smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939232 653722880 /nfs/dbraw/zinc/72/28/80/653722880.db2.gz AONTUUBUVVJWPW-SUMWQHHRSA-N 2 2 393.329 2.355 20 10 GECDLP C[N@H+](CCOCC[NH3+])Cc1cc(Br)cc(Br)c1O ZINC000863653094 653718187 /nfs/dbraw/zinc/71/81/87/653718187.db2.gz ZWMKVONBGVQJBK-UHFFFAOYSA-N 2 2 382.096 2.324 20 10 GECDLP C[N@@H+](CCOCC[NH3+])Cc1cc(Br)cc(Br)c1O ZINC000863653094 653718190 /nfs/dbraw/zinc/71/81/90/653718190.db2.gz ZWMKVONBGVQJBK-UHFFFAOYSA-N 2 2 382.096 2.324 20 10 GECDLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939226 653722893 /nfs/dbraw/zinc/72/28/93/653722893.db2.gz AONTUUBUVVJWPW-CXAGYDPISA-N 2 2 393.329 2.355 20 10 GECDLP Oc1cc(Br)ccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895686686 653845919 /nfs/dbraw/zinc/84/59/19/653845919.db2.gz VFMQUQFTRUOFKL-KRWDZBQOSA-N 2 2 398.345 2.041 20 10 GECDLP COc1cc(Br)cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000367472087 532925326 /nfs/dbraw/zinc/92/53/26/532925326.db2.gz CFCUCZYWWDXZEZ-MRXNPFEDSA-N 2 2 398.345 2.375 20 10 GECDLP COc1cc(Br)cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367472087 532925328 /nfs/dbraw/zinc/92/53/28/532925328.db2.gz CFCUCZYWWDXZEZ-MRXNPFEDSA-N 2 2 398.345 2.375 20 10 GECDLP COc1cc(Br)cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000367472086 532925430 /nfs/dbraw/zinc/92/54/30/532925430.db2.gz CFCUCZYWWDXZEZ-INIZCTEOSA-N 2 2 398.345 2.375 20 10 GECDLP COc1cc(Br)cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367472086 532925431 /nfs/dbraw/zinc/92/54/31/532925431.db2.gz CFCUCZYWWDXZEZ-INIZCTEOSA-N 2 2 398.345 2.375 20 10 GECDLP [NH3+]CC1(O)CC[NH+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000841108269 653706503 /nfs/dbraw/zinc/70/65/03/653706503.db2.gz SLYXKMGXVHEJKY-UHFFFAOYSA-N 2 2 394.107 2.203 20 10 GECDLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939231 653722909 /nfs/dbraw/zinc/72/29/09/653722909.db2.gz AONTUUBUVVJWPW-GUYCJALGSA-N 2 2 393.329 2.355 20 10 GECDLP Oc1ccc(Br)cc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000843118892 653780025 /nfs/dbraw/zinc/78/00/25/653780025.db2.gz QMXDGEQOAQBMGS-UHFFFAOYSA-N 2 2 392.301 2.229 20 10 GECDLP Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372046 653837774 /nfs/dbraw/zinc/83/77/74/653837774.db2.gz JWYXIUAXDNEXFZ-QGZVFWFLSA-N 2 2 398.345 2.041 20 10 GECDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858133165 653349314 /nfs/dbraw/zinc/34/93/14/653349314.db2.gz QAYOPNAFAWKVAE-UHFFFAOYSA-N 2 2 384.318 2.187 20 10 GECDLP COc1cc(Br)cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000843431554 653786839 /nfs/dbraw/zinc/78/68/39/653786839.db2.gz HMVVYRROXDGMDT-UHFFFAOYSA-N 2 2 385.302 2.460 20 10 GECDLP COc1cc(Br)cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000843431554 653786841 /nfs/dbraw/zinc/78/68/41/653786841.db2.gz HMVVYRROXDGMDT-UHFFFAOYSA-N 2 2 385.302 2.460 20 10 GECDLP COc1cc(Br)cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000903974254 654293861 /nfs/dbraw/zinc/29/38/61/654293861.db2.gz NHZKBFMFZXDUFT-AWEZNQCLSA-N 2 2 385.302 2.412 20 10 GECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000756547373 652500305 /nfs/dbraw/zinc/50/03/05/652500305.db2.gz BSFCKWOCIZCMMR-QWHCGFSZSA-N 2 2 384.318 2.393 20 10 GECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000756547373 652500309 /nfs/dbraw/zinc/50/03/09/652500309.db2.gz BSFCKWOCIZCMMR-QWHCGFSZSA-N 2 2 384.318 2.393 20 10 GECDLP Cn1cc(Br)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000824780215 653908157 /nfs/dbraw/zinc/90/81/57/653908157.db2.gz IVJGAMYSCKNPDH-UHFFFAOYSA-N 2 2 378.318 2.224 20 10 GECDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825185108 653920055 /nfs/dbraw/zinc/92/00/55/653920055.db2.gz JCUFFGCCZHEEOX-HNNXBMFYSA-N 2 2 384.318 2.187 20 10 GECDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825185108 653920058 /nfs/dbraw/zinc/92/00/58/653920058.db2.gz JCUFFGCCZHEEOX-HNNXBMFYSA-N 2 2 384.318 2.187 20 10 GECDLP COc1cc(Br)cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000903974255 654294096 /nfs/dbraw/zinc/29/40/96/654294096.db2.gz NHZKBFMFZXDUFT-CQSZACIVSA-N 2 2 385.302 2.412 20 10 GECDLP Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1O ZINC000275365187 646352547 /nfs/dbraw/zinc/35/25/47/646352547.db2.gz ULAMFLARGYCLFX-SWLSCSKDSA-N 2 2 384.318 2.454 20 10 GECDLP Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1O ZINC000275365187 646352553 /nfs/dbraw/zinc/35/25/53/646352553.db2.gz ULAMFLARGYCLFX-SWLSCSKDSA-N 2 2 384.318 2.454 20 10 GECDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825185109 653919939 /nfs/dbraw/zinc/91/99/39/653919939.db2.gz JCUFFGCCZHEEOX-OAHLLOKOSA-N 2 2 384.318 2.187 20 10 GECDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825185109 653919941 /nfs/dbraw/zinc/91/99/41/653919941.db2.gz JCUFFGCCZHEEOX-OAHLLOKOSA-N 2 2 384.318 2.187 20 10 GECDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1O ZINC000359960472 206274450 /nfs/dbraw/zinc/27/44/50/206274450.db2.gz PDAVGUMHZKNBID-ZBFHGGJFSA-N 2 2 398.345 2.212 20 10 GECDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858120745 653349476 /nfs/dbraw/zinc/34/94/76/653349476.db2.gz LDZOGJRRJYGGFW-OAHLLOKOSA-N 2 2 384.318 2.187 20 10 GECDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858120745 653349485 /nfs/dbraw/zinc/34/94/85/653349485.db2.gz LDZOGJRRJYGGFW-OAHLLOKOSA-N 2 2 384.318 2.187 20 10 GECDLP C[NH+]1CCC(C[NH2+]Cc2cccc(Br)c2O)(N2CCOCC2)CC1 ZINC000840955574 653703992 /nfs/dbraw/zinc/70/39/92/653703992.db2.gz UCPNENNBPRXIHK-UHFFFAOYSA-N 2 2 398.345 2.041 20 10 GECDLP Oc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841086541 653706102 /nfs/dbraw/zinc/70/61/02/653706102.db2.gz OMRRDWDKCIULQM-NSHDSACASA-N 2 2 394.107 2.385 20 10 GECDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000841099649 653706288 /nfs/dbraw/zinc/70/62/88/653706288.db2.gz MVVPILZDFWNWEW-CQSZACIVSA-N 2 2 380.290 2.350 20 10 GECDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000841099649 653706289 /nfs/dbraw/zinc/70/62/89/653706289.db2.gz MVVPILZDFWNWEW-CQSZACIVSA-N 2 2 380.290 2.350 20 10 GECDLP [NH3+]CCCOCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000863483786 653714319 /nfs/dbraw/zinc/71/43/19/653714319.db2.gz CZRCOKADVBXPOJ-UHFFFAOYSA-N 2 2 382.096 2.372 20 10 GECDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCSc1nccs1 ZINC000154688042 644059137 /nfs/dbraw/zinc/05/91/37/644059137.db2.gz NRVQTAKBXMTDGR-UHFFFAOYSA-N 2 2 385.603 2.293 20 10 GECDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCSc1nccs1 ZINC000154688042 644059143 /nfs/dbraw/zinc/05/91/43/644059143.db2.gz NRVQTAKBXMTDGR-UHFFFAOYSA-N 2 2 385.603 2.293 20 10 GECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC000275365173 646352614 /nfs/dbraw/zinc/35/26/14/646352614.db2.gz ULAMFLARGYCLFX-DOMZBBRYSA-N 2 2 384.318 2.454 20 10 GECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1O ZINC000275365173 646352619 /nfs/dbraw/zinc/35/26/19/646352619.db2.gz ULAMFLARGYCLFX-DOMZBBRYSA-N 2 2 384.318 2.454 20 10 GECDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825222467 653921732 /nfs/dbraw/zinc/92/17/32/653921732.db2.gz GAZAJUNGELCAEG-UHFFFAOYSA-N 2 2 384.318 2.187 20 10 GECDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Br)ccc1O ZINC000359955908 206273473 /nfs/dbraw/zinc/27/34/73/206273473.db2.gz CSXQHJBBGDPJIY-GOEBONIOSA-N 2 2 398.345 2.212 20 10 GECDLP Oc1ccccc1C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826511304 608873268 /nfs/dbraw/zinc/87/32/68/608873268.db2.gz JWZSIXZMKZAEDC-UHFFFAOYSA-N 2 2 387.447 2.443 20 10 GECDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCSc3nccs3)C2)CC1 ZINC000759583250 652578727 /nfs/dbraw/zinc/57/87/27/652578727.db2.gz XYJKKEKMVIGMIY-CQSZACIVSA-N 2 2 383.587 2.093 20 10 GECDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCSc3nccs3)C2)CC1 ZINC000759583250 652578732 /nfs/dbraw/zinc/57/87/32/652578732.db2.gz XYJKKEKMVIGMIY-CQSZACIVSA-N 2 2 383.587 2.093 20 10 GECDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3O)CC2)CC1 ZINC000825903351 653943687 /nfs/dbraw/zinc/94/36/87/653943687.db2.gz FBJCWGSGDORYSS-UHFFFAOYSA-N 2 2 396.329 2.141 20 10 GECDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)cc(OC)c3O)C2)CC1 ZINC000093132745 643075047 /nfs/dbraw/zinc/07/50/47/643075047.db2.gz OTIAEXQVSRSXMG-INIZCTEOSA-N 2 2 398.345 2.375 20 10 GECDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)cc(OC)c3O)C2)CC1 ZINC000093132745 643075050 /nfs/dbraw/zinc/07/50/50/643075050.db2.gz OTIAEXQVSRSXMG-INIZCTEOSA-N 2 2 398.345 2.375 20 10 GECDLP Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841086540 653706139 /nfs/dbraw/zinc/70/61/39/653706139.db2.gz OMRRDWDKCIULQM-LLVKDONJSA-N 2 2 394.107 2.385 20 10 GECDLP Oc1cccc(Br)c1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371487 653837621 /nfs/dbraw/zinc/83/76/21/653837621.db2.gz MERIMLUVFHYIHU-HNNXBMFYSA-N 2 2 398.345 2.041 20 10 GECDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Br)ccc1O ZINC000359955907 206273695 /nfs/dbraw/zinc/27/36/95/206273695.db2.gz CSXQHJBBGDPJIY-GDBMZVCRSA-N 2 2 398.345 2.212 20 10 GECDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1O ZINC000359960470 206273915 /nfs/dbraw/zinc/27/39/15/206273915.db2.gz PDAVGUMHZKNBID-GOEBONIOSA-N 2 2 398.345 2.212 20 10 GECDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858120744 653349732 /nfs/dbraw/zinc/34/97/32/653349732.db2.gz LDZOGJRRJYGGFW-HNNXBMFYSA-N 2 2 384.318 2.187 20 10 GECDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858120744 653349739 /nfs/dbraw/zinc/34/97/39/653349739.db2.gz LDZOGJRRJYGGFW-HNNXBMFYSA-N 2 2 384.318 2.187 20 10 GECDLP Oc1cccc(Br)c1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371488 653837716 /nfs/dbraw/zinc/83/77/16/653837716.db2.gz MERIMLUVFHYIHU-OAHLLOKOSA-N 2 2 398.345 2.041 20 10 GECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2F)CC1 ZINC000821276499 599432599 /nfs/dbraw/zinc/43/25/99/599432599.db2.gz MAKXNDJHTIMVMQ-UHFFFAOYSA-N 2 2 385.447 2.031 20 10 GECDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)cc(OC)c3O)C2)CC1 ZINC000093132744 643074912 /nfs/dbraw/zinc/07/49/12/643074912.db2.gz OTIAEXQVSRSXMG-MRXNPFEDSA-N 2 2 398.345 2.375 20 10 GECDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)cc(OC)c3O)C2)CC1 ZINC000093132744 643074919 /nfs/dbraw/zinc/07/49/19/643074919.db2.gz OTIAEXQVSRSXMG-MRXNPFEDSA-N 2 2 398.345 2.375 20 10 GECDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3c(O)cccc3Br)CC2)CC1 ZINC000862367171 653684554 /nfs/dbraw/zinc/68/45/54/653684554.db2.gz YDUHUFAAACVJER-UHFFFAOYSA-N 2 2 396.329 2.141 20 10 GECDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1O ZINC000359960469 209207816 /nfs/dbraw/zinc/20/78/16/209207816.db2.gz PDAVGUMHZKNBID-GDBMZVCRSA-N 2 2 398.345 2.212 20 10 GECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000756547370 652500225 /nfs/dbraw/zinc/50/02/25/652500225.db2.gz BSFCKWOCIZCMMR-CHWSQXEVSA-N 2 2 384.318 2.393 20 10 GECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000756547370 652500232 /nfs/dbraw/zinc/50/02/32/652500232.db2.gz BSFCKWOCIZCMMR-CHWSQXEVSA-N 2 2 384.318 2.393 20 10 GECDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Br)ccc1O ZINC000359955909 209207484 /nfs/dbraw/zinc/20/74/84/209207484.db2.gz CSXQHJBBGDPJIY-HOCLYGCPSA-N 2 2 398.345 2.212 20 10 GECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1O ZINC000275365179 646352637 /nfs/dbraw/zinc/35/26/37/646352637.db2.gz ULAMFLARGYCLFX-IUODEOHRSA-N 2 2 384.318 2.454 20 10 GECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1O ZINC000275365179 646352640 /nfs/dbraw/zinc/35/26/40/646352640.db2.gz ULAMFLARGYCLFX-IUODEOHRSA-N 2 2 384.318 2.454 20 10 GECDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1O ZINC000359960471 209207835 /nfs/dbraw/zinc/20/78/35/209207835.db2.gz PDAVGUMHZKNBID-HOCLYGCPSA-N 2 2 398.345 2.212 20 10 GECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000756547375 652500477 /nfs/dbraw/zinc/50/04/77/652500477.db2.gz BSFCKWOCIZCMMR-STQMWFEESA-N 2 2 384.318 2.393 20 10 GECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000756547375 652500480 /nfs/dbraw/zinc/50/04/80/652500480.db2.gz BSFCKWOCIZCMMR-STQMWFEESA-N 2 2 384.318 2.393 20 10 GECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000756547371 652500414 /nfs/dbraw/zinc/50/04/14/652500414.db2.gz BSFCKWOCIZCMMR-OLZOCXBDSA-N 2 2 384.318 2.393 20 10 GECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1O ZINC000756547371 652500419 /nfs/dbraw/zinc/50/04/19/652500419.db2.gz BSFCKWOCIZCMMR-OLZOCXBDSA-N 2 2 384.318 2.393 20 10 GECDLP Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895686687 653845999 /nfs/dbraw/zinc/84/59/99/653845999.db2.gz VFMQUQFTRUOFKL-QGZVFWFLSA-N 2 2 398.345 2.041 20 10 GECDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Br)ccc1O ZINC000359955910 212127481 /nfs/dbraw/zinc/12/74/81/212127481.db2.gz CSXQHJBBGDPJIY-ZBFHGGJFSA-N 2 2 398.345 2.212 20 10 GECDLP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000853247469 654289345 /nfs/dbraw/zinc/28/93/45/654289345.db2.gz QLMPYBDPVWAGAV-UHFFFAOYSA-N 2 2 384.318 2.235 20 10 GECDLP Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC000275365191 646352713 /nfs/dbraw/zinc/35/27/13/646352713.db2.gz ULAMFLARGYCLFX-WFASDCNBSA-N 2 2 384.318 2.454 20 10 GECDLP Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1O ZINC000275365191 646352717 /nfs/dbraw/zinc/35/27/17/646352717.db2.gz ULAMFLARGYCLFX-WFASDCNBSA-N 2 2 384.318 2.454 20 10 GECDLP Oc1ccc(Br)cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372045 653837740 /nfs/dbraw/zinc/83/77/40/653837740.db2.gz JWYXIUAXDNEXFZ-KRWDZBQOSA-N 2 2 398.345 2.041 20 10 GECDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCSc3nccs3)C2)CC1 ZINC000759583212 652578770 /nfs/dbraw/zinc/57/87/70/652578770.db2.gz XYJKKEKMVIGMIY-AWEZNQCLSA-N 2 2 383.587 2.093 20 10 GECDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCSc3nccs3)C2)CC1 ZINC000759583212 652578776 /nfs/dbraw/zinc/57/87/76/652578776.db2.gz XYJKKEKMVIGMIY-AWEZNQCLSA-N 2 2 383.587 2.093 20 10 GECDLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939228 653722925 /nfs/dbraw/zinc/72/29/25/653722925.db2.gz AONTUUBUVVJWPW-DYVFJYSZSA-N 2 2 393.329 2.355 20 10 GECDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000841099647 653706315 /nfs/dbraw/zinc/70/63/15/653706315.db2.gz MVVPILZDFWNWEW-AWEZNQCLSA-N 2 2 380.290 2.350 20 10 GECDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000841099647 653706317 /nfs/dbraw/zinc/70/63/17/653706317.db2.gz MVVPILZDFWNWEW-AWEZNQCLSA-N 2 2 380.290 2.350 20 10 GECDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(Br)ccc3O)CC2)CC1 ZINC000289981387 532869668 /nfs/dbraw/zinc/86/96/68/532869668.db2.gz ZXJRWKVFUHCETL-UHFFFAOYSA-N 2 2 396.329 2.141 20 10 GECDLP COc1cc(Br)cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1O ZINC000877747532 653618211 /nfs/dbraw/zinc/61/82/11/653618211.db2.gz PKFFYOWXWLLOLT-UHFFFAOYSA-N 2 2 398.345 2.375 20 10 GECDLP