2CCCCCC2)C2CC2)c1 ZINC000049956841 183521559 /nfs/dbraw/zinc/52/15/59/183521559.db2.gz DCVOEMFIKKBSDL-HNNXBMFYSA-N 1 0 249.423 4.512 20 0 BJADRO CC[C@H]([NH2+][C@@H](C)c1ccsc1)c1ccccc1 ZINC000051626462 384675233 /nfs/dbraw/zinc/67/52/33/384675233.db2.gz AMYYHSYXVFINCH-WFASDCNBSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccccc1 ZINC000051626464 343627532 /nfs/dbraw/zinc/62/75/32/343627532.db2.gz AMYYHSYXVFINCH-SWLSCSKDSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@H]([NH2+][C@H](C)c1ccsc1)c1ccccc1 ZINC000051626466 384675215 /nfs/dbraw/zinc/67/52/15/384675215.db2.gz AMYYHSYXVFINCH-DOMZBBRYSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@@H]([NH2+][C@H](C)c1ccsc1)c1ccccc1 ZINC000051626467 343627329 /nfs/dbraw/zinc/62/73/29/343627329.db2.gz AMYYHSYXVFINCH-IUODEOHRSA-N 1 0 245.391 4.550 20 0 BJADRO CCC[C@@H](CC)[NH2+]Cc1csc2ccccc12 ZINC000054463691 322856155 /nfs/dbraw/zinc/85/61/55/322856155.db2.gz JKDRQJRTQHYFTR-CYBMUJFWSA-N 1 0 247.407 4.570 20 0 BJADRO CCC[C@H](CC)[NH2+]Cc1csc2ccccc12 ZINC000054463694 384734029 /nfs/dbraw/zinc/73/40/29/384734029.db2.gz JKDRQJRTQHYFTR-ZDUSSCGKSA-N 1 0 247.407 4.570 20 0 BJADRO C[C@H]([NH2+]CCC(C)(C)C)c1cc2ccccc2o1 ZINC000059382795 343045678 /nfs/dbraw/zinc/04/56/78/343045678.db2.gz WQKBCIRRLBGPSY-LBPRGKRZSA-N 1 0 245.366 4.520 20 0 BJADRO C[C@@H]([NH2+]CCC(C)(C)C)c1cc2ccccc2o1 ZINC000059382796 343045629 /nfs/dbraw/zinc/04/56/29/343045629.db2.gz WQKBCIRRLBGPSY-GFCCVEGCSA-N 1 0 245.366 4.520 20 0 BJADRO CCC[NH+](CCC)[C@H](C)c1cc2ccccc2o1 ZINC000064940670 368615883 /nfs/dbraw/zinc/61/58/83/368615883.db2.gz GRDQCDGUAKSGKD-CYBMUJFWSA-N 1 0 245.366 4.616 20 0 BJADRO Cc1cccc(C[NH2+]C2CCCCCCC2)c1C ZINC000070136840 179089707 /nfs/dbraw/zinc/08/97/07/179089707.db2.gz JDNFCWRUIYVFCH-UHFFFAOYSA-N 1 0 245.410 4.506 20 0 BJADRO CCCC(C)(C)[NH2+]Cc1csc2ccccc12 ZINC000134312314 323197788 /nfs/dbraw/zinc/19/77/88/323197788.db2.gz PDJVOZBHSWCWAG-UHFFFAOYSA-N 1 0 247.407 4.570 20 0 BJADRO CCCC(C)(C)[NH2+]Cc1ccc2ccccc2c1 ZINC000134316642 325353733 /nfs/dbraw/zinc/35/37/33/325353733.db2.gz VDEKGQSPMSSJBE-UHFFFAOYSA-N 1 0 241.378 4.508 20 0 BJADRO CCC(C)(CC)[NH2+]Cc1csc2ccccc12 ZINC000227217997 259628986 /nfs/dbraw/zinc/62/89/86/259628986.db2.gz YRIQQHFWEDQQJU-UHFFFAOYSA-N 1 0 247.407 4.570 20 0 BJADRO CCC(C)(CC)[NH2+]Cc1ccc2ccccc2c1 ZINC000227218168 322810800 /nfs/dbraw/zinc/81/08/00/322810800.db2.gz HPEWGRNJRWHKPP-UHFFFAOYSA-N 1 0 241.378 4.508 20 0 BJADRO CC[C@H]([NH2+][C@H](C)c1ccccc1)c1ccsc1 ZINC000294482499 384880054 /nfs/dbraw/zinc/88/00/54/384880054.db2.gz XEGZRKKDLZLAFV-DOMZBBRYSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccsc1 ZINC000294482502 346034945 /nfs/dbraw/zinc/03/49/45/346034945.db2.gz XEGZRKKDLZLAFV-IUODEOHRSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccsc1 ZINC000294482508 346034828 /nfs/dbraw/zinc/03/48/28/346034828.db2.gz XEGZRKKDLZLAFV-SWLSCSKDSA-N 1 0 245.391 4.550 20 0 BJADRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccsc1 ZINC000294482513 384880718 /nfs/dbraw/zinc/88/07/18/384880718.db2.gz XEGZRKKDLZLAFV-WFASDCNBSA-N 1 0 245.391 4.550 20 0 BJADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000381203931 367365086 /nfs/dbraw/zinc/36/50/86/367365086.db2.gz FUZUYGHWUUCFNC-CHWSQXEVSA-N 1 0 237.412 4.534 20 0 BJADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000381203932 367365059 /nfs/dbraw/zinc/36/50/59/367365059.db2.gz FUZUYGHWUUCFNC-OLZOCXBDSA-N 1 0 237.412 4.534 20 0 BJADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000381203933 367364522 /nfs/dbraw/zinc/36/45/22/367364522.db2.gz FUZUYGHWUUCFNC-QWHCGFSZSA-N 1 0 237.412 4.534 20 0 BJADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000381203934 344188969 /nfs/dbraw/zinc/18/89/69/344188969.db2.gz FUZUYGHWUUCFNC-STQMWFEESA-N 1 0 237.412 4.534 20 0 BJADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000381237884 344237394 /nfs/dbraw/zinc/23/73/94/344237394.db2.gz MHQSJLBIQJSTLH-CHWSQXEVSA-N 1 0 237.412 4.534 20 0 BJADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000381237886 344237097 /nfs/dbraw/zinc/23/70/97/344237097.db2.gz MHQSJLBIQJSTLH-OLZOCXBDSA-N 1 0 237.412 4.534 20 0 BJADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000381237887 344237608 /nfs/dbraw/zinc/23/76/08/344237608.db2.gz MHQSJLBIQJSTLH-QWHCGFSZSA-N 1 0 237.412 4.534 20 0 BJADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000381237889 344237237 /nfs/dbraw/zinc/23/72/37/344237237.db2.gz MHQSJLBIQJSTLH-STQMWFEESA-N 1 0 237.412 4.534 20 0 BJADRO Cc1cc([C@@H](C)[NH2+]CCC2=CCCCC2)cs1 ZINC000381415685 367397444 /nfs/dbraw/zinc/39/74/44/367397444.db2.gz ZDBWHONNDYFSJC-CYBMUJFWSA-N 1 0 249.423 4.598 20 0 BJADRO Cc1cc([C@H](C)[NH2+]CCC2=CCCCC2)cs1 ZINC000381415686 367397902 /nfs/dbraw/zinc/39/79/02/367397902.db2.gz ZDBWHONNDYFSJC-ZDUSSCGKSA-N 1 0 249.423 4.598 20 0 BJADRO Cc1cc([C@H](C)[NH2+][C@@H](C)CCC(C)C)cs1 ZINC000381561250 367431380 /nfs/dbraw/zinc/43/13/80/367431380.db2.gz HYFLNPPECGGOIK-AAEUAGOBSA-N 1 0 239.428 4.532 20 0 BJADRO Cc1cc([C@@H](C)[NH2+][C@H](C)CCC(C)C)cs1 ZINC000381561251 367431240 /nfs/dbraw/zinc/43/12/40/367431240.db2.gz HYFLNPPECGGOIK-DGCLKSJQSA-N 1 0 239.428 4.532 20 0 BJADRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)cs1 ZINC000381561252 367430762 /nfs/dbraw/zinc/43/07/62/367430762.db2.gz HYFLNPPECGGOIK-WCQYABFASA-N 1 0 239.428 4.532 20 0 BJADRO Cc1cc([C@H](C)[NH2+][C@H](C)CCC(C)C)cs1 ZINC000381561253 346353478 /nfs/dbraw/zinc/35/34/78/346353478.db2.gz HYFLNPPECGGOIK-YPMHNXCESA-N 1 0 239.428 4.532 20 0 BJADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000381562080 367430774 /nfs/dbraw/zinc/43/07/74/367430774.db2.gz IBYXUUCIRHTBLO-DMDPSCGWSA-N 1 0 239.428 4.532 20 0 BJADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000381562085 346354680 /nfs/dbraw/zinc/35/46/80/346354680.db2.gz IBYXUUCIRHTBLO-GMXVVIOVSA-N 1 0 239.428 4.532 20 0 BJADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000381562088 346355070 /nfs/dbraw/zinc/35/50/70/346355070.db2.gz IBYXUUCIRHTBLO-GVXVVHGQSA-N 1 0 239.428 4.532 20 0 BJADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000381562089 346355090 /nfs/dbraw/zinc/35/50/90/346355090.db2.gz IBYXUUCIRHTBLO-LOWVWBTDSA-N 1 0 239.428 4.532 20 0 BJADRO CCCCC[C@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000381628467 710664126 /nfs/dbraw/zinc/66/41/26/710664126.db2.gz UVRWGGGNYRICPT-AAEUAGOBSA-N 1 0 239.428 4.676 20 0 BJADRO CCCCC[C@@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000381628468 710663719 /nfs/dbraw/zinc/66/37/19/710663719.db2.gz UVRWGGGNYRICPT-DGCLKSJQSA-N 1 0 239.428 4.676 20 0 BJADRO CCCCC[C@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000381628469 710663724 /nfs/dbraw/zinc/66/37/24/710663724.db2.gz UVRWGGGNYRICPT-WCQYABFASA-N 1 0 239.428 4.676 20 0 BJADRO CCCCC[C@@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000381628470 710663740 /nfs/dbraw/zinc/66/37/40/710663740.db2.gz UVRWGGGNYRICPT-YPMHNXCESA-N 1 0 239.428 4.676 20 0 BJADRO CCCCC[C@H](C)[NH2+][C@H](CC)c1ccsc1 ZINC000382058174 710769230 /nfs/dbraw/zinc/76/92/30/710769230.db2.gz AEYYLFLLUVVHAP-GXTWGEPZSA-N 1 0 239.428 4.758 20 0 BJADRO CCCCC[C@H](C)[NH2+][C@@H](CC)c1ccsc1 ZINC000382058192 710770123 /nfs/dbraw/zinc/77/01/23/710770123.db2.gz AEYYLFLLUVVHAP-JSGCOSHPSA-N 1 0 239.428 4.758 20 0 BJADRO CCCCC[C@@H](C)[NH2+][C@@H](CC)c1ccsc1 ZINC000382058194 710769823 /nfs/dbraw/zinc/76/98/23/710769823.db2.gz AEYYLFLLUVVHAP-OCCSQVGLSA-N 1 0 239.428 4.758 20 0 BJADRO CCCCC[C@@H](C)[NH2+][C@H](CC)c1ccsc1 ZINC000382058196 710769208 /nfs/dbraw/zinc/76/92/08/710769208.db2.gz AEYYLFLLUVVHAP-TZMCWYRMSA-N 1 0 239.428 4.758 20 0 BJADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](CC)c1ccsc1 ZINC000382059186 367482884 /nfs/dbraw/zinc/48/28/84/367482884.db2.gz AJRUKNSJOMZBOR-OBJOEFQTSA-N 1 0 239.428 4.614 20 0 BJADRO CC[C@@H]([NH2+][C@H](C)C[C@@H](C)CC)c1ccsc1 ZINC000382059187 367482898 /nfs/dbraw/zinc/48/28/98/367482898.db2.gz AJRUKNSJOMZBOR-OUCADQQQSA-N 1 0 239.428 4.614 20 0 BJADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](CC)c1ccsc1 ZINC000382059188 367482615 /nfs/dbraw/zinc/48/26/15/367482615.db2.gz AJRUKNSJOMZBOR-SCRDCRAPSA-N 1 0 239.428 4.614 20 0 BJADRO CC[C@@H]([NH2+][C@@H](C)C[C@@H](C)CC)c1ccsc1 ZINC000382059189 367482879 /nfs/dbraw/zinc/48/28/79/367482879.db2.gz AJRUKNSJOMZBOR-SGMGOOAPSA-N 1 0 239.428 4.614 20 0 BJADRO CC[C@H]([NH2+]C1CCCCCC1)c1ccsc1 ZINC000382104014 367485642 /nfs/dbraw/zinc/48/56/42/367485642.db2.gz JQAVIUOKOXXUAZ-AWEZNQCLSA-N 1 0 237.412 4.512 20 0 BJADRO CC[C@@H]([NH2+]C1CCCCCC1)c1ccsc1 ZINC000382104027 367485439 /nfs/dbraw/zinc/48/54/39/367485439.db2.gz JQAVIUOKOXXUAZ-CQSZACIVSA-N 1 0 237.412 4.512 20 0 BJADRO CC[C@@H]([NH2+][C@@H](C)CCC(C)C)c1ccsc1 ZINC000382115859 367488421 /nfs/dbraw/zinc/48/84/21/367488421.db2.gz LSALJHBDZBQOIG-GXTWGEPZSA-N 1 0 239.428 4.614 20 0 BJADRO CC[C@H]([NH2+][C@@H](C)CCC(C)C)c1ccsc1 ZINC000382115860 367488279 /nfs/dbraw/zinc/48/82/79/367488279.db2.gz LSALJHBDZBQOIG-JSGCOSHPSA-N 1 0 239.428 4.614 20 0 BJADRO CC[C@H]([NH2+][C@H](C)CCC(C)C)c1ccsc1 ZINC000382115862 367488571 /nfs/dbraw/zinc/48/85/71/367488571.db2.gz LSALJHBDZBQOIG-OCCSQVGLSA-N 1 0 239.428 4.614 20 0 BJADRO CC[C@@H]([NH2+][C@H](C)CCC(C)C)c1ccsc1 ZINC000382115863 367488287 /nfs/dbraw/zinc/48/82/87/367488287.db2.gz LSALJHBDZBQOIG-TZMCWYRMSA-N 1 0 239.428 4.614 20 0 BJADRO CC[C@H]([NH2+]CCC1=CCCCC1)c1ccsc1 ZINC000394283416 259349017 /nfs/dbraw/zinc/34/90/17/259349017.db2.gz GTEUKTXVYNOLBS-HNNXBMFYSA-N 1 0 249.423 4.679 20 0 BJADRO CC[C@@H]([NH2+]CCC1=CCCCC1)c1ccsc1 ZINC000394283420 259349052 /nfs/dbraw/zinc/34/90/52/259349052.db2.gz GTEUKTXVYNOLBS-OAHLLOKOSA-N 1 0 249.423 4.679 20 0 BJADRO CCC(C)(C)CC[N@H+](C)[C@H](C)c1cccs1 ZINC000441187700 387735127 /nfs/dbraw/zinc/73/51/27/387735127.db2.gz HQPQZLHECSQFST-GFCCVEGCSA-N 1 0 239.428 4.567 20 0 BJADRO CCC(C)(C)CC[N@H+](C)[C@@H](C)c1cccs1 ZINC000441187701 387736002 /nfs/dbraw/zinc/73/60/02/387736002.db2.gz HQPQZLHECSQFST-LBPRGKRZSA-N 1 0 239.428 4.567 20 0 BJADRO CC[C@H]([NH2+][C@@H]1CCC12CCCC2)c1cccs1 ZINC000474027666 529655657 /nfs/dbraw/zinc/65/56/57/529655657.db2.gz BPGRCHXWBOVZID-GXTWGEPZSA-N 1 0 249.423 4.512 20 0 BJADRO CC[C@H]([NH2+][C@H]1CCC12CCCC2)c1cccs1 ZINC000474027667 529669780 /nfs/dbraw/zinc/66/97/80/529669780.db2.gz BPGRCHXWBOVZID-JSGCOSHPSA-N 1 0 249.423 4.512 20 0 BJADRO CC[C@@H]([NH2+][C@H]1CCC12CCCC2)c1cccs1 ZINC000474027668 529206754 /nfs/dbraw/zinc/20/67/54/529206754.db2.gz BPGRCHXWBOVZID-OCCSQVGLSA-N 1 0 249.423 4.512 20 0 BJADRO CC[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1cccs1 ZINC000474027669 529202553 /nfs/dbraw/zinc/20/25/53/529202553.db2.gz BPGRCHXWBOVZID-TZMCWYRMSA-N 1 0 249.423 4.512 20 0 BJADRO CC[C@@H]([NH2+]C1CCC2(CC2)CC1)c1cccs1 ZINC000488412449 529681419 /nfs/dbraw/zinc/68/14/19/529681419.db2.gz LMOVQESMWGIKLM-CYBMUJFWSA-N 1 0 249.423 4.512 20 0 BJADRO CC[C@H]([NH2+]C1CCC2(CC2)CC1)c1cccs1 ZINC000488412451 529583898 /nfs/dbraw/zinc/58/38/98/529583898.db2.gz LMOVQESMWGIKLM-ZDUSSCGKSA-N 1 0 249.423 4.512 20 0 BJADRO CCC[NH+](CCC)[C@@H](C)c1cc2ccccc2o1 ZINC000507716170 528062190 /nfs/dbraw/zinc/06/21/90/528062190.db2.gz GRDQCDGUAKSGKD-ZDUSSCGKSA-N 1 0 245.366 4.616 20 0 BJADRO CC(C)C[C@H]([NH2+][C@H]1CC=CCC1)c1cccs1 ZINC000539072992 388747366 /nfs/dbraw/zinc/74/73/66/388747366.db2.gz MGBYGPDMAVUQQC-KBPBESRZSA-N 1 0 249.423 4.534 20 0 BJADRO CC(C)C[C@H]([NH2+][C@@H]1CC=CCC1)c1cccs1 ZINC000539073002 388746960 /nfs/dbraw/zinc/74/69/60/388746960.db2.gz MGBYGPDMAVUQQC-KGLIPLIRSA-N 1 0 249.423 4.534 20 0 BJADRO CC(C)C[C@@H]([NH2+][C@H]1CC=CCC1)c1cccs1 ZINC000539073004 324823030 /nfs/dbraw/zinc/82/30/30/324823030.db2.gz MGBYGPDMAVUQQC-UONOGXRCSA-N 1 0 249.423 4.534 20 0 BJADRO CC(C)C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccs1 ZINC000539073006 388747337 /nfs/dbraw/zinc/74/73/37/388747337.db2.gz MGBYGPDMAVUQQC-ZIAGYGMSSA-N 1 0 249.423 4.534 20 0 BJADRO Cc1cc([C@H](C)[NH2+][C@@H]2CC=C(C)CC2)c(C)s1 ZINC000551309562 325553660 /nfs/dbraw/zinc/55/36/60/325553660.db2.gz VBQTXRHROPIKMA-GXTWGEPZSA-N 1 0 249.423 4.514 20 0 BJADRO Cc1cc([C@H](C)[NH2+][C@H]2CC=C(C)CC2)c(C)s1 ZINC000551309585 388625333 /nfs/dbraw/zinc/62/53/33/388625333.db2.gz VBQTXRHROPIKMA-JSGCOSHPSA-N 1 0 249.423 4.514 20 0 BJADRO Cc1cc([C@@H](C)[NH2+][C@H]2CC=C(C)CC2)c(C)s1 ZINC000551309587 388626027 /nfs/dbraw/zinc/62/60/27/388626027.db2.gz VBQTXRHROPIKMA-OCCSQVGLSA-N 1 0 249.423 4.514 20 0 BJADRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC=C(C)CC2)c(C)s1 ZINC000551309588 388626013 /nfs/dbraw/zinc/62/60/13/388626013.db2.gz VBQTXRHROPIKMA-TZMCWYRMSA-N 1 0 249.423 4.514 20 0 BJADRO CCCCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000605149759 350258690 /nfs/dbraw/zinc/25/86/90/350258690.db2.gz KPYXZDFQRKYHBS-CYBMUJFWSA-N 1 0 245.366 4.616 20 0 BJADRO CCCCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000605149760 350258170 /nfs/dbraw/zinc/25/81/70/350258170.db2.gz KPYXZDFQRKYHBS-ZDUSSCGKSA-N 1 0 245.366 4.616 20 0 BJADRO CCCC[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000619888197 369625298 /nfs/dbraw/zinc/62/52/98/369625298.db2.gz BZNWFKOEODPSTJ-CYBMUJFWSA-N 1 0 245.366 4.616 20 0 BJADRO CCCC[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000619888198 369625029 /nfs/dbraw/zinc/62/50/29/369625029.db2.gz BZNWFKOEODPSTJ-ZDUSSCGKSA-N 1 0 245.366 4.616 20 0 BJADRO CCCC[C@@H](CCC)[NH2+]C1CCC(F)(F)CC1 ZINC000678609463 490242005 /nfs/dbraw/zinc/24/20/05/490242005.db2.gz OHCZAEZIPLFJAN-GFCCVEGCSA-N 1 0 247.373 4.513 20 0 BJADRO CCCC[C@H](CCC)[NH2+]C1CCC(F)(F)CC1 ZINC000678609467 490241973 /nfs/dbraw/zinc/24/19/73/490241973.db2.gz OHCZAEZIPLFJAN-LBPRGKRZSA-N 1 0 247.373 4.513 20 0 BJADRO CCCCCC[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000702565993 712055669 /nfs/dbraw/zinc/05/56/69/712055669.db2.gz QZFQUOCSQYAKOI-CHWSQXEVSA-N 1 0 247.373 4.513 20 0 BJADRO CCCCCC[C@@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000702565994 712055527 /nfs/dbraw/zinc/05/55/27/712055527.db2.gz QZFQUOCSQYAKOI-OLZOCXBDSA-N 1 0 247.373 4.513 20 0 BJADRO CCCCCC[C@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000702565995 712055635 /nfs/dbraw/zinc/05/56/35/712055635.db2.gz QZFQUOCSQYAKOI-QWHCGFSZSA-N 1 0 247.373 4.513 20 0 BJADRO CCCCCC[C@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000702565996 712055928 /nfs/dbraw/zinc/05/59/28/712055928.db2.gz QZFQUOCSQYAKOI-STQMWFEESA-N 1 0 247.373 4.513 20 0 BJADRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000776723077 585703689 /nfs/dbraw/zinc/70/36/89/585703689.db2.gz IJKRFESUNYNSMJ-NEPJUHHUSA-N 1 0 247.407 4.596 20 0 BJADRO CC(C)[C@H](C)[NH2+][C@H](C)c1csc2ccccc21 ZINC000776723084 585703491 /nfs/dbraw/zinc/70/34/91/585703491.db2.gz IJKRFESUNYNSMJ-NWDGAFQWSA-N 1 0 247.407 4.596 20 0 BJADRO CC(C)[C@H](C)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000776723085 585703589 /nfs/dbraw/zinc/70/35/89/585703589.db2.gz IJKRFESUNYNSMJ-RYUDHWBXSA-N 1 0 247.407 4.596 20 0 BJADRO CC(C)[C@@H](C)[NH2+][C@H](C)c1csc2ccccc21 ZINC000776723086 585703642 /nfs/dbraw/zinc/70/36/42/585703642.db2.gz IJKRFESUNYNSMJ-VXGBXAGGSA-N 1 0 247.407 4.596 20 0 BJADRO CCC[C@@H](C)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000776723712 634320615 /nfs/dbraw/zinc/32/06/15/634320615.db2.gz TZAOQZSMAIOFMB-NEPJUHHUSA-N 1 0 247.407 4.741 20 0 BJADRO CCC[C@H](C)[NH2+][C@H](C)c1csc2ccccc12 ZINC000776723713 634318818 /nfs/dbraw/zinc/31/88/18/634318818.db2.gz TZAOQZSMAIOFMB-NWDGAFQWSA-N 1 0 247.407 4.741 20 0 BJADRO CCC[C@H](C)[NH2+][C@@H](C)c1csc2ccccc12 ZINC000776723714 634319090 /nfs/dbraw/zinc/31/90/90/634319090.db2.gz TZAOQZSMAIOFMB-RYUDHWBXSA-N 1 0 247.407 4.741 20 0 BJADRO CCC[C@@H](C)[NH2+][C@H](C)c1csc2ccccc12 ZINC000776723715 634319991 /nfs/dbraw/zinc/31/99/91/634319991.db2.gz TZAOQZSMAIOFMB-VXGBXAGGSA-N 1 0 247.407 4.741 20 0 BJADRO