smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ncn(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c2c(=O)n(C)c1=O ZINC000007064895 1073619331 /nfs/dbraw/zinc/61/93/31/1073619331.db2.gz WIKIQIXLNWXXKB-UHFFFAOYSA-N 1 2 383.412 -0.823 20 0 GBADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008532889 1073203362 /nfs/dbraw/zinc/20/33/62/1073203362.db2.gz WJLANEPOWGBNSI-UHFFFAOYSA-N 1 2 396.513 -0.144 20 0 GBADLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008532889 1073203357 /nfs/dbraw/zinc/20/33/57/1073203357.db2.gz WJLANEPOWGBNSI-UHFFFAOYSA-N 1 2 396.513 -0.144 20 0 GBADLO Cn1cc(S(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)c(=O)n(C)c1=O ZINC000015334014 530135133 /nfs/dbraw/zinc/13/51/33/530135133.db2.gz IMLMFKLYGUOICL-UHFFFAOYSA-N 1 2 384.483 -0.348 20 0 GBADLO Cn1cc(S(=O)(=O)N2CC[NH+](Cc3ccsc3)CC2)c(=O)n(C)c1=O ZINC000015365230 530105017 /nfs/dbraw/zinc/10/50/17/530105017.db2.gz IWOIAGVMVDUSJS-UHFFFAOYSA-N 1 2 384.483 -0.348 20 0 GBADLO NC(=O)NC(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000019100179 221396695 /nfs/dbraw/zinc/39/66/95/221396695.db2.gz CZPCSQLWRLPJIY-UHFFFAOYSA-N 1 2 398.470 -0.417 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)CC1 ZINC000023696281 1072474981 /nfs/dbraw/zinc/47/49/81/1072474981.db2.gz UHFPBVYGPWNMMA-UHFFFAOYSA-N 1 2 389.500 -0.253 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCN(c3ccccc3O)CC2)CC1 ZINC000023699469 1072177607 /nfs/dbraw/zinc/17/76/07/1072177607.db2.gz GONHOVCMMNHDQE-UHFFFAOYSA-N 1 2 389.500 -0.253 20 0 GBADLO Cn1c(=O)c(C(=O)C[NH+]2CCC(C(N)=O)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000023777206 1072182345 /nfs/dbraw/zinc/18/23/45/1072182345.db2.gz GTYLKNIKOCBVFN-UHFFFAOYSA-N 1 2 399.451 -0.443 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000024684158 530126946 /nfs/dbraw/zinc/12/69/46/530126946.db2.gz JLYQFGJPQXMVRA-UHFFFAOYSA-N 1 2 388.515 -0.515 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000024684432 530127280 /nfs/dbraw/zinc/12/72/80/530127280.db2.gz AKPKWJFNOJDVQE-UHFFFAOYSA-N 1 2 394.544 -0.453 20 0 GBADLO Cc1cc(C)n(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000024696459 1073260096 /nfs/dbraw/zinc/26/00/96/1073260096.db2.gz SEJSYFRCDNSCOZ-UHFFFAOYSA-N 1 2 398.533 -0.474 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)nc3)CC2)CC1 ZINC000024696857 530105605 /nfs/dbraw/zinc/10/56/05/530105605.db2.gz WUZNXAMXTDGSLW-UHFFFAOYSA-N 1 2 387.893 -0.015 20 0 GBADLO COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024698640 1072985154 /nfs/dbraw/zinc/98/51/54/1072985154.db2.gz UAOLRKGZRVTSPF-UHFFFAOYSA-N 1 2 382.486 -0.055 20 0 GBADLO CC(=O)N1CCN(C(=O)C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000025152739 1072276394 /nfs/dbraw/zinc/27/63/94/1072276394.db2.gz PTOVYQMMWBFJIJ-UHFFFAOYSA-N 1 2 386.460 -0.824 20 0 GBADLO CNC(=O)c1ccc(C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C2CC2)cc1 ZINC000025189239 1073330339 /nfs/dbraw/zinc/33/03/39/1073330339.db2.gz CANFYBKZXGZPOR-UHFFFAOYSA-N 1 2 399.451 -0.127 20 0 GBADLO CNC(=O)c1ccc(C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C2CC2)cc1 ZINC000025189239 1073330334 /nfs/dbraw/zinc/33/03/34/1073330334.db2.gz CANFYBKZXGZPOR-UHFFFAOYSA-N 1 2 399.451 -0.127 20 0 GBADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000025336987 1073916487 /nfs/dbraw/zinc/91/64/87/1073916487.db2.gz OJQJSSIKKXUQDL-UHFFFAOYSA-N 1 2 397.497 -0.234 20 0 GBADLO CC(C)[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCOCC1 ZINC000025374002 530467172 /nfs/dbraw/zinc/46/71/72/530467172.db2.gz YTRSBLQVVSANFY-OAHLLOKOSA-N 1 2 391.515 -0.031 20 0 GBADLO CC(C)[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCOCC1 ZINC000025374005 530128069 /nfs/dbraw/zinc/12/80/69/530128069.db2.gz YTRSBLQVVSANFY-HNNXBMFYSA-N 1 2 391.515 -0.031 20 0 GBADLO CC(=O)N1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000025503046 1073450139 /nfs/dbraw/zinc/45/01/39/1073450139.db2.gz CMFBYXYMJAPLEW-UHFFFAOYSA-N 1 2 386.460 -0.824 20 0 GBADLO Cc1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n2ncnc2n1 ZINC000025571056 1073546828 /nfs/dbraw/zinc/54/68/28/1073546828.db2.gz VFRBIGYCILGKSZ-UHFFFAOYSA-N 1 2 380.478 -0.953 20 0 GBADLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000026128704 1073291633 /nfs/dbraw/zinc/29/16/33/1073291633.db2.gz OHUUHCXVDPJQHP-UHFFFAOYSA-N 1 2 388.476 -0.545 20 0 GBADLO CC(C)C[N@H+](CC(N)=O)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000026128704 1073291629 /nfs/dbraw/zinc/29/16/29/1073291629.db2.gz OHUUHCXVDPJQHP-UHFFFAOYSA-N 1 2 388.476 -0.545 20 0 GBADLO CS(=O)(=O)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000026909794 1072337338 /nfs/dbraw/zinc/33/73/38/1072337338.db2.gz ZTVKFEMCTGRRGR-UHFFFAOYSA-N 1 2 382.490 -0.908 20 0 GBADLO Cn1ncc2c1ncnc2N1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000026913440 1072340924 /nfs/dbraw/zinc/34/09/24/1072340924.db2.gz DLJZRROICBYGEI-UHFFFAOYSA-N 1 2 379.428 -0.005 20 0 GBADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000026958528 530360394 /nfs/dbraw/zinc/36/03/94/530360394.db2.gz SVUQGOBSTIFMQM-ZDUSSCGKSA-N 1 2 391.515 -0.031 20 0 GBADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000026958528 530360391 /nfs/dbraw/zinc/36/03/91/530360391.db2.gz SVUQGOBSTIFMQM-ZDUSSCGKSA-N 1 2 391.515 -0.031 20 0 GBADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000026958535 530360485 /nfs/dbraw/zinc/36/04/85/530360485.db2.gz SVUQGOBSTIFMQM-CYBMUJFWSA-N 1 2 391.515 -0.031 20 0 GBADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000026958535 530360484 /nfs/dbraw/zinc/36/04/84/530360484.db2.gz SVUQGOBSTIFMQM-CYBMUJFWSA-N 1 2 391.515 -0.031 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(CNC(C)=O)cc2)CC1 ZINC000026975849 1072295549 /nfs/dbraw/zinc/29/55/49/1072295549.db2.gz SXVYXLVIJUYQMS-UHFFFAOYSA-N 1 2 382.486 -0.189 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000026976604 1072296055 /nfs/dbraw/zinc/29/60/55/1072296055.db2.gz IXOKWBSLTSGHKV-UHFFFAOYSA-N 1 2 382.442 -0.380 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000026976628 530102879 /nfs/dbraw/zinc/10/28/79/530102879.db2.gz XZWVWDIEGBCZDY-UHFFFAOYSA-N 1 2 389.499 -0.421 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000026976678 1072364943 /nfs/dbraw/zinc/36/49/43/1072364943.db2.gz NXMSPOZBLPAYAV-UHFFFAOYSA-N 1 2 382.442 -0.494 20 0 GBADLO Cn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c(=O)n(C)c1=O ZINC000027287813 1073018047 /nfs/dbraw/zinc/01/80/47/1073018047.db2.gz KLWXEBWGIUNOOV-UHFFFAOYSA-N 1 2 399.451 -0.127 20 0 GBADLO Cn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c(=O)n(C)c1=O ZINC000027287813 1073018039 /nfs/dbraw/zinc/01/80/39/1073018039.db2.gz KLWXEBWGIUNOOV-UHFFFAOYSA-N 1 2 399.451 -0.127 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCN(S(C)(=O)=O)CC2)cc1 ZINC000027375615 530106375 /nfs/dbraw/zinc/10/63/75/530106375.db2.gz PYORBIQSHJYWNS-UHFFFAOYSA-N 1 2 391.515 -0.107 20 0 GBADLO Cn1c(N)c(C(=O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(=O)n(C)c1=O ZINC000027908195 1073491654 /nfs/dbraw/zinc/49/16/54/1073491654.db2.gz PPAALXIIJRBFEZ-UHFFFAOYSA-N 1 2 385.424 -0.388 20 0 GBADLO Cn1c(N)c(C(=O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(=O)n(C)c1=O ZINC000027908195 1073491645 /nfs/dbraw/zinc/49/16/45/1073491645.db2.gz PPAALXIIJRBFEZ-UHFFFAOYSA-N 1 2 385.424 -0.388 20 0 GBADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000028927800 1072643701 /nfs/dbraw/zinc/64/37/01/1072643701.db2.gz VZRPZVCJZDFTMW-LLVKDONJSA-N 1 2 382.417 -0.777 20 0 GBADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000028927800 1072643695 /nfs/dbraw/zinc/64/36/95/1072643695.db2.gz VZRPZVCJZDFTMW-LLVKDONJSA-N 1 2 382.417 -0.777 20 0 GBADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000028927801 1072643353 /nfs/dbraw/zinc/64/33/53/1072643353.db2.gz VZRPZVCJZDFTMW-NSHDSACASA-N 1 2 382.417 -0.777 20 0 GBADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000028927801 1072643350 /nfs/dbraw/zinc/64/33/50/1072643350.db2.gz VZRPZVCJZDFTMW-NSHDSACASA-N 1 2 382.417 -0.777 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+](C)CCOc2ccccc2)c(=O)[nH]c1=O ZINC000028931458 1072666847 /nfs/dbraw/zinc/66/68/47/1072666847.db2.gz PONZPKZCZAZFLK-UHFFFAOYSA-N 1 2 376.413 -0.041 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+](C)CCOc2ccccc2)c(=O)[nH]c1=O ZINC000028931458 1072666845 /nfs/dbraw/zinc/66/68/45/1072666845.db2.gz PONZPKZCZAZFLK-UHFFFAOYSA-N 1 2 376.413 -0.041 20 0 GBADLO Cc1cc(N)nc(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[nH+]1 ZINC000029914178 530244264 /nfs/dbraw/zinc/24/42/64/530244264.db2.gz ARIFKUNZZUMERU-GFCCVEGCSA-N 1 2 385.515 -0.209 20 0 GBADLO Cc1cc(N)nc(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[nH+]1 ZINC000029914183 530244097 /nfs/dbraw/zinc/24/40/97/530244097.db2.gz ARIFKUNZZUMERU-LBPRGKRZSA-N 1 2 385.515 -0.209 20 0 GBADLO CC(C)(CNC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O)[NH+]1CCOCC1 ZINC000030002739 1072507974 /nfs/dbraw/zinc/50/79/74/1072507974.db2.gz OCRWPXCKWYGPSH-UHFFFAOYSA-N 1 2 380.445 -0.053 20 0 GBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)N[C@@H](C)COC)CC1 ZINC000030133036 530106365 /nfs/dbraw/zinc/10/63/65/530106365.db2.gz YGIMVGSBLFWNME-LBPRGKRZSA-N 1 2 378.495 -0.359 20 0 GBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)N[C@H](C)COC)CC1 ZINC000030133039 530106444 /nfs/dbraw/zinc/10/64/44/530106444.db2.gz YGIMVGSBLFWNME-GFCCVEGCSA-N 1 2 378.495 -0.359 20 0 GBADLO O=C(C[NH+]1CCN(c2ccc(Br)cn2)CC1)N1CCNC(=O)C1 ZINC000030201085 530106557 /nfs/dbraw/zinc/10/65/57/530106557.db2.gz UBRWOROWJXPONB-UHFFFAOYSA-N 1 2 382.262 -0.076 20 0 GBADLO Cn1cc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c(=O)n(C)c1=O ZINC000030339253 1073477851 /nfs/dbraw/zinc/47/78/51/1073477851.db2.gz HQWQSIJICFNTCH-UHFFFAOYSA-N 1 2 389.437 -0.193 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000030625976 1072764885 /nfs/dbraw/zinc/76/48/85/1072764885.db2.gz VBTLQNBMMZBEMK-ZDUSSCGKSA-N 1 2 393.473 -0.564 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000030625978 1072764372 /nfs/dbraw/zinc/76/43/72/1072764372.db2.gz VBTLQNBMMZBEMK-CYBMUJFWSA-N 1 2 393.473 -0.564 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3ccnc(Cl)c3)CC2)CC1 ZINC000030695932 530106613 /nfs/dbraw/zinc/10/66/13/530106613.db2.gz BVBWHMBWUWVBAB-UHFFFAOYSA-N 1 2 387.893 -0.015 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc[nH]c3=S)CC2)CC1 ZINC000030696484 530106507 /nfs/dbraw/zinc/10/65/07/530106507.db2.gz YFTUYFJGKWZKCY-UHFFFAOYSA-N 1 2 385.515 -0.380 20 0 GBADLO Cn1cc(Cl)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030697219 530119352 /nfs/dbraw/zinc/11/93/52/530119352.db2.gz LUHIYSXFTPLDIP-UHFFFAOYSA-N 1 2 389.909 -0.072 20 0 GBADLO CC(=O)c1c[nH]c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000030697501 1072818702 /nfs/dbraw/zinc/81/87/02/1072818702.db2.gz IKTXLQWQNCPLPZ-UHFFFAOYSA-N 1 2 383.474 -0.533 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 ZINC000030697636 207373890 /nfs/dbraw/zinc/37/38/90/207373890.db2.gz NDLLJMSVGOXPGD-UHFFFAOYSA-N 1 2 375.882 -0.082 20 0 GBADLO Cc1noc(C)c1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030698064 1072818725 /nfs/dbraw/zinc/81/87/25/1072818725.db2.gz OACXPEXOSOKYAM-UHFFFAOYSA-N 1 2 385.490 -0.530 20 0 GBADLO COc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000030698792 1072818230 /nfs/dbraw/zinc/81/82/30/1072818230.db2.gz WINGQKBXNCSJNJ-UHFFFAOYSA-N 1 2 382.486 -0.055 20 0 GBADLO Cc1nc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000030699385 637591054 /nfs/dbraw/zinc/59/10/54/637591054.db2.gz MGBNTZXVMKKFNP-UHFFFAOYSA-N 1 2 387.531 -0.370 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000031934516 530106767 /nfs/dbraw/zinc/10/67/67/530106767.db2.gz HMXALXNTJAIYMC-HNNXBMFYSA-N 1 2 388.515 -0.390 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000031934518 530106745 /nfs/dbraw/zinc/10/67/45/530106745.db2.gz HMXALXNTJAIYMC-OAHLLOKOSA-N 1 2 388.515 -0.390 20 0 GBADLO CS(=O)(=O)N1CCC(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000031937497 530106802 /nfs/dbraw/zinc/10/68/02/530106802.db2.gz KKAGGWFYQGIBEA-INIZCTEOSA-N 1 2 391.559 -0.018 20 0 GBADLO CS(=O)(=O)N1CCC(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000031937498 530106956 /nfs/dbraw/zinc/10/69/56/530106956.db2.gz KKAGGWFYQGIBEA-MRXNPFEDSA-N 1 2 391.559 -0.018 20 0 GBADLO Cn1ncc2c1ncn(CC(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)c2=O ZINC000031937627 1073281973 /nfs/dbraw/zinc/28/19/73/1073281973.db2.gz NMTVAZOWJPXPIS-KRWDZBQOSA-N 1 2 392.485 -0.546 20 0 GBADLO Cn1ncc2c1ncn(CC(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)c2=O ZINC000031937628 1073281830 /nfs/dbraw/zinc/28/18/30/1073281830.db2.gz NMTVAZOWJPXPIS-QGZVFWFLSA-N 1 2 392.485 -0.546 20 0 GBADLO CC(C)[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[NH+]1CCOCC1 ZINC000032298652 1072316248 /nfs/dbraw/zinc/31/62/48/1072316248.db2.gz DMBOSLSPLKTSCV-OAHLLOKOSA-N 1 2 389.456 -0.281 20 0 GBADLO COC(=O)c1ccc2c(c1)nc(CN1CC[NH+](CC(=O)N(C)C)CC1)[nH]c2=O ZINC000032543236 1073613780 /nfs/dbraw/zinc/61/37/80/1073613780.db2.gz XNJPGTCFQYFOTP-UHFFFAOYSA-N 1 2 387.440 -0.085 20 0 GBADLO Cn1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000032717689 1073908617 /nfs/dbraw/zinc/90/86/17/1073908617.db2.gz IYIAJZAEVCSUSY-UHFFFAOYSA-N 1 2 378.458 -0.303 20 0 GBADLO CN1C[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000032718176 1072271972 /nfs/dbraw/zinc/27/19/72/1072271972.db2.gz FYQCWHHRKXTMJP-CQSZACIVSA-N 1 2 395.485 -0.872 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000032814846 1072278119 /nfs/dbraw/zinc/27/81/19/1072278119.db2.gz SIJUEKSLVYFMHC-OAHLLOKOSA-N 1 2 388.490 -0.709 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000032814849 1072278075 /nfs/dbraw/zinc/27/80/75/1072278075.db2.gz SIJUEKSLVYFMHC-HNNXBMFYSA-N 1 2 388.490 -0.709 20 0 GBADLO O=C(c1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1)N1CCN(CCO)CC1 ZINC000033382467 1072322913 /nfs/dbraw/zinc/32/29/13/1072322913.db2.gz CTYOSEMGVBAHQS-UHFFFAOYSA-N 1 2 390.484 -0.813 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccn3)CC2)CC1 ZINC000036834697 530097640 /nfs/dbraw/zinc/09/76/40/530097640.db2.gz NYGSHTHJSCENKH-UHFFFAOYSA-N 1 2 387.893 -0.015 20 0 GBADLO COCCNC(=S)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000036847258 637916173 /nfs/dbraw/zinc/91/61/73/637916173.db2.gz RPAVLKXWLSTLRA-UHFFFAOYSA-N 1 2 387.531 -0.356 20 0 GBADLO Cn1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1=O ZINC000038530554 1072347533 /nfs/dbraw/zinc/34/75/33/1072347533.db2.gz NBUHOUOCYCLJDH-UHFFFAOYSA-N 1 2 384.440 -0.026 20 0 GBADLO Cn1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1=O ZINC000038530554 1072347521 /nfs/dbraw/zinc/34/75/21/1072347521.db2.gz NBUHOUOCYCLJDH-UHFFFAOYSA-N 1 2 384.440 -0.026 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)[NH+]1CCOCC1 ZINC000041308163 1073721444 /nfs/dbraw/zinc/72/14/44/1073721444.db2.gz OXBYMFIIKKMBJN-MRXNPFEDSA-N 1 2 392.456 -0.038 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)[NH+]1CCOCC1 ZINC000041308167 1073721432 /nfs/dbraw/zinc/72/14/32/1073721432.db2.gz OXBYMFIIKKMBJN-INIZCTEOSA-N 1 2 392.456 -0.038 20 0 GBADLO CN(CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)S(C)(=O)=O ZINC000041380771 530140855 /nfs/dbraw/zinc/14/08/55/530140855.db2.gz JXWVDJNYWPWUFU-OAHLLOKOSA-N 1 2 394.563 -0.225 20 0 GBADLO CN(CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)S(C)(=O)=O ZINC000041380775 530141200 /nfs/dbraw/zinc/14/12/00/530141200.db2.gz JXWVDJNYWPWUFU-HNNXBMFYSA-N 1 2 394.563 -0.225 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041408388 530141044 /nfs/dbraw/zinc/14/10/44/530141044.db2.gz KNTONQBVODORCU-UKRRQHHQSA-N 1 2 377.532 -0.266 20 0 GBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041408391 530140837 /nfs/dbraw/zinc/14/08/37/530140837.db2.gz KNTONQBVODORCU-DZGCQCFKSA-N 1 2 377.532 -0.266 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000041621731 638349143 /nfs/dbraw/zinc/34/91/43/638349143.db2.gz MGNATBFHHKFNDQ-ZDUSSCGKSA-N 1 2 376.479 -0.699 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000041621731 638349135 /nfs/dbraw/zinc/34/91/35/638349135.db2.gz MGNATBFHHKFNDQ-ZDUSSCGKSA-N 1 2 376.479 -0.699 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000041621733 638349475 /nfs/dbraw/zinc/34/94/75/638349475.db2.gz MGNATBFHHKFNDQ-CYBMUJFWSA-N 1 2 376.479 -0.699 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000041621733 638349472 /nfs/dbraw/zinc/34/94/72/638349472.db2.gz MGNATBFHHKFNDQ-CYBMUJFWSA-N 1 2 376.479 -0.699 20 0 GBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000041994092 1072647737 /nfs/dbraw/zinc/64/77/37/1072647737.db2.gz CGXLEEBWDRRESB-LBPRGKRZSA-N 1 2 387.396 -0.071 20 0 GBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000041994094 1072647601 /nfs/dbraw/zinc/64/76/01/1072647601.db2.gz CGXLEEBWDRRESB-GFCCVEGCSA-N 1 2 387.396 -0.071 20 0 GBADLO O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000042106323 1072274732 /nfs/dbraw/zinc/27/47/32/1072274732.db2.gz XELLRRXUZOEBDZ-QGZVFWFLSA-N 1 2 381.498 -0.266 20 0 GBADLO O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000042106323 1072274725 /nfs/dbraw/zinc/27/47/25/1072274725.db2.gz XELLRRXUZOEBDZ-QGZVFWFLSA-N 1 2 381.498 -0.266 20 0 GBADLO O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000042106326 1072274637 /nfs/dbraw/zinc/27/46/37/1072274637.db2.gz XELLRRXUZOEBDZ-KRWDZBQOSA-N 1 2 381.498 -0.266 20 0 GBADLO O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000042106326 1072274626 /nfs/dbraw/zinc/27/46/26/1072274626.db2.gz XELLRRXUZOEBDZ-KRWDZBQOSA-N 1 2 381.498 -0.266 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)CCC)CC1 ZINC000042134198 530083453 /nfs/dbraw/zinc/08/34/53/530083453.db2.gz BNASVRJNEOBULE-UHFFFAOYSA-N 1 2 376.523 -0.235 20 0 GBADLO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000042134372 1073271326 /nfs/dbraw/zinc/27/13/26/1073271326.db2.gz PZXRWELRTBGLKQ-ZDUSSCGKSA-N 1 2 388.534 -0.094 20 0 GBADLO CCCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000042134373 1073271120 /nfs/dbraw/zinc/27/11/20/1073271120.db2.gz PZXRWELRTBGLKQ-CYBMUJFWSA-N 1 2 388.534 -0.094 20 0 GBADLO Cc1nnc(S[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)n(N)c1=O ZINC000042150250 1072387628 /nfs/dbraw/zinc/38/76/28/1072387628.db2.gz RHIYRSIGTVCQRB-GFCCVEGCSA-N 1 2 375.458 -0.115 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172139 1073922004 /nfs/dbraw/zinc/92/20/04/1073922004.db2.gz JMIKKMOATQKBGP-ZDUSSCGKSA-N 1 2 397.439 -0.262 20 0 GBADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172142 1073922382 /nfs/dbraw/zinc/92/23/82/1073922382.db2.gz JMIKKMOATQKBGP-CYBMUJFWSA-N 1 2 397.439 -0.262 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(S(C)(=O)=O)CC1 ZINC000042536407 1072299795 /nfs/dbraw/zinc/29/97/95/1072299795.db2.gz OLKZIOLBUSTRLE-HNNXBMFYSA-N 1 2 381.502 -0.304 20 0 GBADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(S(C)(=O)=O)CC1 ZINC000042536410 1072299874 /nfs/dbraw/zinc/29/98/74/1072299874.db2.gz OLKZIOLBUSTRLE-OAHLLOKOSA-N 1 2 381.502 -0.304 20 0 GBADLO NS(=O)(=O)N1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000042634329 1072423037 /nfs/dbraw/zinc/42/30/37/1072423037.db2.gz YZLJXEHBNGCJSH-UHFFFAOYSA-N 1 2 397.501 -0.722 20 0 GBADLO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000042685794 1072392818 /nfs/dbraw/zinc/39/28/18/1072392818.db2.gz NGEUUTBEAAFHKZ-NSHDSACASA-N 1 2 379.461 -0.524 20 0 GBADLO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000042685795 1072392922 /nfs/dbraw/zinc/39/29/22/1072392922.db2.gz NGEUUTBEAAFHKZ-LLVKDONJSA-N 1 2 379.461 -0.524 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000042869126 1070791663 /nfs/dbraw/zinc/79/16/63/1070791663.db2.gz HVCHXDSRUHVSPK-LLVKDONJSA-N 1 2 379.446 -0.618 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000042869128 1070791573 /nfs/dbraw/zinc/79/15/73/1070791573.db2.gz HVCHXDSRUHVSPK-NSHDSACASA-N 1 2 379.446 -0.618 20 0 GBADLO O=C(NCCCn1cc[nH+]c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000042897078 1073324068 /nfs/dbraw/zinc/32/40/68/1073324068.db2.gz OIUJCJQRCCCFOX-UHFFFAOYSA-N 1 2 386.478 -0.823 20 0 GBADLO CCOCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000043005560 530148006 /nfs/dbraw/zinc/14/80/06/530148006.db2.gz YOANJFUOUNCMDQ-UHFFFAOYSA-N 1 2 377.511 -0.768 20 0 GBADLO CC(C)OCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000043062030 1073534673 /nfs/dbraw/zinc/53/46/73/1073534673.db2.gz AAWCJUHIGYMHIG-UHFFFAOYSA-N 1 2 391.538 -0.379 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000043067190 530182678 /nfs/dbraw/zinc/18/26/78/530182678.db2.gz YVHHNEUGSBRXRU-UHFFFAOYSA-N 1 2 376.479 -0.746 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000043067190 530182676 /nfs/dbraw/zinc/18/26/76/530182676.db2.gz YVHHNEUGSBRXRU-UHFFFAOYSA-N 1 2 376.479 -0.746 20 0 GBADLO COC(=O)CCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000043067229 1073535836 /nfs/dbraw/zinc/53/58/36/1073535836.db2.gz HNDLXQHRCCYMNQ-UHFFFAOYSA-N 1 2 384.458 -0.397 20 0 GBADLO CC(C)(CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000043160482 1072253341 /nfs/dbraw/zinc/25/33/41/1072253341.db2.gz WSZJBJLSQUNZJN-UHFFFAOYSA-N 1 2 381.477 -0.770 20 0 GBADLO CC(C)(CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC000043160530 1072253391 /nfs/dbraw/zinc/25/33/91/1072253391.db2.gz XDJUHPWTUOXYPE-UHFFFAOYSA-N 1 2 395.504 -0.427 20 0 GBADLO CC(C)(CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000043160575 1073332199 /nfs/dbraw/zinc/33/21/99/1073332199.db2.gz YWIJWIJENBYPPY-UHFFFAOYSA-N 1 2 397.520 -0.717 20 0 GBADLO CN1CC[NH+]([C@@H](CNC(=O)NCCNS(C)(=O)=O)c2cccs2)CC1 ZINC000043229224 530190313 /nfs/dbraw/zinc/19/03/13/530190313.db2.gz IJWDYCFTGRQRDN-ZDUSSCGKSA-N 1 2 389.547 -0.115 20 0 GBADLO CN1CC[NH+]([C@H](CNC(=O)NCCNS(C)(=O)=O)c2cccs2)CC1 ZINC000043229226 530190099 /nfs/dbraw/zinc/19/00/99/530190099.db2.gz IJWDYCFTGRQRDN-CYBMUJFWSA-N 1 2 389.547 -0.115 20 0 GBADLO CC(C)(CNC(=O)CN1CCCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000043614066 637589585 /nfs/dbraw/zinc/58/95/85/637589585.db2.gz YFQYXNMFAUITBX-UHFFFAOYSA-N 1 2 376.523 -0.819 20 0 GBADLO CC(C)CC(=O)N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000043623732 1070813982 /nfs/dbraw/zinc/81/39/82/1070813982.db2.gz DQEARYZVBDHUDY-UHFFFAOYSA-N 1 2 376.461 -0.376 20 0 GBADLO Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000043774473 1073375673 /nfs/dbraw/zinc/37/56/73/1073375673.db2.gz IHQMAWDOCKPTSF-UHFFFAOYSA-N 1 2 382.486 -0.049 20 0 GBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000043785917 1073381191 /nfs/dbraw/zinc/38/11/91/1073381191.db2.gz DXFLEJNCGHBQDE-HNNXBMFYSA-N 1 2 396.517 -0.038 20 0 GBADLO CCOCCCNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138503 637469293 /nfs/dbraw/zinc/46/92/93/637469293.db2.gz JAYGBCKLNJVZIH-UHFFFAOYSA-N 1 2 393.579 -0.603 20 0 GBADLO COC[C@H](C)NC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138579 637469324 /nfs/dbraw/zinc/46/93/24/637469324.db2.gz DBXLBMKQMSWILJ-ZDUSSCGKSA-N 1 2 379.552 -0.994 20 0 GBADLO COC[C@@H](C)NC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138581 637468964 /nfs/dbraw/zinc/46/89/64/637468964.db2.gz DBXLBMKQMSWILJ-CYBMUJFWSA-N 1 2 379.552 -0.994 20 0 GBADLO CSCCCNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138593 637469141 /nfs/dbraw/zinc/46/91/41/637469141.db2.gz GINRMTGLWXGDJR-UHFFFAOYSA-N 1 2 395.620 -0.276 20 0 GBADLO Cn1cc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c(=O)n(C)c1=O ZINC000044790493 530072984 /nfs/dbraw/zinc/07/29/84/530072984.db2.gz PXEJVXSLPGMNMR-UHFFFAOYSA-N 1 2 383.817 -0.136 20 0 GBADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000044835359 1072143572 /nfs/dbraw/zinc/14/35/72/1072143572.db2.gz NJXNMIRSZGVECB-MRXNPFEDSA-N 1 2 385.486 -0.379 20 0 GBADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000044835362 1072143498 /nfs/dbraw/zinc/14/34/98/1072143498.db2.gz NJXNMIRSZGVECB-INIZCTEOSA-N 1 2 385.486 -0.379 20 0 GBADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000044835375 1073418449 /nfs/dbraw/zinc/41/84/49/1073418449.db2.gz NTBHCJHZYAKBKA-OAHLLOKOSA-N 1 2 389.474 -0.648 20 0 GBADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000044835380 1073418668 /nfs/dbraw/zinc/41/86/68/1073418668.db2.gz NTBHCJHZYAKBKA-HNNXBMFYSA-N 1 2 389.474 -0.648 20 0 GBADLO CS(=O)(=O)N1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000044857933 1072415134 /nfs/dbraw/zinc/41/51/34/1072415134.db2.gz DGQKYICYIFBUIT-UHFFFAOYSA-N 1 2 381.502 -0.303 20 0 GBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+](CC(N)=O)CC(C)C)c(=O)[nH]c1=O ZINC000044898815 1072151179 /nfs/dbraw/zinc/15/11/79/1072151179.db2.gz CZIAYXGHSRLODY-UHFFFAOYSA-N 1 2 396.492 -0.285 20 0 GBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+](CC(N)=O)CC(C)C)c(=O)[nH]c1=O ZINC000044898815 1072151176 /nfs/dbraw/zinc/15/11/76/1072151176.db2.gz CZIAYXGHSRLODY-UHFFFAOYSA-N 1 2 396.492 -0.285 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(c2ncccn2)CC1 ZINC000045372899 1073429085 /nfs/dbraw/zinc/42/90/85/1073429085.db2.gz MWEQYZLWVZKATB-UHFFFAOYSA-N 1 2 397.487 -0.080 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(c2cnccn2)CC1 ZINC000045373160 1073429463 /nfs/dbraw/zinc/42/94/63/1073429463.db2.gz VTJKZXADTZXAKV-UHFFFAOYSA-N 1 2 397.487 -0.080 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000045541075 530165164 /nfs/dbraw/zinc/16/51/64/530165164.db2.gz AHLWAAYMSCMIGF-UHFFFAOYSA-N 1 2 377.511 -0.769 20 0 GBADLO C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC000046258787 1072327097 /nfs/dbraw/zinc/32/70/97/1072327097.db2.gz AYSOSTUZRYTISB-HNNXBMFYSA-N 1 2 381.477 -0.817 20 0 GBADLO C[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC000046258791 1072328178 /nfs/dbraw/zinc/32/81/78/1072328178.db2.gz AYSOSTUZRYTISB-OAHLLOKOSA-N 1 2 381.477 -0.817 20 0 GBADLO C[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046374145 1073520539 /nfs/dbraw/zinc/52/05/39/1073520539.db2.gz NIJFKTYGAKJYPX-RWMBFGLXSA-N 1 2 389.456 -0.140 20 0 GBADLO C[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046374145 1073520525 /nfs/dbraw/zinc/52/05/25/1073520525.db2.gz NIJFKTYGAKJYPX-RWMBFGLXSA-N 1 2 389.456 -0.140 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000046479903 1072289750 /nfs/dbraw/zinc/28/97/50/1072289750.db2.gz NPGIYMWCXZQXIM-HNNXBMFYSA-N 1 2 381.477 -0.817 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000046479904 1072289762 /nfs/dbraw/zinc/28/97/62/1072289762.db2.gz NPGIYMWCXZQXIM-OAHLLOKOSA-N 1 2 381.477 -0.817 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000046480411 1072289811 /nfs/dbraw/zinc/28/98/11/1072289811.db2.gz ABEWEOGHJYRYMS-HNNXBMFYSA-N 1 2 397.501 -0.182 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000046480412 1072290114 /nfs/dbraw/zinc/29/01/14/1072290114.db2.gz ABEWEOGHJYRYMS-OAHLLOKOSA-N 1 2 397.501 -0.182 20 0 GBADLO CNC(=O)NC(=O)CC[NH+]1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000046517532 1072352273 /nfs/dbraw/zinc/35/22/73/1072352273.db2.gz FHIJOYGDXBYWKS-UHFFFAOYSA-N 1 2 389.522 -0.041 20 0 GBADLO Cn1c2ncn(CC(=O)NC3CCN(c4cccc[nH+]4)CC3)c2c(=O)n(C)c1=O ZINC000046617002 1073945455 /nfs/dbraw/zinc/94/54/55/1073945455.db2.gz QLTBLXNIVWKZMF-UHFFFAOYSA-N 1 2 397.439 -0.386 20 0 GBADLO COCCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000046734608 530107646 /nfs/dbraw/zinc/10/76/46/530107646.db2.gz CELDJNONFWWBOD-UHFFFAOYSA-N 1 2 377.511 -0.768 20 0 GBADLO CC(=O)N1CC[NH+](CCNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000046824675 530149250 /nfs/dbraw/zinc/14/92/50/530149250.db2.gz DZNRKXVNAIUUTR-UHFFFAOYSA-N 1 2 385.262 -0.109 20 0 GBADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000046868027 1072234164 /nfs/dbraw/zinc/23/41/64/1072234164.db2.gz VGZTZJBEXXJYOB-HNNXBMFYSA-N 1 2 397.501 -0.036 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOCC1 ZINC000046868039 1073337562 /nfs/dbraw/zinc/33/75/62/1073337562.db2.gz IFKMYGZKGKLWGK-UHFFFAOYSA-N 1 2 383.474 -0.425 20 0 GBADLO C[C@H]1COCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000046868068 1072234005 /nfs/dbraw/zinc/23/40/05/1072234005.db2.gz BXGDUEBNVSACND-HNNXBMFYSA-N 1 2 397.501 -0.036 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H](O)C1 ZINC000046868117 1072233922 /nfs/dbraw/zinc/23/39/22/1072233922.db2.gz QMMQPCRBHUCOBS-HNNXBMFYSA-N 1 2 397.501 -0.300 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H](O)C1 ZINC000046868119 1073338042 /nfs/dbraw/zinc/33/80/42/1073338042.db2.gz QMMQPCRBHUCOBS-OAHLLOKOSA-N 1 2 397.501 -0.300 20 0 GBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cn3nc4ccccn4c3=O)CC2)cc1 ZINC000046998949 1072138497 /nfs/dbraw/zinc/13/84/97/1072138497.db2.gz AGMIWKZBCFRSND-UHFFFAOYSA-N 1 2 394.435 -0.061 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000046999102 1073339189 /nfs/dbraw/zinc/33/91/89/1073339189.db2.gz LDIHBMMFBCWATC-MRXNPFEDSA-N 1 2 394.497 -0.146 20 0 GBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000046999104 1073339436 /nfs/dbraw/zinc/33/94/36/1073339436.db2.gz LDIHBMMFBCWATC-INIZCTEOSA-N 1 2 394.497 -0.146 20 0 GBADLO COCCn1nc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)ccc1=O ZINC000046999118 1070941754 /nfs/dbraw/zinc/94/17/54/1070941754.db2.gz YRGLDEGDRBUVTM-UHFFFAOYSA-N 1 2 399.451 -0.053 20 0 GBADLO COCCN1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1=O ZINC000046999187 1072138339 /nfs/dbraw/zinc/13/83/39/1072138339.db2.gz CKCIMDQGNPTTAX-QGZVFWFLSA-N 1 2 388.468 -0.075 20 0 GBADLO COCCN1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1=O ZINC000046999189 1072138321 /nfs/dbraw/zinc/13/83/21/1072138321.db2.gz CKCIMDQGNPTTAX-KRWDZBQOSA-N 1 2 388.468 -0.075 20 0 GBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CCCN3C(=O)CNC3=O)CC2)cc1 ZINC000047000218 1072139303 /nfs/dbraw/zinc/13/93/03/1072139303.db2.gz OTILVFRPWMMXOD-UHFFFAOYSA-N 1 2 387.440 -0.238 20 0 GBADLO CC(C)NC(=O)CN(C)CC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000047001703 1072237815 /nfs/dbraw/zinc/23/78/15/1072237815.db2.gz MUYZOJKHPRYAKC-UHFFFAOYSA-N 1 2 389.500 -0.114 20 0 GBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000047028001 1073340132 /nfs/dbraw/zinc/34/01/32/1073340132.db2.gz YJMMHWHNDNALRY-AWEZNQCLSA-N 1 2 386.478 -0.824 20 0 GBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000047028002 1073339831 /nfs/dbraw/zinc/33/98/31/1073339831.db2.gz YJMMHWHNDNALRY-CQSZACIVSA-N 1 2 386.478 -0.824 20 0 GBADLO CS(=O)(=O)N1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000047071091 530107484 /nfs/dbraw/zinc/10/74/84/530107484.db2.gz BBXVXTLIJJPDSZ-OAHLLOKOSA-N 1 2 392.547 -0.519 20 0 GBADLO CS(=O)(=O)N1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000047071092 530107563 /nfs/dbraw/zinc/10/75/63/530107563.db2.gz BBXVXTLIJJPDSZ-HNNXBMFYSA-N 1 2 392.547 -0.519 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000047151190 1073346918 /nfs/dbraw/zinc/34/69/18/1073346918.db2.gz HVPDEPYYFHIYLS-AWEZNQCLSA-N 1 2 393.488 -0.316 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000047151191 1073346582 /nfs/dbraw/zinc/34/65/82/1073346582.db2.gz HVPDEPYYFHIYLS-CQSZACIVSA-N 1 2 393.488 -0.316 20 0 GBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000047156042 1072436048 /nfs/dbraw/zinc/43/60/48/1072436048.db2.gz FCYMLPMEYJUIEF-UHFFFAOYSA-N 1 2 394.497 -0.073 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000047161790 1072435915 /nfs/dbraw/zinc/43/59/15/1072435915.db2.gz ORSNWEYLDGZVHB-ZDUSSCGKSA-N 1 2 380.470 -0.048 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000047161791 1072436189 /nfs/dbraw/zinc/43/61/89/1072436189.db2.gz ORSNWEYLDGZVHB-CYBMUJFWSA-N 1 2 380.470 -0.048 20 0 GBADLO Cn1c(N)c(C(=O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)c(=O)n(C)c1=O ZINC000047258543 1072353911 /nfs/dbraw/zinc/35/39/11/1072353911.db2.gz RHJJOOSFVQFAMI-UHFFFAOYSA-N 1 2 387.444 -0.734 20 0 GBADLO NC(=O)C[N@H+]1CCCN(C(=O)CCNC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000047342544 1073911438 /nfs/dbraw/zinc/91/14/38/1073911438.db2.gz AUNOUVDQAGZXSG-UHFFFAOYSA-N 1 2 393.469 -0.865 20 0 GBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCNC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000047342544 1073911436 /nfs/dbraw/zinc/91/14/36/1073911436.db2.gz AUNOUVDQAGZXSG-UHFFFAOYSA-N 1 2 393.469 -0.865 20 0 GBADLO O=C1NC(=S)NC(=O)C1=CNNc1ccc(S(=O)(=O)NC2CC2)c[nH+]1 ZINC000047548919 638350018 /nfs/dbraw/zinc/35/00/18/638350018.db2.gz WPFJZPIUSPOPML-UHFFFAOYSA-N 1 2 382.427 -0.306 20 0 GBADLO CC(C)NS(=O)(=O)c1ccc(NNC=C2C(=O)NC(=S)NC2=O)[nH+]c1 ZINC000047548927 638350293 /nfs/dbraw/zinc/35/02/93/638350293.db2.gz GRQUFXOIOJPCJU-UHFFFAOYSA-N 1 2 384.443 -0.060 20 0 GBADLO CC[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000047602001 1072380072 /nfs/dbraw/zinc/38/00/72/1072380072.db2.gz OSLKUNAPBJVMBK-AWEZNQCLSA-N 1 2 385.490 -0.397 20 0 GBADLO CC[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000047602003 1073374550 /nfs/dbraw/zinc/37/45/50/1073374550.db2.gz OSLKUNAPBJVMBK-CQSZACIVSA-N 1 2 385.490 -0.397 20 0 GBADLO CS(=O)(=O)NCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000047741529 530083992 /nfs/dbraw/zinc/08/39/92/530083992.db2.gz HAXWOTWQYWFTRR-LBPRGKRZSA-N 1 2 376.504 -0.030 20 0 GBADLO CS(=O)(=O)NCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000047741531 530078117 /nfs/dbraw/zinc/07/81/17/530078117.db2.gz HAXWOTWQYWFTRR-GFCCVEGCSA-N 1 2 376.504 -0.030 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnsn1 ZINC000047832338 638350897 /nfs/dbraw/zinc/35/08/97/638350897.db2.gz AQBGLRCUGYXBGD-UHFFFAOYSA-N 1 2 382.471 -0.185 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnns1 ZINC000047832342 530175273 /nfs/dbraw/zinc/17/52/73/530175273.db2.gz OFEYOEMKEPOIHC-UHFFFAOYSA-N 1 2 382.471 -0.185 20 0 GBADLO CCCC(=O)NCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000047832350 1072355631 /nfs/dbraw/zinc/35/56/31/1072355631.db2.gz YBBKSYSVWVVUHS-UHFFFAOYSA-N 1 2 397.501 -0.434 20 0 GBADLO CC(C)(CNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCOCC1 ZINC000047857156 1072451954 /nfs/dbraw/zinc/45/19/54/1072451954.db2.gz OVJLARUOIINIOY-CYBMUJFWSA-N 1 2 390.506 -0.910 20 0 GBADLO CC(C)(CNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCOCC1 ZINC000047857160 1072451865 /nfs/dbraw/zinc/45/18/65/1072451865.db2.gz OVJLARUOIINIOY-ZDUSSCGKSA-N 1 2 390.506 -0.910 20 0 GBADLO COc1ccc(COC[C@H](O)C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000048008545 1073482399 /nfs/dbraw/zinc/48/23/99/1073482399.db2.gz AEKAVMDQKGNAEA-QGZVFWFLSA-N 1 2 391.468 -0.005 20 0 GBADLO COc1ccc(COC[C@@H](O)C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000048008547 1073482333 /nfs/dbraw/zinc/48/23/33/1073482333.db2.gz AEKAVMDQKGNAEA-KRWDZBQOSA-N 1 2 391.468 -0.005 20 0 GBADLO COc1ncccc1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000048414984 1072577374 /nfs/dbraw/zinc/57/73/74/1072577374.db2.gz FPJDZLITXWVHJH-UHFFFAOYSA-N 1 2 398.489 -0.268 20 0 GBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000048599477 1071003941 /nfs/dbraw/zinc/00/39/41/1071003941.db2.gz YXVNNSHJFWODRE-UHFFFAOYSA-N 1 2 387.396 -0.069 20 0 GBADLO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000048917853 1073605597 /nfs/dbraw/zinc/60/55/97/1073605597.db2.gz ISXDIUNQLBNGFM-UHFFFAOYSA-N 1 2 387.396 -0.069 20 0 GBADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000048918163 1071020143 /nfs/dbraw/zinc/02/01/43/1071020143.db2.gz QRBSUFPJYFKWTH-UHFFFAOYSA-N 1 2 387.396 -0.530 20 0 GBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000048918198 1073506614 /nfs/dbraw/zinc/50/66/14/1073506614.db2.gz RPPFXSJTTWLVQZ-UHFFFAOYSA-N 1 2 395.441 -0.103 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(=O)N(C)C)cc2)CC1 ZINC000048974767 1072455573 /nfs/dbraw/zinc/45/55/73/1072455573.db2.gz REGWNGUOGVIGNZ-UHFFFAOYSA-N 1 2 375.473 -0.033 20 0 GBADLO COC(=O)N(C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000049749261 1072273278 /nfs/dbraw/zinc/27/32/78/1072273278.db2.gz RIUGBLKWRCITNC-UHFFFAOYSA-N 1 2 399.473 -0.652 20 0 GBADLO CCOC(=O)CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1CC1 ZINC000050032546 1073842610 /nfs/dbraw/zinc/84/26/10/1073842610.db2.gz AAGKGEXKQUKOBC-CYBMUJFWSA-N 1 2 389.474 -0.336 20 0 GBADLO CCOC(=O)CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)CC1CC1 ZINC000050032546 1073842605 /nfs/dbraw/zinc/84/26/05/1073842605.db2.gz AAGKGEXKQUKOBC-CYBMUJFWSA-N 1 2 389.474 -0.336 20 0 GBADLO CCOC(=O)CC[N@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CC1 ZINC000050032550 1073841996 /nfs/dbraw/zinc/84/19/96/1073841996.db2.gz AAGKGEXKQUKOBC-ZDUSSCGKSA-N 1 2 389.474 -0.336 20 0 GBADLO CCOC(=O)CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC1CC1 ZINC000050032550 1073841985 /nfs/dbraw/zinc/84/19/85/1073841985.db2.gz AAGKGEXKQUKOBC-ZDUSSCGKSA-N 1 2 389.474 -0.336 20 0 GBADLO COc1c(C)c[nH+]c(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C ZINC000050449106 1072484029 /nfs/dbraw/zinc/48/40/29/1072484029.db2.gz MIMWNXYYZGZJDU-UHFFFAOYSA-N 1 2 386.412 -0.229 20 0 GBADLO COc1c(C)c[nH+]c(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1C ZINC000050449450 1072485128 /nfs/dbraw/zinc/48/51/28/1072485128.db2.gz BMHXTVRGUIHOSD-UHFFFAOYSA-N 1 2 386.412 -0.229 20 0 GBADLO CCN1CCN(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(=O)C1=O ZINC000050798260 1073656772 /nfs/dbraw/zinc/65/67/72/1073656772.db2.gz XINBCALUSCOMOS-UHFFFAOYSA-N 1 2 379.505 -0.648 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)c(=O)[nH]c1=O ZINC000051045899 1071097895 /nfs/dbraw/zinc/09/78/95/1071097895.db2.gz BQCSNBURAODQFE-LBPRGKRZSA-N 1 2 391.472 -0.052 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c(=O)[nH]c1=O ZINC000051045899 1071097875 /nfs/dbraw/zinc/09/78/75/1071097875.db2.gz BQCSNBURAODQFE-LBPRGKRZSA-N 1 2 391.472 -0.052 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c(=O)[nH]c1=O ZINC000051045901 1071098314 /nfs/dbraw/zinc/09/83/14/1071098314.db2.gz BQCSNBURAODQFE-GFCCVEGCSA-N 1 2 391.472 -0.052 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c(=O)[nH]c1=O ZINC000051045901 1071098298 /nfs/dbraw/zinc/09/82/98/1071098298.db2.gz BQCSNBURAODQFE-GFCCVEGCSA-N 1 2 391.472 -0.052 20 0 GBADLO Nc1c(C(=O)C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000051046224 1071097506 /nfs/dbraw/zinc/09/75/06/1071097506.db2.gz LDSNRVGRSJLCPY-JTQLQIEISA-N 1 2 375.429 -0.373 20 0 GBADLO Nc1c(C(=O)C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000051046224 1071097489 /nfs/dbraw/zinc/09/74/89/1071097489.db2.gz LDSNRVGRSJLCPY-JTQLQIEISA-N 1 2 375.429 -0.373 20 0 GBADLO Nc1c(C(=O)C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000051046226 1071098036 /nfs/dbraw/zinc/09/80/36/1071098036.db2.gz LDSNRVGRSJLCPY-SNVBAGLBSA-N 1 2 375.429 -0.373 20 0 GBADLO Nc1c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000051046226 1071098010 /nfs/dbraw/zinc/09/80/10/1071098010.db2.gz LDSNRVGRSJLCPY-SNVBAGLBSA-N 1 2 375.429 -0.373 20 0 GBADLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051057070 1073676947 /nfs/dbraw/zinc/67/69/47/1073676947.db2.gz MASNJYUFBSZPQI-CHWSQXEVSA-N 1 2 393.488 -0.134 20 0 GBADLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051057070 1073676942 /nfs/dbraw/zinc/67/69/42/1073676942.db2.gz MASNJYUFBSZPQI-CHWSQXEVSA-N 1 2 393.488 -0.134 20 0 GBADLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051057072 1073676452 /nfs/dbraw/zinc/67/64/52/1073676452.db2.gz MASNJYUFBSZPQI-QWHCGFSZSA-N 1 2 393.488 -0.134 20 0 GBADLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051057072 1073676447 /nfs/dbraw/zinc/67/64/47/1073676447.db2.gz MASNJYUFBSZPQI-QWHCGFSZSA-N 1 2 393.488 -0.134 20 0 GBADLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051057074 1073676769 /nfs/dbraw/zinc/67/67/69/1073676769.db2.gz MASNJYUFBSZPQI-OLZOCXBDSA-N 1 2 393.488 -0.134 20 0 GBADLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051057074 1073676761 /nfs/dbraw/zinc/67/67/61/1073676761.db2.gz MASNJYUFBSZPQI-OLZOCXBDSA-N 1 2 393.488 -0.134 20 0 GBADLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051057076 1073676636 /nfs/dbraw/zinc/67/66/36/1073676636.db2.gz MASNJYUFBSZPQI-STQMWFEESA-N 1 2 393.488 -0.134 20 0 GBADLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051057076 1073676627 /nfs/dbraw/zinc/67/66/27/1073676627.db2.gz MASNJYUFBSZPQI-STQMWFEESA-N 1 2 393.488 -0.134 20 0 GBADLO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051063202 1073680141 /nfs/dbraw/zinc/68/01/41/1073680141.db2.gz CGJGFNXXENVVKT-GFCCVEGCSA-N 1 2 379.461 -0.523 20 0 GBADLO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051063202 1073680133 /nfs/dbraw/zinc/68/01/33/1073680133.db2.gz CGJGFNXXENVVKT-GFCCVEGCSA-N 1 2 379.461 -0.523 20 0 GBADLO CCCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051063205 1073680586 /nfs/dbraw/zinc/68/05/86/1073680586.db2.gz CGJGFNXXENVVKT-LBPRGKRZSA-N 1 2 379.461 -0.523 20 0 GBADLO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000051063205 1073680580 /nfs/dbraw/zinc/68/05/80/1073680580.db2.gz CGJGFNXXENVVKT-LBPRGKRZSA-N 1 2 379.461 -0.523 20 0 GBADLO Cc1cc(N2CCN(C(=O)CN3CCO[C@H](C(N)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000051103732 1073680562 /nfs/dbraw/zinc/68/05/62/1073680562.db2.gz DOUNLLDDEGLDAZ-HNNXBMFYSA-N 1 2 390.488 -0.257 20 0 GBADLO Cc1cc(N2CCN(C(=O)CN3CCO[C@@H](C(N)=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000051103733 1073680595 /nfs/dbraw/zinc/68/05/95/1073680595.db2.gz DOUNLLDDEGLDAZ-OAHLLOKOSA-N 1 2 390.488 -0.257 20 0 GBADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCO[C@@H](C(N)=O)C3)n2)CC1 ZINC000051103785 1073680271 /nfs/dbraw/zinc/68/02/71/1073680271.db2.gz SNZHNHMQIDTNQW-CQSZACIVSA-N 1 2 381.502 0.500 20 0 GBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCO[C@H](C(N)=O)C3)CC2)cc1 ZINC000051103965 1073680657 /nfs/dbraw/zinc/68/06/57/1073680657.db2.gz XQAUOQVUZCWNOK-KRWDZBQOSA-N 1 2 376.457 -0.475 20 0 GBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCO[C@@H](C(N)=O)C3)CC2)cc1 ZINC000051103968 1073680416 /nfs/dbraw/zinc/68/04/16/1073680416.db2.gz XQAUOQVUZCWNOK-QGZVFWFLSA-N 1 2 376.457 -0.475 20 0 GBADLO NC(=O)[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000051103970 1073200393 /nfs/dbraw/zinc/20/03/93/1073200393.db2.gz VUENVVBWIVCVRL-SFHVURJKSA-N 1 2 388.468 -0.548 20 0 GBADLO NC(=O)[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000051103973 1073200190 /nfs/dbraw/zinc/20/01/90/1073200190.db2.gz VUENVVBWIVCVRL-GOSISDBHSA-N 1 2 388.468 -0.548 20 0 GBADLO NC(=O)[C@@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000051106425 1073680683 /nfs/dbraw/zinc/68/06/83/1073680683.db2.gz GNVQZIBWHMNCHU-INIZCTEOSA-N 1 2 399.469 -0.728 20 0 GBADLO NC(=O)[C@@H]1C[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000051106425 1073680678 /nfs/dbraw/zinc/68/06/78/1073680678.db2.gz GNVQZIBWHMNCHU-INIZCTEOSA-N 1 2 399.469 -0.728 20 0 GBADLO NC(=O)[C@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000051106426 1073680255 /nfs/dbraw/zinc/68/02/55/1073680255.db2.gz GNVQZIBWHMNCHU-MRXNPFEDSA-N 1 2 399.469 -0.728 20 0 GBADLO NC(=O)[C@H]1C[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000051106426 1073680247 /nfs/dbraw/zinc/68/02/47/1073680247.db2.gz GNVQZIBWHMNCHU-MRXNPFEDSA-N 1 2 399.469 -0.728 20 0 GBADLO NC(=O)[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000051130400 1073681467 /nfs/dbraw/zinc/68/14/67/1073681467.db2.gz LZWLPLPIALKELD-KRWDZBQOSA-N 1 2 376.457 -0.679 20 0 GBADLO NC(=O)[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000051130401 1073681418 /nfs/dbraw/zinc/68/14/18/1073681418.db2.gz LZWLPLPIALKELD-QGZVFWFLSA-N 1 2 376.457 -0.679 20 0 GBADLO CN(CCCNC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1)S(C)(=O)=O ZINC000051154315 1073229814 /nfs/dbraw/zinc/22/98/14/1073229814.db2.gz SNFXFORALLXNKI-UHFFFAOYSA-N 1 2 384.502 -0.088 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2(O)CCCC2)CC1 ZINC000051177790 1072160380 /nfs/dbraw/zinc/16/03/80/1072160380.db2.gz UNGSXTCHFUXTNE-UHFFFAOYSA-N 1 2 388.428 -0.140 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000051226303 1073239557 /nfs/dbraw/zinc/23/95/57/1073239557.db2.gz JSMJLGIBVIVQDV-UHFFFAOYSA-N 1 2 396.517 -0.846 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NCc3cscn3)CC2)CC1 ZINC000051308978 530141802 /nfs/dbraw/zinc/14/18/02/530141802.db2.gz SLLXINKVEOMZSD-UHFFFAOYSA-N 1 2 388.519 -0.538 20 0 GBADLO CC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000051382455 1073694647 /nfs/dbraw/zinc/69/46/47/1073694647.db2.gz KBDNWYNCXKYANB-GFCCVEGCSA-N 1 2 388.490 -0.668 20 0 GBADLO CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000051382455 1073694642 /nfs/dbraw/zinc/69/46/42/1073694642.db2.gz KBDNWYNCXKYANB-GFCCVEGCSA-N 1 2 388.490 -0.668 20 0 GBADLO CC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000051382457 1073694659 /nfs/dbraw/zinc/69/46/59/1073694659.db2.gz KBDNWYNCXKYANB-LBPRGKRZSA-N 1 2 388.490 -0.668 20 0 GBADLO CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000051382457 1073694654 /nfs/dbraw/zinc/69/46/54/1073694654.db2.gz KBDNWYNCXKYANB-LBPRGKRZSA-N 1 2 388.490 -0.668 20 0 GBADLO COCCOCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000051389878 1072305984 /nfs/dbraw/zinc/30/59/84/1072305984.db2.gz VCCMVIQNPGHLBE-UHFFFAOYSA-N 1 2 392.416 -0.782 20 0 GBADLO O=C(NC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000051443553 1071110876 /nfs/dbraw/zinc/11/08/76/1071110876.db2.gz KKDNSYIGIIQKDG-JKSUJKDBSA-N 1 2 392.500 -0.316 20 0 GBADLO O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000051443556 1071110994 /nfs/dbraw/zinc/11/09/94/1071110994.db2.gz KKDNSYIGIIQKDG-HZPDHXFCSA-N 1 2 392.500 -0.316 20 0 GBADLO O=C(NC1CC1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000051443561 1071111361 /nfs/dbraw/zinc/11/13/61/1071111361.db2.gz KKDNSYIGIIQKDG-HOTGVXAUSA-N 1 2 392.500 -0.316 20 0 GBADLO O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000051443565 1071111379 /nfs/dbraw/zinc/11/13/79/1071111379.db2.gz KKDNSYIGIIQKDG-CVEARBPZSA-N 1 2 392.500 -0.316 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCCN(S(C)(=O)=O)CC2)C1 ZINC000051534404 530203871 /nfs/dbraw/zinc/20/38/71/530203871.db2.gz LBJIWTDNPPVOEF-CQSZACIVSA-N 1 2 375.491 -0.245 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCCN(S(C)(=O)=O)CC2)C1 ZINC000051534404 530203867 /nfs/dbraw/zinc/20/38/67/530203867.db2.gz LBJIWTDNPPVOEF-CQSZACIVSA-N 1 2 375.491 -0.245 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCCN(S(C)(=O)=O)CC2)C1 ZINC000051534406 530203980 /nfs/dbraw/zinc/20/39/80/530203980.db2.gz LBJIWTDNPPVOEF-AWEZNQCLSA-N 1 2 375.491 -0.245 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCCN(S(C)(=O)=O)CC2)C1 ZINC000051534406 530203977 /nfs/dbraw/zinc/20/39/77/530203977.db2.gz LBJIWTDNPPVOEF-AWEZNQCLSA-N 1 2 375.491 -0.245 20 0 GBADLO COCCCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000051658155 1072350213 /nfs/dbraw/zinc/35/02/13/1072350213.db2.gz GJPQMWXTFPTBBP-UHFFFAOYSA-N 1 2 376.417 -0.018 20 0 GBADLO NC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCO1 ZINC000051681583 1073777345 /nfs/dbraw/zinc/77/73/45/1073777345.db2.gz QGBBYGWJQSAVHN-INIZCTEOSA-N 1 2 389.456 -0.015 20 0 GBADLO NC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCO1 ZINC000051681585 1073777385 /nfs/dbraw/zinc/77/73/85/1073777385.db2.gz QGBBYGWJQSAVHN-MRXNPFEDSA-N 1 2 389.456 -0.015 20 0 GBADLO CCN(CC)C(=O)CN1CCC[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000051707985 1073799170 /nfs/dbraw/zinc/79/91/70/1073799170.db2.gz HQQDYWHPCSPNET-UHFFFAOYSA-N 1 2 381.521 -0.447 20 0 GBADLO CCN(CC)C(=O)CN1CCC[N@H+](CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000051707985 1073799162 /nfs/dbraw/zinc/79/91/62/1073799162.db2.gz HQQDYWHPCSPNET-UHFFFAOYSA-N 1 2 381.521 -0.447 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)C[C@H](C)O1 ZINC000051708916 1073587325 /nfs/dbraw/zinc/58/73/25/1073587325.db2.gz ABUQUKMNTDPLSH-GASCZTMLSA-N 1 2 384.502 -0.143 20 0 GBADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)C[C@H](C)O1 ZINC000051708917 1073587283 /nfs/dbraw/zinc/58/72/83/1073587283.db2.gz ABUQUKMNTDPLSH-GJZGRUSLSA-N 1 2 384.502 -0.143 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)C[C@@H](C)O1 ZINC000051708918 1073587538 /nfs/dbraw/zinc/58/75/38/1073587538.db2.gz ABUQUKMNTDPLSH-HUUCEWRRSA-N 1 2 384.502 -0.143 20 0 GBADLO CCS(=O)(=O)NCCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000051710195 1073808087 /nfs/dbraw/zinc/80/80/87/1073808087.db2.gz CHJPQISTCLGJLV-UHFFFAOYSA-N 1 2 399.521 -0.773 20 0 GBADLO CCS(=O)(=O)NCCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000051711846 530204867 /nfs/dbraw/zinc/20/48/67/530204867.db2.gz CLSOMPXWDOMPLG-OAHLLOKOSA-N 1 2 394.563 -0.177 20 0 GBADLO CCS(=O)(=O)NCCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000051711847 530204877 /nfs/dbraw/zinc/20/48/77/530204877.db2.gz CLSOMPXWDOMPLG-HNNXBMFYSA-N 1 2 394.563 -0.177 20 0 GBADLO NC(=O)[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000051713304 1073833473 /nfs/dbraw/zinc/83/34/73/1073833473.db2.gz NYSMRXWWQTUJQZ-KRWDZBQOSA-N 1 2 392.456 -0.207 20 0 GBADLO NC(=O)[C@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCO1 ZINC000051713305 1073833386 /nfs/dbraw/zinc/83/33/86/1073833386.db2.gz NYSMRXWWQTUJQZ-QGZVFWFLSA-N 1 2 392.456 -0.207 20 0 GBADLO NC(=O)[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000051713917 1073833455 /nfs/dbraw/zinc/83/34/55/1073833455.db2.gz SLWMMTXVMCAMNZ-KRWDZBQOSA-N 1 2 392.456 -0.207 20 0 GBADLO NC(=O)[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000051713918 1073833636 /nfs/dbraw/zinc/83/36/36/1073833636.db2.gz SLWMMTXVMCAMNZ-QGZVFWFLSA-N 1 2 392.456 -0.207 20 0 GBADLO CC(C)(CNC(=O)CN1CCCC[C@@H]1CNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000051734520 1073834566 /nfs/dbraw/zinc/83/45/66/1073834566.db2.gz PSMJKOVOIFATMH-OAHLLOKOSA-N 1 2 390.550 -0.383 20 0 GBADLO CC(C)(CNC(=O)CN1CCCC[C@H]1CNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000051734521 1073834639 /nfs/dbraw/zinc/83/46/39/1073834639.db2.gz PSMJKOVOIFATMH-HNNXBMFYSA-N 1 2 390.550 -0.383 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000051734975 1073834440 /nfs/dbraw/zinc/83/44/40/1073834440.db2.gz DXDDFUNOEPELHI-HNNXBMFYSA-N 1 2 386.518 -0.529 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000051734975 1073834426 /nfs/dbraw/zinc/83/44/26/1073834426.db2.gz DXDDFUNOEPELHI-HNNXBMFYSA-N 1 2 386.518 -0.529 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000051734976 1073834771 /nfs/dbraw/zinc/83/47/71/1073834771.db2.gz DXDDFUNOEPELHI-OAHLLOKOSA-N 1 2 386.518 -0.529 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000051734976 1073834764 /nfs/dbraw/zinc/83/47/64/1073834764.db2.gz DXDDFUNOEPELHI-OAHLLOKOSA-N 1 2 386.518 -0.529 20 0 GBADLO CC(C)Cc1noc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000051767952 1073593891 /nfs/dbraw/zinc/59/38/91/1073593891.db2.gz ZHNICOYUTHHWSN-UHFFFAOYSA-N 1 2 386.522 -0.122 20 0 GBADLO CC(C)[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768027 530186116 /nfs/dbraw/zinc/18/61/16/530186116.db2.gz WAGFXROHZDAQEM-OAHLLOKOSA-N 1 2 375.539 -0.743 20 0 GBADLO CC(C)[C@H](C)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768028 530186291 /nfs/dbraw/zinc/18/62/91/530186291.db2.gz WAGFXROHZDAQEM-HNNXBMFYSA-N 1 2 375.539 -0.743 20 0 GBADLO CCCCn1nnnc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768044 1073846358 /nfs/dbraw/zinc/84/63/58/1073846358.db2.gz PIYMIHJJKQTOEZ-UHFFFAOYSA-N 1 2 386.526 -0.917 20 0 GBADLO CCCCCNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768070 530206783 /nfs/dbraw/zinc/20/67/83/530206783.db2.gz LIGPWCYMYVOPDE-UHFFFAOYSA-N 1 2 375.539 -0.597 20 0 GBADLO CCCCCCNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768071 1072370286 /nfs/dbraw/zinc/37/02/86/1072370286.db2.gz CEXPCXCFLWVFGT-UHFFFAOYSA-N 1 2 389.566 -0.207 20 0 GBADLO CCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768138 530206759 /nfs/dbraw/zinc/20/67/59/530206759.db2.gz BDNLJMZCMGZDPC-UHFFFAOYSA-N 1 2 375.539 -0.599 20 0 GBADLO CC(C)N(C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000051768199 1073542962 /nfs/dbraw/zinc/54/29/62/1073542962.db2.gz HXPIFIODOCLUKW-UHFFFAOYSA-N 1 2 389.566 -0.258 20 0 GBADLO Cc1cc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000051768256 1073846281 /nfs/dbraw/zinc/84/62/81/1073846281.db2.gz SFHLGVYOOFMWSI-UHFFFAOYSA-N 1 2 386.478 -0.969 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(Cc3nnsc3Cl)CC2)CC1 ZINC000051768277 530285143 /nfs/dbraw/zinc/28/51/43/530285143.db2.gz IQDJTEKENLWRGY-UHFFFAOYSA-N 1 2 380.927 -0.199 20 0 GBADLO CCCCOC(=O)CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768291 637362443 /nfs/dbraw/zinc/36/24/43/637362443.db2.gz CCNHLYCZFFITSL-UHFFFAOYSA-N 1 2 376.523 -0.170 20 0 GBADLO COC(=O)c1ccoc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768380 1073846863 /nfs/dbraw/zinc/84/68/63/1073846863.db2.gz YEWWKWDNPULIHY-UHFFFAOYSA-N 1 2 386.474 -0.324 20 0 GBADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768468 1073543011 /nfs/dbraw/zinc/54/30/11/1073543011.db2.gz PKIMXKWPYJXKKU-HNNXBMFYSA-N 1 2 387.550 -0.457 20 0 GBADLO C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768469 1073543025 /nfs/dbraw/zinc/54/30/25/1073543025.db2.gz PKIMXKWPYJXKKU-OAHLLOKOSA-N 1 2 387.550 -0.457 20 0 GBADLO C[C@@H](C(=O)NCc1ccco1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768498 1071124129 /nfs/dbraw/zinc/12/41/29/1071124129.db2.gz SLOFYKOPVAPZSG-HNNXBMFYSA-N 1 2 399.517 -0.606 20 0 GBADLO C[C@H](C(=O)NCc1ccco1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768499 1071123633 /nfs/dbraw/zinc/12/36/33/1071123633.db2.gz SLOFYKOPVAPZSG-OAHLLOKOSA-N 1 2 399.517 -0.606 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768502 530185827 /nfs/dbraw/zinc/18/58/27/530185827.db2.gz LKISXHJNAGLWAT-AWEZNQCLSA-N 1 2 375.539 -0.601 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768503 530186102 /nfs/dbraw/zinc/18/61/02/530186102.db2.gz LKISXHJNAGLWAT-CQSZACIVSA-N 1 2 375.539 -0.601 20 0 GBADLO CC(C)CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768531 530186171 /nfs/dbraw/zinc/18/61/71/530186171.db2.gz ABJRSYXOIYYJAX-OAHLLOKOSA-N 1 2 375.539 -0.743 20 0 GBADLO CC(C)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768532 530186284 /nfs/dbraw/zinc/18/62/84/530186284.db2.gz ABJRSYXOIYYJAX-HNNXBMFYSA-N 1 2 375.539 -0.743 20 0 GBADLO CCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768547 530206284 /nfs/dbraw/zinc/20/62/84/530206284.db2.gz WNITZYIZSADMRA-OAHLLOKOSA-N 1 2 375.539 -0.599 20 0 GBADLO CCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768548 530206230 /nfs/dbraw/zinc/20/62/30/530206230.db2.gz WNITZYIZSADMRA-HNNXBMFYSA-N 1 2 375.539 -0.599 20 0 GBADLO CC[C@@H](C)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768552 530186095 /nfs/dbraw/zinc/18/60/95/530186095.db2.gz UKZXIBZSCZSATM-HUUCEWRRSA-N 1 2 375.539 -0.601 20 0 GBADLO CC[C@H](C)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768553 530186151 /nfs/dbraw/zinc/18/61/51/530186151.db2.gz UKZXIBZSCZSATM-LSDHHAIUSA-N 1 2 375.539 -0.601 20 0 GBADLO CC[C@@H](C)NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768554 530186386 /nfs/dbraw/zinc/18/63/86/530186386.db2.gz UKZXIBZSCZSATM-CABCVRRESA-N 1 2 375.539 -0.601 20 0 GBADLO CC[C@H](C)NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768555 530186394 /nfs/dbraw/zinc/18/63/94/530186394.db2.gz UKZXIBZSCZSATM-GJZGRUSLSA-N 1 2 375.539 -0.601 20 0 GBADLO CCCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768556 1073593582 /nfs/dbraw/zinc/59/35/82/1073593582.db2.gz AAKBUZBATORALG-MRXNPFEDSA-N 1 2 389.566 -0.209 20 0 GBADLO CCCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768557 1073593302 /nfs/dbraw/zinc/59/33/02/1073593302.db2.gz AAKBUZBATORALG-INIZCTEOSA-N 1 2 389.566 -0.209 20 0 GBADLO CC(C)CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768560 1073845188 /nfs/dbraw/zinc/84/51/88/1073845188.db2.gz PTIRSBAUKFNMAD-MRXNPFEDSA-N 1 2 389.566 -0.353 20 0 GBADLO CC(C)CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768561 1073845231 /nfs/dbraw/zinc/84/52/31/1073845231.db2.gz PTIRSBAUKFNMAD-INIZCTEOSA-N 1 2 389.566 -0.353 20 0 GBADLO CCC(CC)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768562 1073845275 /nfs/dbraw/zinc/84/52/75/1073845275.db2.gz MLRBWLXOQMGTCL-OAHLLOKOSA-N 1 2 389.566 -0.211 20 0 GBADLO CCC(CC)NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768563 1073845319 /nfs/dbraw/zinc/84/53/19/1073845319.db2.gz MLRBWLXOQMGTCL-HNNXBMFYSA-N 1 2 389.566 -0.211 20 0 GBADLO CCC[C@@H](C)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768566 1073593675 /nfs/dbraw/zinc/59/36/75/1073593675.db2.gz PPQKQSXNUOXVHT-HZPDHXFCSA-N 1 2 389.566 -0.211 20 0 GBADLO CCC[C@H](C)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768567 1073593750 /nfs/dbraw/zinc/59/37/50/1073593750.db2.gz PPQKQSXNUOXVHT-JKSUJKDBSA-N 1 2 389.566 -0.211 20 0 GBADLO CCC[C@@H](C)NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768568 1073594741 /nfs/dbraw/zinc/59/47/41/1073594741.db2.gz PPQKQSXNUOXVHT-CVEARBPZSA-N 1 2 389.566 -0.211 20 0 GBADLO CCC[C@H](C)NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768569 1073594485 /nfs/dbraw/zinc/59/44/85/1073594485.db2.gz PPQKQSXNUOXVHT-HOTGVXAUSA-N 1 2 389.566 -0.211 20 0 GBADLO CCC(C)(C)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768570 1073543451 /nfs/dbraw/zinc/54/34/51/1073543451.db2.gz DCXGHAFJAQGCGH-OAHLLOKOSA-N 1 2 389.566 -0.211 20 0 GBADLO CCC(C)(C)NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768571 1073542777 /nfs/dbraw/zinc/54/27/77/1073542777.db2.gz DCXGHAFJAQGCGH-HNNXBMFYSA-N 1 2 389.566 -0.211 20 0 GBADLO CCN(CC)C(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768574 530185947 /nfs/dbraw/zinc/18/59/47/530185947.db2.gz BVTOFKXFWAALFW-OAHLLOKOSA-N 1 2 375.539 -0.647 20 0 GBADLO CCN(CC)C(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768575 530186243 /nfs/dbraw/zinc/18/62/43/530186243.db2.gz BVTOFKXFWAALFW-HNNXBMFYSA-N 1 2 375.539 -0.647 20 0 GBADLO COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000051795428 1073867286 /nfs/dbraw/zinc/86/72/86/1073867286.db2.gz SYSWUVRWGVCPES-OAHLLOKOSA-N 1 2 394.497 -0.244 20 0 GBADLO COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000051795431 1073867892 /nfs/dbraw/zinc/86/78/92/1073867892.db2.gz SYSWUVRWGVCPES-HNNXBMFYSA-N 1 2 394.497 -0.244 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)CC1 ZINC000051892680 1073883887 /nfs/dbraw/zinc/88/38/87/1073883887.db2.gz AGTDZRYIQRHPFT-INIZCTEOSA-N 1 2 389.456 -0.915 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)CC1 ZINC000051892683 1073884247 /nfs/dbraw/zinc/88/42/47/1073884247.db2.gz AGTDZRYIQRHPFT-MRXNPFEDSA-N 1 2 389.456 -0.915 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cnsn2)CC1 ZINC000051943259 1072406859 /nfs/dbraw/zinc/40/68/59/1072406859.db2.gz DMBQVLJYDPPYLE-UHFFFAOYSA-N 1 2 388.413 -0.280 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000052076738 1073918904 /nfs/dbraw/zinc/91/89/04/1073918904.db2.gz PKAHPTVLYGVRBE-UHFFFAOYSA-N 1 2 391.413 -0.434 20 0 GBADLO O=S(=O)(CCNc1ccc2nnnn2n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000052100360 1073917229 /nfs/dbraw/zinc/91/72/29/1073917229.db2.gz JBNAIJRGNRUSAL-UHFFFAOYSA-N 1 2 389.445 -0.522 20 0 GBADLO CCS(=O)(=O)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000052110990 530210076 /nfs/dbraw/zinc/21/00/76/530210076.db2.gz CQOHARGFYLSBFG-UHFFFAOYSA-N 1 2 376.523 -0.819 20 0 GBADLO CCS(=O)(=O)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000052112130 1073919213 /nfs/dbraw/zinc/91/92/13/1073919213.db2.gz UOHVFSCBNWPDRF-UHFFFAOYSA-N 1 2 396.517 -0.517 20 0 GBADLO CCS(=O)(=O)N1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000052113356 530210208 /nfs/dbraw/zinc/21/02/08/530210208.db2.gz WDYMNPIXXFSALR-UHFFFAOYSA-N 1 2 377.488 -0.320 20 0 GBADLO CC(=O)N1CC[NH+](CCNc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000052129256 1071136710 /nfs/dbraw/zinc/13/67/10/1071136710.db2.gz KUSQFSJAVRSGQM-UHFFFAOYSA-N 1 2 397.501 -0.322 20 0 GBADLO COC(=O)c1cc(S(N)(=O)=O)ccc1NCC[NH+]1CCN(C(C)=O)CC1 ZINC000052129310 1073919066 /nfs/dbraw/zinc/91/90/66/1073919066.db2.gz PDUFHKYFLSCDQP-UHFFFAOYSA-N 1 2 384.458 -0.303 20 0 GBADLO Cc1cc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n[nH]1 ZINC000052139783 1072437215 /nfs/dbraw/zinc/43/72/15/1072437215.db2.gz CCEWNEKHTGVKIT-UHFFFAOYSA-N 1 2 384.400 -0.100 20 0 GBADLO CC(C)[C@@H](C(=O)NCCS(=O)(=O)N1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052152866 1072439375 /nfs/dbraw/zinc/43/93/75/1072439375.db2.gz HXQIAQXYCOGHIY-XHSDSOJGSA-N 1 2 391.534 -0.102 20 0 GBADLO CC(C)[C@@H](C(=O)NCCS(=O)(=O)N1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052152866 1072439368 /nfs/dbraw/zinc/43/93/68/1072439368.db2.gz HXQIAQXYCOGHIY-XHSDSOJGSA-N 1 2 391.534 -0.102 20 0 GBADLO CC(C)[C@@H](C(=O)NCCS(=O)(=O)N1CCOCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052152883 1072439666 /nfs/dbraw/zinc/43/96/66/1072439666.db2.gz HXQIAQXYCOGHIY-OAGGEKHMSA-N 1 2 391.534 -0.102 20 0 GBADLO CS(=O)(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000052244814 530192390 /nfs/dbraw/zinc/19/23/90/530192390.db2.gz INIZVMQDOZCVST-UHFFFAOYSA-N 1 2 386.543 -0.031 20 0 GBADLO CC(C)(CNC(=O)NCCS(=O)(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000052302836 637367194 /nfs/dbraw/zinc/36/71/94/637367194.db2.gz WFDZAFKPYGDAAF-UHFFFAOYSA-N 1 2 378.495 -0.942 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000052303287 1072456338 /nfs/dbraw/zinc/45/63/38/1072456338.db2.gz OXANBWDMSFPGCF-UHFFFAOYSA-N 1 2 383.474 -0.425 20 0 GBADLO Cc1cnn(CC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000052317335 1072457083 /nfs/dbraw/zinc/45/70/83/1072457083.db2.gz QFTPZQWMSMXCOO-UHFFFAOYSA-N 1 2 398.427 -0.240 20 0 GBADLO CCNC(=O)CN1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000052384200 1073921388 /nfs/dbraw/zinc/92/13/88/1073921388.db2.gz WLZVERXQMKXORA-UHFFFAOYSA-N 1 2 376.505 -0.088 20 0 GBADLO NS(=O)(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000052488044 530196745 /nfs/dbraw/zinc/19/67/45/530196745.db2.gz SYLVRSDHJZJDKU-UHFFFAOYSA-N 1 2 387.531 -0.787 20 0 GBADLO CS(=O)(=O)N1CCC[N@@H+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000052491361 530210349 /nfs/dbraw/zinc/21/03/49/530210349.db2.gz GUJDIQMJPCFHRS-UHFFFAOYSA-N 1 2 375.491 -0.244 20 0 GBADLO CS(=O)(=O)N1CCC[N@H+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000052491361 530210348 /nfs/dbraw/zinc/21/03/48/530210348.db2.gz GUJDIQMJPCFHRS-UHFFFAOYSA-N 1 2 375.491 -0.244 20 0 GBADLO CCN(CC)C(=O)N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000052639051 1073940620 /nfs/dbraw/zinc/94/06/20/1073940620.db2.gz RVDWBKXFZBRLSX-UHFFFAOYSA-N 1 2 391.476 -0.487 20 0 GBADLO CCCCNC(=O)C1CC[NH+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC1 ZINC000052642318 1073940694 /nfs/dbraw/zinc/94/06/94/1073940694.db2.gz DHVDEMIFLLSMDJ-UHFFFAOYSA-N 1 2 379.461 -0.050 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000052669250 530345418 /nfs/dbraw/zinc/34/54/18/530345418.db2.gz LKHOPMFZKTZZCI-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000052669250 530345416 /nfs/dbraw/zinc/34/54/16/530345416.db2.gz LKHOPMFZKTZZCI-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000052669252 530345179 /nfs/dbraw/zinc/34/51/79/530345179.db2.gz LKHOPMFZKTZZCI-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000052669252 530345176 /nfs/dbraw/zinc/34/51/76/530345176.db2.gz LKHOPMFZKTZZCI-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000052669838 1073935378 /nfs/dbraw/zinc/93/53/78/1073935378.db2.gz QRMLLMJFJCPOJL-CQSZACIVSA-N 1 2 398.485 -0.422 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000052669838 1073935373 /nfs/dbraw/zinc/93/53/73/1073935373.db2.gz QRMLLMJFJCPOJL-CQSZACIVSA-N 1 2 398.485 -0.422 20 0 GBADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000052669840 1073936696 /nfs/dbraw/zinc/93/66/96/1073936696.db2.gz QRMLLMJFJCPOJL-AWEZNQCLSA-N 1 2 398.485 -0.422 20 0 GBADLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000052669840 1073936691 /nfs/dbraw/zinc/93/66/91/1073936691.db2.gz QRMLLMJFJCPOJL-AWEZNQCLSA-N 1 2 398.485 -0.422 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000052671101 1073936416 /nfs/dbraw/zinc/93/64/16/1073936416.db2.gz BZKVAZPRHCTCLH-CQSZACIVSA-N 1 2 382.490 -0.861 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000052671101 1073936403 /nfs/dbraw/zinc/93/64/03/1073936403.db2.gz BZKVAZPRHCTCLH-CQSZACIVSA-N 1 2 382.490 -0.861 20 0 GBADLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000052671103 1073936481 /nfs/dbraw/zinc/93/64/81/1073936481.db2.gz BZKVAZPRHCTCLH-AWEZNQCLSA-N 1 2 382.490 -0.861 20 0 GBADLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000052671103 1073936476 /nfs/dbraw/zinc/93/64/76/1073936476.db2.gz BZKVAZPRHCTCLH-AWEZNQCLSA-N 1 2 382.490 -0.861 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052671480 1073936768 /nfs/dbraw/zinc/93/67/68/1073936768.db2.gz NSPIFOSVXNASPN-GJZGRUSLSA-N 1 2 396.517 -0.473 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052671480 1073936762 /nfs/dbraw/zinc/93/67/62/1073936762.db2.gz NSPIFOSVXNASPN-GJZGRUSLSA-N 1 2 396.517 -0.473 20 0 GBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052671482 1073936212 /nfs/dbraw/zinc/93/62/12/1073936212.db2.gz NSPIFOSVXNASPN-CABCVRRESA-N 1 2 396.517 -0.473 20 0 GBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052671482 1073936207 /nfs/dbraw/zinc/93/62/07/1073936207.db2.gz NSPIFOSVXNASPN-CABCVRRESA-N 1 2 396.517 -0.473 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000052671499 530345325 /nfs/dbraw/zinc/34/53/25/530345325.db2.gz GGBHGEAVSKBEHH-JSGCOSHPSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000052671499 530345322 /nfs/dbraw/zinc/34/53/22/530345322.db2.gz GGBHGEAVSKBEHH-JSGCOSHPSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000052671501 530345352 /nfs/dbraw/zinc/34/53/52/530345352.db2.gz GGBHGEAVSKBEHH-OCCSQVGLSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000052671501 530345350 /nfs/dbraw/zinc/34/53/50/530345350.db2.gz GGBHGEAVSKBEHH-OCCSQVGLSA-N 1 2 375.491 -0.200 20 0 GBADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000052696765 1073942420 /nfs/dbraw/zinc/94/24/20/1073942420.db2.gz MIGQKUJIEYPMMJ-LSDHHAIUSA-N 1 2 388.534 -0.235 20 0 GBADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000052696765 1073942416 /nfs/dbraw/zinc/94/24/16/1073942416.db2.gz MIGQKUJIEYPMMJ-LSDHHAIUSA-N 1 2 388.534 -0.235 20 0 GBADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000052696769 1073942301 /nfs/dbraw/zinc/94/23/01/1073942301.db2.gz MIGQKUJIEYPMMJ-HUUCEWRRSA-N 1 2 388.534 -0.235 20 0 GBADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000052696769 1073942293 /nfs/dbraw/zinc/94/22/93/1073942293.db2.gz MIGQKUJIEYPMMJ-HUUCEWRRSA-N 1 2 388.534 -0.235 20 0 GBADLO CCCCCNC(=O)C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000052721193 1073964309 /nfs/dbraw/zinc/96/43/09/1073964309.db2.gz LIHBWGLDRBAFFE-UHFFFAOYSA-N 1 2 393.488 -0.133 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(=O)n(C)c1=O ZINC000052782073 1073945983 /nfs/dbraw/zinc/94/59/83/1073945983.db2.gz WMODTEJGXNSTPS-LBPRGKRZSA-N 1 2 382.442 -0.208 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(=O)n(C)c1=O ZINC000052782074 1073946362 /nfs/dbraw/zinc/94/63/62/1073946362.db2.gz WMODTEJGXNSTPS-GFCCVEGCSA-N 1 2 382.442 -0.208 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(=O)n(C)c1=O ZINC000052782176 1073945931 /nfs/dbraw/zinc/94/59/31/1073945931.db2.gz JOLPAIJWQKMQFH-ZDUSSCGKSA-N 1 2 384.433 -0.196 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(=O)n(C)c1=O ZINC000052782177 1073945942 /nfs/dbraw/zinc/94/59/42/1073945942.db2.gz JOLPAIJWQKMQFH-CYBMUJFWSA-N 1 2 384.433 -0.196 20 0 GBADLO CS(=O)(=O)N1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000052798252 530085618 /nfs/dbraw/zinc/08/56/18/530085618.db2.gz RTJXCKAHRKUZQZ-UHFFFAOYSA-N 1 2 386.543 -0.031 20 0 GBADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000052815098 530211277 /nfs/dbraw/zinc/21/12/77/530211277.db2.gz KTZXWBGMMNDHTN-UHFFFAOYSA-N 1 2 391.471 -0.797 20 0 GBADLO CC(=O)NCC1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000052848970 1073947277 /nfs/dbraw/zinc/94/72/77/1073947277.db2.gz HHSZUNUVYKKFJZ-UHFFFAOYSA-N 1 2 379.461 -0.194 20 0 GBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@H](O)C3)C2=O)cc1 ZINC000052876102 1073948325 /nfs/dbraw/zinc/94/83/25/1073948325.db2.gz UIPPGJGFUXZKQP-UGSOOPFHSA-N 1 2 376.413 -0.050 20 0 GBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@H](O)C3)C2=O)cc1 ZINC000052876102 1073948318 /nfs/dbraw/zinc/94/83/18/1073948318.db2.gz UIPPGJGFUXZKQP-UGSOOPFHSA-N 1 2 376.413 -0.050 20 0 GBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@H](O)C3)C2=O)cc1 ZINC000052876105 1073948468 /nfs/dbraw/zinc/94/84/68/1073948468.db2.gz UIPPGJGFUXZKQP-SCLBCKFNSA-N 1 2 376.413 -0.050 20 0 GBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@H](O)C3)C2=O)cc1 ZINC000052876105 1073948462 /nfs/dbraw/zinc/94/84/62/1073948462.db2.gz UIPPGJGFUXZKQP-SCLBCKFNSA-N 1 2 376.413 -0.050 20 0 GBADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(=O)n(C)c1=O ZINC000052929369 1072461924 /nfs/dbraw/zinc/46/19/24/1072461924.db2.gz ZTURKRRDXGKNBT-LBPRGKRZSA-N 1 2 377.445 -0.913 20 0 GBADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(=O)n(C)c1=O ZINC000052929369 1072461921 /nfs/dbraw/zinc/46/19/21/1072461921.db2.gz ZTURKRRDXGKNBT-LBPRGKRZSA-N 1 2 377.445 -0.913 20 0 GBADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(=O)n(C)c1=O ZINC000052929372 1072461752 /nfs/dbraw/zinc/46/17/52/1072461752.db2.gz ZTURKRRDXGKNBT-GFCCVEGCSA-N 1 2 377.445 -0.913 20 0 GBADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(=O)n(C)c1=O ZINC000052929372 1072461743 /nfs/dbraw/zinc/46/17/43/1072461743.db2.gz ZTURKRRDXGKNBT-GFCCVEGCSA-N 1 2 377.445 -0.913 20 0 GBADLO COCC(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000052933980 1072542243 /nfs/dbraw/zinc/54/22/43/1072542243.db2.gz PYIFQQQGZHBNAL-UHFFFAOYSA-N 1 2 395.460 -0.547 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc[n+]1[O-] ZINC000053015049 1072550476 /nfs/dbraw/zinc/55/04/76/1072550476.db2.gz ILIQAUHVYPYQSF-UHFFFAOYSA-N 1 2 391.453 -0.403 20 0 GBADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000053220492 530083821 /nfs/dbraw/zinc/08/38/21/530083821.db2.gz OIYRIVMHESDRIN-CYBMUJFWSA-N 1 2 376.523 -0.189 20 0 GBADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000053220492 530083819 /nfs/dbraw/zinc/08/38/19/530083819.db2.gz OIYRIVMHESDRIN-CYBMUJFWSA-N 1 2 376.523 -0.189 20 0 GBADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000053220494 530083697 /nfs/dbraw/zinc/08/36/97/530083697.db2.gz OIYRIVMHESDRIN-ZDUSSCGKSA-N 1 2 376.523 -0.189 20 0 GBADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000053220494 530083694 /nfs/dbraw/zinc/08/36/94/530083694.db2.gz OIYRIVMHESDRIN-ZDUSSCGKSA-N 1 2 376.523 -0.189 20 0 GBADLO CCCCN(C)C(=O)C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000053239792 1073910643 /nfs/dbraw/zinc/91/06/43/1073910643.db2.gz VCKYQBKOPIXAHI-UHFFFAOYSA-N 1 2 393.488 -0.181 20 0 GBADLO NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)cc1 ZINC000053282070 1071175030 /nfs/dbraw/zinc/17/50/30/1071175030.db2.gz NDAJTNMMLKGVGC-UHFFFAOYSA-N 1 2 381.458 -0.238 20 0 GBADLO NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000053282072 1071175226 /nfs/dbraw/zinc/17/52/26/1071175226.db2.gz FPGNIEDIXKGITR-UHFFFAOYSA-N 1 2 381.458 -0.238 20 0 GBADLO Cn1c(NC[C@]2([NH+]3CCOCC3)CCSC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000053560832 1073188946 /nfs/dbraw/zinc/18/89/46/1073188946.db2.gz SNNIKMSRVJGLMR-MRXNPFEDSA-N 1 2 380.474 -0.420 20 0 GBADLO Cn1c(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000053560837 1073188956 /nfs/dbraw/zinc/18/89/56/1073188956.db2.gz SNNIKMSRVJGLMR-INIZCTEOSA-N 1 2 380.474 -0.420 20 0 GBADLO CC(C)(CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[NH+]1CCOCC1 ZINC000053637002 530086083 /nfs/dbraw/zinc/08/60/83/530086083.db2.gz MNTSZFCZHNCKQW-UHFFFAOYSA-N 1 2 389.250 -0.474 20 0 GBADLO COc1ccccc1OCC[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000053682218 1073344287 /nfs/dbraw/zinc/34/42/87/1073344287.db2.gz QNACLHFTNGGGGM-UHFFFAOYSA-N 1 2 376.413 -0.132 20 0 GBADLO COc1ccccc1OCC[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000053682218 1073344281 /nfs/dbraw/zinc/34/42/81/1073344281.db2.gz QNACLHFTNGGGGM-UHFFFAOYSA-N 1 2 376.413 -0.132 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c(=O)n(C)c1=O ZINC000053685848 530465396 /nfs/dbraw/zinc/46/53/96/530465396.db2.gz JYWYBNBHVYLXMP-UHFFFAOYSA-N 1 2 384.483 -0.518 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c(=O)n(C)c1=O ZINC000053685848 530465394 /nfs/dbraw/zinc/46/53/94/530465394.db2.gz JYWYBNBHVYLXMP-UHFFFAOYSA-N 1 2 384.483 -0.518 20 0 GBADLO Cn1cc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000053702723 1072465305 /nfs/dbraw/zinc/46/53/05/1072465305.db2.gz NRHWFFYPKBZBFD-UHFFFAOYSA-N 1 2 392.481 -0.367 20 0 GBADLO CCOC(=O)NCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053809254 1073540007 /nfs/dbraw/zinc/54/00/07/1073540007.db2.gz NAGIAYRLVBEJLW-UHFFFAOYSA-N 1 2 399.473 -0.604 20 0 GBADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCC(=O)OC(C)(C)C)CC2)CC1 ZINC000055058806 530467009 /nfs/dbraw/zinc/46/70/09/530467009.db2.gz GCLZJJLZSOFKHP-UHFFFAOYSA-N 1 2 376.523 -0.172 20 0 GBADLO CCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000057006185 530107613 /nfs/dbraw/zinc/10/76/13/530107613.db2.gz MWPGUWCZFORGPE-UHFFFAOYSA-N 1 2 376.504 -0.137 20 0 GBADLO Cn1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c(=O)n(C)c1=O ZINC000057020929 206278920 /nfs/dbraw/zinc/27/89/20/206278920.db2.gz ZEDHURAGHQLQAN-UHFFFAOYSA-N 1 2 375.410 -0.252 20 0 GBADLO CS(=O)(=O)N1CCC[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000057210542 530107315 /nfs/dbraw/zinc/10/73/15/530107315.db2.gz QZMCLELQEYGDBH-GOEBONIOSA-N 1 2 391.559 -0.018 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC000057272503 530107841 /nfs/dbraw/zinc/10/78/41/530107841.db2.gz ZJIKAYWLFZUXOK-LBPRGKRZSA-N 1 2 389.499 -0.006 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC000057272504 530107894 /nfs/dbraw/zinc/10/78/94/530107894.db2.gz ZJIKAYWLFZUXOK-GFCCVEGCSA-N 1 2 389.499 -0.006 20 0 GBADLO CCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000057272594 530108078 /nfs/dbraw/zinc/10/80/78/530108078.db2.gz LIPSQQZYLFHMLF-UHFFFAOYSA-N 1 2 389.499 -0.004 20 0 GBADLO O=C(CN1CCOCC1)N1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000057376989 1072319710 /nfs/dbraw/zinc/31/97/10/1072319710.db2.gz DJVAHNDYCRRUFX-UHFFFAOYSA-N 1 2 378.477 -0.151 20 0 GBADLO Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)n1 ZINC000057996204 205160799 /nfs/dbraw/zinc/16/07/99/205160799.db2.gz AJHQHZUXTXGWHB-UHFFFAOYSA-N 1 2 381.502 -0.052 20 0 GBADLO CCOc1nnc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000058396177 530086774 /nfs/dbraw/zinc/08/67/74/530086774.db2.gz MRXIIOAZMBWMCE-UHFFFAOYSA-N 1 2 390.535 -0.453 20 0 GBADLO CC(=O)NCC(=O)NCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000060407028 530363348 /nfs/dbraw/zinc/36/33/48/530363348.db2.gz WGYDBMBLEXWKSQ-UHFFFAOYSA-N 1 2 382.218 -0.035 20 0 GBADLO CNC(=O)NC(=O)CC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000060494545 1072507835 /nfs/dbraw/zinc/50/78/35/1072507835.db2.gz XAXOXYOXULHSCX-UHFFFAOYSA-N 1 2 394.457 -0.285 20 0 GBADLO O=C(N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000061637208 1072576560 /nfs/dbraw/zinc/57/65/60/1072576560.db2.gz AZVKBAMNJZCQSK-KBPBESRZSA-N 1 2 392.422 -0.080 20 0 GBADLO CCS(=O)(=O)NCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000061987578 530108541 /nfs/dbraw/zinc/10/85/41/530108541.db2.gz YPNUKKQOGHCOII-AWEZNQCLSA-N 1 2 380.536 -0.567 20 0 GBADLO Cn1cc[nH+]c1CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000063487433 1071480682 /nfs/dbraw/zinc/48/06/82/1071480682.db2.gz WBGUNKNDVCAAOO-UHFFFAOYSA-N 1 2 391.453 -0.487 20 0 GBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2[nH+]ccn2C)c1 ZINC000063529539 1071481625 /nfs/dbraw/zinc/48/16/25/1071481625.db2.gz XSFNODAULKTIDR-UHFFFAOYSA-N 1 2 395.485 -0.029 20 0 GBADLO Cn1cc[nH+]c1CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000063529576 1071481566 /nfs/dbraw/zinc/48/15/66/1071481566.db2.gz UMBBAGLSFWWDRE-UHFFFAOYSA-N 1 2 391.453 -0.487 20 0 GBADLO NC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000063759876 530108363 /nfs/dbraw/zinc/10/83/63/530108363.db2.gz FIOJPVDBFGMLGV-UHFFFAOYSA-N 1 2 387.234 -0.209 20 0 GBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000063759876 530108361 /nfs/dbraw/zinc/10/83/61/530108361.db2.gz FIOJPVDBFGMLGV-UHFFFAOYSA-N 1 2 387.234 -0.209 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1C ZINC000063760279 1072141383 /nfs/dbraw/zinc/14/13/83/1072141383.db2.gz CQGUAQGGYIWQAU-UHFFFAOYSA-N 1 2 396.513 -0.009 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1C ZINC000063760279 1072141378 /nfs/dbraw/zinc/14/13/78/1072141378.db2.gz CQGUAQGGYIWQAU-UHFFFAOYSA-N 1 2 396.513 -0.009 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2nccs2)CC1 ZINC000063854982 1073756537 /nfs/dbraw/zinc/75/65/37/1073756537.db2.gz LNMGQFJGOCTXTE-OAHLLOKOSA-N 1 2 393.513 -0.028 20 0 GBADLO CC(C)C(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000063862713 1073563331 /nfs/dbraw/zinc/56/33/31/1073563331.db2.gz XEPJWVKIOAGZJR-INIZCTEOSA-N 1 2 394.516 -0.070 20 0 GBADLO O=C(C1CC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064022209 1073831839 /nfs/dbraw/zinc/83/18/39/1073831839.db2.gz CRKVJDHYEAQIHO-MRXNPFEDSA-N 1 2 378.473 -0.752 20 0 GBADLO O=C(NCCc1nnc2ccccn21)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064022936 1072150711 /nfs/dbraw/zinc/15/07/11/1072150711.db2.gz AWSIGCGODKCABK-OAHLLOKOSA-N 1 2 386.456 -0.431 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(CC(F)(F)F)CC1 ZINC000064023751 1073831521 /nfs/dbraw/zinc/83/15/21/1073831521.db2.gz BVSCCNHBYLSVJE-CQSZACIVSA-N 1 2 392.422 -0.126 20 0 GBADLO COCCn1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1=O ZINC000064025675 1071495544 /nfs/dbraw/zinc/49/55/44/1071495544.db2.gz PVFLAEBGYWPPGS-HNNXBMFYSA-N 1 2 392.456 -0.386 20 0 GBADLO O=C(CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccccn1 ZINC000064034315 1073835910 /nfs/dbraw/zinc/83/59/10/1073835910.db2.gz VRGSXNPVWPMAHP-OAHLLOKOSA-N 1 2 389.456 -0.293 20 0 GBADLO O=C(NCCCNc1ncccn1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064035288 1072151376 /nfs/dbraw/zinc/15/13/76/1072151376.db2.gz NEOBCSWSZCXXCF-HNNXBMFYSA-N 1 2 376.461 -0.425 20 0 GBADLO CN(Cc1cccc(C(N)=O)c1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064037728 1072151447 /nfs/dbraw/zinc/15/14/47/1072151447.db2.gz PPHYNOMLDXTOJH-QGZVFWFLSA-N 1 2 388.468 -0.075 20 0 GBADLO N#Cc1cccnc1NCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064050607 1072151230 /nfs/dbraw/zinc/15/12/30/1072151230.db2.gz YBBCCWTXURKYBY-MRXNPFEDSA-N 1 2 386.456 -0.338 20 0 GBADLO O=C(NCCN1CCCS1(=O)=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000064253937 530108390 /nfs/dbraw/zinc/10/83/90/530108390.db2.gz AGTAFJDIWFWUNR-HNNXBMFYSA-N 1 2 392.547 -0.471 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c1 ZINC000064467751 530383839 /nfs/dbraw/zinc/38/38/39/530383839.db2.gz JPBMOMQTIVBLCO-UHFFFAOYSA-N 1 2 377.488 -0.405 20 0 GBADLO CC[N@@H+](CCC(=O)OC)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000064569626 530108355 /nfs/dbraw/zinc/10/83/55/530108355.db2.gz IZPWRUBQXDVOIZ-CQSZACIVSA-N 1 2 375.491 -0.797 20 0 GBADLO CC[N@H+](CCC(=O)OC)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000064569626 530108352 /nfs/dbraw/zinc/10/83/52/530108352.db2.gz IZPWRUBQXDVOIZ-CQSZACIVSA-N 1 2 375.491 -0.797 20 0 GBADLO Cn1nccc1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000064882273 1072386686 /nfs/dbraw/zinc/38/66/86/1072386686.db2.gz SHOOGAPSWGOKQY-UHFFFAOYSA-N 1 2 384.400 -0.398 20 0 GBADLO CCCOCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000065678983 1072570792 /nfs/dbraw/zinc/57/07/92/1072570792.db2.gz HWXXMUSRUCJGCG-UHFFFAOYSA-N 1 2 376.417 -0.018 20 0 GBADLO COc1ccc(CC(N)=[NH+]OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000065948764 1071524361 /nfs/dbraw/zinc/52/43/61/1071524361.db2.gz FPSZZWHFNNHEIF-LBPRGKRZSA-N 1 2 385.442 -0.162 20 0 GBADLO CN(CCCNC(=O)C[NH+]1CCN(Cc2cscn2)CC1)S(C)(=O)=O ZINC000065952627 530074299 /nfs/dbraw/zinc/07/42/99/530074299.db2.gz NXCWHHAOCINBDJ-UHFFFAOYSA-N 1 2 389.547 -0.342 20 0 GBADLO Cc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000066155512 637371486 /nfs/dbraw/zinc/37/14/86/637371486.db2.gz PWJFXDQJWLRHHX-UHFFFAOYSA-N 1 2 390.941 -0.008 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000066448317 1071532656 /nfs/dbraw/zinc/53/26/56/1071532656.db2.gz MUOSDYSSELTYOE-GFCCVEGCSA-N 1 2 385.424 -0.676 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000066448317 1071532653 /nfs/dbraw/zinc/53/26/53/1071532653.db2.gz MUOSDYSSELTYOE-GFCCVEGCSA-N 1 2 385.424 -0.676 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000066448319 1071532812 /nfs/dbraw/zinc/53/28/12/1071532812.db2.gz MUOSDYSSELTYOE-LBPRGKRZSA-N 1 2 385.424 -0.676 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2cnc3ccccc3c2O)C1 ZINC000066448319 1071532806 /nfs/dbraw/zinc/53/28/06/1071532806.db2.gz MUOSDYSSELTYOE-LBPRGKRZSA-N 1 2 385.424 -0.676 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000066449158 1071532953 /nfs/dbraw/zinc/53/29/53/1071532953.db2.gz DBDTZJMIEIPNKN-CQSZACIVSA-N 1 2 380.470 -0.094 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000066449158 1071532942 /nfs/dbraw/zinc/53/29/42/1071532942.db2.gz DBDTZJMIEIPNKN-CQSZACIVSA-N 1 2 380.470 -0.094 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000066449161 1071532844 /nfs/dbraw/zinc/53/28/44/1071532844.db2.gz DBDTZJMIEIPNKN-AWEZNQCLSA-N 1 2 380.470 -0.094 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000066449161 1071532837 /nfs/dbraw/zinc/53/28/37/1071532837.db2.gz DBDTZJMIEIPNKN-AWEZNQCLSA-N 1 2 380.470 -0.094 20 0 GBADLO COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000066449359 1071532921 /nfs/dbraw/zinc/53/29/21/1071532921.db2.gz YOQJPYMJGSSOME-CQSZACIVSA-N 1 2 398.485 -0.709 20 0 GBADLO COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000066449359 1071532910 /nfs/dbraw/zinc/53/29/10/1071532910.db2.gz YOQJPYMJGSSOME-CQSZACIVSA-N 1 2 398.485 -0.709 20 0 GBADLO COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000066449361 1071532628 /nfs/dbraw/zinc/53/26/28/1071532628.db2.gz YOQJPYMJGSSOME-AWEZNQCLSA-N 1 2 398.485 -0.709 20 0 GBADLO COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000066449361 1071532620 /nfs/dbraw/zinc/53/26/20/1071532620.db2.gz YOQJPYMJGSSOME-AWEZNQCLSA-N 1 2 398.485 -0.709 20 0 GBADLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)C2=O ZINC000066450695 1071532550 /nfs/dbraw/zinc/53/25/50/1071532550.db2.gz ZVFDBVIPYGXURF-VFVRVIDISA-N 1 2 379.461 -0.447 20 0 GBADLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)C2=O ZINC000066450695 1071532542 /nfs/dbraw/zinc/53/25/42/1071532542.db2.gz ZVFDBVIPYGXURF-VFVRVIDISA-N 1 2 379.461 -0.447 20 0 GBADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)C2=O ZINC000066450701 1071532707 /nfs/dbraw/zinc/53/27/07/1071532707.db2.gz ZVFDBVIPYGXURF-SNUQEOBHSA-N 1 2 379.461 -0.447 20 0 GBADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)C2=O ZINC000066450701 1071532702 /nfs/dbraw/zinc/53/27/02/1071532702.db2.gz ZVFDBVIPYGXURF-SNUQEOBHSA-N 1 2 379.461 -0.447 20 0 GBADLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000066451038 1071532394 /nfs/dbraw/zinc/53/23/94/1071532394.db2.gz MXIYJKDGDNSZQP-CQSZACIVSA-N 1 2 380.470 -0.170 20 0 GBADLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000066451038 1071532386 /nfs/dbraw/zinc/53/23/86/1071532386.db2.gz MXIYJKDGDNSZQP-CQSZACIVSA-N 1 2 380.470 -0.170 20 0 GBADLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000066451041 1071532869 /nfs/dbraw/zinc/53/28/69/1071532869.db2.gz MXIYJKDGDNSZQP-AWEZNQCLSA-N 1 2 380.470 -0.170 20 0 GBADLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000066451041 1071532863 /nfs/dbraw/zinc/53/28/63/1071532863.db2.gz MXIYJKDGDNSZQP-AWEZNQCLSA-N 1 2 380.470 -0.170 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000066451099 1071532768 /nfs/dbraw/zinc/53/27/68/1071532768.db2.gz PQUOLILYFVSFOU-CQSZACIVSA-N 1 2 380.470 -0.193 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000066451099 1071532762 /nfs/dbraw/zinc/53/27/62/1071532762.db2.gz PQUOLILYFVSFOU-CQSZACIVSA-N 1 2 380.470 -0.193 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000066451101 1071532676 /nfs/dbraw/zinc/53/26/76/1071532676.db2.gz PQUOLILYFVSFOU-AWEZNQCLSA-N 1 2 380.470 -0.193 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000066451101 1071532671 /nfs/dbraw/zinc/53/26/71/1071532671.db2.gz PQUOLILYFVSFOU-AWEZNQCLSA-N 1 2 380.470 -0.193 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000066451201 1071533006 /nfs/dbraw/zinc/53/30/06/1071533006.db2.gz BPDMTVUGMAGXCU-CQSZACIVSA-N 1 2 380.470 -0.094 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000066451201 1071532997 /nfs/dbraw/zinc/53/29/97/1071532997.db2.gz BPDMTVUGMAGXCU-CQSZACIVSA-N 1 2 380.470 -0.094 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000066451204 1071532584 /nfs/dbraw/zinc/53/25/84/1071532584.db2.gz BPDMTVUGMAGXCU-AWEZNQCLSA-N 1 2 380.470 -0.094 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000066451204 1071532574 /nfs/dbraw/zinc/53/25/74/1071532574.db2.gz BPDMTVUGMAGXCU-AWEZNQCLSA-N 1 2 380.470 -0.094 20 0 GBADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)n(C)c1 ZINC000066451255 1071532508 /nfs/dbraw/zinc/53/25/08/1071532508.db2.gz KTPNAHVCWBDTJC-CYBMUJFWSA-N 1 2 399.517 -0.265 20 0 GBADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)n(C)c1 ZINC000066451255 1071532495 /nfs/dbraw/zinc/53/24/95/1071532495.db2.gz KTPNAHVCWBDTJC-CYBMUJFWSA-N 1 2 399.517 -0.265 20 0 GBADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)n(C)c1 ZINC000066451258 1071533499 /nfs/dbraw/zinc/53/34/99/1071533499.db2.gz KTPNAHVCWBDTJC-ZDUSSCGKSA-N 1 2 399.517 -0.265 20 0 GBADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)n(C)c1 ZINC000066451258 1071533491 /nfs/dbraw/zinc/53/34/91/1071533491.db2.gz KTPNAHVCWBDTJC-ZDUSSCGKSA-N 1 2 399.517 -0.265 20 0 GBADLO COc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1OC ZINC000066451486 1071533818 /nfs/dbraw/zinc/53/38/18/1071533818.db2.gz FHPIGIFPRYNGRK-CYBMUJFWSA-N 1 2 378.429 -0.501 20 0 GBADLO COc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1OC ZINC000066451486 1071533804 /nfs/dbraw/zinc/53/38/04/1071533804.db2.gz FHPIGIFPRYNGRK-CYBMUJFWSA-N 1 2 378.429 -0.501 20 0 GBADLO COc1ccc(C(=O)NCC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1OC ZINC000066451489 1071533547 /nfs/dbraw/zinc/53/35/47/1071533547.db2.gz FHPIGIFPRYNGRK-ZDUSSCGKSA-N 1 2 378.429 -0.501 20 0 GBADLO COc1ccc(C(=O)NCC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1OC ZINC000066451489 1071533540 /nfs/dbraw/zinc/53/35/40/1071533540.db2.gz FHPIGIFPRYNGRK-ZDUSSCGKSA-N 1 2 378.429 -0.501 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000066451536 1071533952 /nfs/dbraw/zinc/53/39/52/1071533952.db2.gz DTHRHPZAFKEEJN-SECBINFHSA-N 1 2 387.234 -0.162 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000066451536 1071533942 /nfs/dbraw/zinc/53/39/42/1071533942.db2.gz DTHRHPZAFKEEJN-SECBINFHSA-N 1 2 387.234 -0.162 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000066451537 1071533584 /nfs/dbraw/zinc/53/35/84/1071533584.db2.gz DTHRHPZAFKEEJN-VIFPVBQESA-N 1 2 387.234 -0.162 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000066451537 1071533576 /nfs/dbraw/zinc/53/35/76/1071533576.db2.gz DTHRHPZAFKEEJN-VIFPVBQESA-N 1 2 387.234 -0.162 20 0 GBADLO CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H]3CCC[N@@H+](CC(N)=O)C3)ccc21 ZINC000066451690 1071534136 /nfs/dbraw/zinc/53/41/36/1071534136.db2.gz RWTQOJXRLIUIRT-CQSZACIVSA-N 1 2 380.470 -0.312 20 0 GBADLO CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H]3CCC[N@H+](CC(N)=O)C3)ccc21 ZINC000066451690 1071534133 /nfs/dbraw/zinc/53/41/33/1071534133.db2.gz RWTQOJXRLIUIRT-CQSZACIVSA-N 1 2 380.470 -0.312 20 0 GBADLO CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CCC[N@@H+](CC(N)=O)C3)ccc21 ZINC000066451692 1071533887 /nfs/dbraw/zinc/53/38/87/1071533887.db2.gz RWTQOJXRLIUIRT-AWEZNQCLSA-N 1 2 380.470 -0.312 20 0 GBADLO CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CCC[N@H+](CC(N)=O)C3)ccc21 ZINC000066451692 1071533877 /nfs/dbraw/zinc/53/38/77/1071533877.db2.gz RWTQOJXRLIUIRT-AWEZNQCLSA-N 1 2 380.470 -0.312 20 0 GBADLO CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000066451866 1071534126 /nfs/dbraw/zinc/53/41/26/1071534126.db2.gz GSWRUWUELJBRHR-CQSZACIVSA-N 1 2 382.486 -0.407 20 0 GBADLO CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000066451866 1071534122 /nfs/dbraw/zinc/53/41/22/1071534122.db2.gz GSWRUWUELJBRHR-CQSZACIVSA-N 1 2 382.486 -0.407 20 0 GBADLO CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000066451869 1071534018 /nfs/dbraw/zinc/53/40/18/1071534018.db2.gz GSWRUWUELJBRHR-AWEZNQCLSA-N 1 2 382.486 -0.407 20 0 GBADLO CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000066451869 1071534006 /nfs/dbraw/zinc/53/40/06/1071534006.db2.gz GSWRUWUELJBRHR-AWEZNQCLSA-N 1 2 382.486 -0.407 20 0 GBADLO COCC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066493239 530108857 /nfs/dbraw/zinc/10/88/57/530108857.db2.gz FDNQRGKZZMHLRL-CYBMUJFWSA-N 1 2 392.499 -0.152 20 0 GBADLO COCC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066493239 530108854 /nfs/dbraw/zinc/10/88/54/530108854.db2.gz FDNQRGKZZMHLRL-CYBMUJFWSA-N 1 2 392.499 -0.152 20 0 GBADLO COCC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066493240 530109012 /nfs/dbraw/zinc/10/90/12/530109012.db2.gz FDNQRGKZZMHLRL-ZDUSSCGKSA-N 1 2 392.499 -0.152 20 0 GBADLO COCC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066493240 530109011 /nfs/dbraw/zinc/10/90/11/530109011.db2.gz FDNQRGKZZMHLRL-ZDUSSCGKSA-N 1 2 392.499 -0.152 20 0 GBADLO CCOCC(=O)NNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000066702180 1073044508 /nfs/dbraw/zinc/04/45/08/1073044508.db2.gz GRMWHBMNJWYKBH-UHFFFAOYSA-N 1 2 378.433 -0.513 20 0 GBADLO Cn1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(=O)n(C)c1=O ZINC000066871739 1073422320 /nfs/dbraw/zinc/42/23/20/1073422320.db2.gz SDFNDBOGASJNBX-UHFFFAOYSA-N 1 2 375.410 -0.252 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000066880197 530109016 /nfs/dbraw/zinc/10/90/16/530109016.db2.gz QGBGOYMEJXQDAR-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000066883870 530109026 /nfs/dbraw/zinc/10/90/26/530109026.db2.gz BUADTYPLSCNEOD-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000066892270 1072378238 /nfs/dbraw/zinc/37/82/38/1072378238.db2.gz DATUGGZZLHSHQO-IAGOWNOFSA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000066892270 1072378235 /nfs/dbraw/zinc/37/82/35/1072378235.db2.gz DATUGGZZLHSHQO-IAGOWNOFSA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000066892271 1072378126 /nfs/dbraw/zinc/37/81/26/1072378126.db2.gz DATUGGZZLHSHQO-DLBZAZTESA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000066892271 1072378121 /nfs/dbraw/zinc/37/81/21/1072378121.db2.gz DATUGGZZLHSHQO-DLBZAZTESA-N 1 2 380.489 -0.173 20 0 GBADLO CNC(=O)c1ccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000066951122 1072388270 /nfs/dbraw/zinc/38/82/70/1072388270.db2.gz GMLUNJQOBZFDIJ-UHFFFAOYSA-N 1 2 395.529 -0.344 20 0 GBADLO CCCC[C@@H](C(=O)OC)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000067227041 530410410 /nfs/dbraw/zinc/41/04/10/530410410.db2.gz AGNADEDJGCSPSR-HNNXBMFYSA-N 1 2 376.523 -0.172 20 0 GBADLO CCCC[C@H](C(=O)OC)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000067227042 530410498 /nfs/dbraw/zinc/41/04/98/530410498.db2.gz AGNADEDJGCSPSR-OAHLLOKOSA-N 1 2 376.523 -0.172 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000067267287 1071540780 /nfs/dbraw/zinc/54/07/80/1071540780.db2.gz HDNXFJKPDWUZHD-UHFFFAOYSA-N 1 2 379.461 -0.623 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000067267287 1071540777 /nfs/dbraw/zinc/54/07/77/1071540777.db2.gz HDNXFJKPDWUZHD-UHFFFAOYSA-N 1 2 379.461 -0.623 20 0 GBADLO O=C(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCc1ccccc1 ZINC000067292378 1073949181 /nfs/dbraw/zinc/94/91/81/1073949181.db2.gz MHUJTTPQLFEEKR-QGZVFWFLSA-N 1 2 388.468 -0.400 20 0 GBADLO O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCc1ccccc1 ZINC000067292382 1073948947 /nfs/dbraw/zinc/94/89/47/1073948947.db2.gz MHUJTTPQLFEEKR-KRWDZBQOSA-N 1 2 388.468 -0.400 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1CCC2(CC1)NC(=O)NC2=O ZINC000067300889 1071541471 /nfs/dbraw/zinc/54/14/71/1071541471.db2.gz PVLOHOJASRFNIN-UHFFFAOYSA-N 1 2 390.444 -0.078 20 0 GBADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000067716767 530108869 /nfs/dbraw/zinc/10/88/69/530108869.db2.gz JGUFAYVSCVYKQB-UHFFFAOYSA-N 1 2 391.471 -0.797 20 0 GBADLO COc1ccc(CC(N)=[NH+]OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000068322142 1071555990 /nfs/dbraw/zinc/55/59/90/1071555990.db2.gz FPSZZWHFNNHEIF-GFCCVEGCSA-N 1 2 385.442 -0.162 20 0 GBADLO COc1ccc(S(=O)(=O)N2CC[NH+](CCCS(N)(=O)=O)CC2)cc1 ZINC000068455431 530109427 /nfs/dbraw/zinc/10/94/27/530109427.db2.gz YKHBCQCNSRODQD-UHFFFAOYSA-N 1 2 377.488 -0.320 20 0 GBADLO CCCCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000068464028 1071558505 /nfs/dbraw/zinc/55/85/05/1071558505.db2.gz XPQLOGJWYAOHDJ-OAHLLOKOSA-N 1 2 388.534 -0.106 20 0 GBADLO CCCCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC000068464028 1071558497 /nfs/dbraw/zinc/55/84/97/1071558497.db2.gz XPQLOGJWYAOHDJ-OAHLLOKOSA-N 1 2 388.534 -0.106 20 0 GBADLO CCCCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000068464029 1071558227 /nfs/dbraw/zinc/55/82/27/1071558227.db2.gz XPQLOGJWYAOHDJ-HNNXBMFYSA-N 1 2 388.534 -0.106 20 0 GBADLO CCCCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC000068464029 1071558222 /nfs/dbraw/zinc/55/82/22/1071558222.db2.gz XPQLOGJWYAOHDJ-HNNXBMFYSA-N 1 2 388.534 -0.106 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000068464304 1071558760 /nfs/dbraw/zinc/55/87/60/1071558760.db2.gz JXWBXFOSRVRNIB-GDBMZVCRSA-N 1 2 394.497 -0.094 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000068464304 1071558747 /nfs/dbraw/zinc/55/87/47/1071558747.db2.gz JXWBXFOSRVRNIB-GDBMZVCRSA-N 1 2 394.497 -0.094 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC000068464372 1071558280 /nfs/dbraw/zinc/55/82/80/1071558280.db2.gz HXJMGUPSNYTDQX-DOMZBBRYSA-N 1 2 390.419 -0.688 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC000068464372 1071558278 /nfs/dbraw/zinc/55/82/78/1071558278.db2.gz HXJMGUPSNYTDQX-DOMZBBRYSA-N 1 2 390.419 -0.688 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 ZINC000068464373 1071558562 /nfs/dbraw/zinc/55/85/62/1071558562.db2.gz HXJMGUPSNYTDQX-IUODEOHRSA-N 1 2 390.419 -0.688 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 ZINC000068464373 1071558550 /nfs/dbraw/zinc/55/85/50/1071558550.db2.gz HXJMGUPSNYTDQX-IUODEOHRSA-N 1 2 390.419 -0.688 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC000068464374 1071558329 /nfs/dbraw/zinc/55/83/29/1071558329.db2.gz HXJMGUPSNYTDQX-WFASDCNBSA-N 1 2 390.419 -0.688 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC000068464374 1071558324 /nfs/dbraw/zinc/55/83/24/1071558324.db2.gz HXJMGUPSNYTDQX-WFASDCNBSA-N 1 2 390.419 -0.688 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 ZINC000068464375 1071558478 /nfs/dbraw/zinc/55/84/78/1071558478.db2.gz HXJMGUPSNYTDQX-SWLSCSKDSA-N 1 2 390.419 -0.688 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 ZINC000068464375 1071558468 /nfs/dbraw/zinc/55/84/68/1071558468.db2.gz HXJMGUPSNYTDQX-SWLSCSKDSA-N 1 2 390.419 -0.688 20 0 GBADLO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc(Cl)c1OCC(N)=O ZINC000068464542 1071558389 /nfs/dbraw/zinc/55/83/89/1071558389.db2.gz QYFNXGUZUAQMOY-LLVKDONJSA-N 1 2 398.847 -0.108 20 0 GBADLO COc1cc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc(Cl)c1OCC(N)=O ZINC000068464542 1071558383 /nfs/dbraw/zinc/55/83/83/1071558383.db2.gz QYFNXGUZUAQMOY-LLVKDONJSA-N 1 2 398.847 -0.108 20 0 GBADLO COc1cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc(Cl)c1OCC(N)=O ZINC000068464543 1071558681 /nfs/dbraw/zinc/55/86/81/1071558681.db2.gz QYFNXGUZUAQMOY-NSHDSACASA-N 1 2 398.847 -0.108 20 0 GBADLO COc1cc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc(Cl)c1OCC(N)=O ZINC000068464543 1071558663 /nfs/dbraw/zinc/55/86/63/1071558663.db2.gz QYFNXGUZUAQMOY-NSHDSACASA-N 1 2 398.847 -0.108 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000068464649 1071558457 /nfs/dbraw/zinc/55/84/57/1071558457.db2.gz GOIDLPYWRYQTFP-NWDGAFQWSA-N 1 2 386.449 -0.442 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000068464649 1071558455 /nfs/dbraw/zinc/55/84/55/1071558455.db2.gz GOIDLPYWRYQTFP-NWDGAFQWSA-N 1 2 386.449 -0.442 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000068464650 1071558177 /nfs/dbraw/zinc/55/81/77/1071558177.db2.gz GOIDLPYWRYQTFP-RYUDHWBXSA-N 1 2 386.449 -0.442 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000068464650 1071558167 /nfs/dbraw/zinc/55/81/67/1071558167.db2.gz GOIDLPYWRYQTFP-RYUDHWBXSA-N 1 2 386.449 -0.442 20 0 GBADLO CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1=O ZINC000068464771 1071558375 /nfs/dbraw/zinc/55/83/75/1071558375.db2.gz SPPXNFYFWOZNML-CYBMUJFWSA-N 1 2 387.440 -0.751 20 0 GBADLO CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)c1=O ZINC000068464771 1071558369 /nfs/dbraw/zinc/55/83/69/1071558369.db2.gz SPPXNFYFWOZNML-CYBMUJFWSA-N 1 2 387.440 -0.751 20 0 GBADLO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)c1=O ZINC000068464772 1071558350 /nfs/dbraw/zinc/55/83/50/1071558350.db2.gz SPPXNFYFWOZNML-ZDUSSCGKSA-N 1 2 387.440 -0.751 20 0 GBADLO CCn1c(=O)c2ccccc2n(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)c1=O ZINC000068464772 1071558346 /nfs/dbraw/zinc/55/83/46/1071558346.db2.gz SPPXNFYFWOZNML-ZDUSSCGKSA-N 1 2 387.440 -0.751 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000068465027 1071559600 /nfs/dbraw/zinc/55/96/00/1071559600.db2.gz DQTGTYRAMWGSAV-CYBMUJFWSA-N 1 2 386.449 -0.440 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000068465027 1071559593 /nfs/dbraw/zinc/55/95/93/1071559593.db2.gz DQTGTYRAMWGSAV-CYBMUJFWSA-N 1 2 386.449 -0.440 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000068465028 1071559654 /nfs/dbraw/zinc/55/96/54/1071559654.db2.gz DQTGTYRAMWGSAV-ZDUSSCGKSA-N 1 2 386.449 -0.440 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000068465028 1071559650 /nfs/dbraw/zinc/55/96/50/1071559650.db2.gz DQTGTYRAMWGSAV-ZDUSSCGKSA-N 1 2 386.449 -0.440 20 0 GBADLO CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)C2=O ZINC000068465115 1071559317 /nfs/dbraw/zinc/55/93/17/1071559317.db2.gz UGWZDLLVFCLMRF-SHYRYGCCSA-N 1 2 393.488 -0.057 20 0 GBADLO CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)C2=O ZINC000068465115 1071559305 /nfs/dbraw/zinc/55/93/05/1071559305.db2.gz UGWZDLLVFCLMRF-SHYRYGCCSA-N 1 2 393.488 -0.057 20 0 GBADLO CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)C2=O ZINC000068465116 1071559251 /nfs/dbraw/zinc/55/92/51/1071559251.db2.gz UGWZDLLVFCLMRF-BIWSTMPVSA-N 1 2 393.488 -0.057 20 0 GBADLO CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)C2=O ZINC000068465116 1071559237 /nfs/dbraw/zinc/55/92/37/1071559237.db2.gz UGWZDLLVFCLMRF-BIWSTMPVSA-N 1 2 393.488 -0.057 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1 ZINC000068465161 1071559617 /nfs/dbraw/zinc/55/96/17/1071559617.db2.gz AGEWRNVQNNTKRJ-VLIAUNLRSA-N 1 2 399.451 -0.554 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1 ZINC000068465161 1071559613 /nfs/dbraw/zinc/55/96/13/1071559613.db2.gz AGEWRNVQNNTKRJ-VLIAUNLRSA-N 1 2 399.451 -0.554 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000068465162 1071559695 /nfs/dbraw/zinc/55/96/95/1071559695.db2.gz AGEWRNVQNNTKRJ-JLTOFOAXSA-N 1 2 399.451 -0.554 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000068465162 1071559692 /nfs/dbraw/zinc/55/96/92/1071559692.db2.gz AGEWRNVQNNTKRJ-JLTOFOAXSA-N 1 2 399.451 -0.554 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1 ZINC000068465163 1071559716 /nfs/dbraw/zinc/55/97/16/1071559716.db2.gz AGEWRNVQNNTKRJ-XOBRGWDASA-N 1 2 399.451 -0.554 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1 ZINC000068465163 1071559713 /nfs/dbraw/zinc/55/97/13/1071559713.db2.gz AGEWRNVQNNTKRJ-XOBRGWDASA-N 1 2 399.451 -0.554 20 0 GBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000068465164 1071559685 /nfs/dbraw/zinc/55/96/85/1071559685.db2.gz AGEWRNVQNNTKRJ-VBKZILBWSA-N 1 2 399.451 -0.554 20 0 GBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000068465164 1071559680 /nfs/dbraw/zinc/55/96/80/1071559680.db2.gz AGEWRNVQNNTKRJ-VBKZILBWSA-N 1 2 399.451 -0.554 20 0 GBADLO CC(C)CCS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000068479560 530128882 /nfs/dbraw/zinc/12/88/82/530128882.db2.gz XXKNPGPPLSATHJ-UHFFFAOYSA-N 1 2 382.552 -0.528 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000068505564 1071560345 /nfs/dbraw/zinc/56/03/45/1071560345.db2.gz WTLJRHGDVUYGCT-CYBMUJFWSA-N 1 2 398.572 -0.468 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000068505569 1071560095 /nfs/dbraw/zinc/56/00/95/1071560095.db2.gz WTLJRHGDVUYGCT-ZDUSSCGKSA-N 1 2 398.572 -0.468 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000068505725 1071560599 /nfs/dbraw/zinc/56/05/99/1071560599.db2.gz LYKDEOJPVPNSSF-UHFFFAOYSA-N 1 2 395.547 -0.717 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000068505901 1071560117 /nfs/dbraw/zinc/56/01/17/1071560117.db2.gz BPPPSSWJZAPRID-ZDUSSCGKSA-N 1 2 395.547 -0.717 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000068505948 637561108 /nfs/dbraw/zinc/56/11/08/637561108.db2.gz RCCVVTXCHFYZTK-AWEZNQCLSA-N 1 2 395.547 -0.574 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000068505952 637561163 /nfs/dbraw/zinc/56/11/63/637561163.db2.gz RCCVVTXCHFYZTK-CQSZACIVSA-N 1 2 395.547 -0.574 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCC(=O)N2CCOCC2)CC1 ZINC000068506000 1071560683 /nfs/dbraw/zinc/56/06/83/1071560683.db2.gz OZOLERSEYAGBDQ-UHFFFAOYSA-N 1 2 375.491 -0.749 20 0 GBADLO C[C@H](Sc1nncn1C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000068506390 1071560695 /nfs/dbraw/zinc/56/06/95/1071560695.db2.gz CWAMDKIOQBJZNT-NSHDSACASA-N 1 2 375.520 -0.079 20 0 GBADLO C[C@@H](Sc1nncn1C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000068506393 1071560178 /nfs/dbraw/zinc/56/01/78/1071560178.db2.gz CWAMDKIOQBJZNT-LLVKDONJSA-N 1 2 375.520 -0.079 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)o1 ZINC000068506462 1071560551 /nfs/dbraw/zinc/56/05/51/1071560551.db2.gz RCRBGQPLAVLIEJ-UHFFFAOYSA-N 1 2 393.487 -0.574 20 0 GBADLO CCC(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000068506703 637560990 /nfs/dbraw/zinc/56/09/90/637560990.db2.gz TWHCZVPVYHKFMY-CYBMUJFWSA-N 1 2 377.532 -0.077 20 0 GBADLO CCC(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000068506706 637561136 /nfs/dbraw/zinc/56/11/36/637561136.db2.gz TWHCZVPVYHKFMY-ZDUSSCGKSA-N 1 2 377.532 -0.077 20 0 GBADLO COCCN1C[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000068506887 637561096 /nfs/dbraw/zinc/56/10/96/637561096.db2.gz WFDGPWLVVHLWEN-CYBMUJFWSA-N 1 2 375.491 -0.894 20 0 GBADLO COCCN1C[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000068506889 637561150 /nfs/dbraw/zinc/56/11/50/637561150.db2.gz WFDGPWLVVHLWEN-ZDUSSCGKSA-N 1 2 375.491 -0.894 20 0 GBADLO COCCn1nc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1=O ZINC000068506924 1071560648 /nfs/dbraw/zinc/56/06/48/1071560648.db2.gz SBTZFIPDXIIAOE-UHFFFAOYSA-N 1 2 386.474 -0.872 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CSc2nnnn2C2CC2)CC1 ZINC000068507049 1071560407 /nfs/dbraw/zinc/56/04/07/1071560407.db2.gz MHMBAFBTLPOLIO-UHFFFAOYSA-N 1 2 388.519 -0.275 20 0 GBADLO C[C@@H](C(=O)N(C)CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)n1cccn1 ZINC000068507509 1071560620 /nfs/dbraw/zinc/56/06/20/1071560620.db2.gz AUTGUFCUFWAAMN-AWEZNQCLSA-N 1 2 399.517 -0.472 20 0 GBADLO C[C@H](C(=O)N(C)CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)n1cccn1 ZINC000068507512 1071560076 /nfs/dbraw/zinc/56/00/76/1071560076.db2.gz AUTGUFCUFWAAMN-CQSZACIVSA-N 1 2 399.517 -0.472 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000068507588 1071560222 /nfs/dbraw/zinc/56/02/22/1071560222.db2.gz CBNPUDZKTGEOAW-ZDUSSCGKSA-N 1 2 381.520 -0.964 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000068507591 1071560669 /nfs/dbraw/zinc/56/06/69/1071560669.db2.gz CBNPUDZKTGEOAW-CYBMUJFWSA-N 1 2 381.520 -0.964 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000068507842 1071560334 /nfs/dbraw/zinc/56/03/34/1071560334.db2.gz VZPKMRAFBNXZBQ-UHFFFAOYSA-N 1 2 383.470 -0.211 20 0 GBADLO CN1CC(=O)N(CCCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1=O ZINC000068508350 1071560053 /nfs/dbraw/zinc/56/00/53/1071560053.db2.gz SWSVLQQBTLXURT-UHFFFAOYSA-N 1 2 388.490 -0.714 20 0 GBADLO CCS(=O)(=O)NCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000068807900 530129535 /nfs/dbraw/zinc/12/95/35/530129535.db2.gz PGWSKKUKXGXOSI-UHFFFAOYSA-N 1 2 376.504 -0.605 20 0 GBADLO CCS(=O)(=O)NCC[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000068823630 530109506 /nfs/dbraw/zinc/10/95/06/530109506.db2.gz CAOLVERYRCTICZ-UHFFFAOYSA-N 1 2 390.531 -0.344 20 0 GBADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000068833389 530109669 /nfs/dbraw/zinc/10/96/69/530109669.db2.gz ADTLKNFSGRPVJH-HNNXBMFYSA-N 1 2 376.523 -0.867 20 0 GBADLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000068833389 530109668 /nfs/dbraw/zinc/10/96/68/530109668.db2.gz ADTLKNFSGRPVJH-HNNXBMFYSA-N 1 2 376.523 -0.867 20 0 GBADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000068833394 530109784 /nfs/dbraw/zinc/10/97/84/530109784.db2.gz ADTLKNFSGRPVJH-OAHLLOKOSA-N 1 2 376.523 -0.867 20 0 GBADLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000068833394 530109783 /nfs/dbraw/zinc/10/97/83/530109783.db2.gz ADTLKNFSGRPVJH-OAHLLOKOSA-N 1 2 376.523 -0.867 20 0 GBADLO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000068849813 1073377196 /nfs/dbraw/zinc/37/71/96/1073377196.db2.gz HLMUSYLJTXCQBT-KBPBESRZSA-N 1 2 392.508 -0.554 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000068945123 1072571765 /nfs/dbraw/zinc/57/17/65/1072571765.db2.gz ZBXYUGKGQIRARP-UHFFFAOYSA-N 1 2 393.473 -0.507 20 0 GBADLO CCNS(=O)(=O)CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000069082361 637561843 /nfs/dbraw/zinc/56/18/43/637561843.db2.gz OWOMOWKNIJURGW-CQSZACIVSA-N 1 2 380.536 -0.567 20 0 GBADLO CCNS(=O)(=O)CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000069082364 637561583 /nfs/dbraw/zinc/56/15/83/637561583.db2.gz OWOMOWKNIJURGW-AWEZNQCLSA-N 1 2 380.536 -0.567 20 0 GBADLO CC(C)(CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)NS(C)(=O)=O ZINC000069082455 530129376 /nfs/dbraw/zinc/12/93/76/530129376.db2.gz CAXWRKBHPGHXIJ-OAHLLOKOSA-N 1 2 394.563 -0.179 20 0 GBADLO CC(C)(CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)NS(C)(=O)=O ZINC000069082458 530129624 /nfs/dbraw/zinc/12/96/24/530129624.db2.gz CAXWRKBHPGHXIJ-HNNXBMFYSA-N 1 2 394.563 -0.179 20 0 GBADLO Cn1cnc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000069118609 1072205545 /nfs/dbraw/zinc/20/55/45/1072205545.db2.gz PETXDHWSGPEDKF-UHFFFAOYSA-N 1 2 378.458 -0.168 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2nccs2)CC1 ZINC000069141099 1072205266 /nfs/dbraw/zinc/20/52/66/1072205266.db2.gz LNMGQFJGOCTXTE-HNNXBMFYSA-N 1 2 393.513 -0.028 20 0 GBADLO O=C(NCc1ccc(-n2cncn2)nc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069262877 1072206218 /nfs/dbraw/zinc/20/62/18/1072206218.db2.gz QOOVTZJNIIVUTN-MRXNPFEDSA-N 1 2 399.455 -0.541 20 0 GBADLO CN(Cc1cccc(C(N)=O)c1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069269716 1072206230 /nfs/dbraw/zinc/20/62/30/1072206230.db2.gz PPHYNOMLDXTOJH-KRWDZBQOSA-N 1 2 388.468 -0.075 20 0 GBADLO C[C@H](NC(=O)NC1CCN(CCS(C)(=O)=O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000069441716 1072209408 /nfs/dbraw/zinc/20/94/08/1072209408.db2.gz WDVFALIVIFAYQM-GJZGRUSLSA-N 1 2 390.550 -0.096 20 0 GBADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069794290 530206426 /nfs/dbraw/zinc/20/64/26/530206426.db2.gz IVWVSPWYWMUPPE-UONOGXRCSA-N 1 2 375.491 -0.941 20 0 GBADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069794292 530206306 /nfs/dbraw/zinc/20/63/06/530206306.db2.gz IVWVSPWYWMUPPE-ZIAGYGMSSA-N 1 2 375.491 -0.941 20 0 GBADLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069794296 530206275 /nfs/dbraw/zinc/20/62/75/530206275.db2.gz IVWVSPWYWMUPPE-KBPBESRZSA-N 1 2 375.491 -0.941 20 0 GBADLO C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069794300 530206405 /nfs/dbraw/zinc/20/64/05/530206405.db2.gz IVWVSPWYWMUPPE-KGLIPLIRSA-N 1 2 375.491 -0.941 20 0 GBADLO CCS(=O)(=O)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000069823262 1072577729 /nfs/dbraw/zinc/57/77/29/1072577729.db2.gz HMHAISMWMUDKQG-UHFFFAOYSA-N 1 2 397.501 -0.146 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CSCC(N)=O)c2)CC1 ZINC000070896553 530110000 /nfs/dbraw/zinc/11/00/00/530110000.db2.gz ILBFRSNVFYUMSE-UHFFFAOYSA-N 1 2 386.499 -0.220 20 0 GBADLO COCCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000071120899 530477971 /nfs/dbraw/zinc/47/79/71/530477971.db2.gz RERGGVDVYIIZFL-SNVBAGLBSA-N 1 2 389.396 -0.100 20 0 GBADLO COCCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000071120899 530477969 /nfs/dbraw/zinc/47/79/69/530477969.db2.gz RERGGVDVYIIZFL-SNVBAGLBSA-N 1 2 389.396 -0.100 20 0 GBADLO COCCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000071120902 530109872 /nfs/dbraw/zinc/10/98/72/530109872.db2.gz RERGGVDVYIIZFL-JTQLQIEISA-N 1 2 389.396 -0.100 20 0 GBADLO COCCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000071120902 530109870 /nfs/dbraw/zinc/10/98/70/530109870.db2.gz RERGGVDVYIIZFL-JTQLQIEISA-N 1 2 389.396 -0.100 20 0 GBADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000074161328 1073171322 /nfs/dbraw/zinc/17/13/22/1073171322.db2.gz HVNYRUKEAGJWLN-OAHLLOKOSA-N 1 2 377.489 -0.397 20 0 GBADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000074161332 1073171362 /nfs/dbraw/zinc/17/13/62/1073171362.db2.gz HVNYRUKEAGJWLN-HNNXBMFYSA-N 1 2 377.489 -0.397 20 0 GBADLO O=C(C[NH+]1CCC(CO)CC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000076652287 1071645472 /nfs/dbraw/zinc/64/54/72/1071645472.db2.gz PXJZXBRGDCXEBV-UHFFFAOYSA-N 1 2 376.505 -0.191 20 0 GBADLO CCn1nc2c(cc1=O)CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC2 ZINC000078613585 1072408803 /nfs/dbraw/zinc/40/88/03/1072408803.db2.gz CNBFFJVXSLIHSQ-UHFFFAOYSA-N 1 2 377.489 -0.152 20 0 GBADLO CC(C)C(=O)N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000078719239 1072411077 /nfs/dbraw/zinc/41/10/77/1072411077.db2.gz FJGZEGAPAJYOFV-UHFFFAOYSA-N 1 2 376.461 -0.376 20 0 GBADLO CN(CC(=O)NCCN1CCc2ccccc21)C[C@H](O)C[NH+]1CCOCC1 ZINC000083245304 1072552341 /nfs/dbraw/zinc/55/23/41/1072552341.db2.gz NZBVSIFRPCHYET-SFHVURJKSA-N 1 2 376.501 -0.210 20 0 GBADLO CN(CC(=O)NCCN1CCc2ccccc21)C[C@@H](O)C[NH+]1CCOCC1 ZINC000083245308 1072552694 /nfs/dbraw/zinc/55/26/94/1072552694.db2.gz NZBVSIFRPCHYET-GOSISDBHSA-N 1 2 376.501 -0.210 20 0 GBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000090698651 1072233878 /nfs/dbraw/zinc/23/38/78/1072233878.db2.gz CPHIXEMEFQRZIQ-MRXNPFEDSA-N 1 2 394.497 -0.563 20 0 GBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000090698652 1072233742 /nfs/dbraw/zinc/23/37/42/1072233742.db2.gz CPHIXEMEFQRZIQ-INIZCTEOSA-N 1 2 394.497 -0.563 20 0 GBADLO CN(C)c1ncc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000091811766 530113093 /nfs/dbraw/zinc/11/30/93/530113093.db2.gz OCLNVMKLQQIZRK-UHFFFAOYSA-N 1 2 388.563 -0.181 20 0 GBADLO O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000097513143 1072277107 /nfs/dbraw/zinc/27/71/07/1072277107.db2.gz LKQHQTWFDVUMFJ-UHFFFAOYSA-N 1 2 380.412 -0.098 20 0 GBADLO Cn1c2[nH]c(C[N@H+]3CCC[C@H](c4nnc5n4CCC5)C3)nc2c(=O)n(C)c1=O ZINC000103466731 1073472962 /nfs/dbraw/zinc/47/29/62/1073472962.db2.gz LHIYBYBNEPGYDP-NSHDSACASA-N 1 2 384.444 -0.122 20 0 GBADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@H](c4nnc5n4CCC5)C3)nc2c(=O)n(C)c1=O ZINC000103466731 1073472959 /nfs/dbraw/zinc/47/29/59/1073472959.db2.gz LHIYBYBNEPGYDP-NSHDSACASA-N 1 2 384.444 -0.122 20 0 GBADLO Cn1c2[nH]c(C[N@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)nc2c(=O)n(C)c1=O ZINC000103466732 1073474366 /nfs/dbraw/zinc/47/43/66/1073474366.db2.gz LHIYBYBNEPGYDP-LLVKDONJSA-N 1 2 384.444 -0.122 20 0 GBADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)nc2c(=O)n(C)c1=O ZINC000103466732 1073474365 /nfs/dbraw/zinc/47/43/65/1073474365.db2.gz LHIYBYBNEPGYDP-LLVKDONJSA-N 1 2 384.444 -0.122 20 0 GBADLO C[C@H]([C@H](C)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[NH+]1CCOCC1 ZINC000104593211 530103395 /nfs/dbraw/zinc/10/33/95/530103395.db2.gz TVYHAMVWUWUYOF-VHSXEESVSA-N 1 2 389.250 -0.476 20 0 GBADLO C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@@H](C)[NH+]1CCOCC1 ZINC000104593215 530103493 /nfs/dbraw/zinc/10/34/93/530103493.db2.gz TVYHAMVWUWUYOF-NXEZZACHSA-N 1 2 389.250 -0.476 20 0 GBADLO C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H](C)[NH+]1CCOCC1 ZINC000104593216 530103472 /nfs/dbraw/zinc/10/34/72/530103472.db2.gz TVYHAMVWUWUYOF-UWVGGRQHSA-N 1 2 389.250 -0.476 20 0 GBADLO C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H](C)[NH+]1CCOCC1 ZINC000104593220 530103523 /nfs/dbraw/zinc/10/35/23/530103523.db2.gz TVYHAMVWUWUYOF-ZJUUUORDSA-N 1 2 389.250 -0.476 20 0 GBADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000105524136 638056064 /nfs/dbraw/zinc/05/60/64/638056064.db2.gz NRWKNGZLUSWUEE-HOTGVXAUSA-N 1 2 379.523 -0.253 20 0 GBADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000105524139 638055949 /nfs/dbraw/zinc/05/59/49/638055949.db2.gz NRWKNGZLUSWUEE-CVEARBPZSA-N 1 2 379.523 -0.253 20 0 GBADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000105524142 638056198 /nfs/dbraw/zinc/05/61/98/638056198.db2.gz NRWKNGZLUSWUEE-JKSUJKDBSA-N 1 2 379.523 -0.253 20 0 GBADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000105524143 638055901 /nfs/dbraw/zinc/05/59/01/638055901.db2.gz NRWKNGZLUSWUEE-HZPDHXFCSA-N 1 2 379.523 -0.253 20 0 GBADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000105548723 530282321 /nfs/dbraw/zinc/28/23/21/530282321.db2.gz UTHULFXCDKMDDI-CYBMUJFWSA-N 1 2 391.515 -0.031 20 0 GBADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000105548723 530282320 /nfs/dbraw/zinc/28/23/20/530282320.db2.gz UTHULFXCDKMDDI-CYBMUJFWSA-N 1 2 391.515 -0.031 20 0 GBADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000105548727 530282293 /nfs/dbraw/zinc/28/22/93/530282293.db2.gz UTHULFXCDKMDDI-ZDUSSCGKSA-N 1 2 391.515 -0.031 20 0 GBADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000105548727 530282292 /nfs/dbraw/zinc/28/22/92/530282292.db2.gz UTHULFXCDKMDDI-ZDUSSCGKSA-N 1 2 391.515 -0.031 20 0 GBADLO CC(C)[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000105626712 530282426 /nfs/dbraw/zinc/28/24/26/530282426.db2.gz SWWXCHLTMJPPAW-OAHLLOKOSA-N 1 2 391.515 -0.031 20 0 GBADLO CC(C)[C@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000105626716 530300179 /nfs/dbraw/zinc/30/01/79/530300179.db2.gz SWWXCHLTMJPPAW-HNNXBMFYSA-N 1 2 391.515 -0.031 20 0 GBADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@H](C)O1 ZINC000105764914 1073519385 /nfs/dbraw/zinc/51/93/85/1073519385.db2.gz AHXVZGXJERDFEB-TXEJJXNPSA-N 1 2 396.469 -0.006 20 0 GBADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@H](C)O1 ZINC000105764914 1073519378 /nfs/dbraw/zinc/51/93/78/1073519378.db2.gz AHXVZGXJERDFEB-TXEJJXNPSA-N 1 2 396.469 -0.006 20 0 GBADLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@H](C)O1 ZINC000105764916 1073519395 /nfs/dbraw/zinc/51/93/95/1073519395.db2.gz AHXVZGXJERDFEB-RYUDHWBXSA-N 1 2 396.469 -0.006 20 0 GBADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@@H](C)O1 ZINC000105764919 1073519413 /nfs/dbraw/zinc/51/94/13/1073519413.db2.gz AHXVZGXJERDFEB-VXGBXAGGSA-N 1 2 396.469 -0.006 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2ccc(NCCCNS(C)(=O)=O)nc2)CC1 ZINC000105802444 530359217 /nfs/dbraw/zinc/35/92/17/530359217.db2.gz YWQLDMBZYHUTDK-UHFFFAOYSA-N 1 2 391.519 -0.631 20 0 GBADLO Cn1c(=O)c2ccc(C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2n(C)c1=O ZINC000105872991 1073333224 /nfs/dbraw/zinc/33/32/24/1073333224.db2.gz HVDYOKCJODUOTF-ZDUSSCGKSA-N 1 2 387.440 -0.431 20 0 GBADLO Cn1c(=O)c2ccc(C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)nc2n(C)c1=O ZINC000105872993 1073333155 /nfs/dbraw/zinc/33/31/55/1073333155.db2.gz HVDYOKCJODUOTF-CYBMUJFWSA-N 1 2 387.440 -0.431 20 0 GBADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c(=O)[nH]c1=O ZINC000106180308 1073929281 /nfs/dbraw/zinc/92/92/81/1073929281.db2.gz LIJSPHXOLBRZLA-ZDUSSCGKSA-N 1 2 389.460 -0.058 20 0 GBADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c(=O)[nH]c1=O ZINC000106180308 1073929270 /nfs/dbraw/zinc/92/92/70/1073929270.db2.gz LIJSPHXOLBRZLA-ZDUSSCGKSA-N 1 2 389.460 -0.058 20 0 GBADLO Cc1cnn(C[C@H]2C[N@@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)c1 ZINC000106197396 1072306175 /nfs/dbraw/zinc/30/61/75/1072306175.db2.gz NUBRGDZRSOSMGJ-CQSZACIVSA-N 1 2 387.444 -0.660 20 0 GBADLO Cc1cnn(C[C@H]2C[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CCO2)c1 ZINC000106197396 1072306169 /nfs/dbraw/zinc/30/61/69/1072306169.db2.gz NUBRGDZRSOSMGJ-CQSZACIVSA-N 1 2 387.444 -0.660 20 0 GBADLO CCCCN(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000106265863 530152795 /nfs/dbraw/zinc/15/27/95/530152795.db2.gz JFHDQICEWONDIV-UHFFFAOYSA-N 1 2 397.567 -0.927 20 0 GBADLO Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(O)c1 ZINC000106270590 1073367370 /nfs/dbraw/zinc/36/73/70/1073367370.db2.gz BWARFAYHXPSJLS-UHFFFAOYSA-N 1 2 382.486 -0.049 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000106584104 1073374339 /nfs/dbraw/zinc/37/43/39/1073374339.db2.gz AVOSJMBDXSQSAD-SFHVURJKSA-N 1 2 394.564 -0.038 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000106584105 1073374183 /nfs/dbraw/zinc/37/41/83/1073374183.db2.gz AVOSJMBDXSQSAD-GOSISDBHSA-N 1 2 394.564 -0.038 20 0 GBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)C2)CC1 ZINC000106801253 1073929410 /nfs/dbraw/zinc/92/94/10/1073929410.db2.gz KEIWLJHCXIMQQX-OAHLLOKOSA-N 1 2 385.468 -0.072 20 0 GBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)C2)CC1 ZINC000106801256 1073929481 /nfs/dbraw/zinc/92/94/81/1073929481.db2.gz KEIWLJHCXIMQQX-HNNXBMFYSA-N 1 2 385.468 -0.072 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)COCC(F)(F)F)CC2)CC1 ZINC000107581024 530104018 /nfs/dbraw/zinc/10/40/18/530104018.db2.gz UVAHPINYAXSLFS-UHFFFAOYSA-N 1 2 388.412 -0.798 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000107773499 530103770 /nfs/dbraw/zinc/10/37/70/530103770.db2.gz KKVYEJCVSLBYEB-LBPRGKRZSA-N 1 2 389.499 -0.006 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000107773500 530103715 /nfs/dbraw/zinc/10/37/15/530103715.db2.gz KKVYEJCVSLBYEB-GFCCVEGCSA-N 1 2 389.499 -0.006 20 0 GBADLO CC(=O)NCC1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000108141287 1072317579 /nfs/dbraw/zinc/31/75/79/1072317579.db2.gz RBFWBUYTGGVUCZ-UHFFFAOYSA-N 1 2 393.488 -0.184 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000109117292 1073930376 /nfs/dbraw/zinc/93/03/76/1073930376.db2.gz ZXLBZDAADPLUSB-GASCZTMLSA-N 1 2 378.473 -0.168 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000109117292 1073930374 /nfs/dbraw/zinc/93/03/74/1073930374.db2.gz ZXLBZDAADPLUSB-GASCZTMLSA-N 1 2 378.473 -0.168 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000109117295 1073930648 /nfs/dbraw/zinc/93/06/48/1073930648.db2.gz ZXLBZDAADPLUSB-GJZGRUSLSA-N 1 2 378.473 -0.168 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000109117295 1073930642 /nfs/dbraw/zinc/93/06/42/1073930642.db2.gz ZXLBZDAADPLUSB-GJZGRUSLSA-N 1 2 378.473 -0.168 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000109119294 1073930177 /nfs/dbraw/zinc/93/01/77/1073930177.db2.gz FGSYJGKNUIKKBP-UHFFFAOYSA-N 1 2 387.440 -0.640 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000109119294 1073930172 /nfs/dbraw/zinc/93/01/72/1073930172.db2.gz FGSYJGKNUIKKBP-UHFFFAOYSA-N 1 2 387.440 -0.640 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000109120155 530104866 /nfs/dbraw/zinc/10/48/66/530104866.db2.gz WRIRAXUETRRGCV-UHFFFAOYSA-N 1 2 388.515 -0.303 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000109120155 530104863 /nfs/dbraw/zinc/10/48/63/530104863.db2.gz WRIRAXUETRRGCV-UHFFFAOYSA-N 1 2 388.515 -0.303 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCCN(c2nccs2)CC1 ZINC000109150203 1072326900 /nfs/dbraw/zinc/32/69/00/1072326900.db2.gz SBYBPOVBIKVSLW-NSHDSACASA-N 1 2 392.485 -0.094 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000109150203 1072326889 /nfs/dbraw/zinc/32/68/89/1072326889.db2.gz SBYBPOVBIKVSLW-NSHDSACASA-N 1 2 392.485 -0.094 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCCN(c2nccs2)CC1 ZINC000109150205 1072327099 /nfs/dbraw/zinc/32/70/99/1072327099.db2.gz SBYBPOVBIKVSLW-LLVKDONJSA-N 1 2 392.485 -0.094 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000109150205 1072327096 /nfs/dbraw/zinc/32/70/96/1072327096.db2.gz SBYBPOVBIKVSLW-LLVKDONJSA-N 1 2 392.485 -0.094 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1)S(C)(=O)=O ZINC000112731197 530200488 /nfs/dbraw/zinc/20/04/88/530200488.db2.gz ODENZFFQLLRERW-UHFFFAOYSA-N 1 2 388.456 -0.046 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1)S(C)(=O)=O ZINC000112731197 530200485 /nfs/dbraw/zinc/20/04/85/530200485.db2.gz ODENZFFQLLRERW-UHFFFAOYSA-N 1 2 388.456 -0.046 20 0 GBADLO Cn1ccnc1CN1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000113253356 1073131169 /nfs/dbraw/zinc/13/11/69/1073131169.db2.gz GBFRMVXJVBSRHW-UHFFFAOYSA-N 1 2 378.521 -0.235 20 0 GBADLO CC(C)NC(=O)CN1CCN(CC[NH+]2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000114712925 1072061200 /nfs/dbraw/zinc/06/12/00/1072061200.db2.gz YSFSQFSJZOIIIC-UHFFFAOYSA-N 1 2 396.580 -0.729 20 0 GBADLO CS(=O)(=O)NCCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000115943656 1073332175 /nfs/dbraw/zinc/33/21/75/1073332175.db2.gz OUCDJEKJHVOIMD-UHFFFAOYSA-N 1 2 385.486 -0.047 20 0 GBADLO CN(CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000116280752 1073334257 /nfs/dbraw/zinc/33/42/57/1073334257.db2.gz HYJLAFLPMIPMBH-UHFFFAOYSA-N 1 2 383.474 -0.872 20 0 GBADLO O=C(CN1CSCC1=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000116281161 1072915999 /nfs/dbraw/zinc/91/59/99/1072915999.db2.gz SQUVNUHKQDUTKN-UHFFFAOYSA-N 1 2 377.470 -0.231 20 0 GBADLO Cn1nccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000116317834 1072917657 /nfs/dbraw/zinc/91/76/57/1072917657.db2.gz CVYHGSFMKNRQNI-UHFFFAOYSA-N 1 2 378.458 -0.303 20 0 GBADLO Cc1nc(S(=O)(=O)NCCC(=O)NCC(C)(C)[NH+]2CCOCC2)cn1C ZINC000116495212 1073868016 /nfs/dbraw/zinc/86/80/16/1073868016.db2.gz FLSDIVCJPIBOCV-UHFFFAOYSA-N 1 2 387.506 -0.376 20 0 GBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1C ZINC000116495455 1073868937 /nfs/dbraw/zinc/86/89/37/1073868937.db2.gz ALKYYCVCIASGMM-UHFFFAOYSA-N 1 2 378.458 -0.249 20 0 GBADLO CCOC(=O)c1ccc(N2CCC[N@@H+](CC(=O)N3CCNC(=O)C3)CC2)nc1 ZINC000116601905 1072385537 /nfs/dbraw/zinc/38/55/37/1072385537.db2.gz KGXFQXGBSRQKAU-UHFFFAOYSA-N 1 2 389.456 -0.271 20 0 GBADLO CCOC(=O)c1ccc(N2CCC[N@H+](CC(=O)N3CCNC(=O)C3)CC2)nc1 ZINC000116601905 1072385532 /nfs/dbraw/zinc/38/55/32/1072385532.db2.gz KGXFQXGBSRQKAU-UHFFFAOYSA-N 1 2 389.456 -0.271 20 0 GBADLO CN1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC1 ZINC000117397238 1072390375 /nfs/dbraw/zinc/39/03/75/1072390375.db2.gz VOLSWMRMIZKPBT-KRWDZBQOSA-N 1 2 398.529 -0.464 20 0 GBADLO CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CC1 ZINC000117397240 1072390493 /nfs/dbraw/zinc/39/04/93/1072390493.db2.gz VOLSWMRMIZKPBT-QGZVFWFLSA-N 1 2 398.529 -0.464 20 0 GBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000119457433 1073725427 /nfs/dbraw/zinc/72/54/27/1073725427.db2.gz NEFVSRGQIBOWEF-ZDUSSCGKSA-N 1 2 380.474 -0.087 20 0 GBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000119457560 1073725109 /nfs/dbraw/zinc/72/51/09/1073725109.db2.gz NEFVSRGQIBOWEF-CYBMUJFWSA-N 1 2 380.474 -0.087 20 0 GBADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000119529971 1073725285 /nfs/dbraw/zinc/72/52/85/1073725285.db2.gz AEAZEKJFVUCPGU-ZDUSSCGKSA-N 1 2 399.455 -0.352 20 0 GBADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000119530081 1073725143 /nfs/dbraw/zinc/72/51/43/1073725143.db2.gz AEAZEKJFVUCPGU-CYBMUJFWSA-N 1 2 399.455 -0.352 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(Cc3nccn3C(F)F)CC2)CC1 ZINC000120109746 530146931 /nfs/dbraw/zinc/14/69/31/530146931.db2.gz QOWOCGFWFVCOLW-UHFFFAOYSA-N 1 2 378.449 -0.112 20 0 GBADLO CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000120336187 1072407648 /nfs/dbraw/zinc/40/76/48/1072407648.db2.gz NCAFWFUXPJDSCU-QGZVFWFLSA-N 1 2 386.493 -0.031 20 0 GBADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000120370744 1073730485 /nfs/dbraw/zinc/73/04/85/1073730485.db2.gz STZVLBXMJSQVIT-ZDUSSCGKSA-N 1 2 399.455 -0.352 20 0 GBADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000120370893 1073730609 /nfs/dbraw/zinc/73/06/09/1073730609.db2.gz STZVLBXMJSQVIT-CYBMUJFWSA-N 1 2 399.455 -0.352 20 0 GBADLO CCCCn1c2nc(CN3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000121092928 1072284371 /nfs/dbraw/zinc/28/43/71/1072284371.db2.gz VIVUDUIGAKZWRY-CHWSQXEVSA-N 1 2 376.461 -0.262 20 0 GBADLO CCCCn1c2nc(CN3C[C@H]4OCC[N@H+](C)[C@@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000121092928 1072284362 /nfs/dbraw/zinc/28/43/62/1072284362.db2.gz VIVUDUIGAKZWRY-CHWSQXEVSA-N 1 2 376.461 -0.262 20 0 GBADLO CCCCn1c2nc(CN3C[C@H]4OCC[N@@H+](C)[C@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000121093088 1073934462 /nfs/dbraw/zinc/93/44/62/1073934462.db2.gz VIVUDUIGAKZWRY-QWHCGFSZSA-N 1 2 376.461 -0.262 20 0 GBADLO CCCCn1c2nc(CN3C[C@H]4OCC[N@H+](C)[C@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000121093088 1073934454 /nfs/dbraw/zinc/93/44/54/1073934454.db2.gz VIVUDUIGAKZWRY-QWHCGFSZSA-N 1 2 376.461 -0.262 20 0 GBADLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000122043784 1073939957 /nfs/dbraw/zinc/93/99/57/1073939957.db2.gz JMFAOKUKCUMGLU-LBPRGKRZSA-N 1 2 381.458 -0.539 20 0 GBADLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000122044024 1073940026 /nfs/dbraw/zinc/94/00/26/1073940026.db2.gz JMFAOKUKCUMGLU-GFCCVEGCSA-N 1 2 381.458 -0.539 20 0 GBADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000122487379 1072428180 /nfs/dbraw/zinc/42/81/80/1072428180.db2.gz FHWIEKBFOUETBR-AWEZNQCLSA-N 1 2 392.481 -0.021 20 0 GBADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000122487379 1072428176 /nfs/dbraw/zinc/42/81/76/1072428176.db2.gz FHWIEKBFOUETBR-AWEZNQCLSA-N 1 2 392.481 -0.021 20 0 GBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000123238701 1072433580 /nfs/dbraw/zinc/43/35/80/1072433580.db2.gz BUBJRFCAPXWNMW-ZDUSSCGKSA-N 1 2 382.486 -0.046 20 0 GBADLO Cn1c2ncn(CC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c2c(=O)n(C)c1=O ZINC000125572330 1073494804 /nfs/dbraw/zinc/49/48/04/1073494804.db2.gz ZEAYKKDBQDNOJM-UHFFFAOYSA-N 1 2 393.407 -0.064 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000125815652 1072074204 /nfs/dbraw/zinc/07/42/04/1072074204.db2.gz KGDBMEUJRHXNGZ-UHFFFAOYSA-N 1 2 378.477 -0.558 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000125815652 1072074195 /nfs/dbraw/zinc/07/41/95/1072074195.db2.gz KGDBMEUJRHXNGZ-UHFFFAOYSA-N 1 2 378.477 -0.558 20 0 GBADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000126186255 1072454682 /nfs/dbraw/zinc/45/46/82/1072454682.db2.gz JQYSYYZKBDEIMF-JGTBNHKDSA-N 1 2 393.517 -0.289 20 0 GBADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000126186255 1072454679 /nfs/dbraw/zinc/45/46/79/1072454679.db2.gz JQYSYYZKBDEIMF-JGTBNHKDSA-N 1 2 393.517 -0.289 20 0 GBADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000126186442 1072454873 /nfs/dbraw/zinc/45/48/73/1072454873.db2.gz JQYSYYZKBDEIMF-PFUSGODGSA-N 1 2 393.517 -0.289 20 0 GBADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000126186442 1072454866 /nfs/dbraw/zinc/45/48/66/1072454866.db2.gz JQYSYYZKBDEIMF-PFUSGODGSA-N 1 2 393.517 -0.289 20 0 GBADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000126186601 1072454672 /nfs/dbraw/zinc/45/46/72/1072454672.db2.gz JQYSYYZKBDEIMF-CEXHIMGSSA-N 1 2 393.517 -0.289 20 0 GBADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000126186601 1072454671 /nfs/dbraw/zinc/45/46/71/1072454671.db2.gz JQYSYYZKBDEIMF-CEXHIMGSSA-N 1 2 393.517 -0.289 20 0 GBADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000126186809 1072454663 /nfs/dbraw/zinc/45/46/63/1072454663.db2.gz JQYSYYZKBDEIMF-QWVSSGJLSA-N 1 2 393.517 -0.289 20 0 GBADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000126186809 1072454660 /nfs/dbraw/zinc/45/46/60/1072454660.db2.gz JQYSYYZKBDEIMF-QWVSSGJLSA-N 1 2 393.517 -0.289 20 0 GBADLO Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000126365077 1073941590 /nfs/dbraw/zinc/94/15/90/1073941590.db2.gz CTIUUSLLCLPCHR-MRXNPFEDSA-N 1 2 377.489 -0.124 20 0 GBADLO Cc1nn(C)c(C)c1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000126365307 1073941965 /nfs/dbraw/zinc/94/19/65/1073941965.db2.gz CTIUUSLLCLPCHR-INIZCTEOSA-N 1 2 377.489 -0.124 20 0 GBADLO C[C@@H](C(=O)N1CCN(C(=O)CO)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000128772379 1073171423 /nfs/dbraw/zinc/17/14/23/1073171423.db2.gz CHDLMXDFPHFTDU-HNNXBMFYSA-N 1 2 378.448 -0.001 20 0 GBADLO C[C@H](C(=O)N1CCN(C(=O)CO)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000128772581 1073171479 /nfs/dbraw/zinc/17/14/79/1073171479.db2.gz CHDLMXDFPHFTDU-OAHLLOKOSA-N 1 2 378.448 -0.001 20 0 GBADLO O=C(Cn1cc(Br)ccc1=O)N(CCO)CC[NH+]1CCOCC1 ZINC000130270714 530102102 /nfs/dbraw/zinc/10/21/02/530102102.db2.gz JWNPIXALCQWQOZ-UHFFFAOYSA-N 1 2 388.262 -0.236 20 0 GBADLO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000139011632 1072568078 /nfs/dbraw/zinc/56/80/78/1072568078.db2.gz LNPBTOOQBWYMGZ-ZDUSSCGKSA-N 1 2 381.458 -0.238 20 0 GBADLO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000139011632 1072568070 /nfs/dbraw/zinc/56/80/70/1072568070.db2.gz LNPBTOOQBWYMGZ-ZDUSSCGKSA-N 1 2 381.458 -0.238 20 0 GBADLO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000139011759 1072567329 /nfs/dbraw/zinc/56/73/29/1072567329.db2.gz LNPBTOOQBWYMGZ-CYBMUJFWSA-N 1 2 381.458 -0.238 20 0 GBADLO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000139011759 1072567322 /nfs/dbraw/zinc/56/73/22/1072567322.db2.gz LNPBTOOQBWYMGZ-CYBMUJFWSA-N 1 2 381.458 -0.238 20 0 GBADLO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000139012145 1072323604 /nfs/dbraw/zinc/32/36/04/1072323604.db2.gz GNDHWBPPSQZEPO-ZDUSSCGKSA-N 1 2 381.458 -0.238 20 0 GBADLO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000139012145 1072323597 /nfs/dbraw/zinc/32/35/97/1072323597.db2.gz GNDHWBPPSQZEPO-ZDUSSCGKSA-N 1 2 381.458 -0.238 20 0 GBADLO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000139012269 1072323145 /nfs/dbraw/zinc/32/31/45/1072323145.db2.gz GNDHWBPPSQZEPO-CYBMUJFWSA-N 1 2 381.458 -0.238 20 0 GBADLO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000139012269 1072323141 /nfs/dbraw/zinc/32/31/41/1072323141.db2.gz GNDHWBPPSQZEPO-CYBMUJFWSA-N 1 2 381.458 -0.238 20 0 GBADLO CCc1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000139750027 530113860 /nfs/dbraw/zinc/11/38/60/530113860.db2.gz ZIPGQVVSSKIDEP-UHFFFAOYSA-N 1 2 387.531 -0.045 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000139862769 1072594240 /nfs/dbraw/zinc/59/42/40/1072594240.db2.gz FVPISQNBCFSJHF-AWEZNQCLSA-N 1 2 385.486 -0.049 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000139862902 1072594272 /nfs/dbraw/zinc/59/42/72/1072594272.db2.gz FVPISQNBCFSJHF-CQSZACIVSA-N 1 2 385.486 -0.049 20 0 GBADLO CN1CC(=O)N(CC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1=O ZINC000139890988 1072594033 /nfs/dbraw/zinc/59/40/33/1072594033.db2.gz PHRWBTDBJBDESW-UHFFFAOYSA-N 1 2 390.440 -0.092 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c2)CC1 ZINC000142272598 1072570073 /nfs/dbraw/zinc/57/00/73/1072570073.db2.gz MNRYGAOWLDRJSU-UHFFFAOYSA-N 1 2 397.501 -0.962 20 0 GBADLO O=C(NCCN1CCCS1(=O)=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000142568163 530113649 /nfs/dbraw/zinc/11/36/49/530113649.db2.gz AGTAFJDIWFWUNR-OAHLLOKOSA-N 1 2 392.547 -0.471 20 0 GBADLO CNC(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000144867335 1072626431 /nfs/dbraw/zinc/62/64/31/1072626431.db2.gz HFYNMBMHWFFROJ-QGZVFWFLSA-N 1 2 388.468 -0.157 20 0 GBADLO CNC(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000144867540 1072626269 /nfs/dbraw/zinc/62/62/69/1072626269.db2.gz HFYNMBMHWFFROJ-KRWDZBQOSA-N 1 2 388.468 -0.157 20 0 GBADLO CC(C)OCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000145169346 1072295128 /nfs/dbraw/zinc/29/51/28/1072295128.db2.gz UPWYYEIUKMREMU-UHFFFAOYSA-N 1 2 376.417 -0.020 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000145506827 1072637006 /nfs/dbraw/zinc/63/70/06/1072637006.db2.gz BLTFFWSDFNCVTF-UHFFFAOYSA-N 1 2 379.446 -0.849 20 0 GBADLO NC(=O)C[N@H+]1CCCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000145865533 1072326392 /nfs/dbraw/zinc/32/63/92/1072326392.db2.gz MGYCYLYPVDJWHE-UHFFFAOYSA-N 1 2 380.470 -0.140 20 0 GBADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000145865533 1072326386 /nfs/dbraw/zinc/32/63/86/1072326386.db2.gz MGYCYLYPVDJWHE-UHFFFAOYSA-N 1 2 380.470 -0.140 20 0 GBADLO NC(=O)c1ccc(OCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000147285454 1072570883 /nfs/dbraw/zinc/57/08/83/1072570883.db2.gz OTYYMPBJPGPENX-UHFFFAOYSA-N 1 2 384.440 -0.107 20 0 GBADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000149835538 530118070 /nfs/dbraw/zinc/11/80/70/530118070.db2.gz WDRGTGPDEWMRSF-UHFFFAOYSA-N 1 2 388.877 -0.119 20 0 GBADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000149835538 530118068 /nfs/dbraw/zinc/11/80/68/530118068.db2.gz WDRGTGPDEWMRSF-UHFFFAOYSA-N 1 2 388.877 -0.119 20 0 GBADLO NC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000149836770 1072571752 /nfs/dbraw/zinc/57/17/52/1072571752.db2.gz CLKNRSRAABBLOU-RIYZIHGNSA-N 1 2 394.497 -0.014 20 0 GBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000149836770 1072571742 /nfs/dbraw/zinc/57/17/42/1072571742.db2.gz CLKNRSRAABBLOU-RIYZIHGNSA-N 1 2 394.497 -0.014 20 0 GBADLO NC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000149839134 1072572042 /nfs/dbraw/zinc/57/20/42/1072572042.db2.gz VOOKUMXQYFCSNY-UHFFFAOYSA-N 1 2 386.449 -0.486 20 0 GBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000149839134 1072572036 /nfs/dbraw/zinc/57/20/36/1072572036.db2.gz VOOKUMXQYFCSNY-UHFFFAOYSA-N 1 2 386.449 -0.486 20 0 GBADLO COc1ccc(C(=O)NCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1OC ZINC000149850971 1072571669 /nfs/dbraw/zinc/57/16/69/1072571669.db2.gz GXFLNCHMYDYZSN-UHFFFAOYSA-N 1 2 378.429 -0.547 20 0 GBADLO COc1ccc(C(=O)NCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1OC ZINC000149850971 1072571653 /nfs/dbraw/zinc/57/16/53/1072571653.db2.gz GXFLNCHMYDYZSN-UHFFFAOYSA-N 1 2 378.429 -0.547 20 0 GBADLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)C2=O ZINC000149884456 1072571959 /nfs/dbraw/zinc/57/19/59/1072571959.db2.gz KPINFXBIHNGIMA-ACJLOTCBSA-N 1 2 379.461 -0.493 20 0 GBADLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[N@H+](CC(N)=O)CC1)C2=O ZINC000149884456 1072571952 /nfs/dbraw/zinc/57/19/52/1072571952.db2.gz KPINFXBIHNGIMA-ACJLOTCBSA-N 1 2 379.461 -0.493 20 0 GBADLO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)C2=O ZINC000149884660 1072572089 /nfs/dbraw/zinc/57/20/89/1072572089.db2.gz KPINFXBIHNGIMA-UGSOOPFHSA-N 1 2 379.461 -0.493 20 0 GBADLO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[N@H+](CC(N)=O)CC1)C2=O ZINC000149884660 1072572080 /nfs/dbraw/zinc/57/20/80/1072572080.db2.gz KPINFXBIHNGIMA-UGSOOPFHSA-N 1 2 379.461 -0.493 20 0 GBADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)C2=O ZINC000149884845 1072571518 /nfs/dbraw/zinc/57/15/18/1072571518.db2.gz KPINFXBIHNGIMA-FZKQIMNGSA-N 1 2 379.461 -0.493 20 0 GBADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[N@H+](CC(N)=O)CC1)C2=O ZINC000149884845 1072571499 /nfs/dbraw/zinc/57/14/99/1072571499.db2.gz KPINFXBIHNGIMA-FZKQIMNGSA-N 1 2 379.461 -0.493 20 0 GBADLO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)C2=O ZINC000149885054 1072571989 /nfs/dbraw/zinc/57/19/89/1072571989.db2.gz KPINFXBIHNGIMA-SCLBCKFNSA-N 1 2 379.461 -0.493 20 0 GBADLO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[N@H+](CC(N)=O)CC1)C2=O ZINC000149885054 1072571982 /nfs/dbraw/zinc/57/19/82/1072571982.db2.gz KPINFXBIHNGIMA-SCLBCKFNSA-N 1 2 379.461 -0.493 20 0 GBADLO C[C@H](O)C(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000152773816 1072604895 /nfs/dbraw/zinc/60/48/95/1072604895.db2.gz ZJDBQTWBTFENON-HNNXBMFYSA-N 1 2 380.514 -0.083 20 0 GBADLO C[C@@H](O)C(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000152773923 1072604776 /nfs/dbraw/zinc/60/47/76/1072604776.db2.gz ZJDBQTWBTFENON-OAHLLOKOSA-N 1 2 380.514 -0.083 20 0 GBADLO CCS(=O)(=O)NCC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000154097494 530120817 /nfs/dbraw/zinc/12/08/17/530120817.db2.gz IVLCWLZODCFOHX-UHFFFAOYSA-N 1 2 385.515 -0.187 20 0 GBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000154568008 1072442533 /nfs/dbraw/zinc/44/25/33/1072442533.db2.gz IBRABZSZJUZZOE-LBPRGKRZSA-N 1 2 380.474 -0.021 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000154568099 1072442299 /nfs/dbraw/zinc/44/22/99/1072442299.db2.gz IBRABZSZJUZZOE-GFCCVEGCSA-N 1 2 380.474 -0.021 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(Cn3ccnn3)CC2)c(=O)[nH]c1=O ZINC000155731427 1072458247 /nfs/dbraw/zinc/45/82/47/1072458247.db2.gz ZNPYEVNEGVXYIY-UHFFFAOYSA-N 1 2 389.460 -0.039 20 0 GBADLO Cc1c(Cl)cnn1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000156517034 637478509 /nfs/dbraw/zinc/47/85/09/637478509.db2.gz DWQRDOUEARFWDI-UHFFFAOYSA-N 1 2 376.914 -0.088 20 0 GBADLO Cn1cnc2c1c(=O)n(CCC[N@@H+](CCS(C)(=O)=O)C1CC1)c(=O)n2C ZINC000156706427 1072291070 /nfs/dbraw/zinc/29/10/70/1072291070.db2.gz RGAGIHYMMDBDPX-UHFFFAOYSA-N 1 2 383.474 -0.667 20 0 GBADLO Cn1cnc2c1c(=O)n(CCC[N@H+](CCS(C)(=O)=O)C1CC1)c(=O)n2C ZINC000156706427 1072291064 /nfs/dbraw/zinc/29/10/64/1072291064.db2.gz RGAGIHYMMDBDPX-UHFFFAOYSA-N 1 2 383.474 -0.667 20 0 GBADLO O=C(C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000170404735 1073897849 /nfs/dbraw/zinc/89/78/49/1073897849.db2.gz RQUXHWUKMOFYFS-UHFFFAOYSA-N 1 2 381.440 -0.131 20 0 GBADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(=O)[nH]c1=O ZINC000170643380 1073842477 /nfs/dbraw/zinc/84/24/77/1073842477.db2.gz IDMBBKARVXTCHL-NSHDSACASA-N 1 2 387.444 -0.261 20 0 GBADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(=O)[nH]c1=O ZINC000170643380 1073842469 /nfs/dbraw/zinc/84/24/69/1073842469.db2.gz IDMBBKARVXTCHL-NSHDSACASA-N 1 2 387.444 -0.261 20 0 GBADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(=O)[nH]c1=O ZINC000170643382 1073842092 /nfs/dbraw/zinc/84/20/92/1073842092.db2.gz IDMBBKARVXTCHL-LLVKDONJSA-N 1 2 387.444 -0.261 20 0 GBADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(=O)[nH]c1=O ZINC000170643382 1073842088 /nfs/dbraw/zinc/84/20/88/1073842088.db2.gz IDMBBKARVXTCHL-LLVKDONJSA-N 1 2 387.444 -0.261 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1C ZINC000170731690 1073898921 /nfs/dbraw/zinc/89/89/21/1073898921.db2.gz DHILNBSCRZTKBG-UHFFFAOYSA-N 1 2 376.446 -0.084 20 0 GBADLO CC1(C)COCC[N@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000170865292 530134168 /nfs/dbraw/zinc/13/41/68/530134168.db2.gz TVCYYVYLAWTSNR-UHFFFAOYSA-N 1 2 389.250 -0.474 20 0 GBADLO CC1(C)COCC[N@@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000170865292 530134163 /nfs/dbraw/zinc/13/41/63/530134163.db2.gz TVCYYVYLAWTSNR-UHFFFAOYSA-N 1 2 389.250 -0.474 20 0 GBADLO Cc1nc2n(n1)C[C@H](NC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000171046176 1073843757 /nfs/dbraw/zinc/84/37/57/1073843757.db2.gz ITFSGBJIOLGKNU-OAHLLOKOSA-N 1 2 385.476 -0.187 20 0 GBADLO Cc1nc2n(n1)C[C@@H](NC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000171046180 1073843727 /nfs/dbraw/zinc/84/37/27/1073843727.db2.gz ITFSGBJIOLGKNU-HNNXBMFYSA-N 1 2 385.476 -0.187 20 0 GBADLO CN(CC[NH+]1CCOCC1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000171418242 530134301 /nfs/dbraw/zinc/13/43/01/530134301.db2.gz QPBQGQCEJYMYEF-UHFFFAOYSA-N 1 2 375.223 -0.910 20 0 GBADLO CN(CC[NH+]1CCOCC1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000171418281 1073923113 /nfs/dbraw/zinc/92/31/13/1073923113.db2.gz SNEYOGXREUIAGC-UHFFFAOYSA-N 1 2 386.452 -0.151 20 0 GBADLO Cn1cc(N2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)cn1 ZINC000174186380 1073857148 /nfs/dbraw/zinc/85/71/48/1073857148.db2.gz VGKKBFITHWXAKU-UHFFFAOYSA-N 1 2 399.503 -0.136 20 0 GBADLO NS(=O)(=O)CC[NH+]1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000174933211 530137453 /nfs/dbraw/zinc/13/74/53/530137453.db2.gz WCVXHRQTLZUZJN-UHFFFAOYSA-N 1 2 385.877 -0.017 20 0 GBADLO NS(=O)(=O)CCN1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000174937939 530137180 /nfs/dbraw/zinc/13/71/80/530137180.db2.gz PHOSFBRQUZSMHI-UHFFFAOYSA-N 1 2 385.877 -0.246 20 0 GBADLO NS(=O)(=O)CC[NH+]1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000174937939 530137179 /nfs/dbraw/zinc/13/71/79/530137179.db2.gz PHOSFBRQUZSMHI-UHFFFAOYSA-N 1 2 385.877 -0.246 20 0 GBADLO C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000174940214 530328381 /nfs/dbraw/zinc/32/83/81/530328381.db2.gz YIXGOZFKKPGBJH-ZDUSSCGKSA-N 1 2 386.543 -0.073 20 0 GBADLO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000174940236 530328173 /nfs/dbraw/zinc/32/81/73/530328173.db2.gz YIXGOZFKKPGBJH-CYBMUJFWSA-N 1 2 386.543 -0.073 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cn1cc(Br)ccc1=O ZINC000176556704 530139184 /nfs/dbraw/zinc/13/91/84/530139184.db2.gz WFMZTPYPBRSDEF-ZDUSSCGKSA-N 1 2 388.262 -0.238 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cn1cc(Br)ccc1=O ZINC000176556725 530139066 /nfs/dbraw/zinc/13/90/66/530139066.db2.gz WFMZTPYPBRSDEF-CYBMUJFWSA-N 1 2 388.262 -0.238 20 0 GBADLO O=C(C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1)N1CCNC(=O)C1 ZINC000178033240 1073861432 /nfs/dbraw/zinc/86/14/32/1073861432.db2.gz JTNCUUJPTOOEGI-UHFFFAOYSA-N 1 2 376.432 -0.139 20 0 GBADLO O=C(C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1)N1CCNC(=O)C1 ZINC000178033240 1073861422 /nfs/dbraw/zinc/86/14/22/1073861422.db2.gz JTNCUUJPTOOEGI-UHFFFAOYSA-N 1 2 376.432 -0.139 20 0 GBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000178780762 1073862812 /nfs/dbraw/zinc/86/28/12/1073862812.db2.gz GPBFTBWWKXBBNG-GOSISDBHSA-N 1 2 392.525 -0.353 20 0 GBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000178780767 1073863148 /nfs/dbraw/zinc/86/31/48/1073863148.db2.gz GPBFTBWWKXBBNG-SFHVURJKSA-N 1 2 392.525 -0.353 20 0 GBADLO NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178976656 1073863890 /nfs/dbraw/zinc/86/38/90/1073863890.db2.gz DSALGRKLSSTIIL-GFCCVEGCSA-N 1 2 395.423 -0.182 20 0 GBADLO NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178976668 1073864139 /nfs/dbraw/zinc/86/41/39/1073864139.db2.gz DSALGRKLSSTIIL-LBPRGKRZSA-N 1 2 395.423 -0.182 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178976865 530328783 /nfs/dbraw/zinc/32/87/83/530328783.db2.gz YSQSJZBNKBXBRF-SNVBAGLBSA-N 1 2 378.907 -0.204 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178976876 530328744 /nfs/dbraw/zinc/32/87/44/530328744.db2.gz YSQSJZBNKBXBRF-JTQLQIEISA-N 1 2 378.907 -0.204 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000179449867 1073237913 /nfs/dbraw/zinc/23/79/13/1073237913.db2.gz DJOBCDGDYYYUOW-MRXNPFEDSA-N 1 2 384.502 -0.063 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000179449867 1073237908 /nfs/dbraw/zinc/23/79/08/1073237908.db2.gz DJOBCDGDYYYUOW-MRXNPFEDSA-N 1 2 384.502 -0.063 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000179449877 1073865459 /nfs/dbraw/zinc/86/54/59/1073865459.db2.gz DJOBCDGDYYYUOW-INIZCTEOSA-N 1 2 384.502 -0.063 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000179449877 1073865456 /nfs/dbraw/zinc/86/54/56/1073865456.db2.gz DJOBCDGDYYYUOW-INIZCTEOSA-N 1 2 384.502 -0.063 20 0 GBADLO Cn1c2[nH]c(C[N@H+]3CC[C@@H]4[C@H](CCC(=O)N4C4CC4)C3)nc2c(=O)n(C)c1=O ZINC000180656578 1073867068 /nfs/dbraw/zinc/86/70/68/1073867068.db2.gz ZGVPDCLBHZEQIO-DGCLKSJQSA-N 1 2 386.456 -0.064 20 0 GBADLO Cn1c2[nH]c(C[N@@H+]3CC[C@@H]4[C@H](CCC(=O)N4C4CC4)C3)nc2c(=O)n(C)c1=O ZINC000180656578 1073867058 /nfs/dbraw/zinc/86/70/58/1073867058.db2.gz ZGVPDCLBHZEQIO-DGCLKSJQSA-N 1 2 386.456 -0.064 20 0 GBADLO Cn1c2[nH]c(C[N@H+]3CC[C@H]4[C@H](CCC(=O)N4C4CC4)C3)nc2c(=O)n(C)c1=O ZINC000180656595 1073867560 /nfs/dbraw/zinc/86/75/60/1073867560.db2.gz ZGVPDCLBHZEQIO-YPMHNXCESA-N 1 2 386.456 -0.064 20 0 GBADLO Cn1c2[nH]c(C[N@@H+]3CC[C@H]4[C@H](CCC(=O)N4C4CC4)C3)nc2c(=O)n(C)c1=O ZINC000180656595 1073867547 /nfs/dbraw/zinc/86/75/47/1073867547.db2.gz ZGVPDCLBHZEQIO-YPMHNXCESA-N 1 2 386.456 -0.064 20 0 GBADLO CN(C)C(=O)[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCN1C[C@H](O)C(F)(F)F ZINC000181770362 530101788 /nfs/dbraw/zinc/10/17/88/530101788.db2.gz HUBRQJCMQGJWGS-GUBZILKMSA-N 1 2 381.317 -0.093 20 0 GBADLO CN(C)C(=O)[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCN1C[C@H](O)C(F)(F)F ZINC000181770362 530101786 /nfs/dbraw/zinc/10/17/86/530101786.db2.gz HUBRQJCMQGJWGS-GUBZILKMSA-N 1 2 381.317 -0.093 20 0 GBADLO CC(C)Cn1ncnc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000182652475 1073491004 /nfs/dbraw/zinc/49/10/04/1073491004.db2.gz VGKFLZCAOGXZQN-UHFFFAOYSA-N 1 2 385.538 -0.456 20 0 GBADLO Cn1c(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc(=O)n(C)c1=O ZINC000183735674 1073871818 /nfs/dbraw/zinc/87/18/18/1073871818.db2.gz JXIXCVWFXDWIQH-HNNXBMFYSA-N 1 2 384.502 -0.090 20 0 GBADLO Cn1c(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc(=O)n(C)c1=O ZINC000183735674 1073871807 /nfs/dbraw/zinc/87/18/07/1073871807.db2.gz JXIXCVWFXDWIQH-HNNXBMFYSA-N 1 2 384.502 -0.090 20 0 GBADLO Cn1c(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc(=O)n(C)c1=O ZINC000183735704 1073871679 /nfs/dbraw/zinc/87/16/79/1073871679.db2.gz JXIXCVWFXDWIQH-OAHLLOKOSA-N 1 2 384.502 -0.090 20 0 GBADLO Cn1c(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc(=O)n(C)c1=O ZINC000183735704 1073871669 /nfs/dbraw/zinc/87/16/69/1073871669.db2.gz JXIXCVWFXDWIQH-OAHLLOKOSA-N 1 2 384.502 -0.090 20 0 GBADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000187700841 1072218632 /nfs/dbraw/zinc/21/86/32/1072218632.db2.gz OKIUILADQCQYBN-CVEARBPZSA-N 1 2 378.473 -0.049 20 0 GBADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187700841 1072218629 /nfs/dbraw/zinc/21/86/29/1072218629.db2.gz OKIUILADQCQYBN-CVEARBPZSA-N 1 2 378.473 -0.049 20 0 GBADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000187700862 1072218831 /nfs/dbraw/zinc/21/88/31/1072218831.db2.gz OKIUILADQCQYBN-HOTGVXAUSA-N 1 2 378.473 -0.049 20 0 GBADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000187700862 1072218827 /nfs/dbraw/zinc/21/88/27/1072218827.db2.gz OKIUILADQCQYBN-HOTGVXAUSA-N 1 2 378.473 -0.049 20 0 GBADLO Cc1ncn(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(=O)c1C ZINC000188253659 1073544611 /nfs/dbraw/zinc/54/46/11/1073544611.db2.gz DUYNFBYUUMZSGR-UHFFFAOYSA-N 1 2 382.428 -0.114 20 0 GBADLO Cn1ncc(Cl)c1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000189722555 530331605 /nfs/dbraw/zinc/33/16/05/530331605.db2.gz SUDPXKUFVXAVNZ-UHFFFAOYSA-N 1 2 376.914 -0.317 20 0 GBADLO O=S(=O)(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC(F)(F)F ZINC000192011871 530290437 /nfs/dbraw/zinc/29/04/37/530290437.db2.gz GQFRZMDXPURVET-UHFFFAOYSA-N 1 2 382.412 -0.025 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000192535860 530463615 /nfs/dbraw/zinc/46/36/15/530463615.db2.gz NDFOJODACFQQBD-VIFPVBQESA-N 1 2 375.223 -0.864 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000192535873 530463556 /nfs/dbraw/zinc/46/35/56/530463556.db2.gz NDFOJODACFQQBD-SECBINFHSA-N 1 2 375.223 -0.864 20 0 GBADLO CCS(=O)(=O)C1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000193253523 1073626610 /nfs/dbraw/zinc/62/66/10/1073626610.db2.gz BVKZXAVKCOUQQF-UHFFFAOYSA-N 1 2 397.501 -0.277 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000194910092 530282645 /nfs/dbraw/zinc/28/26/45/530282645.db2.gz LCYNKBRXEMCOCH-UHFFFAOYSA-N 1 2 389.250 -0.474 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000194910092 530282644 /nfs/dbraw/zinc/28/26/44/530282644.db2.gz LCYNKBRXEMCOCH-UHFFFAOYSA-N 1 2 389.250 -0.474 20 0 GBADLO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000205337737 1073485628 /nfs/dbraw/zinc/48/56/28/1073485628.db2.gz PQPFYLZAIWAJAA-UHFFFAOYSA-N 1 2 389.412 -0.714 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC(=O)NC1 ZINC000214890379 1072573121 /nfs/dbraw/zinc/57/31/21/1072573121.db2.gz CCGMNSPEQKLOTH-CQSZACIVSA-N 1 2 395.485 -0.824 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC(=O)NC1 ZINC000214890428 1072573209 /nfs/dbraw/zinc/57/32/09/1072573209.db2.gz CCGMNSPEQKLOTH-AWEZNQCLSA-N 1 2 395.485 -0.824 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000236607713 530465741 /nfs/dbraw/zinc/46/57/41/530465741.db2.gz VFJFLOAYXXECBD-UHFFFAOYSA-N 1 2 383.246 -0.273 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCCNC(=O)c1cccc(Br)c1 ZINC000236630643 530465930 /nfs/dbraw/zinc/46/59/30/530465930.db2.gz NBPOTEGMDAWHDU-UHFFFAOYSA-N 1 2 383.246 -0.273 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000236713960 530078389 /nfs/dbraw/zinc/07/83/89/530078389.db2.gz FSOBRYWUYTXNEW-UHFFFAOYSA-N 1 2 382.262 -0.076 20 0 GBADLO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000243155379 1072496428 /nfs/dbraw/zinc/49/64/28/1072496428.db2.gz JOXFJLKYYYBSHY-UHFFFAOYSA-N 1 2 394.497 -0.073 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000243696155 637378472 /nfs/dbraw/zinc/37/84/72/637378472.db2.gz PJWYWKBMUIIMKE-UHFFFAOYSA-N 1 2 376.504 -0.700 20 0 GBADLO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000243742934 1073827496 /nfs/dbraw/zinc/82/74/96/1073827496.db2.gz PVHFKKGARVHGJQ-CABCVRRESA-N 1 2 392.481 -0.234 20 0 GBADLO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000243742935 1073827509 /nfs/dbraw/zinc/82/75/09/1073827509.db2.gz PVHFKKGARVHGJQ-GJZGRUSLSA-N 1 2 392.481 -0.234 20 0 GBADLO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000243742936 1073828155 /nfs/dbraw/zinc/82/81/55/1073828155.db2.gz PVHFKKGARVHGJQ-HUUCEWRRSA-N 1 2 392.481 -0.234 20 0 GBADLO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000243742937 1073827829 /nfs/dbraw/zinc/82/78/29/1073827829.db2.gz PVHFKKGARVHGJQ-LSDHHAIUSA-N 1 2 392.481 -0.234 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C[C@H]1C ZINC000246222994 1073856515 /nfs/dbraw/zinc/85/65/15/1073856515.db2.gz VMVJNROVSPHILA-OLZOCXBDSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C[C@H]1C ZINC000246222994 1073856508 /nfs/dbraw/zinc/85/65/08/1073856508.db2.gz VMVJNROVSPHILA-OLZOCXBDSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C[C@@H]1C ZINC000246222998 1073856784 /nfs/dbraw/zinc/85/67/84/1073856784.db2.gz VMVJNROVSPHILA-STQMWFEESA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C[C@@H]1C ZINC000246222998 1073856771 /nfs/dbraw/zinc/85/67/71/1073856771.db2.gz VMVJNROVSPHILA-STQMWFEESA-N 1 2 382.486 -0.047 20 0 GBADLO Cn1cnc2c1c(=O)n(CC(=O)NCc1cc[nH+]c(N3CCCC3)c1)c(=O)n2C ZINC000248000631 1073872968 /nfs/dbraw/zinc/87/29/68/1073872968.db2.gz AMGAAXJIKAZBTO-UHFFFAOYSA-N 1 2 397.439 -0.255 20 0 GBADLO Cn1c(=O)c2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)nc2n(C)c1=O ZINC000248003102 1073874334 /nfs/dbraw/zinc/87/43/34/1073874334.db2.gz BBXXOHNYXQVHGM-UHFFFAOYSA-N 1 2 380.408 -0.010 20 0 GBADLO CN(C)C(=O)[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCN1C[C@H](O)C(F)(F)F ZINC000248554517 530489432 /nfs/dbraw/zinc/48/94/32/530489432.db2.gz HUBRQJCMQGJWGS-AEJSXWLSSA-N 1 2 381.317 -0.093 20 0 GBADLO CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCN1C[C@H](O)C(F)(F)F ZINC000248554517 530489429 /nfs/dbraw/zinc/48/94/29/530489429.db2.gz HUBRQJCMQGJWGS-AEJSXWLSSA-N 1 2 381.317 -0.093 20 0 GBADLO CN(C)C(=O)[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCN1C[C@@H](O)C(F)(F)F ZINC000248554522 530489467 /nfs/dbraw/zinc/48/94/67/530489467.db2.gz HUBRQJCMQGJWGS-IVZWLZJFSA-N 1 2 381.317 -0.093 20 0 GBADLO CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCN1C[C@@H](O)C(F)(F)F ZINC000248554522 530489466 /nfs/dbraw/zinc/48/94/66/530489466.db2.gz HUBRQJCMQGJWGS-IVZWLZJFSA-N 1 2 381.317 -0.093 20 0 GBADLO CN(C)C(=O)[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCN1C[C@@H](O)C(F)(F)F ZINC000248554857 530489460 /nfs/dbraw/zinc/48/94/60/530489460.db2.gz HUBRQJCMQGJWGS-LPEHRKFASA-N 1 2 381.317 -0.093 20 0 GBADLO CN(C)C(=O)[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCN1C[C@@H](O)C(F)(F)F ZINC000248554857 530489459 /nfs/dbraw/zinc/48/94/59/530489459.db2.gz HUBRQJCMQGJWGS-LPEHRKFASA-N 1 2 381.317 -0.093 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)[C@H](C)C1 ZINC000249162464 1072974388 /nfs/dbraw/zinc/97/43/88/1072974388.db2.gz JMLYZLKKLZTOER-OLZOCXBDSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)[C@H](C)C1 ZINC000249162464 1072974384 /nfs/dbraw/zinc/97/43/84/1072974384.db2.gz JMLYZLKKLZTOER-OLZOCXBDSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000249162465 1072974506 /nfs/dbraw/zinc/97/45/06/1072974506.db2.gz JMLYZLKKLZTOER-STQMWFEESA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000249162465 1072974496 /nfs/dbraw/zinc/97/44/96/1072974496.db2.gz JMLYZLKKLZTOER-STQMWFEESA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000249571512 1072977184 /nfs/dbraw/zinc/97/71/84/1072977184.db2.gz OKIUILADQCQYBN-HZPDHXFCSA-N 1 2 378.473 -0.049 20 0 GBADLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000249571512 1072977178 /nfs/dbraw/zinc/97/71/78/1072977178.db2.gz OKIUILADQCQYBN-HZPDHXFCSA-N 1 2 378.473 -0.049 20 0 GBADLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249571513 1072976840 /nfs/dbraw/zinc/97/68/40/1072976840.db2.gz OKIUILADQCQYBN-JKSUJKDBSA-N 1 2 378.473 -0.049 20 0 GBADLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249571513 1072976829 /nfs/dbraw/zinc/97/68/29/1072976829.db2.gz OKIUILADQCQYBN-JKSUJKDBSA-N 1 2 378.473 -0.049 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000261618696 530352771 /nfs/dbraw/zinc/35/27/71/530352771.db2.gz BQSLDTPWRUMEBQ-AWEZNQCLSA-N 1 2 391.515 -0.089 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261618697 530352675 /nfs/dbraw/zinc/35/26/75/530352675.db2.gz BQSLDTPWRUMEBQ-CQSZACIVSA-N 1 2 391.515 -0.089 20 0 GBADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000262130559 530353326 /nfs/dbraw/zinc/35/33/26/530353326.db2.gz YDDIGKSDVRBXTE-CYBMUJFWSA-N 1 2 385.471 -0.597 20 0 GBADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000262130564 530353351 /nfs/dbraw/zinc/35/33/51/530353351.db2.gz YDDIGKSDVRBXTE-ZDUSSCGKSA-N 1 2 385.471 -0.597 20 0 GBADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000262324889 530353133 /nfs/dbraw/zinc/35/31/33/530353133.db2.gz QWORYWOSRJYQOR-GFCCVEGCSA-N 1 2 385.471 -0.446 20 0 GBADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000262324891 530353281 /nfs/dbraw/zinc/35/32/81/530353281.db2.gz QWORYWOSRJYQOR-LBPRGKRZSA-N 1 2 385.471 -0.446 20 0 GBADLO Cc1ccc(N)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000262405939 1073966752 /nfs/dbraw/zinc/96/67/52/1073966752.db2.gz RTQXOKCQRPHNLA-UHFFFAOYSA-N 1 2 381.502 -0.173 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cn1C ZINC000263051020 530354082 /nfs/dbraw/zinc/35/40/82/530354082.db2.gz UNMHJEFMXRHATO-LLVKDONJSA-N 1 2 377.417 -0.441 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cn1C ZINC000263051023 530353973 /nfs/dbraw/zinc/35/39/73/530353973.db2.gz UNMHJEFMXRHATO-NSHDSACASA-N 1 2 377.417 -0.441 20 0 GBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263174529 530482136 /nfs/dbraw/zinc/48/21/36/530482136.db2.gz GBWXZTFHQYQECN-GFCCVEGCSA-N 1 2 382.433 -0.859 20 0 GBADLO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263174530 530481988 /nfs/dbraw/zinc/48/19/88/530481988.db2.gz GBWXZTFHQYQECN-LBPRGKRZSA-N 1 2 382.433 -0.859 20 0 GBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263304126 530486320 /nfs/dbraw/zinc/48/63/20/530486320.db2.gz XMRBUPYZAQRKLH-GFCCVEGCSA-N 1 2 377.417 -0.313 20 0 GBADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cn1 ZINC000263304130 530211751 /nfs/dbraw/zinc/21/17/51/530211751.db2.gz XMRBUPYZAQRKLH-LBPRGKRZSA-N 1 2 377.417 -0.313 20 0 GBADLO CC[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1cnn(C)c1 ZINC000263660892 1072322824 /nfs/dbraw/zinc/32/28/24/1072322824.db2.gz DXAMYPBEXIAAJF-UHFFFAOYSA-N 1 2 392.504 -0.755 20 0 GBADLO CC[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1cnn(C)c1 ZINC000263660892 1072322813 /nfs/dbraw/zinc/32/28/13/1072322813.db2.gz DXAMYPBEXIAAJF-UHFFFAOYSA-N 1 2 392.504 -0.755 20 0 GBADLO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000263743000 530213074 /nfs/dbraw/zinc/21/30/74/530213074.db2.gz HGFYJABTDOJULR-JTQLQIEISA-N 1 2 390.487 -0.022 20 0 GBADLO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000263743000 530213073 /nfs/dbraw/zinc/21/30/73/530213073.db2.gz HGFYJABTDOJULR-JTQLQIEISA-N 1 2 390.487 -0.022 20 0 GBADLO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000263743002 530213105 /nfs/dbraw/zinc/21/31/05/530213105.db2.gz HGFYJABTDOJULR-SNVBAGLBSA-N 1 2 390.487 -0.022 20 0 GBADLO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000263743002 530213104 /nfs/dbraw/zinc/21/31/04/530213104.db2.gz HGFYJABTDOJULR-SNVBAGLBSA-N 1 2 390.487 -0.022 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000263764957 530213055 /nfs/dbraw/zinc/21/30/55/530213055.db2.gz KXFINSYFIRTVBP-LLVKDONJSA-N 1 2 389.503 -0.421 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000263764957 530213054 /nfs/dbraw/zinc/21/30/54/530213054.db2.gz KXFINSYFIRTVBP-LLVKDONJSA-N 1 2 389.503 -0.421 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000263764959 530213085 /nfs/dbraw/zinc/21/30/85/530213085.db2.gz KXFINSYFIRTVBP-NSHDSACASA-N 1 2 389.503 -0.421 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000263764959 530213082 /nfs/dbraw/zinc/21/30/82/530213082.db2.gz KXFINSYFIRTVBP-NSHDSACASA-N 1 2 389.503 -0.421 20 0 GBADLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000264113046 530213420 /nfs/dbraw/zinc/21/34/20/530213420.db2.gz BTJCQSXKXBRGFY-GFCCVEGCSA-N 1 2 388.515 -0.305 20 0 GBADLO CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000264113049 530213445 /nfs/dbraw/zinc/21/34/45/530213445.db2.gz BTJCQSXKXBRGFY-LBPRGKRZSA-N 1 2 388.515 -0.305 20 0 GBADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000264142929 530213256 /nfs/dbraw/zinc/21/32/56/530213256.db2.gz YSDKBLBYMOFKLN-UHFFFAOYSA-N 1 2 377.488 -0.589 20 0 GBADLO NS(=O)(=O)CCC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000264199982 530213812 /nfs/dbraw/zinc/21/38/12/530213812.db2.gz PJDIFNSCLDRATN-UHFFFAOYSA-N 1 2 387.487 -0.452 20 0 GBADLO COc1cc[nH+]c(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000264412485 530213815 /nfs/dbraw/zinc/21/38/15/530213815.db2.gz JYKHEUVBAROMQS-HNNXBMFYSA-N 1 2 389.499 -0.275 20 0 GBADLO COc1cc[nH+]c(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000264412487 530213707 /nfs/dbraw/zinc/21/37/07/530213707.db2.gz JYKHEUVBAROMQS-OAHLLOKOSA-N 1 2 389.499 -0.275 20 0 GBADLO COc1cc[nH+]cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000264515513 530214234 /nfs/dbraw/zinc/21/42/34/530214234.db2.gz JVGNGEFXEYCZJZ-UHFFFAOYSA-N 1 2 388.471 -0.477 20 0 GBADLO COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000264541463 530214022 /nfs/dbraw/zinc/21/40/22/530214022.db2.gz QBJDBBSKBQLYNY-CYBMUJFWSA-N 1 2 391.515 -0.026 20 0 GBADLO COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000264541463 530214020 /nfs/dbraw/zinc/21/40/20/530214020.db2.gz QBJDBBSKBQLYNY-CYBMUJFWSA-N 1 2 391.515 -0.026 20 0 GBADLO COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000264541466 530214185 /nfs/dbraw/zinc/21/41/85/530214185.db2.gz QBJDBBSKBQLYNY-ZDUSSCGKSA-N 1 2 391.515 -0.026 20 0 GBADLO COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000264541466 530214184 /nfs/dbraw/zinc/21/41/84/530214184.db2.gz QBJDBBSKBQLYNY-ZDUSSCGKSA-N 1 2 391.515 -0.026 20 0 GBADLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)Cn1cc(Br)cn1 ZINC000264708436 530214647 /nfs/dbraw/zinc/21/46/47/530214647.db2.gz DHFAFZOQOIIPPU-UHFFFAOYSA-N 1 2 389.250 -0.021 20 0 GBADLO CCOCC[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000264712886 530214662 /nfs/dbraw/zinc/21/46/62/530214662.db2.gz BULQMJKRLOIKGZ-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000264713088 530214487 /nfs/dbraw/zinc/21/44/87/530214487.db2.gz CBOKFTAVGHBOQF-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000264732973 530214432 /nfs/dbraw/zinc/21/44/32/530214432.db2.gz IDKPQUZQDURGSY-CYBMUJFWSA-N 1 2 390.531 -0.539 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000264732973 530214429 /nfs/dbraw/zinc/21/44/29/530214429.db2.gz IDKPQUZQDURGSY-CYBMUJFWSA-N 1 2 390.531 -0.539 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000264732977 530214636 /nfs/dbraw/zinc/21/46/36/530214636.db2.gz IDKPQUZQDURGSY-ZDUSSCGKSA-N 1 2 390.531 -0.539 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000264732977 530214635 /nfs/dbraw/zinc/21/46/35/530214635.db2.gz IDKPQUZQDURGSY-ZDUSSCGKSA-N 1 2 390.531 -0.539 20 0 GBADLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000264736620 530214623 /nfs/dbraw/zinc/21/46/23/530214623.db2.gz JDHSOKOLLYKBJR-UHFFFAOYSA-N 1 2 377.488 -0.323 20 0 GBADLO O=C(C[N@H+](CCO)CCCO)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000264757070 530214499 /nfs/dbraw/zinc/21/44/99/530214499.db2.gz WXBYAJWECFTCHT-AWEZNQCLSA-N 1 2 390.527 -0.060 20 0 GBADLO O=C(C[N@@H+](CCO)CCCO)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000264757070 530214497 /nfs/dbraw/zinc/21/44/97/530214497.db2.gz WXBYAJWECFTCHT-AWEZNQCLSA-N 1 2 390.527 -0.060 20 0 GBADLO O=C(C[N@H+](CCO)CCCO)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000264757073 530214541 /nfs/dbraw/zinc/21/45/41/530214541.db2.gz WXBYAJWECFTCHT-CQSZACIVSA-N 1 2 390.527 -0.060 20 0 GBADLO O=C(C[N@@H+](CCO)CCCO)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000264757073 530214539 /nfs/dbraw/zinc/21/45/39/530214539.db2.gz WXBYAJWECFTCHT-CQSZACIVSA-N 1 2 390.527 -0.060 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000264774183 530214587 /nfs/dbraw/zinc/21/45/87/530214587.db2.gz RTEBVCDUYGLECT-GFCCVEGCSA-N 1 2 376.504 -0.881 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000264774183 530214585 /nfs/dbraw/zinc/21/45/85/530214585.db2.gz RTEBVCDUYGLECT-GFCCVEGCSA-N 1 2 376.504 -0.881 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000264774189 530214593 /nfs/dbraw/zinc/21/45/93/530214593.db2.gz RTEBVCDUYGLECT-LBPRGKRZSA-N 1 2 376.504 -0.881 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000264774189 530214592 /nfs/dbraw/zinc/21/45/92/530214592.db2.gz RTEBVCDUYGLECT-LBPRGKRZSA-N 1 2 376.504 -0.881 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000264788283 530214613 /nfs/dbraw/zinc/21/46/13/530214613.db2.gz WPBOFMGELMXFQW-CYBMUJFWSA-N 1 2 390.531 -0.539 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000264788283 530214612 /nfs/dbraw/zinc/21/46/12/530214612.db2.gz WPBOFMGELMXFQW-CYBMUJFWSA-N 1 2 390.531 -0.539 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000264788286 530214507 /nfs/dbraw/zinc/21/45/07/530214507.db2.gz WPBOFMGELMXFQW-ZDUSSCGKSA-N 1 2 390.531 -0.539 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000264788286 530214505 /nfs/dbraw/zinc/21/45/05/530214505.db2.gz WPBOFMGELMXFQW-ZDUSSCGKSA-N 1 2 390.531 -0.539 20 0 GBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC[NH+]3CCSCC3)cnc21 ZINC000264830896 530214609 /nfs/dbraw/zinc/21/46/09/530214609.db2.gz GIQSCDBUTODSFW-UHFFFAOYSA-N 1 2 385.471 -0.639 20 0 GBADLO C[NH+](C)CCN1C[C@H](C(=O)Nc2nnc(NS(C)(=O)=O)s2)CC1=O ZINC000265046490 530214965 /nfs/dbraw/zinc/21/49/65/530214965.db2.gz OPUPSJDQQSRPGC-MRVPVSSYSA-N 1 2 376.464 -0.742 20 0 GBADLO C[NH+](C)CCN1C[C@@H](C(=O)Nc2nnc(NS(C)(=O)=O)s2)CC1=O ZINC000265046494 530214892 /nfs/dbraw/zinc/21/48/92/530214892.db2.gz OPUPSJDQQSRPGC-QMMMGPOBSA-N 1 2 376.464 -0.742 20 0 GBADLO CCc1[nH]n(C)c2nnc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c1-2 ZINC000265166807 1073664138 /nfs/dbraw/zinc/66/41/38/1073664138.db2.gz GFFDDVKXYLZGDK-GFCCVEGCSA-N 1 2 389.460 -0.022 20 0 GBADLO CCc1[nH]n(C)c2nnc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c1-2 ZINC000265166808 1073663753 /nfs/dbraw/zinc/66/37/53/1073663753.db2.gz GFFDDVKXYLZGDK-LBPRGKRZSA-N 1 2 389.460 -0.022 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3cccnc3Cl)CC2)CC1 ZINC000265196701 530215082 /nfs/dbraw/zinc/21/50/82/530215082.db2.gz CZUQXXRXXZVITL-UHFFFAOYSA-N 1 2 387.893 -0.015 20 0 GBADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)n1 ZINC000265249797 530215180 /nfs/dbraw/zinc/21/51/80/530215180.db2.gz SXEYFNPSTJWSEU-JTQLQIEISA-N 1 2 390.487 -0.202 20 0 GBADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)n1 ZINC000265249797 530215178 /nfs/dbraw/zinc/21/51/78/530215178.db2.gz SXEYFNPSTJWSEU-JTQLQIEISA-N 1 2 390.487 -0.202 20 0 GBADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)n1 ZINC000265249800 530215301 /nfs/dbraw/zinc/21/53/01/530215301.db2.gz SXEYFNPSTJWSEU-SNVBAGLBSA-N 1 2 390.487 -0.202 20 0 GBADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)n1 ZINC000265249800 530215299 /nfs/dbraw/zinc/21/52/99/530215299.db2.gz SXEYFNPSTJWSEU-SNVBAGLBSA-N 1 2 390.487 -0.202 20 0 GBADLO CN(C)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000265259276 530215198 /nfs/dbraw/zinc/21/51/98/530215198.db2.gz CJGPGPGWCIZBNC-UHFFFAOYSA-N 1 2 376.504 -0.481 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000265295761 530215281 /nfs/dbraw/zinc/21/52/81/530215281.db2.gz LNHOVMQZSPKRQR-CMPLNLGQSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000265295761 530215279 /nfs/dbraw/zinc/21/52/79/530215279.db2.gz LNHOVMQZSPKRQR-CMPLNLGQSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000265295764 530215288 /nfs/dbraw/zinc/21/52/88/530215288.db2.gz LNHOVMQZSPKRQR-JQWIXIFHSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000265295764 530215286 /nfs/dbraw/zinc/21/52/86/530215286.db2.gz LNHOVMQZSPKRQR-JQWIXIFHSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000265295767 530215089 /nfs/dbraw/zinc/21/50/89/530215089.db2.gz LNHOVMQZSPKRQR-PWSUYJOCSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000265295767 530215088 /nfs/dbraw/zinc/21/50/88/530215088.db2.gz LNHOVMQZSPKRQR-PWSUYJOCSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000265295770 530215232 /nfs/dbraw/zinc/21/52/32/530215232.db2.gz LNHOVMQZSPKRQR-ZYHUDNBSSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000265295770 530215231 /nfs/dbraw/zinc/21/52/31/530215231.db2.gz LNHOVMQZSPKRQR-ZYHUDNBSSA-N 1 2 390.487 -0.716 20 0 GBADLO O=S(=O)(CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 ZINC000265297298 530215263 /nfs/dbraw/zinc/21/52/63/530215263.db2.gz CGSLYVLNJNIQBE-CVEARBPZSA-N 1 2 388.511 -0.452 20 0 GBADLO O=S(=O)(CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 ZINC000265297299 530215173 /nfs/dbraw/zinc/21/51/73/530215173.db2.gz CGSLYVLNJNIQBE-HOTGVXAUSA-N 1 2 388.511 -0.452 20 0 GBADLO O=S(=O)(CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 ZINC000265297300 530215097 /nfs/dbraw/zinc/21/50/97/530215097.db2.gz CGSLYVLNJNIQBE-HZPDHXFCSA-N 1 2 388.511 -0.452 20 0 GBADLO O=S(=O)(CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 ZINC000265297309 530215119 /nfs/dbraw/zinc/21/51/19/530215119.db2.gz CGSLYVLNJNIQBE-JKSUJKDBSA-N 1 2 388.511 -0.452 20 0 GBADLO COCCS(=O)(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000265314999 530215726 /nfs/dbraw/zinc/21/57/26/530215726.db2.gz QWUDFNKVJBGFEK-UHFFFAOYSA-N 1 2 391.515 -0.312 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)cc1 ZINC000265369257 530215630 /nfs/dbraw/zinc/21/56/30/530215630.db2.gz VTOXWHQIFJSSNN-CYBMUJFWSA-N 1 2 391.515 -0.064 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCOC)[C@H](C)C2)cc1 ZINC000265369257 530215628 /nfs/dbraw/zinc/21/56/28/530215628.db2.gz VTOXWHQIFJSSNN-CYBMUJFWSA-N 1 2 391.515 -0.064 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)cc1 ZINC000265369259 530215711 /nfs/dbraw/zinc/21/57/11/530215711.db2.gz VTOXWHQIFJSSNN-ZDUSSCGKSA-N 1 2 391.515 -0.064 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)cc1 ZINC000265369259 530215709 /nfs/dbraw/zinc/21/57/09/530215709.db2.gz VTOXWHQIFJSSNN-ZDUSSCGKSA-N 1 2 391.515 -0.064 20 0 GBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc(Cl)cn1 ZINC000265369415 530215604 /nfs/dbraw/zinc/21/56/04/530215604.db2.gz OCOSJDURTFAZCP-CHWSQXEVSA-N 1 2 388.877 -0.239 20 0 GBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc(Cl)cn1 ZINC000265369418 530215653 /nfs/dbraw/zinc/21/56/53/530215653.db2.gz OCOSJDURTFAZCP-OLZOCXBDSA-N 1 2 388.877 -0.239 20 0 GBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc(Cl)cn1 ZINC000265369421 530215599 /nfs/dbraw/zinc/21/55/99/530215599.db2.gz OCOSJDURTFAZCP-QWHCGFSZSA-N 1 2 388.877 -0.239 20 0 GBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc(Cl)cn1 ZINC000265369424 530215634 /nfs/dbraw/zinc/21/56/34/530215634.db2.gz OCOSJDURTFAZCP-STQMWFEESA-N 1 2 388.877 -0.239 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cn3)CC2)CC1 ZINC000265447425 530504733 /nfs/dbraw/zinc/50/47/33/530504733.db2.gz MSGAZVVGBAIICZ-UHFFFAOYSA-N 1 2 387.893 -0.015 20 0 GBADLO CCNS(=O)(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000265488209 530215856 /nfs/dbraw/zinc/21/58/56/530215856.db2.gz JURVRAQPZOGKIW-UHFFFAOYSA-N 1 2 376.504 -0.433 20 0 GBADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000265621907 530216334 /nfs/dbraw/zinc/21/63/34/530216334.db2.gz BNQYBWMLMBAOQY-CYBMUJFWSA-N 1 2 391.515 -0.026 20 0 GBADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000265621907 530216333 /nfs/dbraw/zinc/21/63/33/530216333.db2.gz BNQYBWMLMBAOQY-CYBMUJFWSA-N 1 2 391.515 -0.026 20 0 GBADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000265621908 530216396 /nfs/dbraw/zinc/21/63/96/530216396.db2.gz BNQYBWMLMBAOQY-ZDUSSCGKSA-N 1 2 391.515 -0.026 20 0 GBADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000265621908 530216395 /nfs/dbraw/zinc/21/63/95/530216395.db2.gz BNQYBWMLMBAOQY-ZDUSSCGKSA-N 1 2 391.515 -0.026 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000265659505 530216265 /nfs/dbraw/zinc/21/62/65/530216265.db2.gz REJNZXWKDGGKPR-CYBMUJFWSA-N 1 2 391.515 -0.159 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000265659506 530216218 /nfs/dbraw/zinc/21/62/18/530216218.db2.gz REJNZXWKDGGKPR-ZDUSSCGKSA-N 1 2 391.515 -0.159 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000265665618 530216315 /nfs/dbraw/zinc/21/63/15/530216315.db2.gz UARXVIQQJNVOAW-CYBMUJFWSA-N 1 2 391.515 -0.159 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000265665623 530216290 /nfs/dbraw/zinc/21/62/90/530216290.db2.gz UARXVIQQJNVOAW-ZDUSSCGKSA-N 1 2 391.515 -0.159 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3nccs3)CC2)CC1 ZINC000265798380 530216242 /nfs/dbraw/zinc/21/62/42/530216242.db2.gz BDDUQHBWSUZCHG-UHFFFAOYSA-N 1 2 388.519 -0.809 20 0 GBADLO COC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000265864982 530216542 /nfs/dbraw/zinc/21/65/42/530216542.db2.gz NXMDJXODKXFCKH-GFCCVEGCSA-N 1 2 377.488 -0.325 20 0 GBADLO COC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000265864984 530216758 /nfs/dbraw/zinc/21/67/58/530216758.db2.gz NXMDJXODKXFCKH-LBPRGKRZSA-N 1 2 377.488 -0.325 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000266085170 530217128 /nfs/dbraw/zinc/21/71/28/530217128.db2.gz OPABNWSIFGXPTA-CYBMUJFWSA-N 1 2 389.499 -0.181 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000266085171 530216940 /nfs/dbraw/zinc/21/69/40/530216940.db2.gz OPABNWSIFGXPTA-ZDUSSCGKSA-N 1 2 389.499 -0.181 20 0 GBADLO NS(=O)(=O)CC[NH+]1CCN(c2cc(C(F)(F)F)nc3ncnn32)CC1 ZINC000266217716 530217291 /nfs/dbraw/zinc/21/72/91/530217291.db2.gz PRKWEXQQPBOSHT-UHFFFAOYSA-N 1 2 379.368 -0.446 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000266225378 530217413 /nfs/dbraw/zinc/21/74/13/530217413.db2.gz QPPLODMTKFFZQV-UHFFFAOYSA-N 1 2 386.499 -0.174 20 0 GBADLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)S1 ZINC000266656222 530217903 /nfs/dbraw/zinc/21/79/03/530217903.db2.gz GFKYQUJODOTPBF-LLVKDONJSA-N 1 2 386.503 -0.444 20 0 GBADLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)S1 ZINC000266656227 530217799 /nfs/dbraw/zinc/21/77/99/530217799.db2.gz GFKYQUJODOTPBF-NSHDSACASA-N 1 2 386.503 -0.444 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266700858 530217909 /nfs/dbraw/zinc/21/79/09/530217909.db2.gz FYKXMLIRLPKIMK-LLVKDONJSA-N 1 2 388.515 -0.177 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266700859 530217831 /nfs/dbraw/zinc/21/78/31/530217831.db2.gz FYKXMLIRLPKIMK-NSHDSACASA-N 1 2 388.515 -0.177 20 0 GBADLO CCN(C)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000266764247 530217866 /nfs/dbraw/zinc/21/78/66/530217866.db2.gz HKUHSQPRUWDVEP-UHFFFAOYSA-N 1 2 390.531 -0.091 20 0 GBADLO CCc1nc(NC(=O)CN2CC[NH+](CCS(N)(=O)=O)CC2)sc1C ZINC000266852935 530217840 /nfs/dbraw/zinc/21/78/40/530217840.db2.gz FMSPVCRSUXFHIV-UHFFFAOYSA-N 1 2 375.520 -0.141 20 0 GBADLO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000266880600 530217678 /nfs/dbraw/zinc/21/76/78/530217678.db2.gz WPBFGHRLQGJKQJ-LLVKDONJSA-N 1 2 375.882 -0.032 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000266880601 530217726 /nfs/dbraw/zinc/21/77/26/530217726.db2.gz WPBFGHRLQGJKQJ-NSHDSACASA-N 1 2 375.882 -0.032 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)c1 ZINC000266882638 530217875 /nfs/dbraw/zinc/21/78/75/530217875.db2.gz XZPVFCSHAQEBJJ-UHFFFAOYSA-N 1 2 390.531 -0.657 20 0 GBADLO Cc1nc(NC(=O)[C@@H](C)N2CC[NH+](CCS(N)(=O)=O)CC2)sc1C ZINC000266883813 530217769 /nfs/dbraw/zinc/21/77/69/530217769.db2.gz YUMCTPQKVLVHFB-LLVKDONJSA-N 1 2 375.520 -0.007 20 0 GBADLO Cc1nc(NC(=O)[C@H](C)N2CC[NH+](CCS(N)(=O)=O)CC2)sc1C ZINC000266883815 530217853 /nfs/dbraw/zinc/21/78/53/530217853.db2.gz YUMCTPQKVLVHFB-NSHDSACASA-N 1 2 375.520 -0.007 20 0 GBADLO O=S(=O)([C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000267025380 530218075 /nfs/dbraw/zinc/21/80/75/530218075.db2.gz KOSIZIRQLIQXKA-CYBMUJFWSA-N 1 2 386.499 -0.007 20 0 GBADLO O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000267026850 530218128 /nfs/dbraw/zinc/21/81/28/530218128.db2.gz KOSIZIRQLIQXKA-ZDUSSCGKSA-N 1 2 386.499 -0.007 20 0 GBADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000267041563 530218067 /nfs/dbraw/zinc/21/80/67/530218067.db2.gz HFHFZTKQNNPXJI-UHFFFAOYSA-N 1 2 388.515 -0.175 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NC)cs2)CC1 ZINC000267155889 530218029 /nfs/dbraw/zinc/21/80/29/530218029.db2.gz OXFADPQMBSJQEA-UHFFFAOYSA-N 1 2 388.515 -0.060 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NC)cs2)CC1 ZINC000267155889 530218028 /nfs/dbraw/zinc/21/80/28/530218028.db2.gz OXFADPQMBSJQEA-UHFFFAOYSA-N 1 2 388.515 -0.060 20 0 GBADLO O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[NH+](CCO)CC1 ZINC000267287425 530218418 /nfs/dbraw/zinc/21/84/18/530218418.db2.gz JGYKHFRLRXBDIT-UHFFFAOYSA-N 1 2 388.515 -0.498 20 0 GBADLO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](CCO)CC2)sc1Br ZINC000267298703 530218552 /nfs/dbraw/zinc/21/85/52/530218552.db2.gz JNJUPGMXJZZQGX-UHFFFAOYSA-N 1 2 398.304 -0.092 20 0 GBADLO COc1nc(N2CC[NH+](CCN3C(=O)CNC3=O)CC2)ncc1Br ZINC000267439519 530218461 /nfs/dbraw/zinc/21/84/61/530218461.db2.gz HLWDYCBWZWZMEE-UHFFFAOYSA-N 1 2 399.249 -0.079 20 0 GBADLO COc1nc(N2CC[NH+](CCNS(C)(=O)=O)CC2)ncc1Br ZINC000267440442 530218539 /nfs/dbraw/zinc/21/85/39/530218539.db2.gz HONKQBZVQQGJDV-UHFFFAOYSA-N 1 2 394.295 -0.081 20 0 GBADLO Cc1cnc(N2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)s1 ZINC000267445297 530218814 /nfs/dbraw/zinc/21/88/14/530218814.db2.gz PVZNCJIEVCFAPV-UHFFFAOYSA-N 1 2 389.547 -0.029 20 0 GBADLO COc1nc(N2CC[NH+](CC(=O)N3CCNC3=O)CC2)ncc1Br ZINC000267450552 530218752 /nfs/dbraw/zinc/21/87/52/530218752.db2.gz MEDXHOMYVVXQJH-UHFFFAOYSA-N 1 2 399.249 -0.079 20 0 GBADLO CC(C)(O)CC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000267470438 530218849 /nfs/dbraw/zinc/21/88/49/530218849.db2.gz XOPLUZWGSKWSCD-UHFFFAOYSA-N 1 2 391.515 -0.199 20 0 GBADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000267480522 530218836 /nfs/dbraw/zinc/21/88/36/530218836.db2.gz CARRLWIEPAJFMX-UHFFFAOYSA-N 1 2 389.503 -0.513 20 0 GBADLO CNS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000267551856 530218705 /nfs/dbraw/zinc/21/87/05/530218705.db2.gz DBJFMFHHQGUJIO-UHFFFAOYSA-N 1 2 390.487 -0.890 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000267556439 530218894 /nfs/dbraw/zinc/21/88/94/530218894.db2.gz IIXQEYLFYQLJGX-UHFFFAOYSA-N 1 2 392.503 -0.723 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000267579776 530219240 /nfs/dbraw/zinc/21/92/40/530219240.db2.gz QJHDOJRMHFJLSW-UHFFFAOYSA-N 1 2 381.545 -0.035 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000267579776 530219239 /nfs/dbraw/zinc/21/92/39/530219239.db2.gz QJHDOJRMHFJLSW-UHFFFAOYSA-N 1 2 381.545 -0.035 20 0 GBADLO CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000267615646 1072284252 /nfs/dbraw/zinc/28/42/52/1072284252.db2.gz PDCODPRFVWCBKF-QGZVFWFLSA-N 1 2 378.473 0.000 20 0 GBADLO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000267615646 1072284246 /nfs/dbraw/zinc/28/42/46/1072284246.db2.gz PDCODPRFVWCBKF-QGZVFWFLSA-N 1 2 378.473 0.000 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000267654786 530219098 /nfs/dbraw/zinc/21/90/98/530219098.db2.gz JIKCGHZDMQLAPM-GFCCVEGCSA-N 1 2 377.488 -0.822 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000267654790 530219218 /nfs/dbraw/zinc/21/92/18/530219218.db2.gz JIKCGHZDMQLAPM-LBPRGKRZSA-N 1 2 377.488 -0.822 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000267679440 530219264 /nfs/dbraw/zinc/21/92/64/530219264.db2.gz MPDOTPBDRYXMBW-CYBMUJFWSA-N 1 2 391.515 -0.432 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000267679443 530219154 /nfs/dbraw/zinc/21/91/54/530219154.db2.gz MPDOTPBDRYXMBW-ZDUSSCGKSA-N 1 2 391.515 -0.432 20 0 GBADLO CNS(=O)(=O)c1csc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000267686275 530219199 /nfs/dbraw/zinc/21/91/99/530219199.db2.gz NRJHENHURWBJHZ-LLVKDONJSA-N 1 2 377.488 -0.579 20 0 GBADLO CNS(=O)(=O)c1csc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000267686279 530219148 /nfs/dbraw/zinc/21/91/48/530219148.db2.gz NRJHENHURWBJHZ-NSHDSACASA-N 1 2 377.488 -0.579 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267704584 530219128 /nfs/dbraw/zinc/21/91/28/530219128.db2.gz QCTMKMPFAJKWBP-CHWSQXEVSA-N 1 2 391.515 -0.434 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000267704590 530219165 /nfs/dbraw/zinc/21/91/65/530219165.db2.gz QCTMKMPFAJKWBP-OLZOCXBDSA-N 1 2 391.515 -0.434 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267704597 530219275 /nfs/dbraw/zinc/21/92/75/530219275.db2.gz QCTMKMPFAJKWBP-QWHCGFSZSA-N 1 2 391.515 -0.434 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000267704605 530219310 /nfs/dbraw/zinc/21/93/10/530219310.db2.gz QCTMKMPFAJKWBP-STQMWFEESA-N 1 2 391.515 -0.434 20 0 GBADLO CCn1c2ccc(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2[nH]c(=O)c1=O ZINC000267706472 1072285098 /nfs/dbraw/zinc/28/50/98/1072285098.db2.gz QIJIRMUYLBDVKT-CQSZACIVSA-N 1 2 390.440 -0.113 20 0 GBADLO CN(C)S(=O)(=O)c1ccsc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267741944 530219126 /nfs/dbraw/zinc/21/91/26/530219126.db2.gz VSKXXJKWHAUYPQ-GFCCVEGCSA-N 1 2 391.515 -0.237 20 0 GBADLO CN(C)S(=O)(=O)c1ccsc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000267741947 530219196 /nfs/dbraw/zinc/21/91/96/530219196.db2.gz VSKXXJKWHAUYPQ-LBPRGKRZSA-N 1 2 391.515 -0.237 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+](CCO)CCO)ccc1Cl ZINC000267855356 530219622 /nfs/dbraw/zinc/21/96/22/530219622.db2.gz GAYCOWGEAHMIJD-UHFFFAOYSA-N 1 2 379.866 -0.185 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000267997409 530219940 /nfs/dbraw/zinc/21/99/40/530219940.db2.gz ANIGMNDZTNCHIH-UHFFFAOYSA-N 1 2 392.503 -0.723 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000268013870 530220003 /nfs/dbraw/zinc/22/00/03/530220003.db2.gz FZHKHNHKQVYGLH-UHFFFAOYSA-N 1 2 392.503 -0.723 20 0 GBADLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CNS(=O)(=O)c3cn(C)cn3)CC2)S1 ZINC000268041780 530219854 /nfs/dbraw/zinc/21/98/54/530219854.db2.gz QHCSOAGXDNJGSY-LLVKDONJSA-N 1 2 386.503 -0.666 20 0 GBADLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CNS(=O)(=O)c3cn(C)cn3)CC2)S1 ZINC000268041783 530219950 /nfs/dbraw/zinc/21/99/50/530219950.db2.gz QHCSOAGXDNJGSY-NSHDSACASA-N 1 2 386.503 -0.666 20 0 GBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268414800 530221764 /nfs/dbraw/zinc/22/17/64/530221764.db2.gz UTGSNYLVXFUKCM-LLVKDONJSA-N 1 2 379.479 -0.247 20 0 GBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268414800 530221762 /nfs/dbraw/zinc/22/17/62/530221762.db2.gz UTGSNYLVXFUKCM-LLVKDONJSA-N 1 2 379.479 -0.247 20 0 GBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268414803 530222067 /nfs/dbraw/zinc/22/20/67/530222067.db2.gz UTGSNYLVXFUKCM-NSHDSACASA-N 1 2 379.479 -0.247 20 0 GBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268414803 530222066 /nfs/dbraw/zinc/22/20/66/530222066.db2.gz UTGSNYLVXFUKCM-NSHDSACASA-N 1 2 379.479 -0.247 20 0 GBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268568570 530222408 /nfs/dbraw/zinc/22/24/08/530222408.db2.gz BFCDNUVHDAZSCZ-AWEZNQCLSA-N 1 2 390.531 -0.870 20 0 GBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268568570 530222407 /nfs/dbraw/zinc/22/24/07/530222407.db2.gz BFCDNUVHDAZSCZ-AWEZNQCLSA-N 1 2 390.531 -0.870 20 0 GBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268568572 530222383 /nfs/dbraw/zinc/22/23/83/530222383.db2.gz BFCDNUVHDAZSCZ-CQSZACIVSA-N 1 2 390.531 -0.870 20 0 GBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268568572 530222381 /nfs/dbraw/zinc/22/23/81/530222381.db2.gz BFCDNUVHDAZSCZ-CQSZACIVSA-N 1 2 390.531 -0.870 20 0 GBADLO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCC[NH+]1CCSCC1 ZINC000268607480 530222438 /nfs/dbraw/zinc/22/24/38/530222438.db2.gz LDJKWIDBMTUZQN-UHFFFAOYSA-N 1 2 393.556 -0.067 20 0 GBADLO COCC[NH+]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000268635589 530222457 /nfs/dbraw/zinc/22/24/57/530222457.db2.gz PXZQACZGFJBSOI-UHFFFAOYSA-N 1 2 391.515 -0.441 20 0 GBADLO CNS(=O)(=O)c1csc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000268674386 530222656 /nfs/dbraw/zinc/22/26/56/530222656.db2.gz OAVRIQQBSRIHJQ-UHFFFAOYSA-N 1 2 388.515 -0.108 20 0 GBADLO COc1ccc(S(=O)(=O)N2CCC[N@@H+](CCNS(C)(=O)=O)CC2)cc1 ZINC000268847320 530223083 /nfs/dbraw/zinc/22/30/83/530223083.db2.gz AVAKGMSYFDIFIA-UHFFFAOYSA-N 1 2 391.515 -0.059 20 0 GBADLO COc1ccc(S(=O)(=O)N2CCC[N@H+](CCNS(C)(=O)=O)CC2)cc1 ZINC000268847320 530223081 /nfs/dbraw/zinc/22/30/81/530223081.db2.gz AVAKGMSYFDIFIA-UHFFFAOYSA-N 1 2 391.515 -0.059 20 0 GBADLO COc1ncc(Cl)c(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000269091620 530223256 /nfs/dbraw/zinc/22/32/56/530223256.db2.gz OQSDLXXWOYHBEL-UHFFFAOYSA-N 1 2 390.897 -0.247 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3cnc(Cl)cn3)CC2)CC1 ZINC000269102161 530223103 /nfs/dbraw/zinc/22/31/03/530223103.db2.gz AJCKDUOGGQJWPY-UHFFFAOYSA-N 1 2 388.881 -0.620 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)s1 ZINC000269339264 530223430 /nfs/dbraw/zinc/22/34/30/530223430.db2.gz FOMFJSAPMRHADW-CYBMUJFWSA-N 1 2 389.547 -0.120 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)s1 ZINC000269339264 530223428 /nfs/dbraw/zinc/22/34/28/530223428.db2.gz FOMFJSAPMRHADW-CYBMUJFWSA-N 1 2 389.547 -0.120 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)s1 ZINC000269339267 530223414 /nfs/dbraw/zinc/22/34/14/530223414.db2.gz FOMFJSAPMRHADW-ZDUSSCGKSA-N 1 2 389.547 -0.120 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)s1 ZINC000269339267 530223413 /nfs/dbraw/zinc/22/34/13/530223413.db2.gz FOMFJSAPMRHADW-ZDUSSCGKSA-N 1 2 389.547 -0.120 20 0 GBADLO CN(CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)S(=O)(=O)c1cccs1 ZINC000269347102 530223561 /nfs/dbraw/zinc/22/35/61/530223561.db2.gz IUYOJNZKAOHOPQ-CYBMUJFWSA-N 1 2 389.547 -0.086 20 0 GBADLO CN(CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)S(=O)(=O)c1cccs1 ZINC000269347102 530223560 /nfs/dbraw/zinc/22/35/60/530223560.db2.gz IUYOJNZKAOHOPQ-CYBMUJFWSA-N 1 2 389.547 -0.086 20 0 GBADLO CN(CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)S(=O)(=O)c1cccs1 ZINC000269347103 530223658 /nfs/dbraw/zinc/22/36/58/530223658.db2.gz IUYOJNZKAOHOPQ-ZDUSSCGKSA-N 1 2 389.547 -0.086 20 0 GBADLO CN(CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)S(=O)(=O)c1cccs1 ZINC000269347103 530223656 /nfs/dbraw/zinc/22/36/56/530223656.db2.gz IUYOJNZKAOHOPQ-ZDUSSCGKSA-N 1 2 389.547 -0.086 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NCC[NH+]2CCOCC2)s1 ZINC000269351241 530223580 /nfs/dbraw/zinc/22/35/80/530223580.db2.gz KMWHEUPPYXENHW-UHFFFAOYSA-N 1 2 376.504 -0.034 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000269446840 530223993 /nfs/dbraw/zinc/22/39/93/530223993.db2.gz CSBMBZPUXKUWFG-CYBMUJFWSA-N 1 2 389.547 -0.039 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000269446842 530223932 /nfs/dbraw/zinc/22/39/32/530223932.db2.gz CSBMBZPUXKUWFG-ZDUSSCGKSA-N 1 2 389.547 -0.039 20 0 GBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000269531496 530224508 /nfs/dbraw/zinc/22/45/08/530224508.db2.gz YRDIBKMJGZKFDI-GFCCVEGCSA-N 1 2 375.520 -0.429 20 0 GBADLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000269531496 530224506 /nfs/dbraw/zinc/22/45/06/530224506.db2.gz YRDIBKMJGZKFDI-GFCCVEGCSA-N 1 2 375.520 -0.429 20 0 GBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000269531498 530224693 /nfs/dbraw/zinc/22/46/93/530224693.db2.gz YRDIBKMJGZKFDI-LBPRGKRZSA-N 1 2 375.520 -0.429 20 0 GBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000269531498 530224692 /nfs/dbraw/zinc/22/46/92/530224692.db2.gz YRDIBKMJGZKFDI-LBPRGKRZSA-N 1 2 375.520 -0.429 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1Br ZINC000269574532 530224492 /nfs/dbraw/zinc/22/44/92/530224492.db2.gz DLZUZUDJDOEUOF-UHFFFAOYSA-N 1 2 392.275 -0.153 20 0 GBADLO NS(=O)(=O)CCN1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000269621203 530224951 /nfs/dbraw/zinc/22/49/51/530224951.db2.gz IJJCCQFVLQTHDU-CYBMUJFWSA-N 1 2 377.894 -0.014 20 0 GBADLO NS(=O)(=O)CCN1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000269621206 530224866 /nfs/dbraw/zinc/22/48/66/530224866.db2.gz IJJCCQFVLQTHDU-ZDUSSCGKSA-N 1 2 377.894 -0.014 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)cc1F ZINC000269653080 530224792 /nfs/dbraw/zinc/22/47/92/530224792.db2.gz IGJCXNAVAPARKE-UHFFFAOYSA-N 1 2 381.451 -0.504 20 0 GBADLO O=S(=O)(c1ccc(N2CCCS2(=O)=O)cc1)N1CC[NH+](CCO)CC1 ZINC000269655751 530225097 /nfs/dbraw/zinc/22/50/97/530225097.db2.gz JQBZXVIWSXHFEP-UHFFFAOYSA-N 1 2 389.499 -0.475 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000269671154 530225138 /nfs/dbraw/zinc/22/51/38/530225138.db2.gz DPKGAVBEYHSOET-OAHLLOKOSA-N 1 2 376.500 -0.630 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000269671154 530225137 /nfs/dbraw/zinc/22/51/37/530225137.db2.gz DPKGAVBEYHSOET-OAHLLOKOSA-N 1 2 376.500 -0.630 20 0 GBADLO CS(=O)(=O)NCCCNc1cc(NCCCNS(C)(=O)=O)[nH+]cn1 ZINC000269722171 530225111 /nfs/dbraw/zinc/22/51/11/530225111.db2.gz SXHNLEKCKMBJIV-UHFFFAOYSA-N 1 2 380.496 -0.821 20 0 GBADLO CCc1ncsc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000269758274 530114936 /nfs/dbraw/zinc/11/49/36/530114936.db2.gz ZGWHOCSGMBFJBY-UHFFFAOYSA-N 1 2 387.531 -0.045 20 0 GBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000269769597 1072798000 /nfs/dbraw/zinc/79/80/00/1072798000.db2.gz FMKDIXOQCOCVQJ-GFCCVEGCSA-N 1 2 381.454 -0.010 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000269773239 530225447 /nfs/dbraw/zinc/22/54/47/530225447.db2.gz GKZSSIHLDNXCQD-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000269773239 530225445 /nfs/dbraw/zinc/22/54/45/530225445.db2.gz GKZSSIHLDNXCQD-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000269773241 530225853 /nfs/dbraw/zinc/22/58/53/530225853.db2.gz GKZSSIHLDNXCQD-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000269773241 530225852 /nfs/dbraw/zinc/22/58/52/530225852.db2.gz GKZSSIHLDNXCQD-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000269773243 530225918 /nfs/dbraw/zinc/22/59/18/530225918.db2.gz GKZSSIHLDNXCQD-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000269773243 530225917 /nfs/dbraw/zinc/22/59/17/530225917.db2.gz GKZSSIHLDNXCQD-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000269773245 530225743 /nfs/dbraw/zinc/22/57/43/530225743.db2.gz GKZSSIHLDNXCQD-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000269773245 530225741 /nfs/dbraw/zinc/22/57/41/530225741.db2.gz GKZSSIHLDNXCQD-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000269774714 530225908 /nfs/dbraw/zinc/22/59/08/530225908.db2.gz GWCIMVJMURTDAT-CYBMUJFWSA-N 1 2 391.515 -0.328 20 0 GBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000269774718 530225870 /nfs/dbraw/zinc/22/58/70/530225870.db2.gz GWCIMVJMURTDAT-ZDUSSCGKSA-N 1 2 391.515 -0.328 20 0 GBADLO COCC[N@@H+](C)CCNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000269800442 530225813 /nfs/dbraw/zinc/22/58/13/530225813.db2.gz MBWMZVMXKMZEHI-GFCCVEGCSA-N 1 2 379.504 -0.240 20 0 GBADLO COCC[N@H+](C)CCNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000269800442 530225811 /nfs/dbraw/zinc/22/58/11/530225811.db2.gz MBWMZVMXKMZEHI-GFCCVEGCSA-N 1 2 379.504 -0.240 20 0 GBADLO COCC[N@@H+](C)CCNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000269800444 530225791 /nfs/dbraw/zinc/22/57/91/530225791.db2.gz MBWMZVMXKMZEHI-LBPRGKRZSA-N 1 2 379.504 -0.240 20 0 GBADLO COCC[N@H+](C)CCNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000269800444 530225788 /nfs/dbraw/zinc/22/57/88/530225788.db2.gz MBWMZVMXKMZEHI-LBPRGKRZSA-N 1 2 379.504 -0.240 20 0 GBADLO COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000269811030 530225736 /nfs/dbraw/zinc/22/57/36/530225736.db2.gz OVSRYMZQBQEZCG-CHWSQXEVSA-N 1 2 391.515 -0.097 20 0 GBADLO COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000269811030 530225734 /nfs/dbraw/zinc/22/57/34/530225734.db2.gz OVSRYMZQBQEZCG-CHWSQXEVSA-N 1 2 391.515 -0.097 20 0 GBADLO COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000269811032 530225863 /nfs/dbraw/zinc/22/58/63/530225863.db2.gz OVSRYMZQBQEZCG-OLZOCXBDSA-N 1 2 391.515 -0.097 20 0 GBADLO COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000269811032 530225861 /nfs/dbraw/zinc/22/58/61/530225861.db2.gz OVSRYMZQBQEZCG-OLZOCXBDSA-N 1 2 391.515 -0.097 20 0 GBADLO COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000269811035 530225669 /nfs/dbraw/zinc/22/56/69/530225669.db2.gz OVSRYMZQBQEZCG-QWHCGFSZSA-N 1 2 391.515 -0.097 20 0 GBADLO COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000269811035 530225667 /nfs/dbraw/zinc/22/56/67/530225667.db2.gz OVSRYMZQBQEZCG-QWHCGFSZSA-N 1 2 391.515 -0.097 20 0 GBADLO COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000269811037 530225894 /nfs/dbraw/zinc/22/58/94/530225894.db2.gz OVSRYMZQBQEZCG-STQMWFEESA-N 1 2 391.515 -0.097 20 0 GBADLO COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000269811037 530225893 /nfs/dbraw/zinc/22/58/93/530225893.db2.gz OVSRYMZQBQEZCG-STQMWFEESA-N 1 2 391.515 -0.097 20 0 GBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000269875983 530226421 /nfs/dbraw/zinc/22/64/21/530226421.db2.gz VDVXEGAIGMPYGK-CYBMUJFWSA-N 1 2 391.515 -0.328 20 0 GBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000269875985 530226416 /nfs/dbraw/zinc/22/64/16/530226416.db2.gz VDVXEGAIGMPYGK-ZDUSSCGKSA-N 1 2 391.515 -0.328 20 0 GBADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000269924044 530226457 /nfs/dbraw/zinc/22/64/57/530226457.db2.gz NPZCQRLCSKUIQT-UHFFFAOYSA-N 1 2 388.877 -0.200 20 0 GBADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000269924044 530226454 /nfs/dbraw/zinc/22/64/54/530226454.db2.gz NPZCQRLCSKUIQT-UHFFFAOYSA-N 1 2 388.877 -0.200 20 0 GBADLO NC(=O)[C@H]1CC(C(=O)NCCC[N@H+]2CCNC(=O)C2)=NN1c1ccc(F)cc1 ZINC000269957373 1072329728 /nfs/dbraw/zinc/32/97/28/1072329728.db2.gz XKAXAFVXERSIEG-OAHLLOKOSA-N 1 2 390.419 -0.816 20 0 GBADLO NC(=O)[C@H]1CC(C(=O)NCCC[N@@H+]2CCNC(=O)C2)=NN1c1ccc(F)cc1 ZINC000269957373 1072329718 /nfs/dbraw/zinc/32/97/18/1072329718.db2.gz XKAXAFVXERSIEG-OAHLLOKOSA-N 1 2 390.419 -0.816 20 0 GBADLO Cc1oc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000270202866 530227454 /nfs/dbraw/zinc/22/74/54/530227454.db2.gz CMVNTWILXVKOQJ-GFCCVEGCSA-N 1 2 375.447 -0.739 20 0 GBADLO Cc1oc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000270202868 530227298 /nfs/dbraw/zinc/22/72/98/530227298.db2.gz CMVNTWILXVKOQJ-LBPRGKRZSA-N 1 2 375.447 -0.739 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000270381012 530227517 /nfs/dbraw/zinc/22/75/17/530227517.db2.gz NUMTWLBYNIQMHG-CVEARBPZSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000270381012 530227515 /nfs/dbraw/zinc/22/75/15/530227515.db2.gz NUMTWLBYNIQMHG-CVEARBPZSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000270381801 530227522 /nfs/dbraw/zinc/22/75/22/530227522.db2.gz NUMTWLBYNIQMHG-HOTGVXAUSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000270381801 530227520 /nfs/dbraw/zinc/22/75/20/530227520.db2.gz NUMTWLBYNIQMHG-HOTGVXAUSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000270381802 530227493 /nfs/dbraw/zinc/22/74/93/530227493.db2.gz NUMTWLBYNIQMHG-HZPDHXFCSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000270381802 530227491 /nfs/dbraw/zinc/22/74/91/530227491.db2.gz NUMTWLBYNIQMHG-HZPDHXFCSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000270381803 530227386 /nfs/dbraw/zinc/22/73/86/530227386.db2.gz NUMTWLBYNIQMHG-JKSUJKDBSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000270381803 530227384 /nfs/dbraw/zinc/22/73/84/530227384.db2.gz NUMTWLBYNIQMHG-JKSUJKDBSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)NCCc1ccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)s1 ZINC000270989565 530228763 /nfs/dbraw/zinc/22/87/63/530228763.db2.gz KJTNEECPEGKXOS-UHFFFAOYSA-N 1 2 388.515 -0.609 20 0 GBADLO CS(=O)(=O)NCCc1ccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)s1 ZINC000270989565 530228760 /nfs/dbraw/zinc/22/87/60/530228760.db2.gz KJTNEECPEGKXOS-UHFFFAOYSA-N 1 2 388.515 -0.609 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000271009078 530228832 /nfs/dbraw/zinc/22/88/32/530228832.db2.gz GSYIBDXLDGXAIG-LLVKDONJSA-N 1 2 391.877 -0.248 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000271009082 530228822 /nfs/dbraw/zinc/22/88/22/530228822.db2.gz GSYIBDXLDGXAIG-NSHDSACASA-N 1 2 391.877 -0.248 20 0 GBADLO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000271100375 530228685 /nfs/dbraw/zinc/22/86/85/530228685.db2.gz LCEOUYZPCZZMJA-UHFFFAOYSA-N 1 2 391.877 -0.107 20 0 GBADLO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000271100375 530228683 /nfs/dbraw/zinc/22/86/83/530228683.db2.gz LCEOUYZPCZZMJA-UHFFFAOYSA-N 1 2 391.877 -0.107 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(Cc3cc(C(N)=O)cs3)CC2)CC1 ZINC000271100838 530124876 /nfs/dbraw/zinc/12/48/76/530124876.db2.gz QFMAHDXURQDQLX-UHFFFAOYSA-N 1 2 387.531 -0.543 20 0 GBADLO COC(=O)c1cc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c[nH]1 ZINC000271102008 1073229216 /nfs/dbraw/zinc/22/92/16/1073229216.db2.gz RCFHDXAVTZXXNN-UHFFFAOYSA-N 1 2 385.490 -0.589 20 0 GBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271162996 530229064 /nfs/dbraw/zinc/22/90/64/530229064.db2.gz ZSFLBOQLHKUUQH-GFCCVEGCSA-N 1 2 390.893 -0.272 20 0 GBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271162996 530229062 /nfs/dbraw/zinc/22/90/62/530229062.db2.gz ZSFLBOQLHKUUQH-GFCCVEGCSA-N 1 2 390.893 -0.272 20 0 GBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271162997 530229148 /nfs/dbraw/zinc/22/91/48/530229148.db2.gz ZSFLBOQLHKUUQH-LBPRGKRZSA-N 1 2 390.893 -0.272 20 0 GBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271162997 530229147 /nfs/dbraw/zinc/22/91/47/530229147.db2.gz ZSFLBOQLHKUUQH-LBPRGKRZSA-N 1 2 390.893 -0.272 20 0 GBADLO CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)cc1F ZINC000271230421 530229204 /nfs/dbraw/zinc/22/92/04/530229204.db2.gz UFLCKTLJYJOQBS-UHFFFAOYSA-N 1 2 395.478 -0.114 20 0 GBADLO Cn1cc(Br)cc(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1=O ZINC000271353873 530229523 /nfs/dbraw/zinc/22/95/23/530229523.db2.gz HNNHMPAYRSRRQC-LLVKDONJSA-N 1 2 389.250 -0.038 20 0 GBADLO Cn1cc(Br)cc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1=O ZINC000271353877 530229643 /nfs/dbraw/zinc/22/96/43/530229643.db2.gz HNNHMPAYRSRRQC-NSHDSACASA-N 1 2 389.250 -0.038 20 0 GBADLO CN(CC(C)(CO)CO)c1nc(N(C)CC(C)(CO)CO)c(Cl)c[nH+]1 ZINC000271583054 530230201 /nfs/dbraw/zinc/23/02/01/530230201.db2.gz DXONKPUWVAVIMY-UHFFFAOYSA-N 1 2 376.885 -0.016 20 0 GBADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000271673988 530230213 /nfs/dbraw/zinc/23/02/13/530230213.db2.gz DWNWSIREOYCCEX-UHFFFAOYSA-N 1 2 389.861 -0.182 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@H](C)C1 ZINC000271723752 1072360293 /nfs/dbraw/zinc/36/02/93/1072360293.db2.gz LJXQKBLSYKJJSD-LLVKDONJSA-N 1 2 389.412 -0.257 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@H](C)C1 ZINC000271723752 1072360284 /nfs/dbraw/zinc/36/02/84/1072360284.db2.gz LJXQKBLSYKJJSD-LLVKDONJSA-N 1 2 389.412 -0.257 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@@H](C)C1 ZINC000271723756 1072360615 /nfs/dbraw/zinc/36/06/15/1072360615.db2.gz LJXQKBLSYKJJSD-NSHDSACASA-N 1 2 389.412 -0.257 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@@H](C)C1 ZINC000271723756 1072360603 /nfs/dbraw/zinc/36/06/03/1072360603.db2.gz LJXQKBLSYKJJSD-NSHDSACASA-N 1 2 389.412 -0.257 20 0 GBADLO Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000271725298 1072360843 /nfs/dbraw/zinc/36/08/43/1072360843.db2.gz QYDFAYNPROPSEM-UHFFFAOYSA-N 1 2 376.457 -0.093 20 0 GBADLO CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1F ZINC000271741517 1072360919 /nfs/dbraw/zinc/36/09/19/1072360919.db2.gz VZUUJJZBBOAJQM-UHFFFAOYSA-N 1 2 391.396 -0.557 20 0 GBADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000271765602 530230557 /nfs/dbraw/zinc/23/05/57/530230557.db2.gz POYGBYRUFCIFKY-CYBMUJFWSA-N 1 2 391.515 -0.328 20 0 GBADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000271765608 530230485 /nfs/dbraw/zinc/23/04/85/530230485.db2.gz POYGBYRUFCIFKY-ZDUSSCGKSA-N 1 2 391.515 -0.328 20 0 GBADLO Cn1c(N)c(C(=O)C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c(=O)n(C)c1=O ZINC000271781618 1072362591 /nfs/dbraw/zinc/36/25/91/1072362591.db2.gz PGXOCIOUDKMBOT-AWEZNQCLSA-N 1 2 399.451 -0.198 20 0 GBADLO Cn1c(N)c(C(=O)C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c(=O)n(C)c1=O ZINC000271781619 1072362246 /nfs/dbraw/zinc/36/22/46/1072362246.db2.gz PGXOCIOUDKMBOT-CQSZACIVSA-N 1 2 399.451 -0.198 20 0 GBADLO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000271793384 1072362528 /nfs/dbraw/zinc/36/25/28/1072362528.db2.gz QWTKXEQALFMXSQ-CYBMUJFWSA-N 1 2 394.476 -0.037 20 0 GBADLO COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000271793385 1072362646 /nfs/dbraw/zinc/36/26/46/1072362646.db2.gz QWTKXEQALFMXSQ-ZDUSSCGKSA-N 1 2 394.476 -0.037 20 0 GBADLO O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000271794706 1072362360 /nfs/dbraw/zinc/36/23/60/1072362360.db2.gz JVOAUPXIXQCFOA-HNNXBMFYSA-N 1 2 398.510 -0.031 20 0 GBADLO O=S(=O)([C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000271794709 1072362505 /nfs/dbraw/zinc/36/25/05/1072362505.db2.gz JVOAUPXIXQCFOA-OAHLLOKOSA-N 1 2 398.510 -0.031 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000271896590 1072364895 /nfs/dbraw/zinc/36/48/95/1072364895.db2.gz HKYSEKMBHAHPRB-UHFFFAOYSA-N 1 2 388.432 -0.946 20 0 GBADLO COCCOc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000271942524 1072367025 /nfs/dbraw/zinc/36/70/25/1072367025.db2.gz GSXGOIOMRCFWCC-INIZCTEOSA-N 1 2 392.456 -0.230 20 0 GBADLO COCCOc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000271942525 1072367087 /nfs/dbraw/zinc/36/70/87/1072367087.db2.gz GSXGOIOMRCFWCC-MRXNPFEDSA-N 1 2 392.456 -0.230 20 0 GBADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(=O)[nH]1 ZINC000271960093 1072366957 /nfs/dbraw/zinc/36/69/57/1072366957.db2.gz DJBBAXJKTXURSK-UHFFFAOYSA-N 1 2 383.474 -0.654 20 0 GBADLO CN(C)C(=O)NCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000271993187 1072367599 /nfs/dbraw/zinc/36/75/99/1072367599.db2.gz RPRIFVFRIVBWHL-UHFFFAOYSA-N 1 2 376.461 -0.102 20 0 GBADLO COC(=O)C1=C(C)O[C@@H](CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)C1 ZINC000271997776 1072367647 /nfs/dbraw/zinc/36/76/47/1072367647.db2.gz CRDXODFQFUORBD-CYBMUJFWSA-N 1 2 395.412 -0.265 20 0 GBADLO COC(=O)C1=C(C)O[C@H](CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)C1 ZINC000271997777 1072367730 /nfs/dbraw/zinc/36/77/30/1072367730.db2.gz CRDXODFQFUORBD-ZDUSSCGKSA-N 1 2 395.412 -0.265 20 0 GBADLO C[C@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CCN1S(C)(=O)=O ZINC000272049031 530231027 /nfs/dbraw/zinc/23/10/27/530231027.db2.gz SUXOCPSZAULDTA-LBPRGKRZSA-N 1 2 377.488 -0.322 20 0 GBADLO C[C@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CCN1S(C)(=O)=O ZINC000272049031 530231025 /nfs/dbraw/zinc/23/10/25/530231025.db2.gz SUXOCPSZAULDTA-LBPRGKRZSA-N 1 2 377.488 -0.322 20 0 GBADLO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC[NH+](CCCO)CC1 ZINC000272055731 530230785 /nfs/dbraw/zinc/23/07/85/530230785.db2.gz BFVOFKPSWIDYLY-UHFFFAOYSA-N 1 2 391.515 -0.705 20 0 GBADLO Cc1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)n1 ZINC000272055781 1072370470 /nfs/dbraw/zinc/37/04/70/1072370470.db2.gz SKOQBLQRXGFOMC-UHFFFAOYSA-N 1 2 382.490 -0.657 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1 ZINC000272065261 530230942 /nfs/dbraw/zinc/23/09/42/530230942.db2.gz DJPYANWTAAQOGH-UHFFFAOYSA-N 1 2 391.515 -0.374 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1F ZINC000272077334 530230862 /nfs/dbraw/zinc/23/08/62/530230862.db2.gz GOVVTDYGSKFSSV-UHFFFAOYSA-N 1 2 395.478 -0.114 20 0 GBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC(=O)N1CCOCC1 ZINC000272108609 1072372070 /nfs/dbraw/zinc/37/20/70/1072372070.db2.gz XEPAUQCXHRGBAO-UHFFFAOYSA-N 1 2 389.456 -0.515 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1 ZINC000272126942 530230845 /nfs/dbraw/zinc/23/08/45/530230845.db2.gz RJFMMRPILQUOIC-UHFFFAOYSA-N 1 2 377.488 -0.717 20 0 GBADLO COC(=O)C1=C(C)O[C@H](C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000272133613 1072372024 /nfs/dbraw/zinc/37/20/24/1072372024.db2.gz ATDYKWZPZMEAKS-AWEZNQCLSA-N 1 2 381.429 -0.775 20 0 GBADLO COC(=O)C1=C(C)O[C@@H](C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000272133616 1072372138 /nfs/dbraw/zinc/37/21/38/1072372138.db2.gz ATDYKWZPZMEAKS-CQSZACIVSA-N 1 2 381.429 -0.775 20 0 GBADLO CC(C)NS(=O)(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000272159557 530230988 /nfs/dbraw/zinc/23/09/88/530230988.db2.gz FRHNZXPZGZHBQW-UHFFFAOYSA-N 1 2 390.531 -0.045 20 0 GBADLO Cn1c2ncn(CC[N@@H+](C3CC3)[C@@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000272166341 1072372611 /nfs/dbraw/zinc/37/26/11/1072372611.db2.gz ZNRIBBRZZIUONC-GFCCVEGCSA-N 1 2 381.458 -0.915 20 0 GBADLO Cn1c2ncn(CC[N@H+](C3CC3)[C@@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000272166341 1072372599 /nfs/dbraw/zinc/37/25/99/1072372599.db2.gz ZNRIBBRZZIUONC-GFCCVEGCSA-N 1 2 381.458 -0.915 20 0 GBADLO Cn1c2ncn(CC[N@@H+](C3CC3)[C@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000272166350 1072373276 /nfs/dbraw/zinc/37/32/76/1072373276.db2.gz ZNRIBBRZZIUONC-LBPRGKRZSA-N 1 2 381.458 -0.915 20 0 GBADLO Cn1c2ncn(CC[N@H+](C3CC3)[C@H]3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O ZINC000272166350 1072373269 /nfs/dbraw/zinc/37/32/69/1072373269.db2.gz ZNRIBBRZZIUONC-LBPRGKRZSA-N 1 2 381.458 -0.915 20 0 GBADLO CC(C)Cn1ncnc1CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000272170566 1072373137 /nfs/dbraw/zinc/37/31/37/1072373137.db2.gz GBRWIFXLDNQLCW-UHFFFAOYSA-N 1 2 378.433 -0.053 20 0 GBADLO O=C(C(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1)N1CCOCC1 ZINC000272191662 1072372949 /nfs/dbraw/zinc/37/29/49/1072372949.db2.gz FTEYQGKFAAZZMO-UHFFFAOYSA-N 1 2 398.423 -0.590 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235782 1072373847 /nfs/dbraw/zinc/37/38/47/1072373847.db2.gz JLHPEKVROHKYRA-AEFFLSMTSA-N 1 2 386.514 -0.078 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235787 1072374577 /nfs/dbraw/zinc/37/45/77/1072374577.db2.gz JLHPEKVROHKYRA-FUHWJXTLSA-N 1 2 386.514 -0.078 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235791 1072375085 /nfs/dbraw/zinc/37/50/85/1072375085.db2.gz JLHPEKVROHKYRA-SJLPKXTDSA-N 1 2 386.514 -0.078 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272235795 1072374722 /nfs/dbraw/zinc/37/47/22/1072374722.db2.gz JLHPEKVROHKYRA-WMZOPIPTSA-N 1 2 386.514 -0.078 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000272239480 1072375273 /nfs/dbraw/zinc/37/52/73/1072375273.db2.gz NHTDXRPXYVQICH-LBPRGKRZSA-N 1 2 379.398 -0.892 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000272239480 1072375257 /nfs/dbraw/zinc/37/52/57/1072375257.db2.gz NHTDXRPXYVQICH-LBPRGKRZSA-N 1 2 379.398 -0.892 20 0 GBADLO COc1cccc(OCC[NH+]2CCN(C(=O)Cn3ncn(C)c3=O)CC2)c1 ZINC000272267201 1072375122 /nfs/dbraw/zinc/37/51/22/1072375122.db2.gz COXCUJGBOQSLFR-UHFFFAOYSA-N 1 2 375.429 -0.186 20 0 GBADLO O=C(Cn1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1)NCCO ZINC000272309818 1072376139 /nfs/dbraw/zinc/37/61/39/1072376139.db2.gz YDXVGFZNLDWBPS-KRWDZBQOSA-N 1 2 387.440 -0.169 20 0 GBADLO O=C(Cn1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1)NCCO ZINC000272309818 1072376129 /nfs/dbraw/zinc/37/61/29/1072376129.db2.gz YDXVGFZNLDWBPS-KRWDZBQOSA-N 1 2 387.440 -0.169 20 0 GBADLO O=C(Cn1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1)NCCO ZINC000272309820 1072375941 /nfs/dbraw/zinc/37/59/41/1072375941.db2.gz YDXVGFZNLDWBPS-QGZVFWFLSA-N 1 2 387.440 -0.169 20 0 GBADLO O=C(Cn1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1)NCCO ZINC000272309820 1072375931 /nfs/dbraw/zinc/37/59/31/1072375931.db2.gz YDXVGFZNLDWBPS-QGZVFWFLSA-N 1 2 387.440 -0.169 20 0 GBADLO CN1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccc[nH+]c21 ZINC000272323541 1072376725 /nfs/dbraw/zinc/37/67/25/1072376725.db2.gz ZHPLKUXKVBREGG-HNNXBMFYSA-N 1 2 393.513 -0.331 20 0 GBADLO CN1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccc[nH+]c21 ZINC000272323545 1072376650 /nfs/dbraw/zinc/37/66/50/1072376650.db2.gz ZHPLKUXKVBREGG-OAHLLOKOSA-N 1 2 393.513 -0.331 20 0 GBADLO O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272380267 1072378840 /nfs/dbraw/zinc/37/88/40/1072378840.db2.gz HSJZZKZFOSUSJC-CVEARBPZSA-N 1 2 391.453 -0.505 20 0 GBADLO O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272380269 1072379129 /nfs/dbraw/zinc/37/91/29/1072379129.db2.gz HSJZZKZFOSUSJC-HOTGVXAUSA-N 1 2 391.453 -0.505 20 0 GBADLO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272380271 1072379257 /nfs/dbraw/zinc/37/92/57/1072379257.db2.gz HSJZZKZFOSUSJC-HZPDHXFCSA-N 1 2 391.453 -0.505 20 0 GBADLO O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272380273 1072379103 /nfs/dbraw/zinc/37/91/03/1072379103.db2.gz HSJZZKZFOSUSJC-JKSUJKDBSA-N 1 2 391.453 -0.505 20 0 GBADLO Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1O ZINC000272395028 1072379866 /nfs/dbraw/zinc/37/98/66/1072379866.db2.gz HFEDDIWNJQYITR-UHFFFAOYSA-N 1 2 382.486 -0.049 20 0 GBADLO Cn1cnn(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1=O ZINC000272463730 1072382865 /nfs/dbraw/zinc/38/28/65/1072382865.db2.gz SGMLQBYIODINGR-UHFFFAOYSA-N 1 2 375.429 -0.391 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000272482565 1072382466 /nfs/dbraw/zinc/38/24/66/1072382466.db2.gz QTQLUHRRGRBLAZ-APHBMKBZSA-N 1 2 395.481 -0.158 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000272482570 1072382765 /nfs/dbraw/zinc/38/27/65/1072382765.db2.gz QTQLUHRRGRBLAZ-MAZHCROVSA-N 1 2 395.481 -0.158 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000272482575 1072382538 /nfs/dbraw/zinc/38/25/38/1072382538.db2.gz QTQLUHRRGRBLAZ-RCBQFDQVSA-N 1 2 395.481 -0.158 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000272482581 1072382514 /nfs/dbraw/zinc/38/25/14/1072382514.db2.gz QTQLUHRRGRBLAZ-VBNZEHGJSA-N 1 2 395.481 -0.158 20 0 GBADLO NS(=O)(=O)c1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000272490433 530231215 /nfs/dbraw/zinc/23/12/15/530231215.db2.gz KGSQYWOUVLBROW-UHFFFAOYSA-N 1 2 377.488 -0.524 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CS(=O)(=O)C(F)(F)F)CC1 ZINC000272525216 1072383538 /nfs/dbraw/zinc/38/35/38/1072383538.db2.gz LUDAJHRRCRDGBD-UHFFFAOYSA-N 1 2 392.363 -0.054 20 0 GBADLO CCCCC[N@@H+](CC(N)=O)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000272534093 1072383721 /nfs/dbraw/zinc/38/37/21/1072383721.db2.gz IUAKWORDLOEVDY-UHFFFAOYSA-N 1 2 384.502 -0.030 20 0 GBADLO CCCCC[N@H+](CC(N)=O)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000272534093 1072383712 /nfs/dbraw/zinc/38/37/12/1072383712.db2.gz IUAKWORDLOEVDY-UHFFFAOYSA-N 1 2 384.502 -0.030 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)[C@@H](C)O)cc1 ZINC000272555789 1072385583 /nfs/dbraw/zinc/38/55/83/1072385583.db2.gz ZLOOJZOJTBRFRP-INMHGKMJSA-N 1 2 399.513 -0.140 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)O)cc1 ZINC000272555792 1072385304 /nfs/dbraw/zinc/38/53/04/1072385304.db2.gz ZLOOJZOJTBRFRP-UXLLHSPISA-N 1 2 399.513 -0.140 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)[C@H](C)O)cc1 ZINC000272555795 1072385380 /nfs/dbraw/zinc/38/53/80/1072385380.db2.gz ZLOOJZOJTBRFRP-VYDXJSESSA-N 1 2 399.513 -0.140 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)[C@H](C)O)cc1 ZINC000272555798 1072385246 /nfs/dbraw/zinc/38/52/46/1072385246.db2.gz ZLOOJZOJTBRFRP-ZOBUZTSGSA-N 1 2 399.513 -0.140 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCOCCO)c2)CC1 ZINC000272565288 1072385128 /nfs/dbraw/zinc/38/51/28/1072385128.db2.gz JETRSBBWDCRICW-UHFFFAOYSA-N 1 2 378.473 -0.112 20 0 GBADLO NS(=O)(=O)c1ccc(CCNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000272582063 530231267 /nfs/dbraw/zinc/23/12/67/530231267.db2.gz VIAFOBYDNXXWDE-UHFFFAOYSA-N 1 2 391.515 -0.482 20 0 GBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 ZINC000272587000 1072385213 /nfs/dbraw/zinc/38/52/13/1072385213.db2.gz ROPONECQZBYJRU-LLVKDONJSA-N 1 2 377.401 -0.785 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 ZINC000272587003 1072385199 /nfs/dbraw/zinc/38/51/99/1072385199.db2.gz ROPONECQZBYJRU-NSHDSACASA-N 1 2 377.401 -0.785 20 0 GBADLO CC(C)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1=O ZINC000272599593 1072386554 /nfs/dbraw/zinc/38/65/54/1072386554.db2.gz OKKNBZOGUSDDRS-UHFFFAOYSA-N 1 2 392.460 -0.767 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000272613696 1072386056 /nfs/dbraw/zinc/38/60/56/1072386056.db2.gz AEVBEXNMZXJZFU-LLVKDONJSA-N 1 2 379.461 -0.572 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000272613699 1072386242 /nfs/dbraw/zinc/38/62/42/1072386242.db2.gz AEVBEXNMZXJZFU-NSHDSACASA-N 1 2 379.461 -0.572 20 0 GBADLO CC(C)N1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000272630505 1072387209 /nfs/dbraw/zinc/38/72/09/1072387209.db2.gz WEUPUZVICJTJRH-UHFFFAOYSA-N 1 2 396.513 -0.065 20 0 GBADLO CC(C)N1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000272630505 1072387204 /nfs/dbraw/zinc/38/72/04/1072387204.db2.gz WEUPUZVICJTJRH-UHFFFAOYSA-N 1 2 396.513 -0.065 20 0 GBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCN1CCNC(=O)C1 ZINC000272640052 1072387082 /nfs/dbraw/zinc/38/70/82/1072387082.db2.gz CLPTXUGQXXXUET-UHFFFAOYSA-N 1 2 388.472 -0.942 20 0 GBADLO C[C@@H](C(=O)NCCN1CCNC(=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000272688596 1072389707 /nfs/dbraw/zinc/38/97/07/1072389707.db2.gz OVPHVMHREGNMGO-HNNXBMFYSA-N 1 2 377.464 -0.116 20 0 GBADLO C[C@H](C(=O)NCCN1CCNC(=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000272688598 1072389608 /nfs/dbraw/zinc/38/96/08/1072389608.db2.gz OVPHVMHREGNMGO-OAHLLOKOSA-N 1 2 377.464 -0.116 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000272713332 1072391102 /nfs/dbraw/zinc/39/11/02/1072391102.db2.gz ABGRMYZSZCYITI-HNNXBMFYSA-N 1 2 389.456 -0.516 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000272713334 1072391011 /nfs/dbraw/zinc/39/10/11/1072391011.db2.gz ABGRMYZSZCYITI-OAHLLOKOSA-N 1 2 389.456 -0.516 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000272736284 1072392047 /nfs/dbraw/zinc/39/20/47/1072392047.db2.gz HSBZXKOWZDEOKG-UHFFFAOYSA-N 1 2 398.431 -0.652 20 0 GBADLO COC(=O)c1ccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[nH]1 ZINC000272753893 1072393690 /nfs/dbraw/zinc/39/36/90/1072393690.db2.gz OGCFNLDRLDOJOS-UHFFFAOYSA-N 1 2 385.490 -0.589 20 0 GBADLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)CC(=O)NC(=O)NCC(F)(F)F ZINC000272770149 1072394542 /nfs/dbraw/zinc/39/45/42/1072394542.db2.gz TZXUHFLNPFZJFQ-JTQLQIEISA-N 1 2 397.398 -0.143 20 0 GBADLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)CC(=O)NC(=O)NCC(F)(F)F ZINC000272770149 1072394529 /nfs/dbraw/zinc/39/45/29/1072394529.db2.gz TZXUHFLNPFZJFQ-JTQLQIEISA-N 1 2 397.398 -0.143 20 0 GBADLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)CC(=O)NC(=O)NCC(F)(F)F ZINC000272770151 1072394572 /nfs/dbraw/zinc/39/45/72/1072394572.db2.gz TZXUHFLNPFZJFQ-SNVBAGLBSA-N 1 2 397.398 -0.143 20 0 GBADLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)CC(=O)NC(=O)NCC(F)(F)F ZINC000272770151 1072394562 /nfs/dbraw/zinc/39/45/62/1072394562.db2.gz TZXUHFLNPFZJFQ-SNVBAGLBSA-N 1 2 397.398 -0.143 20 0 GBADLO COC(C[N@@H+](CCCO)CC(=O)Nc1cccc(S(N)(=O)=O)c1)OC ZINC000272770193 530231573 /nfs/dbraw/zinc/23/15/73/530231573.db2.gz UDYPPMVOYCWNLU-UHFFFAOYSA-N 1 2 375.447 -0.424 20 0 GBADLO COC(C[N@H+](CCCO)CC(=O)Nc1cccc(S(N)(=O)=O)c1)OC ZINC000272770193 530231572 /nfs/dbraw/zinc/23/15/72/530231572.db2.gz UDYPPMVOYCWNLU-UHFFFAOYSA-N 1 2 375.447 -0.424 20 0 GBADLO CO[C@H](C)C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000272771774 530231726 /nfs/dbraw/zinc/23/17/26/530231726.db2.gz FLMLUFOHZQZPJI-GFCCVEGCSA-N 1 2 377.488 -0.325 20 0 GBADLO CO[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000272771777 530231866 /nfs/dbraw/zinc/23/18/66/530231866.db2.gz FLMLUFOHZQZPJI-LBPRGKRZSA-N 1 2 377.488 -0.325 20 0 GBADLO CN(CC(C)(CO)CO)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000272803070 1072396342 /nfs/dbraw/zinc/39/63/42/1072396342.db2.gz YXLJMWWNSLETEU-UHFFFAOYSA-N 1 2 378.473 -0.040 20 0 GBADLO COc1ncncc1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000272814090 1072397201 /nfs/dbraw/zinc/39/72/01/1072397201.db2.gz CEOFNXNUJCHNJX-UHFFFAOYSA-N 1 2 390.444 -0.420 20 0 GBADLO COc1ncncc1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000272814090 1072397198 /nfs/dbraw/zinc/39/71/98/1072397198.db2.gz CEOFNXNUJCHNJX-UHFFFAOYSA-N 1 2 390.444 -0.420 20 0 GBADLO CNC(=O)[C@H]1CN(Cc2ccc(C[N@H+]3CCO[C@@H](C(=O)NC)C3)cc2)CCO1 ZINC000272817645 1072396968 /nfs/dbraw/zinc/39/69/68/1072396968.db2.gz DQNRRHNMAFPOKM-QZTJIDSGSA-N 1 2 390.484 -0.420 20 0 GBADLO CNC(=O)[C@H]1CN(Cc2ccc(C[N@@H+]3CCO[C@@H](C(=O)NC)C3)cc2)CCO1 ZINC000272817645 1072396960 /nfs/dbraw/zinc/39/69/60/1072396960.db2.gz DQNRRHNMAFPOKM-QZTJIDSGSA-N 1 2 390.484 -0.420 20 0 GBADLO CNC(=O)[C@@H]1CN(Cc2ccc(C[N@H+]3CCO[C@H](C(=O)NC)C3)cc2)CCO1 ZINC000272817647 1072397484 /nfs/dbraw/zinc/39/74/84/1072397484.db2.gz DQNRRHNMAFPOKM-ROUUACIJSA-N 1 2 390.484 -0.420 20 0 GBADLO CNC(=O)[C@@H]1CN(Cc2ccc(C[N@@H+]3CCO[C@H](C(=O)NC)C3)cc2)CCO1 ZINC000272817647 1072397475 /nfs/dbraw/zinc/39/74/75/1072397475.db2.gz DQNRRHNMAFPOKM-ROUUACIJSA-N 1 2 390.484 -0.420 20 0 GBADLO COc1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1-n1cnnn1 ZINC000272825187 1072398266 /nfs/dbraw/zinc/39/82/66/1072398266.db2.gz NPXDAQDOHJUKSG-AWEZNQCLSA-N 1 2 376.417 -0.564 20 0 GBADLO COc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1-n1cnnn1 ZINC000272825190 1072398227 /nfs/dbraw/zinc/39/82/27/1072398227.db2.gz NPXDAQDOHJUKSG-CQSZACIVSA-N 1 2 376.417 -0.564 20 0 GBADLO COc1ncncc1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000272841006 1072398770 /nfs/dbraw/zinc/39/87/70/1072398770.db2.gz GMIWDVKOEHQZBQ-UHFFFAOYSA-N 1 2 397.399 -0.551 20 0 GBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000272841154 1072399059 /nfs/dbraw/zinc/39/90/59/1072399059.db2.gz GPVKUYYTCKIJAA-UHFFFAOYSA-N 1 2 399.455 -0.385 20 0 GBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCNC(=O)c1ccn[nH]1 ZINC000272848975 1072399808 /nfs/dbraw/zinc/39/98/08/1072399808.db2.gz RTAOFKPSOOULPV-UHFFFAOYSA-N 1 2 399.455 -0.220 20 0 GBADLO CNC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C(=O)OC)cc2OC)CCO1 ZINC000272899370 1072403535 /nfs/dbraw/zinc/40/35/35/1072403535.db2.gz PHBGRIKTWAXIRT-BBRMVZONSA-N 1 2 382.413 -0.332 20 0 GBADLO CNC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C(=O)OC)cc2OC)CCO1 ZINC000272899370 1072403529 /nfs/dbraw/zinc/40/35/29/1072403529.db2.gz PHBGRIKTWAXIRT-BBRMVZONSA-N 1 2 382.413 -0.332 20 0 GBADLO CNC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C(=O)OC)cc2OC)CCO1 ZINC000272899377 1072403043 /nfs/dbraw/zinc/40/30/43/1072403043.db2.gz PHBGRIKTWAXIRT-CJNGLKHVSA-N 1 2 382.413 -0.332 20 0 GBADLO CNC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C(=O)OC)cc2OC)CCO1 ZINC000272899377 1072403038 /nfs/dbraw/zinc/40/30/38/1072403038.db2.gz PHBGRIKTWAXIRT-CJNGLKHVSA-N 1 2 382.413 -0.332 20 0 GBADLO CNC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C(=O)OC)cc2OC)CCO1 ZINC000272899381 1072403410 /nfs/dbraw/zinc/40/34/10/1072403410.db2.gz PHBGRIKTWAXIRT-CZUORRHYSA-N 1 2 382.413 -0.332 20 0 GBADLO CNC(=O)[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C(=O)OC)cc2OC)CCO1 ZINC000272899381 1072403407 /nfs/dbraw/zinc/40/34/07/1072403407.db2.gz PHBGRIKTWAXIRT-CZUORRHYSA-N 1 2 382.413 -0.332 20 0 GBADLO CNC(=O)[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C(=O)OC)cc2OC)CCO1 ZINC000272899386 1072403306 /nfs/dbraw/zinc/40/33/06/1072403306.db2.gz PHBGRIKTWAXIRT-XJKSGUPXSA-N 1 2 382.413 -0.332 20 0 GBADLO CNC(=O)[C@H]1C[N@H+](C[C@H](O)COc2ccc(C(=O)OC)cc2OC)CCO1 ZINC000272899386 1072403303 /nfs/dbraw/zinc/40/33/03/1072403303.db2.gz PHBGRIKTWAXIRT-XJKSGUPXSA-N 1 2 382.413 -0.332 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000272921412 1072404980 /nfs/dbraw/zinc/40/49/80/1072404980.db2.gz KHIHBVQUJPNBIX-GOSISDBHSA-N 1 2 389.500 -0.339 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000272921416 1072405406 /nfs/dbraw/zinc/40/54/06/1072405406.db2.gz KHIHBVQUJPNBIX-SFHVURJKSA-N 1 2 389.500 -0.339 20 0 GBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(CC(=O)N(C)C)CC2)c(=O)[nH]c1=O ZINC000272925104 1072405443 /nfs/dbraw/zinc/40/54/43/1072405443.db2.gz OVDWAKSWIYNIKZ-UHFFFAOYSA-N 1 2 395.460 -0.450 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc2)CC1 ZINC000272928272 1072405424 /nfs/dbraw/zinc/40/54/24/1072405424.db2.gz BYSQFZNZVQIEDC-UHFFFAOYSA-N 1 2 397.501 -0.833 20 0 GBADLO CNC(=O)[C@H]1CN(Cc2cccc(C[N@H+]3CCO[C@@H](C(=O)NC)C3)c2)CCO1 ZINC000272929644 1072406069 /nfs/dbraw/zinc/40/60/69/1072406069.db2.gz VBQZNVZWBFTRJD-QZTJIDSGSA-N 1 2 390.484 -0.420 20 0 GBADLO CNC(=O)[C@H]1CN(Cc2cccc(C[N@@H+]3CCO[C@@H](C(=O)NC)C3)c2)CCO1 ZINC000272929644 1072406067 /nfs/dbraw/zinc/40/60/67/1072406067.db2.gz VBQZNVZWBFTRJD-QZTJIDSGSA-N 1 2 390.484 -0.420 20 0 GBADLO CNC(=O)[C@@H]1CN(Cc2cccc(C[N@H+]3CCO[C@H](C(=O)NC)C3)c2)CCO1 ZINC000272929646 1072406012 /nfs/dbraw/zinc/40/60/12/1072406012.db2.gz VBQZNVZWBFTRJD-ROUUACIJSA-N 1 2 390.484 -0.420 20 0 GBADLO CNC(=O)[C@@H]1CN(Cc2cccc(C[N@@H+]3CCO[C@H](C(=O)NC)C3)c2)CCO1 ZINC000272929646 1072406008 /nfs/dbraw/zinc/40/60/08/1072406008.db2.gz VBQZNVZWBFTRJD-ROUUACIJSA-N 1 2 390.484 -0.420 20 0 GBADLO COC[C@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)OC ZINC000272944127 1072406930 /nfs/dbraw/zinc/40/69/30/1072406930.db2.gz MFJQRMNLXWRQGR-HNNXBMFYSA-N 1 2 394.476 -0.194 20 0 GBADLO COC[C@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)OC ZINC000272944127 1072406923 /nfs/dbraw/zinc/40/69/23/1072406923.db2.gz MFJQRMNLXWRQGR-HNNXBMFYSA-N 1 2 394.476 -0.194 20 0 GBADLO COC[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)OC ZINC000272944130 1072406870 /nfs/dbraw/zinc/40/68/70/1072406870.db2.gz MFJQRMNLXWRQGR-OAHLLOKOSA-N 1 2 394.476 -0.194 20 0 GBADLO COC[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)OC ZINC000272944130 1072406869 /nfs/dbraw/zinc/40/68/69/1072406869.db2.gz MFJQRMNLXWRQGR-OAHLLOKOSA-N 1 2 394.476 -0.194 20 0 GBADLO CNC(=O)[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000272948449 1072407277 /nfs/dbraw/zinc/40/72/77/1072407277.db2.gz YERMYZHBTQNRCY-GOSISDBHSA-N 1 2 390.484 -0.214 20 0 GBADLO CNC(=O)[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000272948453 1072406879 /nfs/dbraw/zinc/40/68/79/1072406879.db2.gz YERMYZHBTQNRCY-SFHVURJKSA-N 1 2 390.484 -0.214 20 0 GBADLO CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000272951908 1072407314 /nfs/dbraw/zinc/40/73/14/1072407314.db2.gz YSJSJSSZHNYWBN-KRWDZBQOSA-N 1 2 376.457 -0.096 20 0 GBADLO CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000272951911 1072407128 /nfs/dbraw/zinc/40/71/28/1072407128.db2.gz YSJSJSSZHNYWBN-QGZVFWFLSA-N 1 2 376.457 -0.096 20 0 GBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)CC1 ZINC000272963271 1072408087 /nfs/dbraw/zinc/40/80/87/1072408087.db2.gz HZJPNOMDBWWDSQ-CYBMUJFWSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)CC1 ZINC000272963273 1072408115 /nfs/dbraw/zinc/40/81/15/1072408115.db2.gz HZJPNOMDBWWDSQ-ZDUSSCGKSA-N 1 2 378.429 -0.272 20 0 GBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)n1 ZINC000272978482 1072408975 /nfs/dbraw/zinc/40/89/75/1072408975.db2.gz UKMIALXSFRCNLW-UHFFFAOYSA-N 1 2 399.455 -0.385 20 0 GBADLO COC(=O)c1ccc(F)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000272989921 1072409568 /nfs/dbraw/zinc/40/95/68/1072409568.db2.gz SORUSDJPIGDDOK-GFCCVEGCSA-N 1 2 383.376 -0.640 20 0 GBADLO COC(=O)c1ccc(F)cc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000272989922 1072409747 /nfs/dbraw/zinc/40/97/47/1072409747.db2.gz SORUSDJPIGDDOK-LBPRGKRZSA-N 1 2 383.376 -0.640 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cncnc2OC)CC1 ZINC000272993105 1072409654 /nfs/dbraw/zinc/40/96/54/1072409654.db2.gz WKZSWEOKNQJYAC-UHFFFAOYSA-N 1 2 392.460 -0.174 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cncnc2OC)CC1 ZINC000272993105 1072409649 /nfs/dbraw/zinc/40/96/49/1072409649.db2.gz WKZSWEOKNQJYAC-UHFFFAOYSA-N 1 2 392.460 -0.174 20 0 GBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000272996121 1072409733 /nfs/dbraw/zinc/40/97/33/1072409733.db2.gz WXGGRSLKNSAXIW-AWEZNQCLSA-N 1 2 399.455 -0.305 20 0 GBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000272996121 1072409731 /nfs/dbraw/zinc/40/97/31/1072409731.db2.gz WXGGRSLKNSAXIW-AWEZNQCLSA-N 1 2 399.455 -0.305 20 0 GBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000272996123 1072409866 /nfs/dbraw/zinc/40/98/66/1072409866.db2.gz WXGGRSLKNSAXIW-CQSZACIVSA-N 1 2 399.455 -0.305 20 0 GBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000272996123 1072409860 /nfs/dbraw/zinc/40/98/60/1072409860.db2.gz WXGGRSLKNSAXIW-CQSZACIVSA-N 1 2 399.455 -0.305 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000273011735 1072410635 /nfs/dbraw/zinc/41/06/35/1072410635.db2.gz RIZFXTPTOHUAHV-UHFFFAOYSA-N 1 2 387.444 -0.045 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000273011735 1072410631 /nfs/dbraw/zinc/41/06/31/1072410631.db2.gz RIZFXTPTOHUAHV-UHFFFAOYSA-N 1 2 387.444 -0.045 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000273016650 1072410675 /nfs/dbraw/zinc/41/06/75/1072410675.db2.gz STYXLXRDHHTPRT-UHFFFAOYSA-N 1 2 375.473 -0.176 20 0 GBADLO COc1ccccc1C[NH+]1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000273047881 1072412386 /nfs/dbraw/zinc/41/23/86/1072412386.db2.gz XCHHJEZSKUEAPE-UHFFFAOYSA-N 1 2 375.473 -0.046 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000273056090 1072412380 /nfs/dbraw/zinc/41/23/80/1072412380.db2.gz XWYBCRYADAYMLU-UHFFFAOYSA-N 1 2 375.473 -0.250 20 0 GBADLO C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000273063532 1072412971 /nfs/dbraw/zinc/41/29/71/1072412971.db2.gz IBDYSIZDMWMKMF-ASHKIFAZSA-N 1 2 396.517 -0.088 20 0 GBADLO C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000273063532 1072412968 /nfs/dbraw/zinc/41/29/68/1072412968.db2.gz IBDYSIZDMWMKMF-ASHKIFAZSA-N 1 2 396.517 -0.088 20 0 GBADLO C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000273063537 1072412782 /nfs/dbraw/zinc/41/27/82/1072412782.db2.gz IBDYSIZDMWMKMF-LOKFHWFJSA-N 1 2 396.517 -0.088 20 0 GBADLO C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000273063537 1072412771 /nfs/dbraw/zinc/41/27/71/1072412771.db2.gz IBDYSIZDMWMKMF-LOKFHWFJSA-N 1 2 396.517 -0.088 20 0 GBADLO C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000273063542 1072412724 /nfs/dbraw/zinc/41/27/24/1072412724.db2.gz IBDYSIZDMWMKMF-PGGUUEOZSA-N 1 2 396.517 -0.088 20 0 GBADLO C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000273063542 1072412719 /nfs/dbraw/zinc/41/27/19/1072412719.db2.gz IBDYSIZDMWMKMF-PGGUUEOZSA-N 1 2 396.517 -0.088 20 0 GBADLO C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000273063546 1072413433 /nfs/dbraw/zinc/41/34/33/1072413433.db2.gz IBDYSIZDMWMKMF-PWFNWSNSSA-N 1 2 396.517 -0.088 20 0 GBADLO C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000273063546 1072413423 /nfs/dbraw/zinc/41/34/23/1072413423.db2.gz IBDYSIZDMWMKMF-PWFNWSNSSA-N 1 2 396.517 -0.088 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000273066209 1072412914 /nfs/dbraw/zinc/41/29/14/1072412914.db2.gz YMKMZRLJRSDJMW-UHFFFAOYSA-N 1 2 391.472 -0.274 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000273066209 1072412909 /nfs/dbraw/zinc/41/29/09/1072412909.db2.gz YMKMZRLJRSDJMW-UHFFFAOYSA-N 1 2 391.472 -0.274 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000273073429 1072413214 /nfs/dbraw/zinc/41/32/14/1072413214.db2.gz OUWWFMYQDVCDHH-GFCCVEGCSA-N 1 2 380.445 -0.634 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000273073429 1072413199 /nfs/dbraw/zinc/41/31/99/1072413199.db2.gz OUWWFMYQDVCDHH-GFCCVEGCSA-N 1 2 380.445 -0.634 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000273073435 1072412817 /nfs/dbraw/zinc/41/28/17/1072412817.db2.gz OUWWFMYQDVCDHH-LBPRGKRZSA-N 1 2 380.445 -0.634 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000273073435 1072412806 /nfs/dbraw/zinc/41/28/06/1072412806.db2.gz OUWWFMYQDVCDHH-LBPRGKRZSA-N 1 2 380.445 -0.634 20 0 GBADLO O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000273110320 1072414975 /nfs/dbraw/zinc/41/49/75/1072414975.db2.gz NTZIMBVQVSKTEM-AWEZNQCLSA-N 1 2 387.440 -0.347 20 0 GBADLO O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000273110323 1072415130 /nfs/dbraw/zinc/41/51/30/1072415130.db2.gz NTZIMBVQVSKTEM-CQSZACIVSA-N 1 2 387.440 -0.347 20 0 GBADLO CN(CCCNC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F)S(C)(=O)=O ZINC000273148707 530232030 /nfs/dbraw/zinc/23/20/30/530232030.db2.gz WNOMXGFJDVGOFX-CYBMUJFWSA-N 1 2 379.429 -0.015 20 0 GBADLO CN(CCCNC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F)S(C)(=O)=O ZINC000273148708 530232151 /nfs/dbraw/zinc/23/21/51/530232151.db2.gz WNOMXGFJDVGOFX-ZDUSSCGKSA-N 1 2 379.429 -0.015 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1-n1ccnn1 ZINC000273180337 1072417076 /nfs/dbraw/zinc/41/70/76/1072417076.db2.gz JOSGCCBZTCDSHU-HNNXBMFYSA-N 1 2 384.440 -0.070 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1-n1ccnn1 ZINC000273180340 1072417146 /nfs/dbraw/zinc/41/71/46/1072417146.db2.gz JOSGCCBZTCDSHU-OAHLLOKOSA-N 1 2 384.440 -0.070 20 0 GBADLO COCCNC(=O)CN1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000273202348 1072417003 /nfs/dbraw/zinc/41/70/03/1072417003.db2.gz RRZPRDYQGIRNNQ-INIZCTEOSA-N 1 2 392.504 -0.288 20 0 GBADLO COCCNC(=O)CN1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000273202350 1072416837 /nfs/dbraw/zinc/41/68/37/1072416837.db2.gz RRZPRDYQGIRNNQ-MRXNPFEDSA-N 1 2 392.504 -0.288 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1)N1CCOCC1 ZINC000273208644 1072417207 /nfs/dbraw/zinc/41/72/07/1072417207.db2.gz MSSUMVNMAPITNA-GOSISDBHSA-N 1 2 375.469 -0.017 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1)N1CCOCC1 ZINC000273208650 1072417131 /nfs/dbraw/zinc/41/71/31/1072417131.db2.gz MSSUMVNMAPITNA-SFHVURJKSA-N 1 2 375.469 -0.017 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000273256203 1072417538 /nfs/dbraw/zinc/41/75/38/1072417538.db2.gz XDMILUBUPKNREZ-CYBMUJFWSA-N 1 2 378.458 -0.021 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000273256207 1072418032 /nfs/dbraw/zinc/41/80/32/1072418032.db2.gz XDMILUBUPKNREZ-ZDUSSCGKSA-N 1 2 378.458 -0.021 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2nn(C)cc2C(=O)OCC)CC1 ZINC000273302710 1072418520 /nfs/dbraw/zinc/41/85/20/1072418520.db2.gz LTLRWMUCJDACDS-UHFFFAOYSA-N 1 2 381.433 -0.284 20 0 GBADLO CCN1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1=O ZINC000273332785 1072419720 /nfs/dbraw/zinc/41/97/20/1072419720.db2.gz OBQMMKRPOAFTAR-UHFFFAOYSA-N 1 2 375.429 -0.144 20 0 GBADLO Cn1cc(Br)cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1=O ZINC000273359997 530232776 /nfs/dbraw/zinc/23/27/76/530232776.db2.gz ANQGGCSIPKWJJS-UHFFFAOYSA-N 1 2 387.234 -0.777 20 0 GBADLO O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273371913 1072420442 /nfs/dbraw/zinc/42/04/42/1072420442.db2.gz BWQDBRJOAXQXRJ-UHFFFAOYSA-N 1 2 388.424 -0.589 20 0 GBADLO CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000273382434 1072421555 /nfs/dbraw/zinc/42/15/55/1072421555.db2.gz CTSCRFRTPRNCKI-UHFFFAOYSA-N 1 2 387.444 -0.004 20 0 GBADLO O=C(Nc1ccccc1CN1CCNC1=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000273384224 1072421504 /nfs/dbraw/zinc/42/15/04/1072421504.db2.gz DAWUDYSPGNOPRP-UHFFFAOYSA-N 1 2 375.429 -0.713 20 0 GBADLO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000273384269 1072421462 /nfs/dbraw/zinc/42/14/62/1072421462.db2.gz DCEPDHYCTZYHMI-UHFFFAOYSA-N 1 2 398.485 -0.087 20 0 GBADLO O=C(Nc1cc(N2CCNC2=O)ccc1Cl)C(=O)N1CC[NH+](CCO)CC1 ZINC000273385590 1072421282 /nfs/dbraw/zinc/42/12/82/1072421282.db2.gz DGHYAHFEAUDIQZ-UHFFFAOYSA-N 1 2 395.847 -0.055 20 0 GBADLO O=C(Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273388724 1072421418 /nfs/dbraw/zinc/42/14/18/1072421418.db2.gz DRSNPHIGBDEOHW-UHFFFAOYSA-N 1 2 396.469 -0.699 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N(C)c1ccc(N2CCOCC2)[nH+]c1 ZINC000273389157 530232580 /nfs/dbraw/zinc/23/25/80/530232580.db2.gz CYULIBWQZDSLAM-UHFFFAOYSA-N 1 2 392.503 -0.377 20 0 GBADLO CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cc21 ZINC000273398498 1072421305 /nfs/dbraw/zinc/42/13/05/1072421305.db2.gz GGXQEYZQPIROQQ-UHFFFAOYSA-N 1 2 389.456 -0.146 20 0 GBADLO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000273398551 1072421540 /nfs/dbraw/zinc/42/15/40/1072421540.db2.gz GJAPUABVWLRDTD-HNNXBMFYSA-N 1 2 376.457 -0.013 20 0 GBADLO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000273398553 1072421227 /nfs/dbraw/zinc/42/12/27/1072421227.db2.gz GJAPUABVWLRDTD-OAHLLOKOSA-N 1 2 376.457 -0.013 20 0 GBADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000273398845 1072421222 /nfs/dbraw/zinc/42/12/22/1072421222.db2.gz KCHYVFIJAYCQNV-ZDUSSCGKSA-N 1 2 398.485 -0.552 20 0 GBADLO CCN1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1=O ZINC000273400116 1072421495 /nfs/dbraw/zinc/42/14/95/1072421495.db2.gz GSWJSJCPCVNFNT-UHFFFAOYSA-N 1 2 386.460 -0.824 20 0 GBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000273401451 1072421349 /nfs/dbraw/zinc/42/13/49/1072421349.db2.gz GTRCUHYZWRTOLZ-UHFFFAOYSA-N 1 2 384.458 -0.477 20 0 GBADLO O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273405469 1072422225 /nfs/dbraw/zinc/42/22/25/1072422225.db2.gz HOFTZCJFLCTRBR-UHFFFAOYSA-N 1 2 390.440 -0.766 20 0 GBADLO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000273411136 1072422330 /nfs/dbraw/zinc/42/23/30/1072422330.db2.gz IGUGYYVAYSLKML-UHFFFAOYSA-N 1 2 398.485 -0.087 20 0 GBADLO CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000273414188 1072422204 /nfs/dbraw/zinc/42/22/04/1072422204.db2.gz IRMFNEMHIOVIQT-UHFFFAOYSA-N 1 2 378.429 -0.771 20 0 GBADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000273420761 1072422284 /nfs/dbraw/zinc/42/22/84/1072422284.db2.gz JSGIIHMABJKPGH-UHFFFAOYSA-N 1 2 378.429 -0.724 20 0 GBADLO O=C(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273423516 1072422147 /nfs/dbraw/zinc/42/21/47/1072422147.db2.gz KCPKXFJRBBEBIQ-UHFFFAOYSA-N 1 2 390.440 -0.766 20 0 GBADLO O=C(Nc1cc(F)cc(N2CCOCC2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273423890 1072423334 /nfs/dbraw/zinc/42/33/34/1072423334.db2.gz KKIUJJBBRFALPB-UHFFFAOYSA-N 1 2 380.420 -0.263 20 0 GBADLO O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273425171 1072423267 /nfs/dbraw/zinc/42/32/67/1072423267.db2.gz KMGQIAKSKRURKL-UHFFFAOYSA-N 1 2 391.396 -0.242 20 0 GBADLO CN(C)c1nnc(-c2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cc2)o1 ZINC000273431375 1072422861 /nfs/dbraw/zinc/42/28/61/1072422861.db2.gz LOTLBBAXOHLCIM-UHFFFAOYSA-N 1 2 388.428 -0.122 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1S(=O)(=O)N(C)C ZINC000273431730 1072423314 /nfs/dbraw/zinc/42/33/14/1072423314.db2.gz LQXIAWJAUMGXIV-UHFFFAOYSA-N 1 2 398.485 -0.680 20 0 GBADLO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273434356 1072423350 /nfs/dbraw/zinc/42/33/50/1072423350.db2.gz LZWYTKVISDUZKN-UHFFFAOYSA-N 1 2 396.469 -0.798 20 0 GBADLO O=C(Nc1ccc(CN2CCOC2=O)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273434684 1072423179 /nfs/dbraw/zinc/42/31/79/1072423179.db2.gz MFCMSULQBIJIPU-UHFFFAOYSA-N 1 2 376.413 -0.286 20 0 GBADLO COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000273436322 1072423002 /nfs/dbraw/zinc/42/30/02/1072423002.db2.gz MMKXODXJBMGJMB-UHFFFAOYSA-N 1 2 394.428 -0.044 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c1 ZINC000273436801 530232761 /nfs/dbraw/zinc/23/27/61/530232761.db2.gz GQRWMVFFPDHIQZ-UHFFFAOYSA-N 1 2 391.515 -0.374 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1N1CCOC1=O ZINC000273437893 1072423291 /nfs/dbraw/zinc/42/32/91/1072423291.db2.gz MRGKCSWBDKSRQM-UHFFFAOYSA-N 1 2 392.412 -0.273 20 0 GBADLO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000273439362 1072423239 /nfs/dbraw/zinc/42/32/39/1072423239.db2.gz MXDUQGOMWQFFEG-UHFFFAOYSA-N 1 2 392.456 -0.138 20 0 GBADLO C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cc2)CCO1 ZINC000273439487 1072423298 /nfs/dbraw/zinc/42/32/98/1072423298.db2.gz MZIXOMZXQNFJRK-HNNXBMFYSA-N 1 2 376.457 -0.013 20 0 GBADLO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cc2)CCO1 ZINC000273439492 1072423357 /nfs/dbraw/zinc/42/33/57/1072423357.db2.gz MZIXOMZXQNFJRK-OAHLLOKOSA-N 1 2 376.457 -0.013 20 0 GBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1C ZINC000273440691 1072423206 /nfs/dbraw/zinc/42/32/06/1072423206.db2.gz NCCYWMSESUWVTN-UHFFFAOYSA-N 1 2 398.485 -0.168 20 0 GBADLO CCN1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000273441131 1072423219 /nfs/dbraw/zinc/42/32/19/1072423219.db2.gz NIVHCSVNMORDDY-UHFFFAOYSA-N 1 2 382.486 -0.453 20 0 GBADLO CCN1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000273441131 1072423215 /nfs/dbraw/zinc/42/32/15/1072423215.db2.gz NIVHCSVNMORDDY-UHFFFAOYSA-N 1 2 382.486 -0.453 20 0 GBADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000273442490 1072423117 /nfs/dbraw/zinc/42/31/17/1072423117.db2.gz NKWVPUCGCQDBFP-UHFFFAOYSA-N 1 2 398.485 -0.552 20 0 GBADLO O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[NH+](CCO)CC1 ZINC000273495942 1072423871 /nfs/dbraw/zinc/42/38/71/1072423871.db2.gz XITBGNRBQFOVND-UHFFFAOYSA-N 1 2 383.470 -0.542 20 0 GBADLO O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[NH+](CCO)CC1 ZINC000273505465 1072424819 /nfs/dbraw/zinc/42/48/19/1072424819.db2.gz ZPQMDUMPMIMJND-AWEZNQCLSA-N 1 2 375.425 -0.053 20 0 GBADLO O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[NH+](CCO)CC1 ZINC000273505467 1072424970 /nfs/dbraw/zinc/42/49/70/1072424970.db2.gz ZPQMDUMPMIMJND-CQSZACIVSA-N 1 2 375.425 -0.053 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1NS(C)(=O)=O ZINC000273512160 1072425078 /nfs/dbraw/zinc/42/50/78/1072425078.db2.gz OQOUREKQPWBIQB-UHFFFAOYSA-N 1 2 384.458 -0.558 20 0 GBADLO NC(=O)CCSc1ccccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000273512436 1072424862 /nfs/dbraw/zinc/42/48/62/1072424862.db2.gz OTGBUWPJWCGBJA-UHFFFAOYSA-N 1 2 380.470 -0.271 20 0 GBADLO COc1ncc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1C(N)=O ZINC000273516186 1072424926 /nfs/dbraw/zinc/42/49/26/1072424926.db2.gz ACIZDCVCXDSOLJ-UHFFFAOYSA-N 1 2 399.411 -0.425 20 0 GBADLO COCC[S@@](=O)Cc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000273518449 1072424936 /nfs/dbraw/zinc/42/49/36/1072424936.db2.gz PNGCGCDMERGNPR-HHHXNRCGSA-N 1 2 397.497 -0.343 20 0 GBADLO COCC[S@](=O)Cc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000273518451 1072424822 /nfs/dbraw/zinc/42/48/22/1072424822.db2.gz PNGCGCDMERGNPR-MHZLTWQESA-N 1 2 397.497 -0.343 20 0 GBADLO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c(C)c1 ZINC000273520096 1072424910 /nfs/dbraw/zinc/42/49/10/1072424910.db2.gz PUGJPLORHHYXLM-UHFFFAOYSA-N 1 2 379.413 -0.378 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000273531372 1072424953 /nfs/dbraw/zinc/42/49/53/1072424953.db2.gz RLRQJHLHRXMAGN-UHFFFAOYSA-N 1 2 384.458 -0.988 20 0 GBADLO COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000273531386 1072425030 /nfs/dbraw/zinc/42/50/30/1072425030.db2.gz RMDLMRGTQQMNQS-UHFFFAOYSA-N 1 2 378.429 -0.040 20 0 GBADLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000273535306 1072425935 /nfs/dbraw/zinc/42/59/35/1072425935.db2.gz SCUGMIAYKFDIET-UHFFFAOYSA-N 1 2 395.412 -0.435 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000273539850 1072425994 /nfs/dbraw/zinc/42/59/94/1072425994.db2.gz BCEFAVLOYOTZEJ-UHFFFAOYSA-N 1 2 398.489 -0.074 20 0 GBADLO O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273541634 1072426030 /nfs/dbraw/zinc/42/60/30/1072426030.db2.gz TYSUEYNYKZCBOX-UHFFFAOYSA-N 1 2 390.440 -0.766 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c(OCC(=O)N(C)C)c1 ZINC000273544525 1072425917 /nfs/dbraw/zinc/42/59/17/1072425917.db2.gz UHDYSLJTYLSLJE-UHFFFAOYSA-N 1 2 392.456 -0.463 20 0 GBADLO CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000273546162 1072425822 /nfs/dbraw/zinc/42/58/22/1072425822.db2.gz UNNGAFAQSAKJHL-UHFFFAOYSA-N 1 2 399.469 -0.815 20 0 GBADLO O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273546196 1072425733 /nfs/dbraw/zinc/42/57/33/1072425733.db2.gz UOLLTOYIIFPXHZ-UHFFFAOYSA-N 1 2 396.469 -0.699 20 0 GBADLO CCc1nnc(C)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000273548426 1072426136 /nfs/dbraw/zinc/42/61/36/1072426136.db2.gz YGELNUGIVXWGKP-UHFFFAOYSA-N 1 2 396.517 -0.403 20 0 GBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c(OC)c(OC)c1 ZINC000273549773 1072426006 /nfs/dbraw/zinc/42/60/06/1072426006.db2.gz UZUKOPZCRVIGLU-UHFFFAOYSA-N 1 2 395.412 -0.435 20 0 GBADLO CN(c1ccccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1)S(C)(=O)=O ZINC000273551703 1072425872 /nfs/dbraw/zinc/42/58/72/1072425872.db2.gz VHACKRZTFZOJBB-UHFFFAOYSA-N 1 2 384.458 -0.843 20 0 GBADLO Cn1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc(Br)c1=O ZINC000273553401 530232482 /nfs/dbraw/zinc/23/24/82/530232482.db2.gz VPGWLLDKGQUPQS-UHFFFAOYSA-N 1 2 387.234 -0.777 20 0 GBADLO O=C(Nc1cccc(N2CCCNC2=O)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273555357 1072425748 /nfs/dbraw/zinc/42/57/48/1072425748.db2.gz VXEPWOSECWTACE-UHFFFAOYSA-N 1 2 375.429 -0.319 20 0 GBADLO Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000273555388 1072426085 /nfs/dbraw/zinc/42/60/85/1072426085.db2.gz VXZUHNKSDUQARR-UHFFFAOYSA-N 1 2 385.424 -0.274 20 0 GBADLO O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273557027 1072425981 /nfs/dbraw/zinc/42/59/81/1072425981.db2.gz VZRYARUXIUMGMW-UHFFFAOYSA-N 1 2 380.420 -0.263 20 0 GBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1C ZINC000273557031 1072426097 /nfs/dbraw/zinc/42/60/97/1072426097.db2.gz WAAUERJOYFSVOX-UHFFFAOYSA-N 1 2 384.458 -0.974 20 0 GBADLO COC(C[N@@H+](CCCO)CC(=O)NCc1ccc(OCC(N)=O)cc1)OC ZINC000273565502 1072426832 /nfs/dbraw/zinc/42/68/32/1072426832.db2.gz FALQRLSKEHRQOR-UHFFFAOYSA-N 1 2 383.445 -0.530 20 0 GBADLO COC(C[N@H+](CCCO)CC(=O)NCc1ccc(OCC(N)=O)cc1)OC ZINC000273565502 1072426829 /nfs/dbraw/zinc/42/68/29/1072426829.db2.gz FALQRLSKEHRQOR-UHFFFAOYSA-N 1 2 383.445 -0.530 20 0 GBADLO O=C(Nc1cccc(Cl)c1-n1cncn1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273565744 1072426734 /nfs/dbraw/zinc/42/67/34/1072426734.db2.gz XIYRHLJUJPJAFT-UHFFFAOYSA-N 1 2 378.820 -0.004 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1N1CCOCC1 ZINC000273575528 1072426759 /nfs/dbraw/zinc/42/67/59/1072426759.db2.gz YTHAKTZFJYJREA-UHFFFAOYSA-N 1 2 376.457 -0.093 20 0 GBADLO CC(C)(CNC(=O)CN1CCN(c2ncc(F)cn2)CC1)[NH+]1CCOCC1 ZINC000273575943 1072426816 /nfs/dbraw/zinc/42/68/16/1072426816.db2.gz DCLTYTROMCRURS-UHFFFAOYSA-N 1 2 380.468 -0.035 20 0 GBADLO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000273580161 1072426964 /nfs/dbraw/zinc/42/69/64/1072426964.db2.gz ZNJSQNANZIGESP-UHFFFAOYSA-N 1 2 399.831 -0.033 20 0 GBADLO CCOC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000273581872 1072426674 /nfs/dbraw/zinc/42/66/74/1072426674.db2.gz ZVJQIUUJCFSMAT-UHFFFAOYSA-N 1 2 379.413 -0.297 20 0 GBADLO O=C(Nc1cccn(Cc2ccccc2)c1=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000273581897 1072426723 /nfs/dbraw/zinc/42/67/23/1072426723.db2.gz ZVTNLSFUFPYDIP-UHFFFAOYSA-N 1 2 384.436 -0.028 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c1 ZINC000273581962 530232534 /nfs/dbraw/zinc/23/25/34/530232534.db2.gz KGHMALYFXONYTR-UHFFFAOYSA-N 1 2 377.488 -0.717 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1-n1nnnc1C ZINC000273582177 1072426715 /nfs/dbraw/zinc/42/67/15/1072426715.db2.gz ZZISKABKYBVQMQ-UHFFFAOYSA-N 1 2 389.416 -0.946 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273597822 530232688 /nfs/dbraw/zinc/23/26/88/530232688.db2.gz LATXDZITXYUWLG-UHFFFAOYSA-N 1 2 377.492 -0.824 20 0 GBADLO COC(C[N@@H+](CCCO)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)OC ZINC000273603441 1072427576 /nfs/dbraw/zinc/42/75/76/1072427576.db2.gz LTQCEUSXMLMSFR-UHFFFAOYSA-N 1 2 389.474 -0.116 20 0 GBADLO COC(C[N@H+](CCCO)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)OC ZINC000273603441 1072427571 /nfs/dbraw/zinc/42/75/71/1072427571.db2.gz LTQCEUSXMLMSFR-UHFFFAOYSA-N 1 2 389.474 -0.116 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)cc[nH+]1 ZINC000273612288 1072428669 /nfs/dbraw/zinc/42/86/69/1072428669.db2.gz ROIZBXUGXWQNPT-UHFFFAOYSA-N 1 2 398.423 -0.064 20 0 GBADLO NC(=O)c1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)co1 ZINC000273637288 1072428701 /nfs/dbraw/zinc/42/87/01/1072428701.db2.gz UAAHSCFKBJSBAF-UHFFFAOYSA-N 1 2 386.412 -0.033 20 0 GBADLO NC(=O)c1cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)co1 ZINC000273637288 1072428699 /nfs/dbraw/zinc/42/86/99/1072428699.db2.gz UAAHSCFKBJSBAF-UHFFFAOYSA-N 1 2 386.412 -0.033 20 0 GBADLO CNC(=O)c1cc(S(=O)(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cn1C ZINC000273637502 1072428603 /nfs/dbraw/zinc/42/86/03/1072428603.db2.gz UDLAGHFIRBVCED-UHFFFAOYSA-N 1 2 378.458 -0.006 20 0 GBADLO Cc1nc(N2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)cc[nH+]1 ZINC000273640126 1072428620 /nfs/dbraw/zinc/42/86/20/1072428620.db2.gz UNYWIMIYVBAZIC-UHFFFAOYSA-N 1 2 383.474 -0.009 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)cc[nH+]1 ZINC000273643457 1072428716 /nfs/dbraw/zinc/42/87/16/1072428716.db2.gz ZNIZUUCERZHXDN-UHFFFAOYSA-N 1 2 398.423 -0.064 20 0 GBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cncnc2N(C)C)CC1 ZINC000273664758 1072429909 /nfs/dbraw/zinc/42/99/09/1072429909.db2.gz GZCUUQGMPZRWKP-GFCCVEGCSA-N 1 2 378.433 -0.423 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cncnc2N(C)C)CC1 ZINC000273664761 1072429709 /nfs/dbraw/zinc/42/97/09/1072429709.db2.gz GZCUUQGMPZRWKP-LBPRGKRZSA-N 1 2 378.433 -0.423 20 0 GBADLO CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000273670327 1072429620 /nfs/dbraw/zinc/42/96/20/1072429620.db2.gz JEFNQBIOGSQHQS-INIZCTEOSA-N 1 2 399.513 -0.321 20 0 GBADLO CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000273670330 1072429823 /nfs/dbraw/zinc/42/98/23/1072429823.db2.gz JEFNQBIOGSQHQS-MRXNPFEDSA-N 1 2 399.513 -0.321 20 0 GBADLO CCN(C(=O)CN1CCN(c2cc[nH+]c(C)n2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000273675151 1072429859 /nfs/dbraw/zinc/42/98/59/1072429859.db2.gz ZVFBUOYTVDLZFK-HNNXBMFYSA-N 1 2 381.502 -0.057 20 0 GBADLO CCN(C(=O)CN1CCN(c2cc[nH+]c(C)n2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000273675153 1072429679 /nfs/dbraw/zinc/42/96/79/1072429679.db2.gz ZVFBUOYTVDLZFK-OAHLLOKOSA-N 1 2 381.502 -0.057 20 0 GBADLO COC(=O)c1ncsc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000274124949 530233574 /nfs/dbraw/zinc/23/35/74/530233574.db2.gz GRIJTTMZAKKQQQ-SECBINFHSA-N 1 2 376.460 -0.452 20 0 GBADLO COC(=O)c1ncsc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000274124949 530233572 /nfs/dbraw/zinc/23/35/72/530233572.db2.gz GRIJTTMZAKKQQQ-SECBINFHSA-N 1 2 376.460 -0.452 20 0 GBADLO COC(=O)c1ncsc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000274124950 530233361 /nfs/dbraw/zinc/23/33/61/530233361.db2.gz GRIJTTMZAKKQQQ-VIFPVBQESA-N 1 2 376.460 -0.452 20 0 GBADLO COC(=O)c1ncsc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000274124950 530233358 /nfs/dbraw/zinc/23/33/58/530233358.db2.gz GRIJTTMZAKKQQQ-VIFPVBQESA-N 1 2 376.460 -0.452 20 0 GBADLO CNS(=O)(=O)c1cccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000274163290 530233559 /nfs/dbraw/zinc/23/35/59/530233559.db2.gz FUTGFKHULYQOQU-UHFFFAOYSA-N 1 2 391.515 -0.264 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCNS(=O)(=O)c1cccs1 ZINC000274176660 530233549 /nfs/dbraw/zinc/23/35/49/530233549.db2.gz AORXOGMUKOPVOJ-UHFFFAOYSA-N 1 2 397.544 -0.332 20 0 GBADLO COC(=O)c1ncsc1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000274195905 530233264 /nfs/dbraw/zinc/23/32/64/530233264.db2.gz RXCVBKNBOSWCJK-UHFFFAOYSA-N 1 2 376.460 -0.628 20 0 GBADLO NS(=O)(=O)c1cccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000274218938 530233385 /nfs/dbraw/zinc/23/33/85/530233385.db2.gz QYSUULJCOHANAU-UHFFFAOYSA-N 1 2 377.488 -0.524 20 0 GBADLO CNS(=O)(=O)c1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)s1 ZINC000274228343 530233992 /nfs/dbraw/zinc/23/39/92/530233992.db2.gz SUEWVFBDYNDYNX-UHFFFAOYSA-N 1 2 397.544 -0.202 20 0 GBADLO O=C(CNC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccccc1Br ZINC000274462872 530234124 /nfs/dbraw/zinc/23/41/24/530234124.db2.gz HTYABVUCFGJDRC-QWRGUYRKSA-N 1 2 386.246 -0.069 20 0 GBADLO O=C(CNC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccccc1Br ZINC000274462872 530234122 /nfs/dbraw/zinc/23/41/22/530234122.db2.gz HTYABVUCFGJDRC-QWRGUYRKSA-N 1 2 386.246 -0.069 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)ccc1Cl ZINC000274482579 530234141 /nfs/dbraw/zinc/23/41/41/530234141.db2.gz MUQGTLNSHXGNFY-RYUDHWBXSA-N 1 2 391.877 -0.044 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)ccc1Cl ZINC000274482579 530234139 /nfs/dbraw/zinc/23/41/39/530234139.db2.gz MUQGTLNSHXGNFY-RYUDHWBXSA-N 1 2 391.877 -0.044 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC000274497634 1072124131 /nfs/dbraw/zinc/12/41/31/1072124131.db2.gz HENYSJGGEMHSAA-UHFFFAOYSA-N 1 2 394.457 -0.229 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCSC3(CCOCC3)C2)c(=O)[nH]c1=O ZINC000274552766 1072127155 /nfs/dbraw/zinc/12/71/55/1072127155.db2.gz VFQGGYOPYJIEPZ-UHFFFAOYSA-N 1 2 398.485 -0.042 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCSC3(CCOCC3)C2)c(=O)[nH]c1=O ZINC000274552766 1072127149 /nfs/dbraw/zinc/12/71/49/1072127149.db2.gz VFQGGYOPYJIEPZ-UHFFFAOYSA-N 1 2 398.485 -0.042 20 0 GBADLO Cn1nc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC(F)F ZINC000274565115 1072127985 /nfs/dbraw/zinc/12/79/85/1072127985.db2.gz GTHVURIMOQVLJV-LLVKDONJSA-N 1 2 387.387 -0.316 20 0 GBADLO Cn1nc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC(F)F ZINC000274565120 1072127993 /nfs/dbraw/zinc/12/79/93/1072127993.db2.gz GTHVURIMOQVLJV-NSHDSACASA-N 1 2 387.387 -0.316 20 0 GBADLO CC(C)c1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)n(-c2ncccn2)n1 ZINC000274585044 1072129442 /nfs/dbraw/zinc/12/94/42/1072129442.db2.gz JETCEWGSWAUYPB-UHFFFAOYSA-N 1 2 387.444 -0.139 20 0 GBADLO CCS(=O)(=O)NCCNc1cc(NCCNS(=O)(=O)CC)[nH+]cn1 ZINC000274603198 530234395 /nfs/dbraw/zinc/23/43/95/530234395.db2.gz NLFVMTBYOGLBQV-UHFFFAOYSA-N 1 2 380.496 -0.821 20 0 GBADLO O=C(CCNc1cc(NCCC(=O)N2CCOCC2)[nH+]cn1)N1CCOCC1 ZINC000274634763 1072134175 /nfs/dbraw/zinc/13/41/75/1072134175.db2.gz ZJOWTFZWGSFXMD-UHFFFAOYSA-N 1 2 392.460 -0.202 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cn1 ZINC000274664100 1072143508 /nfs/dbraw/zinc/14/35/08/1072143508.db2.gz OAIJYRUHRQAIIR-GFCCVEGCSA-N 1 2 384.458 -0.301 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cn1 ZINC000274664101 1072143535 /nfs/dbraw/zinc/14/35/35/1072143535.db2.gz OAIJYRUHRQAIIR-LBPRGKRZSA-N 1 2 384.458 -0.301 20 0 GBADLO O=C(Nc1cc(C2CC2)nn1-c1ncccn1)C(=O)N1CC[NH+](CCO)CC1 ZINC000274675054 1072144821 /nfs/dbraw/zinc/14/48/21/1072144821.db2.gz YQXCIHMYPXGNAL-UHFFFAOYSA-N 1 2 385.428 -0.385 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cn1 ZINC000274693662 1072146849 /nfs/dbraw/zinc/14/68/49/1072146849.db2.gz MBSUFPGVZPYHBP-GFCCVEGCSA-N 1 2 384.458 -0.301 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cn1 ZINC000274693662 1072146847 /nfs/dbraw/zinc/14/68/47/1072146847.db2.gz MBSUFPGVZPYHBP-GFCCVEGCSA-N 1 2 384.458 -0.301 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cn1 ZINC000274693663 1072146990 /nfs/dbraw/zinc/14/69/90/1072146990.db2.gz MBSUFPGVZPYHBP-LBPRGKRZSA-N 1 2 384.458 -0.301 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cn1 ZINC000274693663 1072146986 /nfs/dbraw/zinc/14/69/86/1072146986.db2.gz MBSUFPGVZPYHBP-LBPRGKRZSA-N 1 2 384.458 -0.301 20 0 GBADLO CCN(C)C(=O)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000274731760 1072156086 /nfs/dbraw/zinc/15/60/86/1072156086.db2.gz BKKJRJFLXBEQGU-UHFFFAOYSA-N 1 2 391.476 -0.377 20 0 GBADLO CCN(C)C(=O)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000274731760 1072156083 /nfs/dbraw/zinc/15/60/83/1072156083.db2.gz BKKJRJFLXBEQGU-UHFFFAOYSA-N 1 2 391.476 -0.377 20 0 GBADLO CCS(=O)(=O)N1CCC(Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000274764402 1072180135 /nfs/dbraw/zinc/18/01/35/1072180135.db2.gz PVOXYWYVNUPTAZ-UHFFFAOYSA-N 1 2 382.490 -0.019 20 0 GBADLO CCS(=O)(=O)N1CCC(Nc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000274764402 1072180126 /nfs/dbraw/zinc/18/01/26/1072180126.db2.gz PVOXYWYVNUPTAZ-UHFFFAOYSA-N 1 2 382.490 -0.019 20 0 GBADLO O=C(NCCNc1cc(NCCNC(=O)c2ccn[nH]2)[nH+]cn1)c1ccn[nH]1 ZINC000274770785 1072181040 /nfs/dbraw/zinc/18/10/40/1072181040.db2.gz UIULLJVDYZSUPH-UHFFFAOYSA-N 1 2 384.404 -0.393 20 0 GBADLO O=C(NCCNC(=O)c1ccn[nH]1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000274796732 1072188366 /nfs/dbraw/zinc/18/83/66/1072188366.db2.gz DIBHUMYLHXYVQV-UHFFFAOYSA-N 1 2 376.421 -0.510 20 0 GBADLO CN(C1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1)S(C)(=O)=O ZINC000274814456 1072217991 /nfs/dbraw/zinc/21/79/91/1072217991.db2.gz OFAFQSDUVUBOHT-UHFFFAOYSA-N 1 2 382.490 -0.385 20 0 GBADLO CN(C1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1)S(C)(=O)=O ZINC000274814456 1072217981 /nfs/dbraw/zinc/21/79/81/1072217981.db2.gz OFAFQSDUVUBOHT-UHFFFAOYSA-N 1 2 382.490 -0.385 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)NC)nc2)CC1 ZINC000274819887 1072219871 /nfs/dbraw/zinc/21/98/71/1072219871.db2.gz OMVBNQLZYBGNOF-UHFFFAOYSA-N 1 2 383.474 -0.726 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)NC)nc2)CC1 ZINC000274819887 1072219865 /nfs/dbraw/zinc/21/98/65/1072219865.db2.gz OMVBNQLZYBGNOF-UHFFFAOYSA-N 1 2 383.474 -0.726 20 0 GBADLO COc1ccc(OC)c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000274848046 1072221039 /nfs/dbraw/zinc/22/10/39/1072221039.db2.gz SZVUFPBJYBOTDX-CYBMUJFWSA-N 1 2 381.429 -0.206 20 0 GBADLO COc1ccc(OC)c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000274848047 1072220489 /nfs/dbraw/zinc/22/04/89/1072220489.db2.gz SZVUFPBJYBOTDX-ZDUSSCGKSA-N 1 2 381.429 -0.206 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@H](CNS(C)(=O)=O)C3)nc[nH+]2)CC1=O ZINC000274857313 1072220931 /nfs/dbraw/zinc/22/09/31/1072220931.db2.gz ZUHRGOHADVJYNV-CYBMUJFWSA-N 1 2 382.490 -0.479 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@H](CNS(C)(=O)=O)C3)[nH+]cn2)CC1=O ZINC000274857313 1072220922 /nfs/dbraw/zinc/22/09/22/1072220922.db2.gz ZUHRGOHADVJYNV-CYBMUJFWSA-N 1 2 382.490 -0.479 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@@H](CNS(C)(=O)=O)C3)nc[nH+]2)CC1=O ZINC000274857316 1072220614 /nfs/dbraw/zinc/22/06/14/1072220614.db2.gz ZUHRGOHADVJYNV-ZDUSSCGKSA-N 1 2 382.490 -0.479 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@@H](CNS(C)(=O)=O)C3)[nH+]cn2)CC1=O ZINC000274857316 1072220605 /nfs/dbraw/zinc/22/06/05/1072220605.db2.gz ZUHRGOHADVJYNV-ZDUSSCGKSA-N 1 2 382.490 -0.479 20 0 GBADLO CCN(C)C(=O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000274862771 1072221827 /nfs/dbraw/zinc/22/18/27/1072221827.db2.gz TWQFVVVINNSKPQ-UHFFFAOYSA-N 1 2 375.473 -0.033 20 0 GBADLO COC(=O)[C@H](CC(C)C)NC(=O)CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274899606 1072224427 /nfs/dbraw/zinc/22/44/27/1072224427.db2.gz KXQJHASBSGTJOK-ZDUSSCGKSA-N 1 2 392.460 -0.129 20 0 GBADLO COC(=O)[C@H](CC(C)C)NC(=O)CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274899606 1072224420 /nfs/dbraw/zinc/22/44/20/1072224420.db2.gz KXQJHASBSGTJOK-ZDUSSCGKSA-N 1 2 392.460 -0.129 20 0 GBADLO CN1CCN(c2cc(N3CCN(c4nc(N)ns4)CC3)nc[nH+]2)CC1=O ZINC000274937656 1072226580 /nfs/dbraw/zinc/22/65/80/1072226580.db2.gz SFVSVPWRQNLMMW-UHFFFAOYSA-N 1 2 375.462 -0.485 20 0 GBADLO CN1CCN(c2cc(N3CCN(c4nc(N)ns4)CC3)[nH+]cn2)CC1=O ZINC000274937656 1072226576 /nfs/dbraw/zinc/22/65/76/1072226576.db2.gz SFVSVPWRQNLMMW-UHFFFAOYSA-N 1 2 375.462 -0.485 20 0 GBADLO CN1CCN(c2cc(NC[C@H]3CCC[C@H]3NS(C)(=O)=O)nc[nH+]2)CC1=O ZINC000274961436 1072228584 /nfs/dbraw/zinc/22/85/84/1072228584.db2.gz WSXFNDHSSFPWTM-CHWSQXEVSA-N 1 2 382.490 -0.115 20 0 GBADLO CN1CCN(c2cc(NC[C@H]3CCC[C@H]3NS(C)(=O)=O)[nH+]cn2)CC1=O ZINC000274961436 1072228575 /nfs/dbraw/zinc/22/85/75/1072228575.db2.gz WSXFNDHSSFPWTM-CHWSQXEVSA-N 1 2 382.490 -0.115 20 0 GBADLO CN1CCN(c2cc(NC[C@H]3CCC[C@@H]3NS(C)(=O)=O)nc[nH+]2)CC1=O ZINC000274961441 1072228645 /nfs/dbraw/zinc/22/86/45/1072228645.db2.gz WSXFNDHSSFPWTM-OLZOCXBDSA-N 1 2 382.490 -0.115 20 0 GBADLO CN1CCN(c2cc(NC[C@H]3CCC[C@@H]3NS(C)(=O)=O)[nH+]cn2)CC1=O ZINC000274961441 1072228640 /nfs/dbraw/zinc/22/86/40/1072228640.db2.gz WSXFNDHSSFPWTM-OLZOCXBDSA-N 1 2 382.490 -0.115 20 0 GBADLO CN1CCN(c2cc(NC[C@@H]3CCC[C@H]3NS(C)(=O)=O)nc[nH+]2)CC1=O ZINC000274961445 1072228816 /nfs/dbraw/zinc/22/88/16/1072228816.db2.gz WSXFNDHSSFPWTM-QWHCGFSZSA-N 1 2 382.490 -0.115 20 0 GBADLO CN1CCN(c2cc(NC[C@@H]3CCC[C@H]3NS(C)(=O)=O)[nH+]cn2)CC1=O ZINC000274961445 1072228813 /nfs/dbraw/zinc/22/88/13/1072228813.db2.gz WSXFNDHSSFPWTM-QWHCGFSZSA-N 1 2 382.490 -0.115 20 0 GBADLO CN1CCN(c2cc(NC[C@@H]3CCC[C@@H]3NS(C)(=O)=O)nc[nH+]2)CC1=O ZINC000274961451 1072228481 /nfs/dbraw/zinc/22/84/81/1072228481.db2.gz WSXFNDHSSFPWTM-STQMWFEESA-N 1 2 382.490 -0.115 20 0 GBADLO CN1CCN(c2cc(NC[C@@H]3CCC[C@@H]3NS(C)(=O)=O)[nH+]cn2)CC1=O ZINC000274961451 1072228478 /nfs/dbraw/zinc/22/84/78/1072228478.db2.gz WSXFNDHSSFPWTM-STQMWFEESA-N 1 2 382.490 -0.115 20 0 GBADLO CSC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000275054629 530236175 /nfs/dbraw/zinc/23/61/75/530236175.db2.gz XDQDPRNDNXTUEZ-LLVKDONJSA-N 1 2 386.499 -0.114 20 0 GBADLO CSC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000275054631 530236167 /nfs/dbraw/zinc/23/61/67/530236167.db2.gz XDQDPRNDNXTUEZ-NSHDSACASA-N 1 2 386.499 -0.114 20 0 GBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000275058137 530236183 /nfs/dbraw/zinc/23/61/83/530236183.db2.gz JFBSTIKITBJDAI-UHFFFAOYSA-N 1 2 379.433 -0.067 20 0 GBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(Cn3cncn3)CC2)c(=O)[nH]c1=O ZINC000275062772 1072239172 /nfs/dbraw/zinc/23/91/72/1072239172.db2.gz QTXIBWYOHAOEBG-UHFFFAOYSA-N 1 2 391.432 -0.636 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000275084940 1072244267 /nfs/dbraw/zinc/24/42/67/1072244267.db2.gz AFWFCQXFBJZSBJ-LBPRGKRZSA-N 1 2 376.392 -0.130 20 0 GBADLO O=C(CNC(=O)c1cccc(O)c1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000275087164 1072244586 /nfs/dbraw/zinc/24/45/86/1072244586.db2.gz AFDOCLZZJKJTMV-HNNXBMFYSA-N 1 2 390.440 -0.829 20 0 GBADLO O=C(CNC(=O)c1cccc(O)c1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000275087167 1072244655 /nfs/dbraw/zinc/24/46/55/1072244655.db2.gz AFDOCLZZJKJTMV-OAHLLOKOSA-N 1 2 390.440 -0.829 20 0 GBADLO Cn1c2[nH]c(C[N@H+]3CC[C@@H](C(=O)NCC(F)(F)F)C3)nc2c(=O)n(C)c1=O ZINC000275119736 1072248947 /nfs/dbraw/zinc/24/89/47/1072248947.db2.gz PBNGYVLNHXEZLA-MRVPVSSYSA-N 1 2 388.350 -0.539 20 0 GBADLO Cn1c2[nH]c(C[N@@H+]3CC[C@@H](C(=O)NCC(F)(F)F)C3)nc2c(=O)n(C)c1=O ZINC000275119736 1072248942 /nfs/dbraw/zinc/24/89/42/1072248942.db2.gz PBNGYVLNHXEZLA-MRVPVSSYSA-N 1 2 388.350 -0.539 20 0 GBADLO Cn1c2[nH]c(C[N@H+]3CC[C@H](C(=O)NCC(F)(F)F)C3)nc2c(=O)n(C)c1=O ZINC000275119738 1072249203 /nfs/dbraw/zinc/24/92/03/1072249203.db2.gz PBNGYVLNHXEZLA-QMMMGPOBSA-N 1 2 388.350 -0.539 20 0 GBADLO Cn1c2[nH]c(C[N@@H+]3CC[C@H](C(=O)NCC(F)(F)F)C3)nc2c(=O)n(C)c1=O ZINC000275119738 1072249193 /nfs/dbraw/zinc/24/91/93/1072249193.db2.gz PBNGYVLNHXEZLA-QMMMGPOBSA-N 1 2 388.350 -0.539 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000275145278 530236675 /nfs/dbraw/zinc/23/66/75/530236675.db2.gz QAIKYUBJTYDQPK-LBPRGKRZSA-N 1 2 375.516 -0.022 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2c(cn1)nc[nH]c2=O ZINC000275148210 1072252630 /nfs/dbraw/zinc/25/26/30/1072252630.db2.gz NHPCKAVQEWBXHB-GFCCVEGCSA-N 1 2 386.412 -0.607 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2c(cn1)nc[nH]c2=O ZINC000275148213 1072252986 /nfs/dbraw/zinc/25/29/86/1072252986.db2.gz NHPCKAVQEWBXHB-LBPRGKRZSA-N 1 2 386.412 -0.607 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(CCO)CCO)cc2)CC1 ZINC000275194566 1072255779 /nfs/dbraw/zinc/25/57/79/1072255779.db2.gz DVDRSWJKIBANIR-UHFFFAOYSA-N 1 2 378.473 -0.424 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000275212636 1072256417 /nfs/dbraw/zinc/25/64/17/1072256417.db2.gz CHUMNDLNAHSVIH-NSHDSACASA-N 1 2 377.380 -0.735 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000275224342 1072257742 /nfs/dbraw/zinc/25/77/42/1072257742.db2.gz DLSXYLFVDHVVBR-ZDUSSCGKSA-N 1 2 378.429 -0.725 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000275229215 1072257832 /nfs/dbraw/zinc/25/78/32/1072257832.db2.gz FAUVFANXCWGOMY-ZDUSSCGKSA-N 1 2 388.428 -0.966 20 0 GBADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000275229296 1072257593 /nfs/dbraw/zinc/25/75/93/1072257593.db2.gz FCCUMHBNMXMOOT-ZDUSSCGKSA-N 1 2 383.470 -0.056 20 0 GBADLO CCc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1S(N)(=O)=O ZINC000275233571 1072258336 /nfs/dbraw/zinc/25/83/36/1072258336.db2.gz FNCOVLQKBQNBNM-LBPRGKRZSA-N 1 2 398.485 -0.640 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000275235637 1072258488 /nfs/dbraw/zinc/25/84/88/1072258488.db2.gz FRFQRVFWTSGUCK-NSHDSACASA-N 1 2 387.433 -0.307 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275236557 1072258545 /nfs/dbraw/zinc/25/85/45/1072258545.db2.gz FKTBHLHGSUEPFH-DLBZAZTESA-N 1 2 389.456 -0.372 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275236557 1072258536 /nfs/dbraw/zinc/25/85/36/1072258536.db2.gz FKTBHLHGSUEPFH-DLBZAZTESA-N 1 2 389.456 -0.372 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275236562 1072258313 /nfs/dbraw/zinc/25/83/13/1072258313.db2.gz FKTBHLHGSUEPFH-IAGOWNOFSA-N 1 2 389.456 -0.372 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275236562 1072258308 /nfs/dbraw/zinc/25/83/08/1072258308.db2.gz FKTBHLHGSUEPFH-IAGOWNOFSA-N 1 2 389.456 -0.372 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275236568 1072258353 /nfs/dbraw/zinc/25/83/53/1072258353.db2.gz FKTBHLHGSUEPFH-IRXDYDNUSA-N 1 2 389.456 -0.372 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275236568 1072258349 /nfs/dbraw/zinc/25/83/49/1072258349.db2.gz FKTBHLHGSUEPFH-IRXDYDNUSA-N 1 2 389.456 -0.372 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275236575 1072258777 /nfs/dbraw/zinc/25/87/77/1072258777.db2.gz FKTBHLHGSUEPFH-SJORKVTESA-N 1 2 389.456 -0.372 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275236575 1072258766 /nfs/dbraw/zinc/25/87/66/1072258766.db2.gz FKTBHLHGSUEPFH-SJORKVTESA-N 1 2 389.456 -0.372 20 0 GBADLO COC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000275240917 1072258800 /nfs/dbraw/zinc/25/88/00/1072258800.db2.gz GHCLWRWWIUPSCQ-ZDUSSCGKSA-N 1 2 379.413 -0.298 20 0 GBADLO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000275243362 1072258407 /nfs/dbraw/zinc/25/84/07/1072258407.db2.gz GQBKAFQFFKIEKU-ZDUSSCGKSA-N 1 2 395.460 -0.355 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000275245627 1072258294 /nfs/dbraw/zinc/25/82/94/1072258294.db2.gz GTWHXEKGGFKNKI-ZDUSSCGKSA-N 1 2 378.429 -0.596 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000275250296 1072259476 /nfs/dbraw/zinc/25/94/76/1072259476.db2.gz HGAJXCFNWOKOBC-ZDUSSCGKSA-N 1 2 378.429 -0.596 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000275252701 1072259384 /nfs/dbraw/zinc/25/93/84/1072259384.db2.gz HKTMYPUVDZBGIV-AWEZNQCLSA-N 1 2 392.456 -0.383 20 0 GBADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275257649 1072260047 /nfs/dbraw/zinc/26/00/47/1072260047.db2.gz HYPLZKPKJJSTRO-ZDUSSCGKSA-N 1 2 392.456 -0.140 20 0 GBADLO CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000275269035 1072260151 /nfs/dbraw/zinc/26/01/51/1072260151.db2.gz JBUUNBHNTVUJSZ-ZDUSSCGKSA-N 1 2 378.429 -0.217 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000275273553 1072261009 /nfs/dbraw/zinc/26/10/09/1072261009.db2.gz JNICGTJMTMJFRN-LBPRGKRZSA-N 1 2 375.429 -0.660 20 0 GBADLO CCOc1cc2c(cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1)OCCO2 ZINC000275275475 1072260720 /nfs/dbraw/zinc/26/07/20/1072260720.db2.gz JPULQCPKKWCAQI-UHFFFAOYSA-N 1 2 379.413 -0.069 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000275278032 1072262265 /nfs/dbraw/zinc/26/22/65/1072262265.db2.gz JXLYPBNMDJQYAA-INIZCTEOSA-N 1 2 390.484 -0.018 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000275280183 1072262846 /nfs/dbraw/zinc/26/28/46/1072262846.db2.gz KCNISOHYXZHEOX-NWDGAFQWSA-N 1 2 376.413 -0.131 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000275280188 1072262664 /nfs/dbraw/zinc/26/26/64/1072262664.db2.gz KCNISOHYXZHEOX-RYUDHWBXSA-N 1 2 376.413 -0.131 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275287597 1072263653 /nfs/dbraw/zinc/26/36/53/1072263653.db2.gz MADGKRMMTMMJCN-APHBMKBZSA-N 1 2 378.429 -0.891 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275287601 1072263876 /nfs/dbraw/zinc/26/38/76/1072263876.db2.gz MADGKRMMTMMJCN-MAZHCROVSA-N 1 2 378.429 -0.891 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275287603 1072263702 /nfs/dbraw/zinc/26/37/02/1072263702.db2.gz MADGKRMMTMMJCN-RCBQFDQVSA-N 1 2 378.429 -0.891 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275287607 1072264142 /nfs/dbraw/zinc/26/41/42/1072264142.db2.gz MADGKRMMTMMJCN-VBNZEHGJSA-N 1 2 378.429 -0.891 20 0 GBADLO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000275297897 1072265736 /nfs/dbraw/zinc/26/57/36/1072265736.db2.gz MKTVALQKXYPFAX-ZDUSSCGKSA-N 1 2 379.413 -0.298 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000275310282 1072267209 /nfs/dbraw/zinc/26/72/09/1072267209.db2.gz NNXBEVBCRICOFW-ZDUSSCGKSA-N 1 2 375.429 -0.320 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1S(N)(=O)=O ZINC000275317483 1072268088 /nfs/dbraw/zinc/26/80/88/1072268088.db2.gz OEIUTBFAPZZXFG-LBPRGKRZSA-N 1 2 384.458 -0.894 20 0 GBADLO Cc1cnccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000275323848 1072268839 /nfs/dbraw/zinc/26/88/39/1072268839.db2.gz DXJCUUOYMHMYAN-UHFFFAOYSA-N 1 2 396.517 -0.291 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)CC1 ZINC000275324464 1072268714 /nfs/dbraw/zinc/26/87/14/1072268714.db2.gz OTRZASCVVNWXMO-ZDUSSCGKSA-N 1 2 398.485 -0.454 20 0 GBADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000275324600 1072268969 /nfs/dbraw/zinc/26/89/69/1072268969.db2.gz OYGFOVGXYYSNLX-AWEZNQCLSA-N 1 2 392.456 -0.335 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)CC1 ZINC000275326488 1072269664 /nfs/dbraw/zinc/26/96/64/1072269664.db2.gz PAOFGWBCBGUWHZ-LBPRGKRZSA-N 1 2 380.420 -0.009 20 0 GBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1C ZINC000275328736 1072269690 /nfs/dbraw/zinc/26/96/90/1072269690.db2.gz PIGAHYFQGLYWSM-ZDUSSCGKSA-N 1 2 398.485 -0.633 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000275330552 1072270056 /nfs/dbraw/zinc/27/00/56/1072270056.db2.gz PNFWMLMTFBZFJQ-LBPRGKRZSA-N 1 2 376.413 -0.495 20 0 GBADLO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275330792 1072269972 /nfs/dbraw/zinc/26/99/72/1072269972.db2.gz PRVKCDGIHBOCIV-ZDUSSCGKSA-N 1 2 392.456 -0.140 20 0 GBADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000275332794 1072270870 /nfs/dbraw/zinc/27/08/70/1072270870.db2.gz PWGPGINVJQXFEZ-ZDUSSCGKSA-N 1 2 387.444 -0.177 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC1 ZINC000275335326 1072270809 /nfs/dbraw/zinc/27/08/09/1072270809.db2.gz QDIHDTCWRKZQNH-HNNXBMFYSA-N 1 2 386.456 -0.016 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000275335764 1072270509 /nfs/dbraw/zinc/27/05/09/1072270509.db2.gz QJISOBYYOXWOHA-ZDUSSCGKSA-N 1 2 398.485 -0.801 20 0 GBADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000275338942 530237376 /nfs/dbraw/zinc/23/73/76/530237376.db2.gz DLFBCUICXGUKEJ-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 ZINC000275341806 1072271517 /nfs/dbraw/zinc/27/15/17/1072271517.db2.gz QYPJBFDFSKRVCZ-AWEZNQCLSA-N 1 2 376.457 -0.219 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000275343525 530237348 /nfs/dbraw/zinc/23/73/48/530237348.db2.gz FGRFFOOGZDUAGR-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000275343551 530237174 /nfs/dbraw/zinc/23/71/74/530237174.db2.gz FHBUONNVPFMWEV-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC1 ZINC000275343708 1072271665 /nfs/dbraw/zinc/27/16/65/1072271665.db2.gz RGFWRWSQSZPOES-AWEZNQCLSA-N 1 2 397.497 -0.263 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000275345521 1072272533 /nfs/dbraw/zinc/27/25/33/1072272533.db2.gz RMCFMFHGMRKXMD-LBPRGKRZSA-N 1 2 381.454 -0.520 20 0 GBADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000275355790 1072273679 /nfs/dbraw/zinc/27/36/79/1072273679.db2.gz SRNVVKWBGZOEFC-AWEZNQCLSA-N 1 2 392.456 -0.335 20 0 GBADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275362056 1072275493 /nfs/dbraw/zinc/27/54/93/1072275493.db2.gz UICXUMHXVMAILX-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275371117 1072276614 /nfs/dbraw/zinc/27/66/14/1072276614.db2.gz VOADKFDTPQWFTN-AWEZNQCLSA-N 1 2 391.472 -0.310 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000275371148 1072276526 /nfs/dbraw/zinc/27/65/26/1072276526.db2.gz VPNUSLRFXXPUDY-ZDUSSCGKSA-N 1 2 398.485 -0.600 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000275372722 1072277120 /nfs/dbraw/zinc/27/71/20/1072277120.db2.gz VQYBONKBNYTJEU-AWEZNQCLSA-N 1 2 377.445 -0.618 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1-n1cnnn1 ZINC000275379911 1072278212 /nfs/dbraw/zinc/27/82/12/1072278212.db2.gz WRRIFMCADLAGQF-LBPRGKRZSA-N 1 2 389.416 -0.866 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000275381957 1072278487 /nfs/dbraw/zinc/27/84/87/1072278487.db2.gz WXCLVFIHNIUOJE-AWEZNQCLSA-N 1 2 392.456 -0.383 20 0 GBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000275388925 1072279188 /nfs/dbraw/zinc/27/91/88/1072279188.db2.gz XLVDQVYPISVETI-LBPRGKRZSA-N 1 2 398.485 -0.586 20 0 GBADLO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000275400407 1072279916 /nfs/dbraw/zinc/27/99/16/1072279916.db2.gz YAPZAFSPAIVGFN-LBPRGKRZSA-N 1 2 378.429 -0.482 20 0 GBADLO CN(C)C(=O)CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000275406620 1072280119 /nfs/dbraw/zinc/28/01/19/1072280119.db2.gz AGLHOJXYHBCAQK-UHFFFAOYSA-N 1 2 392.456 -0.782 20 0 GBADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000275410073 530237315 /nfs/dbraw/zinc/23/73/15/530237315.db2.gz PCRLIHMOUHLNSR-AWEZNQCLSA-N 1 2 391.515 -0.707 20 0 GBADLO COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)ccc21 ZINC000275414845 1072281393 /nfs/dbraw/zinc/28/13/93/1072281393.db2.gz ZCZJTGPYYJFFGT-UHFFFAOYSA-N 1 2 390.440 -0.703 20 0 GBADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000275424187 530237630 /nfs/dbraw/zinc/23/76/30/530237630.db2.gz QOCAGPCTRJNVFB-NSHDSACASA-N 1 2 391.877 -0.109 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000275424558 1072282118 /nfs/dbraw/zinc/28/21/18/1072282118.db2.gz ZZPJDYBOINDAHS-LBPRGKRZSA-N 1 2 398.485 -0.633 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000275431383 530237612 /nfs/dbraw/zinc/23/76/12/530237612.db2.gz FGMXWMDAMCVOTJ-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000275431383 530237609 /nfs/dbraw/zinc/23/76/09/530237609.db2.gz FGMXWMDAMCVOTJ-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO CN(C)C(=O)CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000275432519 1072283237 /nfs/dbraw/zinc/28/32/37/1072283237.db2.gz OURNSDPEVCSHOE-UHFFFAOYSA-N 1 2 395.891 -0.217 20 0 GBADLO CN(C)C(=O)CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000275447679 1072283392 /nfs/dbraw/zinc/28/33/92/1072283392.db2.gz HWODUINXKICZOM-UHFFFAOYSA-N 1 2 392.456 -0.782 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccco3)CC2)CC1 ZINC000275447721 530237749 /nfs/dbraw/zinc/23/77/49/530237749.db2.gz HXTMENCCSCHXTC-UHFFFAOYSA-N 1 2 378.476 -0.922 20 0 GBADLO Cn1cc(-c2n[nH]cc2C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000275448452 1072283110 /nfs/dbraw/zinc/28/31/10/1072283110.db2.gz GKGIIISIZPIEQX-AWEZNQCLSA-N 1 2 387.444 -0.527 20 0 GBADLO Cn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000275448457 1072282892 /nfs/dbraw/zinc/28/28/92/1072282892.db2.gz GKGIIISIZPIEQX-CQSZACIVSA-N 1 2 387.444 -0.527 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000275459671 530237764 /nfs/dbraw/zinc/23/77/64/530237764.db2.gz JYXRKZYXLRQXGP-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000275459671 530237763 /nfs/dbraw/zinc/23/77/63/530237763.db2.gz JYXRKZYXLRQXGP-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000275463883 530237800 /nfs/dbraw/zinc/23/78/00/530237800.db2.gz QAIKYUBJTYDQPK-GFCCVEGCSA-N 1 2 375.516 -0.022 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000275465813 530237794 /nfs/dbraw/zinc/23/77/94/530237794.db2.gz KRRDZPNVRCLJTO-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000275465813 530237793 /nfs/dbraw/zinc/23/77/93/530237793.db2.gz KRRDZPNVRCLJTO-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000275470252 530237790 /nfs/dbraw/zinc/23/77/90/530237790.db2.gz LRYOFBDTSPQSHH-UHFFFAOYSA-N 1 2 377.488 -0.405 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000275470252 530237789 /nfs/dbraw/zinc/23/77/89/530237789.db2.gz LRYOFBDTSPQSHH-UHFFFAOYSA-N 1 2 377.488 -0.405 20 0 GBADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000275472709 530237862 /nfs/dbraw/zinc/23/78/62/530237862.db2.gz WDMZFQWUIIZGKX-NSHDSACASA-N 1 2 395.478 -0.116 20 0 GBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC[N@H+]3CCCOCC3)cnc21 ZINC000275475841 1072285950 /nfs/dbraw/zinc/28/59/50/1072285950.db2.gz MQASOJNNNZBFSP-UHFFFAOYSA-N 1 2 383.430 -0.965 20 0 GBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC[N@@H+]3CCCOCC3)cnc21 ZINC000275475841 1072285939 /nfs/dbraw/zinc/28/59/39/1072285939.db2.gz MQASOJNNNZBFSP-UHFFFAOYSA-N 1 2 383.430 -0.965 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CCO1 ZINC000275505035 1072288082 /nfs/dbraw/zinc/28/80/82/1072288082.db2.gz AKWLKAKCVGKCKW-KBPBESRZSA-N 1 2 394.497 -0.003 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CCO1 ZINC000275505035 1072288075 /nfs/dbraw/zinc/28/80/75/1072288075.db2.gz AKWLKAKCVGKCKW-KBPBESRZSA-N 1 2 394.497 -0.003 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CCO1 ZINC000275505037 1072287600 /nfs/dbraw/zinc/28/76/00/1072287600.db2.gz AKWLKAKCVGKCKW-KGLIPLIRSA-N 1 2 394.497 -0.003 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CCO1 ZINC000275505037 1072287590 /nfs/dbraw/zinc/28/75/90/1072287590.db2.gz AKWLKAKCVGKCKW-KGLIPLIRSA-N 1 2 394.497 -0.003 20 0 GBADLO Cc1cc(N2CCN(C(=O)C(=O)NCC(=O)N(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000275506376 1072287941 /nfs/dbraw/zinc/28/79/41/1072287941.db2.gz TYUMAYXUOONASN-UHFFFAOYSA-N 1 2 376.461 -0.239 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000275509564 530237841 /nfs/dbraw/zinc/23/78/41/530237841.db2.gz SJOPWNWDLZJIOQ-UHFFFAOYSA-N 1 2 377.488 -0.405 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000275509564 530237839 /nfs/dbraw/zinc/23/78/39/530237839.db2.gz SJOPWNWDLZJIOQ-UHFFFAOYSA-N 1 2 377.488 -0.405 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)Cn3ccc(=O)n(C)c3=O)c2)CC1 ZINC000275516957 1072288746 /nfs/dbraw/zinc/28/87/46/1072288746.db2.gz ISWZSKDEXWBWAC-UHFFFAOYSA-N 1 2 399.451 -0.150 20 0 GBADLO COC(=O)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000275542236 1072290631 /nfs/dbraw/zinc/29/06/31/1072290631.db2.gz BCONXIVTDUBTCI-UHFFFAOYSA-N 1 2 390.440 -0.032 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000275554236 1072292361 /nfs/dbraw/zinc/29/23/61/1072292361.db2.gz CHUMNDLNAHSVIH-LLVKDONJSA-N 1 2 377.380 -0.735 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000275567872 1072296648 /nfs/dbraw/zinc/29/66/48/1072296648.db2.gz DLSXYLFVDHVVBR-CYBMUJFWSA-N 1 2 378.429 -0.725 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000275573379 1072298289 /nfs/dbraw/zinc/29/82/89/1072298289.db2.gz FAUVFANXCWGOMY-CYBMUJFWSA-N 1 2 388.428 -0.966 20 0 GBADLO CCc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1S(N)(=O)=O ZINC000275579430 1072299234 /nfs/dbraw/zinc/29/92/34/1072299234.db2.gz FNCOVLQKBQNBNM-GFCCVEGCSA-N 1 2 398.485 -0.640 20 0 GBADLO COC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000275587135 1072308862 /nfs/dbraw/zinc/30/88/62/1072308862.db2.gz GHCLWRWWIUPSCQ-CYBMUJFWSA-N 1 2 379.413 -0.298 20 0 GBADLO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000275589770 1072312983 /nfs/dbraw/zinc/31/29/83/1072312983.db2.gz GQBKAFQFFKIEKU-CYBMUJFWSA-N 1 2 395.460 -0.355 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000275590647 530237835 /nfs/dbraw/zinc/23/78/35/530237835.db2.gz DLFBCUICXGUKEJ-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000275592244 1072315328 /nfs/dbraw/zinc/31/53/28/1072315328.db2.gz GTWHXEKGGFKNKI-CYBMUJFWSA-N 1 2 378.429 -0.596 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000275595975 530237826 /nfs/dbraw/zinc/23/78/26/530237826.db2.gz FGRFFOOGZDUAGR-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000275596010 530237718 /nfs/dbraw/zinc/23/77/18/530237718.db2.gz FHBUONNVPFMWEV-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000275597369 1072316683 /nfs/dbraw/zinc/31/66/83/1072316683.db2.gz HGAJXCFNWOKOBC-CYBMUJFWSA-N 1 2 378.429 -0.596 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000275599771 1072317649 /nfs/dbraw/zinc/31/76/49/1072317649.db2.gz HKTMYPUVDZBGIV-CQSZACIVSA-N 1 2 392.456 -0.383 20 0 GBADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275604458 1072321468 /nfs/dbraw/zinc/32/14/68/1072321468.db2.gz HYPLZKPKJJSTRO-CYBMUJFWSA-N 1 2 392.456 -0.140 20 0 GBADLO CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000275614296 1072326360 /nfs/dbraw/zinc/32/63/60/1072326360.db2.gz JBUUNBHNTVUJSZ-CYBMUJFWSA-N 1 2 378.429 -0.217 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000275619157 1072327628 /nfs/dbraw/zinc/32/76/28/1072327628.db2.gz JNICGTJMTMJFRN-GFCCVEGCSA-N 1 2 375.429 -0.660 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000275624915 1072328283 /nfs/dbraw/zinc/32/82/83/1072328283.db2.gz KCNISOHYXZHEOX-NEPJUHHUSA-N 1 2 376.413 -0.131 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000275624924 1072328468 /nfs/dbraw/zinc/32/84/68/1072328468.db2.gz KCNISOHYXZHEOX-VXGBXAGGSA-N 1 2 376.413 -0.131 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c(OC)c1 ZINC000275638326 1072331680 /nfs/dbraw/zinc/33/16/80/1072331680.db2.gz LJZVJQHAONUIQK-GFCCVEGCSA-N 1 2 379.413 -0.055 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c(OC)c1 ZINC000275638328 1072331786 /nfs/dbraw/zinc/33/17/86/1072331786.db2.gz LJZVJQHAONUIQK-LBPRGKRZSA-N 1 2 379.413 -0.055 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000275645556 530238173 /nfs/dbraw/zinc/23/81/73/530238173.db2.gz LBHLBXJROXYYTF-UHFFFAOYSA-N 1 2 391.515 -0.016 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000275645556 530238172 /nfs/dbraw/zinc/23/81/72/530238172.db2.gz LBHLBXJROXYYTF-UHFFFAOYSA-N 1 2 391.515 -0.016 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)CC1 ZINC000275660183 1072340349 /nfs/dbraw/zinc/34/03/49/1072340349.db2.gz NLPSCXMPQVYBRJ-GFCCVEGCSA-N 1 2 380.420 -0.009 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000275660302 1072340049 /nfs/dbraw/zinc/34/00/49/1072340049.db2.gz NNXBEVBCRICOFW-CYBMUJFWSA-N 1 2 375.429 -0.320 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1S(N)(=O)=O ZINC000275665859 1072346843 /nfs/dbraw/zinc/34/68/43/1072346843.db2.gz OEIUTBFAPZZXFG-GFCCVEGCSA-N 1 2 384.458 -0.894 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)CC1 ZINC000275673283 1072350219 /nfs/dbraw/zinc/35/02/19/1072350219.db2.gz OTRZASCVVNWXMO-CYBMUJFWSA-N 1 2 398.485 -0.454 20 0 GBADLO Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000275674519 1072350458 /nfs/dbraw/zinc/35/04/58/1072350458.db2.gz CUNZKLAUUDZNCW-SOLBZPMBSA-N 1 2 391.472 -0.453 20 0 GBADLO Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000275674527 1072350023 /nfs/dbraw/zinc/35/00/23/1072350023.db2.gz CUNZKLAUUDZNCW-XYJFISCASA-N 1 2 391.472 -0.453 20 0 GBADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCC[N@@H+](C)CCOC)cn1 ZINC000275674658 1072349980 /nfs/dbraw/zinc/34/99/80/1072349980.db2.gz RDBZSLHPZFXVNU-HNNXBMFYSA-N 1 2 387.506 -0.038 20 0 GBADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCC[N@H+](C)CCOC)cn1 ZINC000275674658 1072349972 /nfs/dbraw/zinc/34/99/72/1072349972.db2.gz RDBZSLHPZFXVNU-HNNXBMFYSA-N 1 2 387.506 -0.038 20 0 GBADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCC[N@@H+](C)CCOC)cn1 ZINC000275674666 1072350518 /nfs/dbraw/zinc/35/05/18/1072350518.db2.gz RDBZSLHPZFXVNU-OAHLLOKOSA-N 1 2 387.506 -0.038 20 0 GBADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCC[N@H+](C)CCOC)cn1 ZINC000275674666 1072350511 /nfs/dbraw/zinc/35/05/11/1072350511.db2.gz RDBZSLHPZFXVNU-OAHLLOKOSA-N 1 2 387.506 -0.038 20 0 GBADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000275675931 1072350091 /nfs/dbraw/zinc/35/00/91/1072350091.db2.gz OYGFOVGXYYSNLX-CQSZACIVSA-N 1 2 392.456 -0.335 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)CC1 ZINC000275678533 1072351776 /nfs/dbraw/zinc/35/17/76/1072351776.db2.gz PAOFGWBCBGUWHZ-GFCCVEGCSA-N 1 2 380.420 -0.009 20 0 GBADLO COCCO[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000275679644 1072354547 /nfs/dbraw/zinc/35/45/47/1072354547.db2.gz ZWKXQYYTGDLQRY-CYBMUJFWSA-N 1 2 382.461 -0.295 20 0 GBADLO COCCO[C@@H]1CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000275679644 1072354538 /nfs/dbraw/zinc/35/45/38/1072354538.db2.gz ZWKXQYYTGDLQRY-CYBMUJFWSA-N 1 2 382.461 -0.295 20 0 GBADLO COCCO[C@H]1CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000275679648 1072354584 /nfs/dbraw/zinc/35/45/84/1072354584.db2.gz ZWKXQYYTGDLQRY-ZDUSSCGKSA-N 1 2 382.461 -0.295 20 0 GBADLO COCCO[C@H]1CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000275679648 1072354570 /nfs/dbraw/zinc/35/45/70/1072354570.db2.gz ZWKXQYYTGDLQRY-ZDUSSCGKSA-N 1 2 382.461 -0.295 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000275679670 530238303 /nfs/dbraw/zinc/23/83/03/530238303.db2.gz PCRLIHMOUHLNSR-CQSZACIVSA-N 1 2 391.515 -0.707 20 0 GBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1C ZINC000275681166 1072355525 /nfs/dbraw/zinc/35/55/25/1072355525.db2.gz PIGAHYFQGLYWSM-CYBMUJFWSA-N 1 2 398.485 -0.633 20 0 GBADLO Cc1cc(O)cc(=O)n1CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000275683341 1072357910 /nfs/dbraw/zinc/35/79/10/1072357910.db2.gz HIPMKGQSFVBREG-HNNXBMFYSA-N 1 2 392.456 -0.698 20 0 GBADLO Cc1cc(O)cc(=O)n1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000275683342 1072357672 /nfs/dbraw/zinc/35/76/72/1072357672.db2.gz HIPMKGQSFVBREG-OAHLLOKOSA-N 1 2 392.456 -0.698 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000275683388 1072357757 /nfs/dbraw/zinc/35/77/57/1072357757.db2.gz PNFWMLMTFBZFJQ-GFCCVEGCSA-N 1 2 376.413 -0.495 20 0 GBADLO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275683523 1072358127 /nfs/dbraw/zinc/35/81/27/1072358127.db2.gz PRVKCDGIHBOCIV-CYBMUJFWSA-N 1 2 392.456 -0.140 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC1 ZINC000275688822 1072359180 /nfs/dbraw/zinc/35/91/80/1072359180.db2.gz QDIHDTCWRKZQNH-OAHLLOKOSA-N 1 2 386.456 -0.016 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000275689778 530238256 /nfs/dbraw/zinc/23/82/56/530238256.db2.gz QOCAGPCTRJNVFB-LLVKDONJSA-N 1 2 391.877 -0.109 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000275691781 1072363690 /nfs/dbraw/zinc/36/36/90/1072363690.db2.gz QJISOBYYOXWOHA-CYBMUJFWSA-N 1 2 398.485 -0.801 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 ZINC000275696955 1072365140 /nfs/dbraw/zinc/36/51/40/1072365140.db2.gz QYPJBFDFSKRVCZ-CQSZACIVSA-N 1 2 376.457 -0.219 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC1 ZINC000275699263 1072366224 /nfs/dbraw/zinc/36/62/24/1072366224.db2.gz RGFWRWSQSZPOES-CQSZACIVSA-N 1 2 397.497 -0.263 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000275701658 1072366790 /nfs/dbraw/zinc/36/67/90/1072366790.db2.gz RMCFMFHGMRKXMD-GFCCVEGCSA-N 1 2 381.454 -0.520 20 0 GBADLO CN(C)C(=O)CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000275706249 1072367219 /nfs/dbraw/zinc/36/72/19/1072367219.db2.gz RDRSMGFFNRYKHT-UHFFFAOYSA-N 1 2 379.436 -0.732 20 0 GBADLO C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[N@H+]1CC(C)(C)O ZINC000275709198 1072368120 /nfs/dbraw/zinc/36/81/20/1072368120.db2.gz VYDNXCMKIUPFLF-CYBMUJFWSA-N 1 2 382.486 -0.212 20 0 GBADLO C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[N@@H+]1CC(C)(C)O ZINC000275709198 1072368117 /nfs/dbraw/zinc/36/81/17/1072368117.db2.gz VYDNXCMKIUPFLF-CYBMUJFWSA-N 1 2 382.486 -0.212 20 0 GBADLO C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[N@H+]1CC(C)(C)O ZINC000275709204 1072368085 /nfs/dbraw/zinc/36/80/85/1072368085.db2.gz VYDNXCMKIUPFLF-ZDUSSCGKSA-N 1 2 382.486 -0.212 20 0 GBADLO C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[N@@H+]1CC(C)(C)O ZINC000275709204 1072368081 /nfs/dbraw/zinc/36/80/81/1072368081.db2.gz VYDNXCMKIUPFLF-ZDUSSCGKSA-N 1 2 382.486 -0.212 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000275711189 530238131 /nfs/dbraw/zinc/23/81/31/530238131.db2.gz UNLPHSLDRVCTDE-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275715981 1072607498 /nfs/dbraw/zinc/60/74/98/1072607498.db2.gz SWNHUKURNQIDDE-GFCCVEGCSA-N 1 2 379.413 -0.055 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1[C@H]1CCOC1 ZINC000275716586 1072380047 /nfs/dbraw/zinc/38/00/47/1072380047.db2.gz HBENFTZRFZPCIX-KBPBESRZSA-N 1 2 377.445 -0.424 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000275716590 1072379588 /nfs/dbraw/zinc/37/95/88/1072379588.db2.gz HBENFTZRFZPCIX-KGLIPLIRSA-N 1 2 377.445 -0.424 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1[C@H]1CCOC1 ZINC000275716594 1072379771 /nfs/dbraw/zinc/37/97/71/1072379771.db2.gz HBENFTZRFZPCIX-UONOGXRCSA-N 1 2 377.445 -0.424 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000275716599 1072380214 /nfs/dbraw/zinc/38/02/14/1072380214.db2.gz HBENFTZRFZPCIX-ZIAGYGMSSA-N 1 2 377.445 -0.424 20 0 GBADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275721320 1072390023 /nfs/dbraw/zinc/39/00/23/1072390023.db2.gz UICXUMHXVMAILX-CYBMUJFWSA-N 1 2 383.470 -0.138 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000275722248 530238286 /nfs/dbraw/zinc/23/82/86/530238286.db2.gz WDMZFQWUIIZGKX-LLVKDONJSA-N 1 2 395.478 -0.116 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000275728034 530238110 /nfs/dbraw/zinc/23/81/10/530238110.db2.gz XEFAEABXHRRLPF-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275732056 1072393895 /nfs/dbraw/zinc/39/38/95/1072393895.db2.gz VOADKFDTPQWFTN-CQSZACIVSA-N 1 2 391.472 -0.310 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000275733840 1072394691 /nfs/dbraw/zinc/39/46/91/1072394691.db2.gz VPNUSLRFXXPUDY-CYBMUJFWSA-N 1 2 398.485 -0.600 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1-n1cnnn1 ZINC000275741008 1072396911 /nfs/dbraw/zinc/39/69/11/1072396911.db2.gz WRRIFMCADLAGQF-GFCCVEGCSA-N 1 2 389.416 -0.866 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000275742992 1072397322 /nfs/dbraw/zinc/39/73/22/1072397322.db2.gz WXCLVFIHNIUOJE-CQSZACIVSA-N 1 2 392.456 -0.383 20 0 GBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000275749742 1072405239 /nfs/dbraw/zinc/40/52/39/1072405239.db2.gz XLVDQVYPISVETI-GFCCVEGCSA-N 1 2 398.485 -0.586 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1NS(C)(=O)=O ZINC000275749949 1072404417 /nfs/dbraw/zinc/40/44/17/1072404417.db2.gz XOHRYHQRDZLDCE-CYBMUJFWSA-N 1 2 398.485 -0.170 20 0 GBADLO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000275754346 1072412030 /nfs/dbraw/zinc/41/20/30/1072412030.db2.gz YAPZAFSPAIVGFN-GFCCVEGCSA-N 1 2 378.429 -0.482 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000275770698 530238652 /nfs/dbraw/zinc/23/86/52/530238652.db2.gz LUGMPOQIYZXGBZ-UHFFFAOYSA-N 1 2 391.515 -0.374 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000275772305 1072417674 /nfs/dbraw/zinc/41/76/74/1072417674.db2.gz ZZPJDYBOINDAHS-GFCCVEGCSA-N 1 2 398.485 -0.633 20 0 GBADLO CNC(=O)CCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000275783476 1072418385 /nfs/dbraw/zinc/41/83/85/1072418385.db2.gz NJYQUOOOCZRNLZ-UHFFFAOYSA-N 1 2 376.461 -0.122 20 0 GBADLO CNC(=O)CCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000275783476 1072418378 /nfs/dbraw/zinc/41/83/78/1072418378.db2.gz NJYQUOOOCZRNLZ-UHFFFAOYSA-N 1 2 376.461 -0.122 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C[C@H](O)CO)cc2)CC1 ZINC000275807491 1072436206 /nfs/dbraw/zinc/43/62/06/1072436206.db2.gz AFYQNGLTVYMYPT-KRWDZBQOSA-N 1 2 378.473 -0.426 20 0 GBADLO COCCN(CCO)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000275809852 1072438727 /nfs/dbraw/zinc/43/87/27/1072438727.db2.gz NZWLYBLDFYIYEQ-UHFFFAOYSA-N 1 2 378.473 -0.160 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@H](C)C1 ZINC000275819039 1072443259 /nfs/dbraw/zinc/44/32/59/1072443259.db2.gz AOOMOSIZGDKBNS-GHMZBOCLSA-N 1 2 397.457 -0.890 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@H](C)C1 ZINC000275819039 1072443253 /nfs/dbraw/zinc/44/32/53/1072443253.db2.gz AOOMOSIZGDKBNS-GHMZBOCLSA-N 1 2 397.457 -0.890 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@H](C)C1 ZINC000275819043 1072443356 /nfs/dbraw/zinc/44/33/56/1072443356.db2.gz AOOMOSIZGDKBNS-MNOVXSKESA-N 1 2 397.457 -0.890 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@H](C)C1 ZINC000275819043 1072443353 /nfs/dbraw/zinc/44/33/53/1072443353.db2.gz AOOMOSIZGDKBNS-MNOVXSKESA-N 1 2 397.457 -0.890 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@@H](C)C1 ZINC000275819047 1072443278 /nfs/dbraw/zinc/44/32/78/1072443278.db2.gz AOOMOSIZGDKBNS-QWRGUYRKSA-N 1 2 397.457 -0.890 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@@H](C)C1 ZINC000275819047 1072443273 /nfs/dbraw/zinc/44/32/73/1072443273.db2.gz AOOMOSIZGDKBNS-QWRGUYRKSA-N 1 2 397.457 -0.890 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@@H](C)C1 ZINC000275819053 1072443364 /nfs/dbraw/zinc/44/33/64/1072443364.db2.gz AOOMOSIZGDKBNS-WDEREUQCSA-N 1 2 397.457 -0.890 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)[C@@H](C)C1 ZINC000275819053 1072443361 /nfs/dbraw/zinc/44/33/61/1072443361.db2.gz AOOMOSIZGDKBNS-WDEREUQCSA-N 1 2 397.457 -0.890 20 0 GBADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000275832693 530238683 /nfs/dbraw/zinc/23/86/83/530238683.db2.gz UNLPHSLDRVCTDE-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000275833184 1072445795 /nfs/dbraw/zinc/44/57/95/1072445795.db2.gz MJLWWFIZIMXDGK-CVEARBPZSA-N 1 2 397.497 -0.323 20 0 GBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000275833189 1072445899 /nfs/dbraw/zinc/44/58/99/1072445899.db2.gz MJLWWFIZIMXDGK-HOTGVXAUSA-N 1 2 397.497 -0.323 20 0 GBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000275833194 1072445944 /nfs/dbraw/zinc/44/59/44/1072445944.db2.gz MJLWWFIZIMXDGK-HZPDHXFCSA-N 1 2 397.497 -0.323 20 0 GBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000275833200 1072445953 /nfs/dbraw/zinc/44/59/53/1072445953.db2.gz MJLWWFIZIMXDGK-JKSUJKDBSA-N 1 2 397.497 -0.323 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1 ZINC000275838206 530238543 /nfs/dbraw/zinc/23/85/43/530238543.db2.gz DMNYULLGJKYPDI-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1 ZINC000275838206 530238541 /nfs/dbraw/zinc/23/85/41/530238541.db2.gz DMNYULLGJKYPDI-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000275838208 530238630 /nfs/dbraw/zinc/23/86/30/530238630.db2.gz DMNYULLGJKYPDI-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000275838208 530238629 /nfs/dbraw/zinc/23/86/29/530238629.db2.gz DMNYULLGJKYPDI-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000275838210 530238500 /nfs/dbraw/zinc/23/85/00/530238500.db2.gz DMNYULLGJKYPDI-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000275838210 530238498 /nfs/dbraw/zinc/23/84/98/530238498.db2.gz DMNYULLGJKYPDI-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1 ZINC000275838212 530238627 /nfs/dbraw/zinc/23/86/27/530238627.db2.gz DMNYULLGJKYPDI-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1 ZINC000275838212 530238626 /nfs/dbraw/zinc/23/86/26/530238626.db2.gz DMNYULLGJKYPDI-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000275841026 1072446813 /nfs/dbraw/zinc/44/68/13/1072446813.db2.gz XQOWKSKIPUWSNB-GDBMZVCRSA-N 1 2 376.457 -0.242 20 0 GBADLO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000275841026 1072446809 /nfs/dbraw/zinc/44/68/09/1072446809.db2.gz XQOWKSKIPUWSNB-GDBMZVCRSA-N 1 2 376.457 -0.242 20 0 GBADLO Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000275841028 1072446743 /nfs/dbraw/zinc/44/67/43/1072446743.db2.gz XQOWKSKIPUWSNB-GOEBONIOSA-N 1 2 376.457 -0.242 20 0 GBADLO Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000275841028 1072446738 /nfs/dbraw/zinc/44/67/38/1072446738.db2.gz XQOWKSKIPUWSNB-GOEBONIOSA-N 1 2 376.457 -0.242 20 0 GBADLO Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000275841030 1072446531 /nfs/dbraw/zinc/44/65/31/1072446531.db2.gz XQOWKSKIPUWSNB-HOCLYGCPSA-N 1 2 376.457 -0.242 20 0 GBADLO Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000275841030 1072446523 /nfs/dbraw/zinc/44/65/23/1072446523.db2.gz XQOWKSKIPUWSNB-HOCLYGCPSA-N 1 2 376.457 -0.242 20 0 GBADLO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000275841032 1072446799 /nfs/dbraw/zinc/44/67/99/1072446799.db2.gz XQOWKSKIPUWSNB-ZBFHGGJFSA-N 1 2 376.457 -0.242 20 0 GBADLO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000275841032 1072446795 /nfs/dbraw/zinc/44/67/95/1072446795.db2.gz XQOWKSKIPUWSNB-ZBFHGGJFSA-N 1 2 376.457 -0.242 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000275854741 1072450142 /nfs/dbraw/zinc/45/01/42/1072450142.db2.gz IIXHJDKHBROAQM-UHFFFAOYSA-N 1 2 397.501 -0.062 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CCO1 ZINC000275859011 1072450031 /nfs/dbraw/zinc/45/00/31/1072450031.db2.gz YZZOMFSXBHFKCD-CABCVRRESA-N 1 2 376.461 -0.512 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CCO1 ZINC000275859011 1072450029 /nfs/dbraw/zinc/45/00/29/1072450029.db2.gz YZZOMFSXBHFKCD-CABCVRRESA-N 1 2 376.461 -0.512 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CCO1 ZINC000275859013 1072450027 /nfs/dbraw/zinc/45/00/27/1072450027.db2.gz YZZOMFSXBHFKCD-GJZGRUSLSA-N 1 2 376.461 -0.512 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CCO1 ZINC000275859013 1072450025 /nfs/dbraw/zinc/45/00/25/1072450025.db2.gz YZZOMFSXBHFKCD-GJZGRUSLSA-N 1 2 376.461 -0.512 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CCO1 ZINC000275859017 1072450000 /nfs/dbraw/zinc/45/00/00/1072450000.db2.gz YZZOMFSXBHFKCD-HUUCEWRRSA-N 1 2 376.461 -0.512 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CCO1 ZINC000275859017 1072449998 /nfs/dbraw/zinc/44/99/98/1072449998.db2.gz YZZOMFSXBHFKCD-HUUCEWRRSA-N 1 2 376.461 -0.512 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CCO1 ZINC000275859021 1072450018 /nfs/dbraw/zinc/45/00/18/1072450018.db2.gz YZZOMFSXBHFKCD-LSDHHAIUSA-N 1 2 376.461 -0.512 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CCO1 ZINC000275859021 1072450017 /nfs/dbraw/zinc/45/00/17/1072450017.db2.gz YZZOMFSXBHFKCD-LSDHHAIUSA-N 1 2 376.461 -0.512 20 0 GBADLO CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C(N)=O ZINC000275864162 1072451150 /nfs/dbraw/zinc/45/11/50/1072451150.db2.gz GGDYTAXLHZCEHD-MRXNPFEDSA-N 1 2 375.473 -0.001 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)[C@H](C)C1 ZINC000275864387 1072451051 /nfs/dbraw/zinc/45/10/51/1072451051.db2.gz DDPZTWXMKVIZKZ-CYBMUJFWSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)[C@H](C)C1 ZINC000275864387 1072451044 /nfs/dbraw/zinc/45/10/44/1072451044.db2.gz DDPZTWXMKVIZKZ-CYBMUJFWSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)[C@@H](C)C1 ZINC000275864390 1072450828 /nfs/dbraw/zinc/45/08/28/1072450828.db2.gz DDPZTWXMKVIZKZ-ZDUSSCGKSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)[C@@H](C)C1 ZINC000275864390 1072450821 /nfs/dbraw/zinc/45/08/21/1072450821.db2.gz DDPZTWXMKVIZKZ-ZDUSSCGKSA-N 1 2 378.429 -0.272 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000275870095 530238938 /nfs/dbraw/zinc/23/89/38/530238938.db2.gz ZTPMFFDYSCUJCL-CYBMUJFWSA-N 1 2 390.531 -0.539 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000275870095 530238936 /nfs/dbraw/zinc/23/89/36/530238936.db2.gz ZTPMFFDYSCUJCL-CYBMUJFWSA-N 1 2 390.531 -0.539 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000275870099 530239114 /nfs/dbraw/zinc/23/91/14/530239114.db2.gz ZTPMFFDYSCUJCL-ZDUSSCGKSA-N 1 2 390.531 -0.539 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000275870099 530239112 /nfs/dbraw/zinc/23/91/12/530239112.db2.gz ZTPMFFDYSCUJCL-ZDUSSCGKSA-N 1 2 390.531 -0.539 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)[C@H](C)C1 ZINC000275879797 1072458941 /nfs/dbraw/zinc/45/89/41/1072458941.db2.gz FXQLOMWNLHKYLG-CYBMUJFWSA-N 1 2 390.440 -0.251 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)[C@H](C)C1 ZINC000275879797 1072458938 /nfs/dbraw/zinc/45/89/38/1072458938.db2.gz FXQLOMWNLHKYLG-CYBMUJFWSA-N 1 2 390.440 -0.251 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)[C@@H](C)C1 ZINC000275879800 1072458877 /nfs/dbraw/zinc/45/88/77/1072458877.db2.gz FXQLOMWNLHKYLG-ZDUSSCGKSA-N 1 2 390.440 -0.251 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)[C@@H](C)C1 ZINC000275879800 1072458874 /nfs/dbraw/zinc/45/88/74/1072458874.db2.gz FXQLOMWNLHKYLG-ZDUSSCGKSA-N 1 2 390.440 -0.251 20 0 GBADLO CNC(=O)CCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000275884388 1072461620 /nfs/dbraw/zinc/46/16/20/1072461620.db2.gz RAUHKOJGGZMYPD-UHFFFAOYSA-N 1 2 375.473 -0.033 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cncnc2N(C)C)[C@H](C)C1 ZINC000275887206 1072462815 /nfs/dbraw/zinc/46/28/15/1072462815.db2.gz GXOXCKBBNHCTAW-GFCCVEGCSA-N 1 2 378.433 -0.423 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cncnc2N(C)C)[C@H](C)C1 ZINC000275887206 1072462809 /nfs/dbraw/zinc/46/28/09/1072462809.db2.gz GXOXCKBBNHCTAW-GFCCVEGCSA-N 1 2 378.433 -0.423 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cncnc2N(C)C)[C@@H](C)C1 ZINC000275887209 1072462529 /nfs/dbraw/zinc/46/25/29/1072462529.db2.gz GXOXCKBBNHCTAW-LBPRGKRZSA-N 1 2 378.433 -0.423 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cncnc2N(C)C)[C@@H](C)C1 ZINC000275887209 1072462522 /nfs/dbraw/zinc/46/25/22/1072462522.db2.gz GXOXCKBBNHCTAW-LBPRGKRZSA-N 1 2 378.433 -0.423 20 0 GBADLO CCn1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)ccc1=O ZINC000275888941 1072463288 /nfs/dbraw/zinc/46/32/88/1072463288.db2.gz HEXABFUIXWHNTG-CYBMUJFWSA-N 1 2 378.429 -0.098 20 0 GBADLO CCn1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)ccc1=O ZINC000275888941 1072463282 /nfs/dbraw/zinc/46/32/82/1072463282.db2.gz HEXABFUIXWHNTG-CYBMUJFWSA-N 1 2 378.429 -0.098 20 0 GBADLO CCn1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)ccc1=O ZINC000275888942 1072463584 /nfs/dbraw/zinc/46/35/84/1072463584.db2.gz HEXABFUIXWHNTG-ZDUSSCGKSA-N 1 2 378.429 -0.098 20 0 GBADLO CCn1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)ccc1=O ZINC000275888942 1072463578 /nfs/dbraw/zinc/46/35/78/1072463578.db2.gz HEXABFUIXWHNTG-ZDUSSCGKSA-N 1 2 378.429 -0.098 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000275895198 530239184 /nfs/dbraw/zinc/23/91/84/530239184.db2.gz MMKLESZSKYCNEQ-GFCCVEGCSA-N 1 2 376.504 -0.030 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000275895199 530239057 /nfs/dbraw/zinc/23/90/57/530239057.db2.gz MMKLESZSKYCNEQ-LBPRGKRZSA-N 1 2 376.504 -0.030 20 0 GBADLO COC(=O)Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000275895208 1072465906 /nfs/dbraw/zinc/46/59/06/1072465906.db2.gz AFLOACAUDOYMJN-INIZCTEOSA-N 1 2 393.440 -0.508 20 0 GBADLO COC(=O)Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000275895210 1072465950 /nfs/dbraw/zinc/46/59/50/1072465950.db2.gz AFLOACAUDOYMJN-MRXNPFEDSA-N 1 2 393.440 -0.508 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000275897743 1072466815 /nfs/dbraw/zinc/46/68/15/1072466815.db2.gz ANLTYBHMFJEEFH-CYBMUJFWSA-N 1 2 379.413 -0.452 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000275897747 1072466994 /nfs/dbraw/zinc/46/69/94/1072466994.db2.gz ANLTYBHMFJEEFH-ZDUSSCGKSA-N 1 2 379.413 -0.452 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)[C@H](C)C1 ZINC000275902815 1072468461 /nfs/dbraw/zinc/46/84/61/1072468461.db2.gz JOCLVMFPRKLBQL-GFCCVEGCSA-N 1 2 394.428 -0.154 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)[C@H](C)C1 ZINC000275902815 1072468456 /nfs/dbraw/zinc/46/84/56/1072468456.db2.gz JOCLVMFPRKLBQL-GFCCVEGCSA-N 1 2 394.428 -0.154 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)[C@@H](C)C1 ZINC000275902818 1072468423 /nfs/dbraw/zinc/46/84/23/1072468423.db2.gz JOCLVMFPRKLBQL-LBPRGKRZSA-N 1 2 394.428 -0.154 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)[C@@H](C)C1 ZINC000275902818 1072468418 /nfs/dbraw/zinc/46/84/18/1072468418.db2.gz JOCLVMFPRKLBQL-LBPRGKRZSA-N 1 2 394.428 -0.154 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000275904690 1072469616 /nfs/dbraw/zinc/46/96/16/1072469616.db2.gz AXNOLGVZHLKQQU-AWEZNQCLSA-N 1 2 375.429 -0.337 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000275904691 1072469376 /nfs/dbraw/zinc/46/93/76/1072469376.db2.gz AXNOLGVZHLKQQU-CQSZACIVSA-N 1 2 375.429 -0.337 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)[C@H](C)C1 ZINC000275907036 1072470553 /nfs/dbraw/zinc/47/05/53/1072470553.db2.gz KCKMXMKYWFXNPX-LLVKDONJSA-N 1 2 377.401 -0.785 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)[C@H](C)C1 ZINC000275907036 1072470552 /nfs/dbraw/zinc/47/05/52/1072470552.db2.gz KCKMXMKYWFXNPX-LLVKDONJSA-N 1 2 377.401 -0.785 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)[C@@H](C)C1 ZINC000275907039 1072470179 /nfs/dbraw/zinc/47/01/79/1072470179.db2.gz KCKMXMKYWFXNPX-NSHDSACASA-N 1 2 377.401 -0.785 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)[C@@H](C)C1 ZINC000275907039 1072470176 /nfs/dbraw/zinc/47/01/76/1072470176.db2.gz KCKMXMKYWFXNPX-NSHDSACASA-N 1 2 377.401 -0.785 20 0 GBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1OC ZINC000275912561 1072470491 /nfs/dbraw/zinc/47/04/91/1072470491.db2.gz BLUMTDKTSWJQJD-AWEZNQCLSA-N 1 2 381.429 -0.206 20 0 GBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1OC ZINC000275912563 1072471337 /nfs/dbraw/zinc/47/13/37/1072471337.db2.gz BLUMTDKTSWJQJD-CQSZACIVSA-N 1 2 381.429 -0.206 20 0 GBADLO COCCCn1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)n1 ZINC000275916996 1072472023 /nfs/dbraw/zinc/47/20/23/1072472023.db2.gz LQEKAMYNHAVNOX-AWEZNQCLSA-N 1 2 395.460 -0.046 20 0 GBADLO COCCCn1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)n1 ZINC000275916996 1072472020 /nfs/dbraw/zinc/47/20/20/1072472020.db2.gz LQEKAMYNHAVNOX-AWEZNQCLSA-N 1 2 395.460 -0.046 20 0 GBADLO COCCCn1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)n1 ZINC000275917000 1072472341 /nfs/dbraw/zinc/47/23/41/1072472341.db2.gz LQEKAMYNHAVNOX-CQSZACIVSA-N 1 2 395.460 -0.046 20 0 GBADLO COCCCn1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)n1 ZINC000275917000 1072472337 /nfs/dbraw/zinc/47/23/37/1072472337.db2.gz LQEKAMYNHAVNOX-CQSZACIVSA-N 1 2 395.460 -0.046 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)[C@H](C)C1 ZINC000275921210 1072474285 /nfs/dbraw/zinc/47/42/85/1072474285.db2.gz MGEKNUWMSWJJSD-CYBMUJFWSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)[C@H](C)C1 ZINC000275921210 1072474279 /nfs/dbraw/zinc/47/42/79/1072474279.db2.gz MGEKNUWMSWJJSD-CYBMUJFWSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)[C@@H](C)C1 ZINC000275921213 1072473834 /nfs/dbraw/zinc/47/38/34/1072473834.db2.gz MGEKNUWMSWJJSD-ZDUSSCGKSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)[C@@H](C)C1 ZINC000275921213 1072473830 /nfs/dbraw/zinc/47/38/30/1072473830.db2.gz MGEKNUWMSWJJSD-ZDUSSCGKSA-N 1 2 378.429 -0.272 20 0 GBADLO CCOC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000275928755 1072479322 /nfs/dbraw/zinc/47/93/22/1072479322.db2.gz CQBSUCMTTNONQZ-INIZCTEOSA-N 1 2 393.440 -0.047 20 0 GBADLO CCOC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000275928758 1072479108 /nfs/dbraw/zinc/47/91/08/1072479108.db2.gz CQBSUCMTTNONQZ-MRXNPFEDSA-N 1 2 393.440 -0.047 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)[C@H](C)C1 ZINC000275939108 1072485760 /nfs/dbraw/zinc/48/57/60/1072485760.db2.gz PBGNRSGNJBXQAC-LLVKDONJSA-N 1 2 394.403 -0.041 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)[C@H](C)C1 ZINC000275939108 1072485752 /nfs/dbraw/zinc/48/57/52/1072485752.db2.gz PBGNRSGNJBXQAC-LLVKDONJSA-N 1 2 394.403 -0.041 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)[C@@H](C)C1 ZINC000275939113 1072485957 /nfs/dbraw/zinc/48/59/57/1072485957.db2.gz PBGNRSGNJBXQAC-NSHDSACASA-N 1 2 394.403 -0.041 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)[C@@H](C)C1 ZINC000275939113 1072485955 /nfs/dbraw/zinc/48/59/55/1072485955.db2.gz PBGNRSGNJBXQAC-NSHDSACASA-N 1 2 394.403 -0.041 20 0 GBADLO CCOC(=O)c1ccccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000275943449 1072487686 /nfs/dbraw/zinc/48/76/86/1072487686.db2.gz DMNOLSARRVRIME-AWEZNQCLSA-N 1 2 393.440 -0.047 20 0 GBADLO CCOC(=O)c1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000275943456 1072487640 /nfs/dbraw/zinc/48/76/40/1072487640.db2.gz DMNOLSARRVRIME-CQSZACIVSA-N 1 2 393.440 -0.047 20 0 GBADLO CNS(=O)(=O)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000275947860 1072488332 /nfs/dbraw/zinc/48/83/32/1072488332.db2.gz YTXBGWGTYPAZAX-UHFFFAOYSA-N 1 2 383.474 -0.824 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000275949524 1072487308 /nfs/dbraw/zinc/48/73/08/1072487308.db2.gz DZZQDNKBERHSSW-INIZCTEOSA-N 1 2 388.428 -0.643 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000275949535 1072487488 /nfs/dbraw/zinc/48/74/88/1072487488.db2.gz DZZQDNKBERHSSW-MRXNPFEDSA-N 1 2 388.428 -0.643 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000275949569 1072487498 /nfs/dbraw/zinc/48/74/98/1072487498.db2.gz FAHNMLRFLJRJRL-INIZCTEOSA-N 1 2 388.428 -0.643 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000275949572 1072487681 /nfs/dbraw/zinc/48/76/81/1072487681.db2.gz FAHNMLRFLJRJRL-MRXNPFEDSA-N 1 2 388.428 -0.643 20 0 GBADLO COCCn1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)n1 ZINC000275953397 1072488445 /nfs/dbraw/zinc/48/84/45/1072488445.db2.gz RHOOMEIOXKHFIS-CYBMUJFWSA-N 1 2 381.433 -0.436 20 0 GBADLO COCCn1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)n1 ZINC000275953397 1072488442 /nfs/dbraw/zinc/48/84/42/1072488442.db2.gz RHOOMEIOXKHFIS-CYBMUJFWSA-N 1 2 381.433 -0.436 20 0 GBADLO COCCn1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)n1 ZINC000275953400 1072488460 /nfs/dbraw/zinc/48/84/60/1072488460.db2.gz RHOOMEIOXKHFIS-ZDUSSCGKSA-N 1 2 381.433 -0.436 20 0 GBADLO COCCn1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)n1 ZINC000275953400 1072488457 /nfs/dbraw/zinc/48/84/57/1072488457.db2.gz RHOOMEIOXKHFIS-ZDUSSCGKSA-N 1 2 381.433 -0.436 20 0 GBADLO COC(=O)c1ccc(F)c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000275954963 1072489336 /nfs/dbraw/zinc/48/93/36/1072489336.db2.gz FJLPRSATONOQMO-CYBMUJFWSA-N 1 2 397.403 -0.298 20 0 GBADLO COC(=O)c1ccc(F)c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000275954965 1072489473 /nfs/dbraw/zinc/48/94/73/1072489473.db2.gz FJLPRSATONOQMO-ZDUSSCGKSA-N 1 2 397.403 -0.298 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)[C@H](C)C1 ZINC000275965914 1072489980 /nfs/dbraw/zinc/48/99/80/1072489980.db2.gz UCCKYWLKSGPJFJ-GFCCVEGCSA-N 1 2 377.445 -0.057 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)[C@H](C)C1 ZINC000275965914 1072489972 /nfs/dbraw/zinc/48/99/72/1072489972.db2.gz UCCKYWLKSGPJFJ-GFCCVEGCSA-N 1 2 377.445 -0.057 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)[C@@H](C)C1 ZINC000275965918 1072490252 /nfs/dbraw/zinc/49/02/52/1072490252.db2.gz UCCKYWLKSGPJFJ-LBPRGKRZSA-N 1 2 377.445 -0.057 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)[C@@H](C)C1 ZINC000275965918 1072490250 /nfs/dbraw/zinc/49/02/50/1072490250.db2.gz UCCKYWLKSGPJFJ-LBPRGKRZSA-N 1 2 377.445 -0.057 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)[C@H](C)C1 ZINC000275973533 1072491878 /nfs/dbraw/zinc/49/18/78/1072491878.db2.gz VCYHEHQXNPUEHF-LLVKDONJSA-N 1 2 394.403 -0.041 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)[C@H](C)C1 ZINC000275973533 1072491869 /nfs/dbraw/zinc/49/18/69/1072491869.db2.gz VCYHEHQXNPUEHF-LLVKDONJSA-N 1 2 394.403 -0.041 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)[C@@H](C)C1 ZINC000275973536 1072492166 /nfs/dbraw/zinc/49/21/66/1072492166.db2.gz VCYHEHQXNPUEHF-NSHDSACASA-N 1 2 394.403 -0.041 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)[C@@H](C)C1 ZINC000275973536 1072492160 /nfs/dbraw/zinc/49/21/60/1072492160.db2.gz VCYHEHQXNPUEHF-NSHDSACASA-N 1 2 394.403 -0.041 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)cc2)CC1 ZINC000275976477 1072493166 /nfs/dbraw/zinc/49/31/66/1072493166.db2.gz DIMFPFSAVTZKNV-ROUUACIJSA-N 1 2 390.484 -0.283 20 0 GBADLO COC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000275982403 1072496327 /nfs/dbraw/zinc/49/63/27/1072496327.db2.gz HRDPQONRIBQNCU-HNNXBMFYSA-N 1 2 379.413 -0.437 20 0 GBADLO COC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000275982411 1072495881 /nfs/dbraw/zinc/49/58/81/1072495881.db2.gz HRDPQONRIBQNCU-OAHLLOKOSA-N 1 2 379.413 -0.437 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)[C@H](C)C1 ZINC000275992575 1072503584 /nfs/dbraw/zinc/50/35/84/1072503584.db2.gz XQWCQJLPMZCTHA-GFCCVEGCSA-N 1 2 376.413 -0.180 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)[C@H](C)C1 ZINC000275992575 1072503578 /nfs/dbraw/zinc/50/35/78/1072503578.db2.gz XQWCQJLPMZCTHA-GFCCVEGCSA-N 1 2 376.413 -0.180 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)[C@@H](C)C1 ZINC000275992578 1072503847 /nfs/dbraw/zinc/50/38/47/1072503847.db2.gz XQWCQJLPMZCTHA-LBPRGKRZSA-N 1 2 376.413 -0.180 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)[C@@H](C)C1 ZINC000275992578 1072503838 /nfs/dbraw/zinc/50/38/38/1072503838.db2.gz XQWCQJLPMZCTHA-LBPRGKRZSA-N 1 2 376.413 -0.180 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N(CCO)CCCO)c2)CC1 ZINC000275995091 1072504741 /nfs/dbraw/zinc/50/47/41/1072504741.db2.gz VNHCATDYSCTPQK-UHFFFAOYSA-N 1 2 378.473 -0.424 20 0 GBADLO COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276000055 1072514502 /nfs/dbraw/zinc/51/45/02/1072514502.db2.gz IVYMIHGPQGPASY-AWEZNQCLSA-N 1 2 393.440 -0.128 20 0 GBADLO COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276000060 1072514998 /nfs/dbraw/zinc/51/49/98/1072514998.db2.gz IVYMIHGPQGPASY-CQSZACIVSA-N 1 2 393.440 -0.128 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(CCO)CCCO)cc2)CC1 ZINC000276000877 1072516828 /nfs/dbraw/zinc/51/68/28/1072516828.db2.gz WAXPKGJRMXFGNT-UHFFFAOYSA-N 1 2 392.500 -0.034 20 0 GBADLO COC(=O)Cc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000276009695 1072526423 /nfs/dbraw/zinc/52/64/23/1072526423.db2.gz JQUCQWOKZDZESR-INIZCTEOSA-N 1 2 393.440 -0.508 20 0 GBADLO COC(=O)Cc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000276009699 1072525734 /nfs/dbraw/zinc/52/57/34/1072525734.db2.gz JQUCQWOKZDZESR-MRXNPFEDSA-N 1 2 393.440 -0.508 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000276012085 1072529976 /nfs/dbraw/zinc/52/99/76/1072529976.db2.gz JXBLQXAHUWGGGM-INIZCTEOSA-N 1 2 387.440 -0.038 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000276012089 1072529536 /nfs/dbraw/zinc/52/95/36/1072529536.db2.gz JXBLQXAHUWGGGM-MRXNPFEDSA-N 1 2 387.440 -0.038 20 0 GBADLO COC(=O)c1scc(C)c1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276022845 1072534994 /nfs/dbraw/zinc/53/49/94/1072534994.db2.gz KRSPIQCKRMFTQS-GFCCVEGCSA-N 1 2 399.469 -0.067 20 0 GBADLO COC(=O)c1scc(C)c1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276022851 1072534937 /nfs/dbraw/zinc/53/49/37/1072534937.db2.gz KRSPIQCKRMFTQS-LBPRGKRZSA-N 1 2 399.469 -0.067 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)cc2OC)CC1 ZINC000276036525 1072540390 /nfs/dbraw/zinc/54/03/90/1072540390.db2.gz MQHBQEXMEKVHQQ-UHFFFAOYSA-N 1 2 399.469 -0.030 20 0 GBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(OC)c1 ZINC000276043244 1072541545 /nfs/dbraw/zinc/54/15/45/1072541545.db2.gz MGBFTIWWQQKWPO-CYBMUJFWSA-N 1 2 381.429 -0.206 20 0 GBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(OC)c1 ZINC000276043247 1072541287 /nfs/dbraw/zinc/54/12/87/1072541287.db2.gz MGBFTIWWQQKWPO-ZDUSSCGKSA-N 1 2 381.429 -0.206 20 0 GBADLO CN(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000276051840 1072548363 /nfs/dbraw/zinc/54/83/63/1072548363.db2.gz BKLIMLRGJVZWQU-UHFFFAOYSA-N 1 2 390.488 -0.240 20 0 GBADLO CC(C)n1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000276053552 1072548629 /nfs/dbraw/zinc/54/86/29/1072548629.db2.gz JIAFYHFHPGFEKW-UHFFFAOYSA-N 1 2 384.506 -0.286 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000276056372 1072548483 /nfs/dbraw/zinc/54/84/83/1072548483.db2.gz NFXALBHTTZJBPB-KRWDZBQOSA-N 1 2 387.440 -0.038 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000276056376 1072548681 /nfs/dbraw/zinc/54/86/81/1072548681.db2.gz NFXALBHTTZJBPB-QGZVFWFLSA-N 1 2 387.440 -0.038 20 0 GBADLO COC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC000276058376 1072549575 /nfs/dbraw/zinc/54/95/75/1072549575.db2.gz FSTYWBMXVGDEJM-GDBMZVCRSA-N 1 2 395.460 -0.584 20 0 GBADLO COC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000276058383 1072549528 /nfs/dbraw/zinc/54/95/28/1072549528.db2.gz FSTYWBMXVGDEJM-GOEBONIOSA-N 1 2 395.460 -0.584 20 0 GBADLO COC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000276058387 1072549369 /nfs/dbraw/zinc/54/93/69/1072549369.db2.gz FSTYWBMXVGDEJM-HOCLYGCPSA-N 1 2 395.460 -0.584 20 0 GBADLO COC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC000276058393 1072549605 /nfs/dbraw/zinc/54/96/05/1072549605.db2.gz FSTYWBMXVGDEJM-ZBFHGGJFSA-N 1 2 395.460 -0.584 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1F ZINC000276059598 1072549870 /nfs/dbraw/zinc/54/98/70/1072549870.db2.gz NLKGIRLWAVFPRS-CYBMUJFWSA-N 1 2 397.403 -0.298 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1F ZINC000276059605 1072550244 /nfs/dbraw/zinc/55/02/44/1072550244.db2.gz NLKGIRLWAVFPRS-ZDUSSCGKSA-N 1 2 397.403 -0.298 20 0 GBADLO COc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc(OC)c1 ZINC000276062491 1072549305 /nfs/dbraw/zinc/54/93/05/1072549305.db2.gz NQKZTGNTJWJVJR-AWEZNQCLSA-N 1 2 381.429 -0.206 20 0 GBADLO COc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(OC)c1 ZINC000276062493 1072549633 /nfs/dbraw/zinc/54/96/33/1072549633.db2.gz NQKZTGNTJWJVJR-CQSZACIVSA-N 1 2 381.429 -0.206 20 0 GBADLO COCCOc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000276065139 1072551282 /nfs/dbraw/zinc/55/12/82/1072551282.db2.gz NTPPOGUOAGFWFT-INIZCTEOSA-N 1 2 395.456 -0.198 20 0 GBADLO COCCOc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000276065142 1072551094 /nfs/dbraw/zinc/55/10/94/1072551094.db2.gz NTPPOGUOAGFWFT-MRXNPFEDSA-N 1 2 395.456 -0.198 20 0 GBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(Cl)n1 ZINC000276065223 1072551548 /nfs/dbraw/zinc/55/15/48/1072551548.db2.gz NVVMEZXOYPYTCA-LLVKDONJSA-N 1 2 386.836 -0.166 20 0 GBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(Cl)n1 ZINC000276065224 1072551324 /nfs/dbraw/zinc/55/13/24/1072551324.db2.gz NVVMEZXOYPYTCA-NSHDSACASA-N 1 2 386.836 -0.166 20 0 GBADLO Cc1cc2c(cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)OCO2 ZINC000276068017 1072552235 /nfs/dbraw/zinc/55/22/35/1072552235.db2.gz ODBFSYUSKLDQHN-CYBMUJFWSA-N 1 2 379.413 -0.186 20 0 GBADLO Cc1cc2c(cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)OCO2 ZINC000276068022 1072552351 /nfs/dbraw/zinc/55/23/51/1072552351.db2.gz ODBFSYUSKLDQHN-ZDUSSCGKSA-N 1 2 379.413 -0.186 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000276068158 1072552547 /nfs/dbraw/zinc/55/25/47/1072552547.db2.gz OETPAORGMPYPPU-KRWDZBQOSA-N 1 2 387.440 -0.038 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000276068163 1072552327 /nfs/dbraw/zinc/55/23/27/1072552327.db2.gz OETPAORGMPYPPU-QGZVFWFLSA-N 1 2 387.440 -0.038 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)c1)[NH+]1CCOCC1 ZINC000276072631 1072553105 /nfs/dbraw/zinc/55/31/05/1072553105.db2.gz CXOZAPSXWUZZNJ-DOMZBBRYSA-N 1 2 388.424 -0.060 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)c1)[NH+]1CCOCC1 ZINC000276072646 1072553267 /nfs/dbraw/zinc/55/32/67/1072553267.db2.gz CXOZAPSXWUZZNJ-IUODEOHRSA-N 1 2 388.424 -0.060 20 0 GBADLO C[C@@H](c1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)c1)[NH+]1CCOCC1 ZINC000276072660 1072553646 /nfs/dbraw/zinc/55/36/46/1072553646.db2.gz CXOZAPSXWUZZNJ-SWLSCSKDSA-N 1 2 388.424 -0.060 20 0 GBADLO C[C@@H](c1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)c1)[NH+]1CCOCC1 ZINC000276072667 1072553621 /nfs/dbraw/zinc/55/36/21/1072553621.db2.gz CXOZAPSXWUZZNJ-WFASDCNBSA-N 1 2 388.424 -0.060 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000276073582 1072552307 /nfs/dbraw/zinc/55/23/07/1072552307.db2.gz OOKXNQQYSOVMBP-HNNXBMFYSA-N 1 2 389.412 -0.173 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000276073583 1072552319 /nfs/dbraw/zinc/55/23/19/1072552319.db2.gz OOKXNQQYSOVMBP-OAHLLOKOSA-N 1 2 389.412 -0.173 20 0 GBADLO CC(C)Oc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000276075934 1072553518 /nfs/dbraw/zinc/55/35/18/1072553518.db2.gz OTMMBKMSTMWACO-HNNXBMFYSA-N 1 2 380.445 -0.041 20 0 GBADLO CC(C)Oc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000276075936 1072553031 /nfs/dbraw/zinc/55/30/31/1072553031.db2.gz OTMMBKMSTMWACO-OAHLLOKOSA-N 1 2 380.445 -0.041 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000276081243 1072554041 /nfs/dbraw/zinc/55/40/41/1072554041.db2.gz PCRKNBVLNCJTEW-AWEZNQCLSA-N 1 2 379.413 -0.452 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000276081249 1072554221 /nfs/dbraw/zinc/55/42/21/1072554221.db2.gz PCRKNBVLNCJTEW-CQSZACIVSA-N 1 2 379.413 -0.452 20 0 GBADLO CC[C@]1(CO)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000276085105 1072555270 /nfs/dbraw/zinc/55/52/70/1072555270.db2.gz IBBAQZCCKLASEW-GOSISDBHSA-N 1 2 379.461 -0.083 20 0 GBADLO CC[C@@]1(CO)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000276085109 1072555508 /nfs/dbraw/zinc/55/55/08/1072555508.db2.gz IBBAQZCCKLASEW-SFHVURJKSA-N 1 2 379.461 -0.083 20 0 GBADLO CC(C)Oc1ncccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276087314 1072556782 /nfs/dbraw/zinc/55/67/82/1072556782.db2.gz PKKQPHAGNWBVEM-AWEZNQCLSA-N 1 2 380.445 -0.041 20 0 GBADLO CC(C)Oc1ncccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276087319 1072556379 /nfs/dbraw/zinc/55/63/79/1072556379.db2.gz PKKQPHAGNWBVEM-CQSZACIVSA-N 1 2 380.445 -0.041 20 0 GBADLO COC(=O)c1ccc(C)c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000276093085 1072557102 /nfs/dbraw/zinc/55/71/02/1072557102.db2.gz PZIZITAGGTWWBP-HNNXBMFYSA-N 1 2 393.440 -0.128 20 0 GBADLO COC(=O)c1ccc(C)c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000276093088 1072557389 /nfs/dbraw/zinc/55/73/89/1072557389.db2.gz PZIZITAGGTWWBP-OAHLLOKOSA-N 1 2 393.440 -0.128 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000276098430 1072559567 /nfs/dbraw/zinc/55/95/67/1072559567.db2.gz QJDBODILDXMBGH-CYBMUJFWSA-N 1 2 397.403 -0.298 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(F)c1 ZINC000276098433 1072559459 /nfs/dbraw/zinc/55/94/59/1072559459.db2.gz QJDBODILDXMBGH-ZDUSSCGKSA-N 1 2 397.403 -0.298 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000276103042 1072560229 /nfs/dbraw/zinc/56/02/29/1072560229.db2.gz QURATQZAIIGTMM-HNNXBMFYSA-N 1 2 379.413 -0.437 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000276103045 1072560407 /nfs/dbraw/zinc/56/04/07/1072560407.db2.gz QURATQZAIIGTMM-OAHLLOKOSA-N 1 2 379.413 -0.437 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOC[C@H]1C1CC1 ZINC000276105244 1072561708 /nfs/dbraw/zinc/56/17/08/1072561708.db2.gz QXMAOXAJTCLQAC-INIZCTEOSA-N 1 2 377.445 -0.209 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000276105246 1072561684 /nfs/dbraw/zinc/56/16/84/1072561684.db2.gz QXMAOXAJTCLQAC-MRXNPFEDSA-N 1 2 377.445 -0.209 20 0 GBADLO COC(=O)c1c(F)cccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276110437 1072561468 /nfs/dbraw/zinc/56/14/68/1072561468.db2.gz RKDWEKNMDWYMGL-GFCCVEGCSA-N 1 2 397.403 -0.298 20 0 GBADLO COC(=O)c1c(F)cccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276110440 1072561541 /nfs/dbraw/zinc/56/15/41/1072561541.db2.gz RKDWEKNMDWYMGL-LBPRGKRZSA-N 1 2 397.403 -0.298 20 0 GBADLO CN(CC(C)(CO)CO)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000276116292 1072562294 /nfs/dbraw/zinc/56/22/94/1072562294.db2.gz HFQHMHRKZDCTHY-UHFFFAOYSA-N 1 2 392.500 -0.178 20 0 GBADLO COc1cc(F)c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1OC ZINC000276117378 1072563827 /nfs/dbraw/zinc/56/38/27/1072563827.db2.gz RXGKSEJCJKKQPW-GFCCVEGCSA-N 1 2 399.419 -0.067 20 0 GBADLO COc1cc(F)c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1OC ZINC000276117383 1072563608 /nfs/dbraw/zinc/56/36/08/1072563608.db2.gz RXGKSEJCJKKQPW-LBPRGKRZSA-N 1 2 399.419 -0.067 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000276117453 1072563761 /nfs/dbraw/zinc/56/37/61/1072563761.db2.gz RXYXYECQYHXHKC-HNNXBMFYSA-N 1 2 393.440 -0.446 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000276117455 1072563504 /nfs/dbraw/zinc/56/35/04/1072563504.db2.gz RXYXYECQYHXHKC-OAHLLOKOSA-N 1 2 393.440 -0.446 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000276119456 1072563711 /nfs/dbraw/zinc/56/37/11/1072563711.db2.gz SARWODZLCRLVAX-INIZCTEOSA-N 1 2 376.457 -0.231 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000276119460 1072563224 /nfs/dbraw/zinc/56/32/24/1072563224.db2.gz SARWODZLCRLVAX-MRXNPFEDSA-N 1 2 376.457 -0.231 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000276136546 1072566577 /nfs/dbraw/zinc/56/65/77/1072566577.db2.gz UGMXFSYSCHOKGB-INIZCTEOSA-N 1 2 388.428 -0.643 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000276136548 1072566114 /nfs/dbraw/zinc/56/61/14/1072566114.db2.gz UGMXFSYSCHOKGB-MRXNPFEDSA-N 1 2 388.428 -0.643 20 0 GBADLO COC(=O)c1sccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276157260 1072573226 /nfs/dbraw/zinc/57/32/26/1072573226.db2.gz VUPRHXGGEVWWQJ-LLVKDONJSA-N 1 2 385.442 -0.375 20 0 GBADLO COC(=O)c1sccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276157261 1072573895 /nfs/dbraw/zinc/57/38/95/1072573895.db2.gz VUPRHXGGEVWWQJ-NSHDSACASA-N 1 2 385.442 -0.375 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000276167880 1072576313 /nfs/dbraw/zinc/57/63/13/1072576313.db2.gz WIDLTDYPORYOMF-HNNXBMFYSA-N 1 2 392.456 -0.395 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000276167883 1072576344 /nfs/dbraw/zinc/57/63/44/1072576344.db2.gz WIDLTDYPORYOMF-OAHLLOKOSA-N 1 2 392.456 -0.395 20 0 GBADLO COC(=O)c1ccsc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276177318 1072579464 /nfs/dbraw/zinc/57/94/64/1072579464.db2.gz XCHYYWPTKWSLMS-LLVKDONJSA-N 1 2 385.442 -0.375 20 0 GBADLO COC(=O)c1ccsc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276177320 1072579561 /nfs/dbraw/zinc/57/95/61/1072579561.db2.gz XCHYYWPTKWSLMS-NSHDSACASA-N 1 2 385.442 -0.375 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000276177577 1072579769 /nfs/dbraw/zinc/57/97/69/1072579769.db2.gz XHAOZNIGAHLYEB-KRWDZBQOSA-N 1 2 387.440 -0.038 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000276177582 1072579424 /nfs/dbraw/zinc/57/94/24/1072579424.db2.gz XHAOZNIGAHLYEB-QGZVFWFLSA-N 1 2 387.440 -0.038 20 0 GBADLO COc1cc(OC)c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1F ZINC000276182463 1072581881 /nfs/dbraw/zinc/58/18/81/1072581881.db2.gz XRMLTGQOGZUMRP-GFCCVEGCSA-N 1 2 399.419 -0.067 20 0 GBADLO COc1cc(OC)c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1F ZINC000276182465 1072581232 /nfs/dbraw/zinc/58/12/32/1072581232.db2.gz XRMLTGQOGZUMRP-LBPRGKRZSA-N 1 2 399.419 -0.067 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC3=O)c2)CC1 ZINC000276183823 1072581640 /nfs/dbraw/zinc/58/16/40/1072581640.db2.gz MFUPYDULKJRHMA-HNNXBMFYSA-N 1 2 387.440 -0.706 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC(=O)NC3=O)c2)CC1 ZINC000276183827 1072581763 /nfs/dbraw/zinc/58/17/63/1072581763.db2.gz MFUPYDULKJRHMA-OAHLLOKOSA-N 1 2 387.440 -0.706 20 0 GBADLO CCOC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1C ZINC000276192039 1072583351 /nfs/dbraw/zinc/58/33/51/1072583351.db2.gz YHXBMIJUVDANGK-AWEZNQCLSA-N 1 2 396.444 -0.708 20 0 GBADLO CCOC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1C ZINC000276192045 1072583267 /nfs/dbraw/zinc/58/32/67/1072583267.db2.gz YHXBMIJUVDANGK-CQSZACIVSA-N 1 2 396.444 -0.708 20 0 GBADLO COC(=O)c1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276194740 1072582757 /nfs/dbraw/zinc/58/27/57/1072582757.db2.gz YOUGPTIXGRUKTM-CYBMUJFWSA-N 1 2 379.413 -0.437 20 0 GBADLO COC(=O)c1ccccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276194741 1072582609 /nfs/dbraw/zinc/58/26/09/1072582609.db2.gz YOUGPTIXGRUKTM-ZDUSSCGKSA-N 1 2 379.413 -0.437 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000276197023 1072583529 /nfs/dbraw/zinc/58/35/29/1072583529.db2.gz YRCXXZLFGRUHQN-CABCVRRESA-N 1 2 377.441 -0.048 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000276197027 1072583488 /nfs/dbraw/zinc/58/34/88/1072583488.db2.gz YRCXXZLFGRUHQN-GJZGRUSLSA-N 1 2 377.441 -0.048 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000276197030 1072583315 /nfs/dbraw/zinc/58/33/15/1072583315.db2.gz YRCXXZLFGRUHQN-HUUCEWRRSA-N 1 2 377.441 -0.048 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000276197034 1072583295 /nfs/dbraw/zinc/58/32/95/1072583295.db2.gz YRCXXZLFGRUHQN-LSDHHAIUSA-N 1 2 377.441 -0.048 20 0 GBADLO CN(CC[NH+]1CCOCC1)c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000276203230 1072584461 /nfs/dbraw/zinc/58/44/61/1072584461.db2.gz JBMGUIPOQPDPSS-UHFFFAOYSA-N 1 2 382.486 -0.279 20 0 GBADLO CCN1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000276209392 1072584939 /nfs/dbraw/zinc/58/49/39/1072584939.db2.gz KNEJDXOTYIKSBX-AWEZNQCLSA-N 1 2 396.513 -0.065 20 0 GBADLO CCN1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000276209392 1072584934 /nfs/dbraw/zinc/58/49/34/1072584934.db2.gz KNEJDXOTYIKSBX-AWEZNQCLSA-N 1 2 396.513 -0.065 20 0 GBADLO CCN1CCC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000276209403 1072585172 /nfs/dbraw/zinc/58/51/72/1072585172.db2.gz KNEJDXOTYIKSBX-CQSZACIVSA-N 1 2 396.513 -0.065 20 0 GBADLO CCN1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000276209403 1072585170 /nfs/dbraw/zinc/58/51/70/1072585170.db2.gz KNEJDXOTYIKSBX-CQSZACIVSA-N 1 2 396.513 -0.065 20 0 GBADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1C ZINC000276211492 1072585038 /nfs/dbraw/zinc/58/50/38/1072585038.db2.gz ZYVRVQIXLWKBJD-HNNXBMFYSA-N 1 2 393.440 -0.128 20 0 GBADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1C ZINC000276211500 1072585108 /nfs/dbraw/zinc/58/51/08/1072585108.db2.gz ZYVRVQIXLWKBJD-OAHLLOKOSA-N 1 2 393.440 -0.128 20 0 GBADLO CCOCCOC1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000276220000 1072590236 /nfs/dbraw/zinc/59/02/36/1072590236.db2.gz WXUYFDHHZXDYLQ-UHFFFAOYSA-N 1 2 395.460 -0.582 20 0 GBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000276227084 1072589067 /nfs/dbraw/zinc/58/90/67/1072589067.db2.gz JWBRDPKAESTOJP-UHFFFAOYSA-N 1 2 395.423 -0.025 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CCO1 ZINC000276227914 1072589465 /nfs/dbraw/zinc/58/94/65/1072589465.db2.gz DTVXCJIENZDZTO-CABCVRRESA-N 1 2 392.456 -0.081 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CCO1 ZINC000276227914 1072589457 /nfs/dbraw/zinc/58/94/57/1072589457.db2.gz DTVXCJIENZDZTO-CABCVRRESA-N 1 2 392.456 -0.081 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CCO1 ZINC000276227918 1072588757 /nfs/dbraw/zinc/58/87/57/1072588757.db2.gz DTVXCJIENZDZTO-GJZGRUSLSA-N 1 2 392.456 -0.081 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CCO1 ZINC000276227918 1072588748 /nfs/dbraw/zinc/58/87/48/1072588748.db2.gz DTVXCJIENZDZTO-GJZGRUSLSA-N 1 2 392.456 -0.081 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CCO1 ZINC000276227922 1072589195 /nfs/dbraw/zinc/58/91/95/1072589195.db2.gz DTVXCJIENZDZTO-HUUCEWRRSA-N 1 2 392.456 -0.081 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CCO1 ZINC000276227922 1072589187 /nfs/dbraw/zinc/58/91/87/1072589187.db2.gz DTVXCJIENZDZTO-HUUCEWRRSA-N 1 2 392.456 -0.081 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CCO1 ZINC000276227927 1072588971 /nfs/dbraw/zinc/58/89/71/1072588971.db2.gz DTVXCJIENZDZTO-LSDHHAIUSA-N 1 2 392.456 -0.081 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CCO1 ZINC000276227927 1072588964 /nfs/dbraw/zinc/58/89/64/1072588964.db2.gz DTVXCJIENZDZTO-LSDHHAIUSA-N 1 2 392.456 -0.081 20 0 GBADLO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000276237103 1072591274 /nfs/dbraw/zinc/59/12/74/1072591274.db2.gz XJHYRFAHXMYFFC-CYBMUJFWSA-N 1 2 398.485 -0.316 20 0 GBADLO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000276237106 1072591217 /nfs/dbraw/zinc/59/12/17/1072591217.db2.gz XJHYRFAHXMYFFC-ZDUSSCGKSA-N 1 2 398.485 -0.316 20 0 GBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC000276238823 1072590783 /nfs/dbraw/zinc/59/07/83/1072590783.db2.gz BUSBXCLJRLKFAU-UHFFFAOYSA-N 1 2 386.460 -0.067 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)c2)CC1 ZINC000276261291 1072593989 /nfs/dbraw/zinc/59/39/89/1072593989.db2.gz ZZMTYYCHTFLTNK-IRXDYDNUSA-N 1 2 376.457 -0.673 20 0 GBADLO CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000276264599 1072594022 /nfs/dbraw/zinc/59/40/22/1072594022.db2.gz ZTNDJFZDQKAYCO-UHFFFAOYSA-N 1 2 397.501 -0.962 20 0 GBADLO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000276266793 1072594802 /nfs/dbraw/zinc/59/48/02/1072594802.db2.gz GNAUXHHZHIXSEB-CVEARBPZSA-N 1 2 392.500 -0.037 20 0 GBADLO C[C@H](O)CN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H](C)CO ZINC000276266800 1072594856 /nfs/dbraw/zinc/59/48/56/1072594856.db2.gz GNAUXHHZHIXSEB-HOTGVXAUSA-N 1 2 392.500 -0.037 20 0 GBADLO C[C@@H](O)CN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H](C)CO ZINC000276266806 1072594731 /nfs/dbraw/zinc/59/47/31/1072594731.db2.gz GNAUXHHZHIXSEB-HZPDHXFCSA-N 1 2 392.500 -0.037 20 0 GBADLO C[C@@H](O)CN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H](C)CO ZINC000276266813 1072594816 /nfs/dbraw/zinc/59/48/16/1072594816.db2.gz GNAUXHHZHIXSEB-JKSUJKDBSA-N 1 2 392.500 -0.037 20 0 GBADLO COCCOCCOCC[N@@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000276277410 1072594524 /nfs/dbraw/zinc/59/45/24/1072594524.db2.gz QYIDQYLLVAXGLH-UHFFFAOYSA-N 1 2 389.474 -0.116 20 0 GBADLO COCCOCCOCC[N@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000276277410 1072594513 /nfs/dbraw/zinc/59/45/13/1072594513.db2.gz QYIDQYLLVAXGLH-UHFFFAOYSA-N 1 2 389.474 -0.116 20 0 GBADLO CCOC(=O)C1=C(C[N@H+]2CC[C@](O)(C(N)=O)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000276284320 1072594694 /nfs/dbraw/zinc/59/46/94/1072594694.db2.gz FXHPCASCLCPADQ-CXAGYDPISA-N 1 2 378.385 -0.627 20 0 GBADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@](O)(C(N)=O)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000276284320 1072594687 /nfs/dbraw/zinc/59/46/87/1072594687.db2.gz FXHPCASCLCPADQ-CXAGYDPISA-N 1 2 378.385 -0.627 20 0 GBADLO CCOC(=O)C1=C(C[N@H+]2CC[C@@](O)(C(N)=O)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000276284328 1072594951 /nfs/dbraw/zinc/59/49/51/1072594951.db2.gz FXHPCASCLCPADQ-DYVFJYSZSA-N 1 2 378.385 -0.627 20 0 GBADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@@](O)(C(N)=O)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000276284328 1072594943 /nfs/dbraw/zinc/59/49/43/1072594943.db2.gz FXHPCASCLCPADQ-DYVFJYSZSA-N 1 2 378.385 -0.627 20 0 GBADLO CCOC(=O)C1=C(C[N@H+]2CC[C@@](O)(C(N)=O)C2)NC(=O)N[C@H]1c1ccco1 ZINC000276284333 1072595016 /nfs/dbraw/zinc/59/50/16/1072595016.db2.gz FXHPCASCLCPADQ-GUYCJALGSA-N 1 2 378.385 -0.627 20 0 GBADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@@](O)(C(N)=O)C2)NC(=O)N[C@H]1c1ccco1 ZINC000276284333 1072595006 /nfs/dbraw/zinc/59/50/06/1072595006.db2.gz FXHPCASCLCPADQ-GUYCJALGSA-N 1 2 378.385 -0.627 20 0 GBADLO CCOC(=O)C1=C(C[N@H+]2CC[C@](O)(C(N)=O)C2)NC(=O)N[C@H]1c1ccco1 ZINC000276284338 1072595509 /nfs/dbraw/zinc/59/55/09/1072595509.db2.gz FXHPCASCLCPADQ-SUMWQHHRSA-N 1 2 378.385 -0.627 20 0 GBADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@](O)(C(N)=O)C2)NC(=O)N[C@H]1c1ccco1 ZINC000276284338 1072595495 /nfs/dbraw/zinc/59/54/95/1072595495.db2.gz FXHPCASCLCPADQ-SUMWQHHRSA-N 1 2 378.385 -0.627 20 0 GBADLO COCCOCCOCC[N@@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000276297910 1072595819 /nfs/dbraw/zinc/59/58/19/1072595819.db2.gz VAKPWHYWHRIYRK-UHFFFAOYSA-N 1 2 389.474 -0.116 20 0 GBADLO COCCOCCOCC[N@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000276297910 1072595816 /nfs/dbraw/zinc/59/58/16/1072595816.db2.gz VAKPWHYWHRIYRK-UHFFFAOYSA-N 1 2 389.474 -0.116 20 0 GBADLO CCOCCOCC[N@@H+](C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000276301752 1072596870 /nfs/dbraw/zinc/59/68/70/1072596870.db2.gz VUEABASXNBQZNQ-UHFFFAOYSA-N 1 2 384.477 -0.047 20 0 GBADLO CCOCCOCC[N@H+](C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000276301752 1072596856 /nfs/dbraw/zinc/59/68/56/1072596856.db2.gz VUEABASXNBQZNQ-UHFFFAOYSA-N 1 2 384.477 -0.047 20 0 GBADLO COCCOCCOCC[N@@H+](C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000276312599 1072598513 /nfs/dbraw/zinc/59/85/13/1072598513.db2.gz XKSIXMJRMGQXIJ-UHFFFAOYSA-N 1 2 384.433 -0.340 20 0 GBADLO COCCOCCOCC[N@H+](C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000276312599 1072598510 /nfs/dbraw/zinc/59/85/10/1072598510.db2.gz XKSIXMJRMGQXIJ-UHFFFAOYSA-N 1 2 384.433 -0.340 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000276319858 1072599259 /nfs/dbraw/zinc/59/92/59/1072599259.db2.gz GNPGMZGEIRWSNT-UHFFFAOYSA-N 1 2 399.455 -0.201 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CC(C)(CO)CO ZINC000276343838 1072603759 /nfs/dbraw/zinc/60/37/59/1072603759.db2.gz YQPKGXQVLYVCIN-UHFFFAOYSA-N 1 2 380.445 -0.386 20 0 GBADLO CCN1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1=O ZINC000276350191 1072604445 /nfs/dbraw/zinc/60/44/45/1072604445.db2.gz KPIQDNQTDJMWND-UHFFFAOYSA-N 1 2 392.460 -0.765 20 0 GBADLO C[C@H]1C(=O)Nc2cc(C(=O)N3CCO[C@H](C[N@@H+](C)CC(N)=O)C3)ccc2N1C ZINC000276367314 1072610358 /nfs/dbraw/zinc/61/03/58/1072610358.db2.gz IOVVHTUJTJDJGF-GXTWGEPZSA-N 1 2 389.456 -0.279 20 0 GBADLO C[C@H]1C(=O)Nc2cc(C(=O)N3CCO[C@H](C[N@H+](C)CC(N)=O)C3)ccc2N1C ZINC000276367314 1072610356 /nfs/dbraw/zinc/61/03/56/1072610356.db2.gz IOVVHTUJTJDJGF-GXTWGEPZSA-N 1 2 389.456 -0.279 20 0 GBADLO C[C@H]1C(=O)Nc2cc(C(=O)N3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)ccc2N1C ZINC000276367321 1072610340 /nfs/dbraw/zinc/61/03/40/1072610340.db2.gz IOVVHTUJTJDJGF-JSGCOSHPSA-N 1 2 389.456 -0.279 20 0 GBADLO C[C@H]1C(=O)Nc2cc(C(=O)N3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)ccc2N1C ZINC000276367321 1072610337 /nfs/dbraw/zinc/61/03/37/1072610337.db2.gz IOVVHTUJTJDJGF-JSGCOSHPSA-N 1 2 389.456 -0.279 20 0 GBADLO C[C@@H]1C(=O)Nc2cc(C(=O)N3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)ccc2N1C ZINC000276367328 1072610304 /nfs/dbraw/zinc/61/03/04/1072610304.db2.gz IOVVHTUJTJDJGF-OCCSQVGLSA-N 1 2 389.456 -0.279 20 0 GBADLO C[C@@H]1C(=O)Nc2cc(C(=O)N3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)ccc2N1C ZINC000276367328 1072610299 /nfs/dbraw/zinc/61/02/99/1072610299.db2.gz IOVVHTUJTJDJGF-OCCSQVGLSA-N 1 2 389.456 -0.279 20 0 GBADLO C[C@@H]1C(=O)Nc2cc(C(=O)N3CCO[C@H](C[N@@H+](C)CC(N)=O)C3)ccc2N1C ZINC000276367337 1072610364 /nfs/dbraw/zinc/61/03/64/1072610364.db2.gz IOVVHTUJTJDJGF-TZMCWYRMSA-N 1 2 389.456 -0.279 20 0 GBADLO C[C@@H]1C(=O)Nc2cc(C(=O)N3CCO[C@H](C[N@H+](C)CC(N)=O)C3)ccc2N1C ZINC000276367337 1072610363 /nfs/dbraw/zinc/61/03/63/1072610363.db2.gz IOVVHTUJTJDJGF-TZMCWYRMSA-N 1 2 389.456 -0.279 20 0 GBADLO O=C(NCC1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000276435853 1072621693 /nfs/dbraw/zinc/62/16/93/1072621693.db2.gz GLAJBLBQOQAXJE-HNNXBMFYSA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(NCC1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000276435853 1072621691 /nfs/dbraw/zinc/62/16/91/1072621691.db2.gz GLAJBLBQOQAXJE-HNNXBMFYSA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(NCC1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000276435856 1072621799 /nfs/dbraw/zinc/62/17/99/1072621799.db2.gz GLAJBLBQOQAXJE-OAHLLOKOSA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(NCC1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000276435856 1072621794 /nfs/dbraw/zinc/62/17/94/1072621794.db2.gz GLAJBLBQOQAXJE-OAHLLOKOSA-N 1 2 388.472 -0.076 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3cncc(Cl)n3)CC2)CC1 ZINC000276439243 530240380 /nfs/dbraw/zinc/24/03/80/530240380.db2.gz LWQLIXCWXDHPMH-UHFFFAOYSA-N 1 2 388.881 -0.620 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1S(=O)(=O)N(C)C ZINC000276450723 1072625918 /nfs/dbraw/zinc/62/59/18/1072625918.db2.gz MVLMRUZVPPMDGN-INIZCTEOSA-N 1 2 384.458 -0.894 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1S(=O)(=O)N(C)C ZINC000276450723 1072625915 /nfs/dbraw/zinc/62/59/15/1072625915.db2.gz MVLMRUZVPPMDGN-INIZCTEOSA-N 1 2 384.458 -0.894 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)cc1S(=O)(=O)N(C)C ZINC000276450724 1072625535 /nfs/dbraw/zinc/62/55/35/1072625535.db2.gz MVLMRUZVPPMDGN-MRXNPFEDSA-N 1 2 384.458 -0.894 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1S(=O)(=O)N(C)C ZINC000276450724 1072625526 /nfs/dbraw/zinc/62/55/26/1072625526.db2.gz MVLMRUZVPPMDGN-MRXNPFEDSA-N 1 2 384.458 -0.894 20 0 GBADLO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000276464765 1072627412 /nfs/dbraw/zinc/62/74/12/1072627412.db2.gz PGJKQZDWMBTKOD-GOSISDBHSA-N 1 2 392.481 -0.264 20 0 GBADLO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000276464765 1072627405 /nfs/dbraw/zinc/62/74/05/1072627405.db2.gz PGJKQZDWMBTKOD-GOSISDBHSA-N 1 2 392.481 -0.264 20 0 GBADLO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000276464771 1072627746 /nfs/dbraw/zinc/62/77/46/1072627746.db2.gz PGJKQZDWMBTKOD-SFHVURJKSA-N 1 2 392.481 -0.264 20 0 GBADLO NC(=O)[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000276464771 1072627742 /nfs/dbraw/zinc/62/77/42/1072627742.db2.gz PGJKQZDWMBTKOD-SFHVURJKSA-N 1 2 392.481 -0.264 20 0 GBADLO COc1ccnc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1OC ZINC000276483804 1072153835 /nfs/dbraw/zinc/15/38/35/1072153835.db2.gz PFXIVETXQFRANV-UHFFFAOYSA-N 1 2 399.517 -0.291 20 0 GBADLO COCCc1ccccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276484742 1072153795 /nfs/dbraw/zinc/15/37/95/1072153795.db2.gz UACNLPLADXJION-INIZCTEOSA-N 1 2 379.457 -0.035 20 0 GBADLO COCCc1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276484744 1072153531 /nfs/dbraw/zinc/15/35/31/1072153531.db2.gz UACNLPLADXJION-MRXNPFEDSA-N 1 2 379.457 -0.035 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000276512936 1072158587 /nfs/dbraw/zinc/15/85/87/1072158587.db2.gz LBIYULVHTVJRFX-AWEZNQCLSA-N 1 2 389.456 -0.273 20 0 GBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000276512939 1072158553 /nfs/dbraw/zinc/15/85/53/1072158553.db2.gz LBIYULVHTVJRFX-CQSZACIVSA-N 1 2 389.456 -0.273 20 0 GBADLO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000276524693 1072161315 /nfs/dbraw/zinc/16/13/15/1072161315.db2.gz QTOWVGGAXOBTIT-BBRMVZONSA-N 1 2 380.445 -0.322 20 0 GBADLO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000276524693 1072161311 /nfs/dbraw/zinc/16/13/11/1072161311.db2.gz QTOWVGGAXOBTIT-BBRMVZONSA-N 1 2 380.445 -0.322 20 0 GBADLO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000276524696 1072161489 /nfs/dbraw/zinc/16/14/89/1072161489.db2.gz QTOWVGGAXOBTIT-CJNGLKHVSA-N 1 2 380.445 -0.322 20 0 GBADLO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000276524696 1072161484 /nfs/dbraw/zinc/16/14/84/1072161484.db2.gz QTOWVGGAXOBTIT-CJNGLKHVSA-N 1 2 380.445 -0.322 20 0 GBADLO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000276524698 1072161395 /nfs/dbraw/zinc/16/13/95/1072161395.db2.gz QTOWVGGAXOBTIT-CZUORRHYSA-N 1 2 380.445 -0.322 20 0 GBADLO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000276524698 1072161391 /nfs/dbraw/zinc/16/13/91/1072161391.db2.gz QTOWVGGAXOBTIT-CZUORRHYSA-N 1 2 380.445 -0.322 20 0 GBADLO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000276524701 1072161188 /nfs/dbraw/zinc/16/11/88/1072161188.db2.gz QTOWVGGAXOBTIT-XJKSGUPXSA-N 1 2 380.445 -0.322 20 0 GBADLO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000276524701 1072161185 /nfs/dbraw/zinc/16/11/85/1072161185.db2.gz QTOWVGGAXOBTIT-XJKSGUPXSA-N 1 2 380.445 -0.322 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000276555138 530240293 /nfs/dbraw/zinc/24/02/93/530240293.db2.gz KWVIRDNZFGXCKG-CYBMUJFWSA-N 1 2 376.504 -0.139 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000276555143 530240216 /nfs/dbraw/zinc/24/02/16/530240216.db2.gz KWVIRDNZFGXCKG-ZDUSSCGKSA-N 1 2 376.504 -0.139 20 0 GBADLO CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000276592371 1072179037 /nfs/dbraw/zinc/17/90/37/1072179037.db2.gz DJXMTRBGYDZQAX-INIZCTEOSA-N 1 2 388.472 -0.124 20 0 GBADLO CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000276592371 1072179033 /nfs/dbraw/zinc/17/90/33/1072179033.db2.gz DJXMTRBGYDZQAX-INIZCTEOSA-N 1 2 388.472 -0.124 20 0 GBADLO CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000276592374 1072179443 /nfs/dbraw/zinc/17/94/43/1072179443.db2.gz DJXMTRBGYDZQAX-MRXNPFEDSA-N 1 2 388.472 -0.124 20 0 GBADLO CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000276592374 1072179435 /nfs/dbraw/zinc/17/94/35/1072179435.db2.gz DJXMTRBGYDZQAX-MRXNPFEDSA-N 1 2 388.472 -0.124 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000276633875 1072184181 /nfs/dbraw/zinc/18/41/81/1072184181.db2.gz XIKDDXYCTSBMJK-CABCVRRESA-N 1 2 378.477 -0.231 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000276633878 1072184091 /nfs/dbraw/zinc/18/40/91/1072184091.db2.gz XIKDDXYCTSBMJK-GJZGRUSLSA-N 1 2 378.477 -0.231 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000276633881 1072184160 /nfs/dbraw/zinc/18/41/60/1072184160.db2.gz XIKDDXYCTSBMJK-HUUCEWRRSA-N 1 2 378.477 -0.231 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000276633885 1072184080 /nfs/dbraw/zinc/18/40/80/1072184080.db2.gz XIKDDXYCTSBMJK-LSDHHAIUSA-N 1 2 378.477 -0.231 20 0 GBADLO COc1cc(C=O)ccc1OCCC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000276676133 1072191657 /nfs/dbraw/zinc/19/16/57/1072191657.db2.gz ZMKHRJYFPKQTQA-HNNXBMFYSA-N 1 2 393.440 -0.079 20 0 GBADLO COc1cc(C=O)ccc1OCCC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000276676133 1072191651 /nfs/dbraw/zinc/19/16/51/1072191651.db2.gz ZMKHRJYFPKQTQA-HNNXBMFYSA-N 1 2 393.440 -0.079 20 0 GBADLO COc1cc(C=O)ccc1OCCC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000276676148 1072191466 /nfs/dbraw/zinc/19/14/66/1072191466.db2.gz ZMKHRJYFPKQTQA-OAHLLOKOSA-N 1 2 393.440 -0.079 20 0 GBADLO COc1cc(C=O)ccc1OCCC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000276676148 1072191451 /nfs/dbraw/zinc/19/14/51/1072191451.db2.gz ZMKHRJYFPKQTQA-OAHLLOKOSA-N 1 2 393.440 -0.079 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000276679033 1072193630 /nfs/dbraw/zinc/19/36/30/1072193630.db2.gz VVNALSVOCUOLST-MHORFTMASA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000276679033 1072193621 /nfs/dbraw/zinc/19/36/21/1072193621.db2.gz VVNALSVOCUOLST-MHORFTMASA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679033 1072193615 /nfs/dbraw/zinc/19/36/15/1072193615.db2.gz VVNALSVOCUOLST-MHORFTMASA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679033 1072193609 /nfs/dbraw/zinc/19/36/09/1072193609.db2.gz VVNALSVOCUOLST-MHORFTMASA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1CN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679037 1072193274 /nfs/dbraw/zinc/19/32/74/1072193274.db2.gz VVNALSVOCUOLST-USTZCAOPSA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1CN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679037 1072193269 /nfs/dbraw/zinc/19/32/69/1072193269.db2.gz VVNALSVOCUOLST-USTZCAOPSA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679037 1072193265 /nfs/dbraw/zinc/19/32/65/1072193265.db2.gz VVNALSVOCUOLST-USTZCAOPSA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679037 1072193259 /nfs/dbraw/zinc/19/32/59/1072193259.db2.gz VVNALSVOCUOLST-USTZCAOPSA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1CN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679040 1072193241 /nfs/dbraw/zinc/19/32/41/1072193241.db2.gz VVNALSVOCUOLST-XLAORIBOSA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1CN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679040 1072193238 /nfs/dbraw/zinc/19/32/38/1072193238.db2.gz VVNALSVOCUOLST-XLAORIBOSA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@H]1C[C@H](O)CN1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679040 1072193236 /nfs/dbraw/zinc/19/32/36/1072193236.db2.gz VVNALSVOCUOLST-XLAORIBOSA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@H]1C[C@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679040 1072193232 /nfs/dbraw/zinc/19/32/32/1072193232.db2.gz VVNALSVOCUOLST-XLAORIBOSA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679044 1072193462 /nfs/dbraw/zinc/19/34/62/1072193462.db2.gz VVNALSVOCUOLST-XSLAGTTESA-N 1 2 392.452 -0.097 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000276679044 1072193455 /nfs/dbraw/zinc/19/34/55/1072193455.db2.gz VVNALSVOCUOLST-XSLAGTTESA-N 1 2 392.452 -0.097 20 0 GBADLO C[C@H](CNC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)[NH+]1CCOCC1 ZINC000276679632 1072193341 /nfs/dbraw/zinc/19/33/41/1072193341.db2.gz ZQVQWWCQOFVBHE-CABCVRRESA-N 1 2 378.477 -0.231 20 0 GBADLO C[C@@H](CNC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)[NH+]1CCOCC1 ZINC000276679639 1072193541 /nfs/dbraw/zinc/19/35/41/1072193541.db2.gz ZQVQWWCQOFVBHE-GJZGRUSLSA-N 1 2 378.477 -0.231 20 0 GBADLO C[C@H](CNC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)[NH+]1CCOCC1 ZINC000276679643 1072193373 /nfs/dbraw/zinc/19/33/73/1072193373.db2.gz ZQVQWWCQOFVBHE-HUUCEWRRSA-N 1 2 378.477 -0.231 20 0 GBADLO C[C@@H](CNC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)[NH+]1CCOCC1 ZINC000276679649 1072193482 /nfs/dbraw/zinc/19/34/82/1072193482.db2.gz ZQVQWWCQOFVBHE-LSDHHAIUSA-N 1 2 378.477 -0.231 20 0 GBADLO COC(=O)[C@H]1C[C@H](O)CN1CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000276694100 1072198053 /nfs/dbraw/zinc/19/80/53/1072198053.db2.gz XUBAJJSTNBQJHM-FUHWJXTLSA-N 1 2 391.468 -0.052 20 0 GBADLO COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000276694105 1072198240 /nfs/dbraw/zinc/19/82/40/1072198240.db2.gz XUBAJJSTNBQJHM-SJLPKXTDSA-N 1 2 391.468 -0.052 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000276694110 1072198385 /nfs/dbraw/zinc/19/83/85/1072198385.db2.gz XUBAJJSTNBQJHM-WMZOPIPTSA-N 1 2 391.468 -0.052 20 0 GBADLO COC(=O)[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)O ZINC000276773465 1072217414 /nfs/dbraw/zinc/21/74/14/1072217414.db2.gz OTCFUHUGRSXLGX-CXAGYDPISA-N 1 2 378.429 -0.451 20 0 GBADLO COC(=O)[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)O ZINC000276773466 1072217140 /nfs/dbraw/zinc/21/71/40/1072217140.db2.gz OTCFUHUGRSXLGX-DYVFJYSZSA-N 1 2 378.429 -0.451 20 0 GBADLO COC(=O)[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)O ZINC000276773467 1072217156 /nfs/dbraw/zinc/21/71/56/1072217156.db2.gz OTCFUHUGRSXLGX-GUYCJALGSA-N 1 2 378.429 -0.451 20 0 GBADLO COC(=O)[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)O ZINC000276773468 1072216944 /nfs/dbraw/zinc/21/69/44/1072216944.db2.gz OTCFUHUGRSXLGX-SUMWQHHRSA-N 1 2 378.429 -0.451 20 0 GBADLO CO[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1OC ZINC000276816856 1072229679 /nfs/dbraw/zinc/22/96/79/1072229679.db2.gz FFAKIPSMMCUKKA-GASCZTMLSA-N 1 2 381.433 -0.974 20 0 GBADLO COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1)OCO2 ZINC000276843931 1072236843 /nfs/dbraw/zinc/23/68/43/1072236843.db2.gz IDIQQXFKJNFDTG-LLVKDONJSA-N 1 2 393.396 -0.335 20 0 GBADLO COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1)OCO2 ZINC000276843936 1072237010 /nfs/dbraw/zinc/23/70/10/1072237010.db2.gz IDIQQXFKJNFDTG-NSHDSACASA-N 1 2 393.396 -0.335 20 0 GBADLO COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1)OCO2 ZINC000276923955 1072244189 /nfs/dbraw/zinc/24/41/89/1072244189.db2.gz RZBOGQZRWLJFOM-UHFFFAOYSA-N 1 2 379.369 -0.723 20 0 GBADLO Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276925252 1072244294 /nfs/dbraw/zinc/24/42/94/1072244294.db2.gz HXDKNMBSJPDYOR-AWEZNQCLSA-N 1 2 375.429 -0.039 20 0 GBADLO Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276925255 1072244156 /nfs/dbraw/zinc/24/41/56/1072244156.db2.gz HXDKNMBSJPDYOR-CQSZACIVSA-N 1 2 375.429 -0.039 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)c(=O)[nH]c1=O ZINC000276940884 1072247004 /nfs/dbraw/zinc/24/70/04/1072247004.db2.gz NLLWMHMATXTBEU-UHFFFAOYSA-N 1 2 375.385 -0.481 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(=O)[nH]c1=O ZINC000276940884 1072246997 /nfs/dbraw/zinc/24/69/97/1072246997.db2.gz NLLWMHMATXTBEU-UHFFFAOYSA-N 1 2 375.385 -0.481 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)CC1 ZINC000276943779 1072248230 /nfs/dbraw/zinc/24/82/30/1072248230.db2.gz VADSQWPLKPTNOG-UHFFFAOYSA-N 1 2 393.396 -0.069 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)C2COC2)CC1 ZINC000276948855 530240683 /nfs/dbraw/zinc/24/06/83/530240683.db2.gz DKSAIIXPXVUVEN-UHFFFAOYSA-N 1 2 389.499 -0.559 20 0 GBADLO O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000277018001 1072263570 /nfs/dbraw/zinc/26/35/70/1072263570.db2.gz QNSNIWMAXWIQCO-UHFFFAOYSA-N 1 2 398.467 -0.110 20 0 GBADLO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000277030157 1072264095 /nfs/dbraw/zinc/26/40/95/1072264095.db2.gz COBCDDKAHUJLJS-UHFFFAOYSA-N 1 2 394.457 -0.241 20 0 GBADLO Cc1nc(N2CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC2)cc[nH+]1 ZINC000277047595 1072264556 /nfs/dbraw/zinc/26/45/56/1072264556.db2.gz HTLJLARTTPUBCS-UHFFFAOYSA-N 1 2 385.494 -0.551 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000277052050 1072264894 /nfs/dbraw/zinc/26/48/94/1072264894.db2.gz BDIIGLIUIVEXEB-RWMBFGLXSA-N 1 2 382.417 -0.020 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000277052050 1072264883 /nfs/dbraw/zinc/26/48/83/1072264883.db2.gz BDIIGLIUIVEXEB-RWMBFGLXSA-N 1 2 382.417 -0.020 20 0 GBADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1COC1 ZINC000277065567 1072265308 /nfs/dbraw/zinc/26/53/08/1072265308.db2.gz NWHHWSBEFNVLFW-CYBMUJFWSA-N 1 2 383.474 -0.400 20 0 GBADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1COC1 ZINC000277065567 1072265300 /nfs/dbraw/zinc/26/53/00/1072265300.db2.gz NWHHWSBEFNVLFW-CYBMUJFWSA-N 1 2 383.474 -0.400 20 0 GBADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1COC1 ZINC000277065576 1072265588 /nfs/dbraw/zinc/26/55/88/1072265588.db2.gz NWHHWSBEFNVLFW-ZDUSSCGKSA-N 1 2 383.474 -0.400 20 0 GBADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1COC1 ZINC000277065576 1072265579 /nfs/dbraw/zinc/26/55/79/1072265579.db2.gz NWHHWSBEFNVLFW-ZDUSSCGKSA-N 1 2 383.474 -0.400 20 0 GBADLO Cc1cn2cc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)ccc2[nH+]1 ZINC000277183749 1072278868 /nfs/dbraw/zinc/27/88/68/1072278868.db2.gz VDUSXLIBNFGLKX-UHFFFAOYSA-N 1 2 382.446 -0.470 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000277394008 1072301582 /nfs/dbraw/zinc/30/15/82/1072301582.db2.gz AUVNFLZLGALARF-CALCHBBNSA-N 1 2 376.457 -0.673 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)cc2)CC1 ZINC000277394009 1072301095 /nfs/dbraw/zinc/30/10/95/1072301095.db2.gz AUVNFLZLGALARF-IAGOWNOFSA-N 1 2 376.457 -0.673 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)cc2)CC1 ZINC000277394010 1072301083 /nfs/dbraw/zinc/30/10/83/1072301083.db2.gz AUVNFLZLGALARF-IRXDYDNUSA-N 1 2 376.457 -0.673 20 0 GBADLO O=C(NC1CC1)C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000277471398 1072312035 /nfs/dbraw/zinc/31/20/35/1072312035.db2.gz OXJBZSCNUWIPQJ-HNNXBMFYSA-N 1 2 388.472 -0.245 20 0 GBADLO O=C(NC1CC1)C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000277471398 1072312032 /nfs/dbraw/zinc/31/20/32/1072312032.db2.gz OXJBZSCNUWIPQJ-HNNXBMFYSA-N 1 2 388.472 -0.245 20 0 GBADLO O=C(NC1CC1)C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000277471400 1072311630 /nfs/dbraw/zinc/31/16/30/1072311630.db2.gz OXJBZSCNUWIPQJ-OAHLLOKOSA-N 1 2 388.472 -0.245 20 0 GBADLO O=C(NC1CC1)C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000277471400 1072311623 /nfs/dbraw/zinc/31/16/23/1072311623.db2.gz OXJBZSCNUWIPQJ-OAHLLOKOSA-N 1 2 388.472 -0.245 20 0 GBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277578249 530241920 /nfs/dbraw/zinc/24/19/20/530241920.db2.gz BGKXNNIKVSYCHR-UHFFFAOYSA-N 1 2 387.234 -0.308 20 0 GBADLO Cc1cc(S(N)(=O)=O)ccc1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000277677588 530242295 /nfs/dbraw/zinc/24/22/95/530242295.db2.gz ILJICEOMBKCMGN-UHFFFAOYSA-N 1 2 391.515 -0.216 20 0 GBADLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)NCC(=O)N3CCCC3)CC2)n1 ZINC000277712748 1072370255 /nfs/dbraw/zinc/37/02/55/1072370255.db2.gz INAVKRUIZHDHEV-UHFFFAOYSA-N 1 2 392.460 -0.101 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277818719 1072390315 /nfs/dbraw/zinc/39/03/15/1072390315.db2.gz QQERBFYFURGRIX-ZFWWWQNUSA-N 1 2 390.444 -0.023 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277818719 1072390304 /nfs/dbraw/zinc/39/03/04/1072390304.db2.gz QQERBFYFURGRIX-ZFWWWQNUSA-N 1 2 390.444 -0.023 20 0 GBADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000277889190 1072398339 /nfs/dbraw/zinc/39/83/39/1072398339.db2.gz QITTULNXJVCJAZ-AWEZNQCLSA-N 1 2 384.506 -0.615 20 0 GBADLO C[C@H](C(=O)N(C)C)S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000277889193 1072398565 /nfs/dbraw/zinc/39/85/65/1072398565.db2.gz QITTULNXJVCJAZ-CQSZACIVSA-N 1 2 384.506 -0.615 20 0 GBADLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)N3CCN(C(C)=O)CC3)CC2)n1 ZINC000277908003 1072401186 /nfs/dbraw/zinc/40/11/86/1072401186.db2.gz XEIVIGMZVRIAJK-UHFFFAOYSA-N 1 2 392.460 -0.149 20 0 GBADLO O=C(N[C@H](CO)Cc1ccc(O)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000277992991 1072420362 /nfs/dbraw/zinc/42/03/62/1072420362.db2.gz ZLMFAKGSLRQCOF-IRXDYDNUSA-N 1 2 391.468 -0.408 20 0 GBADLO O=C(N[C@H](CO)Cc1ccc(O)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000277992993 1072420387 /nfs/dbraw/zinc/42/03/87/1072420387.db2.gz ZLMFAKGSLRQCOF-SJORKVTESA-N 1 2 391.468 -0.408 20 0 GBADLO Cc1c(Br)cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c(=O)n1C ZINC000278029616 530242239 /nfs/dbraw/zinc/24/22/39/530242239.db2.gz LLXGDLCETUFSHB-LLVKDONJSA-N 1 2 388.262 -0.121 20 0 GBADLO Cc1c(Br)cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c(=O)n1C ZINC000278029623 530242301 /nfs/dbraw/zinc/24/23/01/530242301.db2.gz LLXGDLCETUFSHB-NSHDSACASA-N 1 2 388.262 -0.121 20 0 GBADLO CCOC1CC(CNC(=O)NCCNC(=O)c2ccn[nH]2)([NH+]2CCOCC2)C1 ZINC000278086008 1072434452 /nfs/dbraw/zinc/43/44/52/1072434452.db2.gz XPWWIWBOUNWFKL-UHFFFAOYSA-N 1 2 394.476 -0.291 20 0 GBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000278143667 1072444195 /nfs/dbraw/zinc/44/41/95/1072444195.db2.gz BIJYXVJESQIFHE-CABCVRRESA-N 1 2 383.518 -0.012 20 0 GBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000278143672 1072444229 /nfs/dbraw/zinc/44/42/29/1072444229.db2.gz BIJYXVJESQIFHE-GJZGRUSLSA-N 1 2 383.518 -0.012 20 0 GBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000278143677 1072444047 /nfs/dbraw/zinc/44/40/47/1072444047.db2.gz BIJYXVJESQIFHE-HUUCEWRRSA-N 1 2 383.518 -0.012 20 0 GBADLO C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000278143681 1072443814 /nfs/dbraw/zinc/44/38/14/1072443814.db2.gz BIJYXVJESQIFHE-LSDHHAIUSA-N 1 2 383.518 -0.012 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1)c1ccccc1 ZINC000278311082 1072472613 /nfs/dbraw/zinc/47/26/13/1072472613.db2.gz MPOPVLPCWORGDX-HHXXYDBFSA-N 1 2 393.484 -0.064 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](CO)C[C@H](OCCOC)C1)c1ccccc1 ZINC000278311082 1072472609 /nfs/dbraw/zinc/47/26/09/1072472609.db2.gz MPOPVLPCWORGDX-HHXXYDBFSA-N 1 2 393.484 -0.064 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1)c1ccccc1 ZINC000278311087 1072472481 /nfs/dbraw/zinc/47/24/81/1072472481.db2.gz MPOPVLPCWORGDX-KVSKMBFKSA-N 1 2 393.484 -0.064 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](OCCOC)C[C@H](CO)C1)c1ccccc1 ZINC000278311087 1072472476 /nfs/dbraw/zinc/47/24/76/1072472476.db2.gz MPOPVLPCWORGDX-KVSKMBFKSA-N 1 2 393.484 -0.064 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1)c1ccccc1 ZINC000278311093 1072472667 /nfs/dbraw/zinc/47/26/67/1072472667.db2.gz MPOPVLPCWORGDX-SZVBFZGTSA-N 1 2 393.484 -0.064 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](CO)C[C@@H](OCCOC)C1)c1ccccc1 ZINC000278311093 1072472666 /nfs/dbraw/zinc/47/26/66/1072472666.db2.gz MPOPVLPCWORGDX-SZVBFZGTSA-N 1 2 393.484 -0.064 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1)c1ccccc1 ZINC000278311099 1072472441 /nfs/dbraw/zinc/47/24/41/1072472441.db2.gz MPOPVLPCWORGDX-VDZJLULYSA-N 1 2 393.484 -0.064 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H](CO)C[C@H](OCCOC)C1)c1ccccc1 ZINC000278311099 1072472437 /nfs/dbraw/zinc/47/24/37/1072472437.db2.gz MPOPVLPCWORGDX-VDZJLULYSA-N 1 2 393.484 -0.064 20 0 GBADLO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000278321424 1072475156 /nfs/dbraw/zinc/47/51/56/1072475156.db2.gz YDJIMVSOILTTGE-LLVKDONJSA-N 1 2 381.462 -0.708 20 0 GBADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000278321427 1072475204 /nfs/dbraw/zinc/47/52/04/1072475204.db2.gz YDJIMVSOILTTGE-NSHDSACASA-N 1 2 381.462 -0.708 20 0 GBADLO CCOC1CC(CNC(=O)Cn2nc3ccccn3c2=O)([NH+]2CCOCC2)C1 ZINC000278360158 1072491661 /nfs/dbraw/zinc/49/16/61/1072491661.db2.gz KELVEIKMFJQVSY-UHFFFAOYSA-N 1 2 389.456 -0.118 20 0 GBADLO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCCO1 ZINC000278373517 1072494285 /nfs/dbraw/zinc/49/42/85/1072494285.db2.gz CAIVPKWOUOEJSE-CYBMUJFWSA-N 1 2 392.460 -0.949 20 0 GBADLO C[C@@H]1C[N@H+](CCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCCO1 ZINC000278373517 1072494280 /nfs/dbraw/zinc/49/42/80/1072494280.db2.gz CAIVPKWOUOEJSE-CYBMUJFWSA-N 1 2 392.460 -0.949 20 0 GBADLO C[C@H]1C[N@@H+](CCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCCO1 ZINC000278373519 1072494490 /nfs/dbraw/zinc/49/44/90/1072494490.db2.gz CAIVPKWOUOEJSE-ZDUSSCGKSA-N 1 2 392.460 -0.949 20 0 GBADLO C[C@H]1C[N@H+](CCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCCO1 ZINC000278373519 1072494486 /nfs/dbraw/zinc/49/44/86/1072494486.db2.gz CAIVPKWOUOEJSE-ZDUSSCGKSA-N 1 2 392.460 -0.949 20 0 GBADLO NC(=O)c1ccccc1NCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000278507650 1072516780 /nfs/dbraw/zinc/51/67/80/1072516780.db2.gz AHSUZHKBILRMBR-AWEZNQCLSA-N 1 2 389.456 -0.753 20 0 GBADLO NC(=O)c1ccccc1NCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000278507653 1072516575 /nfs/dbraw/zinc/51/65/75/1072516575.db2.gz AHSUZHKBILRMBR-CQSZACIVSA-N 1 2 389.456 -0.753 20 0 GBADLO NS(=O)(=O)CCN1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000278512835 1072517689 /nfs/dbraw/zinc/51/76/89/1072517689.db2.gz NHDKMKMOVRXJEK-UHFFFAOYSA-N 1 2 383.470 -0.063 20 0 GBADLO CNc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000278519453 1072518652 /nfs/dbraw/zinc/51/86/52/1072518652.db2.gz CIFPXNFKHCBUBN-UHFFFAOYSA-N 1 2 382.490 -0.627 20 0 GBADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CC1 ZINC000278549208 1072521431 /nfs/dbraw/zinc/52/14/31/1072521431.db2.gz PBJNVOUCZVMOIE-UHFFFAOYSA-N 1 2 386.460 -0.038 20 0 GBADLO Cn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000278570855 1072523431 /nfs/dbraw/zinc/52/34/31/1072523431.db2.gz BZYYQQLWBXWYPK-CABCVRRESA-N 1 2 393.492 -0.784 20 0 GBADLO Cn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000278570855 1072523415 /nfs/dbraw/zinc/52/34/15/1072523415.db2.gz BZYYQQLWBXWYPK-CABCVRRESA-N 1 2 393.492 -0.784 20 0 GBADLO Cn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000278570861 1072524062 /nfs/dbraw/zinc/52/40/62/1072524062.db2.gz BZYYQQLWBXWYPK-GJZGRUSLSA-N 1 2 393.492 -0.784 20 0 GBADLO Cn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000278570861 1072524056 /nfs/dbraw/zinc/52/40/56/1072524056.db2.gz BZYYQQLWBXWYPK-GJZGRUSLSA-N 1 2 393.492 -0.784 20 0 GBADLO Cn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000278570865 1072523671 /nfs/dbraw/zinc/52/36/71/1072523671.db2.gz BZYYQQLWBXWYPK-HUUCEWRRSA-N 1 2 393.492 -0.784 20 0 GBADLO Cn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000278570865 1072523666 /nfs/dbraw/zinc/52/36/66/1072523666.db2.gz BZYYQQLWBXWYPK-HUUCEWRRSA-N 1 2 393.492 -0.784 20 0 GBADLO Cn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000278570869 1072523997 /nfs/dbraw/zinc/52/39/97/1072523997.db2.gz BZYYQQLWBXWYPK-LSDHHAIUSA-N 1 2 393.492 -0.784 20 0 GBADLO Cn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000278570869 1072523987 /nfs/dbraw/zinc/52/39/87/1072523987.db2.gz BZYYQQLWBXWYPK-LSDHHAIUSA-N 1 2 393.492 -0.784 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)cc2n[nH]nc21 ZINC000278715727 1072544528 /nfs/dbraw/zinc/54/45/28/1072544528.db2.gz CGGQEQGXUHXOLW-GFCCVEGCSA-N 1 2 376.392 -0.240 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)cc2n[nH]nc21 ZINC000278717727 1072544253 /nfs/dbraw/zinc/54/42/53/1072544253.db2.gz CGGQEQGXUHXOLW-LBPRGKRZSA-N 1 2 376.392 -0.240 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)[C@H](C)C1 ZINC000278758420 1072552419 /nfs/dbraw/zinc/55/24/19/1072552419.db2.gz NHSGYTDDHYGVRK-LLVKDONJSA-N 1 2 377.405 -0.273 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)[C@H](C)C1 ZINC000278758420 1072552412 /nfs/dbraw/zinc/55/24/12/1072552412.db2.gz NHSGYTDDHYGVRK-LLVKDONJSA-N 1 2 377.405 -0.273 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)[C@@H](C)C1 ZINC000278758422 1072552372 /nfs/dbraw/zinc/55/23/72/1072552372.db2.gz NHSGYTDDHYGVRK-NSHDSACASA-N 1 2 377.405 -0.273 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)[C@@H](C)C1 ZINC000278758422 1072552368 /nfs/dbraw/zinc/55/23/68/1072552368.db2.gz NHSGYTDDHYGVRK-NSHDSACASA-N 1 2 377.405 -0.273 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c(=O)n(C)c1=O ZINC000278788457 1072797806 /nfs/dbraw/zinc/79/78/06/1072797806.db2.gz DRMCLYHIPJGAEJ-GOSISDBHSA-N 1 2 377.445 -0.820 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(=O)n(C)c1=O ZINC000278788457 1072797795 /nfs/dbraw/zinc/79/77/95/1072797795.db2.gz DRMCLYHIPJGAEJ-GOSISDBHSA-N 1 2 377.445 -0.820 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c(=O)n(C)c1=O ZINC000278788463 1072798215 /nfs/dbraw/zinc/79/82/15/1072798215.db2.gz DRMCLYHIPJGAEJ-SFHVURJKSA-N 1 2 377.445 -0.820 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(=O)n(C)c1=O ZINC000278788463 1072798204 /nfs/dbraw/zinc/79/82/04/1072798204.db2.gz DRMCLYHIPJGAEJ-SFHVURJKSA-N 1 2 377.445 -0.820 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278816336 1073196445 /nfs/dbraw/zinc/19/64/45/1073196445.db2.gz PKBNVYBVTQBEIY-DAXOMENPSA-N 1 2 399.469 -0.928 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278816339 1073196139 /nfs/dbraw/zinc/19/61/39/1073196139.db2.gz PKBNVYBVTQBEIY-KCXAZCMYSA-N 1 2 399.469 -0.928 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278816344 1073196187 /nfs/dbraw/zinc/19/61/87/1073196187.db2.gz PKBNVYBVTQBEIY-VBNZEHGJSA-N 1 2 399.469 -0.928 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278816344 1073196179 /nfs/dbraw/zinc/19/61/79/1073196179.db2.gz PKBNVYBVTQBEIY-VBNZEHGJSA-N 1 2 399.469 -0.928 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278816348 1073196390 /nfs/dbraw/zinc/19/63/90/1073196390.db2.gz PKBNVYBVTQBEIY-WQVCFCJDSA-N 1 2 399.469 -0.928 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278816348 1073196383 /nfs/dbraw/zinc/19/63/83/1073196383.db2.gz PKBNVYBVTQBEIY-WQVCFCJDSA-N 1 2 399.469 -0.928 20 0 GBADLO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278822158 530243811 /nfs/dbraw/zinc/24/38/11/530243811.db2.gz PUKUDWJZYQJULS-ICCXJUOJSA-N 1 2 391.877 -0.045 20 0 GBADLO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278822167 530243610 /nfs/dbraw/zinc/24/36/10/530243610.db2.gz PUKUDWJZYQJULS-OASPWFOLSA-N 1 2 391.877 -0.045 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278822179 530243632 /nfs/dbraw/zinc/24/36/32/530243632.db2.gz PUKUDWJZYQJULS-TVYUQYBPSA-N 1 2 391.877 -0.045 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278822179 530243630 /nfs/dbraw/zinc/24/36/30/530243630.db2.gz PUKUDWJZYQJULS-TVYUQYBPSA-N 1 2 391.877 -0.045 20 0 GBADLO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278823743 530243650 /nfs/dbraw/zinc/24/36/50/530243650.db2.gz PUKUDWJZYQJULS-WQAKAFBOSA-N 1 2 391.877 -0.045 20 0 GBADLO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278823743 530243648 /nfs/dbraw/zinc/24/36/48/530243648.db2.gz PUKUDWJZYQJULS-WQAKAFBOSA-N 1 2 391.877 -0.045 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278824200 1073254372 /nfs/dbraw/zinc/25/43/72/1073254372.db2.gz PXESKQMGWLHESK-DAXOMENPSA-N 1 2 399.469 -0.928 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278824208 1073255313 /nfs/dbraw/zinc/25/53/13/1073255313.db2.gz PXESKQMGWLHESK-KCXAZCMYSA-N 1 2 399.469 -0.928 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278824214 1073254979 /nfs/dbraw/zinc/25/49/79/1073254979.db2.gz PXESKQMGWLHESK-VBNZEHGJSA-N 1 2 399.469 -0.928 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278824214 1073254970 /nfs/dbraw/zinc/25/49/70/1073254970.db2.gz PXESKQMGWLHESK-VBNZEHGJSA-N 1 2 399.469 -0.928 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278824222 1073255276 /nfs/dbraw/zinc/25/52/76/1073255276.db2.gz PXESKQMGWLHESK-WQVCFCJDSA-N 1 2 399.469 -0.928 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278824222 1073255272 /nfs/dbraw/zinc/25/52/72/1073255272.db2.gz PXESKQMGWLHESK-WQVCFCJDSA-N 1 2 399.469 -0.928 20 0 GBADLO COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278838776 1073363282 /nfs/dbraw/zinc/36/32/82/1073363282.db2.gz QRZQXYHSLZHPMW-HOTGVXAUSA-N 1 2 379.457 -0.246 20 0 GBADLO COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278838781 1073363602 /nfs/dbraw/zinc/36/36/02/1073363602.db2.gz QRZQXYHSLZHPMW-HZPDHXFCSA-N 1 2 379.457 -0.246 20 0 GBADLO COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278838786 1073363695 /nfs/dbraw/zinc/36/36/95/1073363695.db2.gz QRZQXYHSLZHPMW-IYBDPMFKSA-N 1 2 379.457 -0.246 20 0 GBADLO COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278838786 1073363683 /nfs/dbraw/zinc/36/36/83/1073363683.db2.gz QRZQXYHSLZHPMW-IYBDPMFKSA-N 1 2 379.457 -0.246 20 0 GBADLO CCCCN(C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000278844140 1073429499 /nfs/dbraw/zinc/42/94/99/1073429499.db2.gz QZIMRCOJGMOPKK-RYUDHWBXSA-N 1 2 383.449 -0.888 20 0 GBADLO CCCCN(C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000278844144 1073429603 /nfs/dbraw/zinc/42/96/03/1073429603.db2.gz QZIMRCOJGMOPKK-TXEJJXNPSA-N 1 2 383.449 -0.888 20 0 GBADLO CCCCN(C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000278844144 1073429595 /nfs/dbraw/zinc/42/95/95/1073429595.db2.gz QZIMRCOJGMOPKK-TXEJJXNPSA-N 1 2 383.449 -0.888 20 0 GBADLO CCCCN(C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000278844148 1073429529 /nfs/dbraw/zinc/42/95/29/1073429529.db2.gz QZIMRCOJGMOPKK-VXGBXAGGSA-N 1 2 383.449 -0.888 20 0 GBADLO CC(C)CN(C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000278856226 1073543879 /nfs/dbraw/zinc/54/38/79/1073543879.db2.gz RSCAGJYNRIJLSN-BETUJISGSA-N 1 2 397.476 -0.787 20 0 GBADLO CC(C)CN(C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000278856226 1073543866 /nfs/dbraw/zinc/54/38/66/1073543866.db2.gz RSCAGJYNRIJLSN-BETUJISGSA-N 1 2 397.476 -0.787 20 0 GBADLO CC(C)CN(C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000278856236 1073544083 /nfs/dbraw/zinc/54/40/83/1073544083.db2.gz RSCAGJYNRIJLSN-CHWSQXEVSA-N 1 2 397.476 -0.787 20 0 GBADLO CC(C)CN(C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000278856247 1073545271 /nfs/dbraw/zinc/54/52/71/1073545271.db2.gz RSCAGJYNRIJLSN-STQMWFEESA-N 1 2 397.476 -0.787 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@H](C)C1 ZINC000278874548 1073578057 /nfs/dbraw/zinc/57/80/57/1073578057.db2.gz RZRRMIBUMXZKDM-NEPJUHHUSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@H](C)C1 ZINC000278874548 1073578052 /nfs/dbraw/zinc/57/80/52/1073578052.db2.gz RZRRMIBUMXZKDM-NEPJUHHUSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@@H](C)C1 ZINC000278874552 1073577993 /nfs/dbraw/zinc/57/79/93/1073577993.db2.gz RZRRMIBUMXZKDM-NWDGAFQWSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@@H](C)C1 ZINC000278874552 1073577983 /nfs/dbraw/zinc/57/79/83/1073577983.db2.gz RZRRMIBUMXZKDM-NWDGAFQWSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@@H](C)C1 ZINC000278874556 1073578083 /nfs/dbraw/zinc/57/80/83/1073578083.db2.gz RZRRMIBUMXZKDM-RYUDHWBXSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@@H](C)C1 ZINC000278874556 1073578075 /nfs/dbraw/zinc/57/80/75/1073578075.db2.gz RZRRMIBUMXZKDM-RYUDHWBXSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@H](C)C1 ZINC000278874561 1073577914 /nfs/dbraw/zinc/57/79/14/1073577914.db2.gz RZRRMIBUMXZKDM-VXGBXAGGSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@H](C)C1 ZINC000278874561 1073577901 /nfs/dbraw/zinc/57/79/01/1073577901.db2.gz RZRRMIBUMXZKDM-VXGBXAGGSA-N 1 2 381.454 -0.012 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)ccc1Cl ZINC000278885327 530243774 /nfs/dbraw/zinc/24/37/74/530243774.db2.gz UCSHSMOEMKRTTL-RYUDHWBXSA-N 1 2 377.850 -0.434 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)ccc1Cl ZINC000278885334 530243804 /nfs/dbraw/zinc/24/38/04/530243804.db2.gz UCSHSMOEMKRTTL-TXEJJXNPSA-N 1 2 377.850 -0.434 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc1Cl ZINC000278885334 530243803 /nfs/dbraw/zinc/24/38/03/530243803.db2.gz UCSHSMOEMKRTTL-TXEJJXNPSA-N 1 2 377.850 -0.434 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)ccc1Cl ZINC000278885342 530243845 /nfs/dbraw/zinc/24/38/45/530243845.db2.gz UCSHSMOEMKRTTL-VXGBXAGGSA-N 1 2 377.850 -0.434 20 0 GBADLO Cc1cc(CNS(=O)(=O)CCC[NH+]2CCOCC2)ccc1S(N)(=O)=O ZINC000278891892 530243729 /nfs/dbraw/zinc/24/37/29/530243729.db2.gz PRPJIANRFOQNQL-UHFFFAOYSA-N 1 2 391.515 -0.216 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000278892155 530243738 /nfs/dbraw/zinc/24/37/38/530243738.db2.gz UEPLETDGELBOEA-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000278892155 530243737 /nfs/dbraw/zinc/24/37/37/530243737.db2.gz UEPLETDGELBOEA-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000278892158 530243710 /nfs/dbraw/zinc/24/37/10/530243710.db2.gz UEPLETDGELBOEA-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000278892158 530243709 /nfs/dbraw/zinc/24/37/09/530243709.db2.gz UEPLETDGELBOEA-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000278892161 530243748 /nfs/dbraw/zinc/24/37/48/530243748.db2.gz UEPLETDGELBOEA-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000278892161 530243747 /nfs/dbraw/zinc/24/37/47/530243747.db2.gz UEPLETDGELBOEA-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000278892164 530243639 /nfs/dbraw/zinc/24/36/39/530243639.db2.gz UEPLETDGELBOEA-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000278892164 530243637 /nfs/dbraw/zinc/24/36/37/530243637.db2.gz UEPLETDGELBOEA-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO CCCCN(C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000278924799 1073604424 /nfs/dbraw/zinc/60/44/24/1073604424.db2.gz WWNUNUBDESJZOQ-BETUJISGSA-N 1 2 397.476 -0.642 20 0 GBADLO CCCCN(C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000278924799 1073604417 /nfs/dbraw/zinc/60/44/17/1073604417.db2.gz WWNUNUBDESJZOQ-BETUJISGSA-N 1 2 397.476 -0.642 20 0 GBADLO CCCCN(C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000278924806 1073604449 /nfs/dbraw/zinc/60/44/49/1073604449.db2.gz WWNUNUBDESJZOQ-CHWSQXEVSA-N 1 2 397.476 -0.642 20 0 GBADLO CCCCN(C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000278924812 1073604257 /nfs/dbraw/zinc/60/42/57/1073604257.db2.gz WWNUNUBDESJZOQ-STQMWFEESA-N 1 2 397.476 -0.642 20 0 GBADLO Cc1nc(N2CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC2)cc[nH+]1 ZINC000278947585 530243793 /nfs/dbraw/zinc/24/37/93/530243793.db2.gz YWYVDHVSUPGMOM-UHFFFAOYSA-N 1 2 391.519 -0.482 20 0 GBADLO CCc1cncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000278986398 1073628707 /nfs/dbraw/zinc/62/87/07/1073628707.db2.gz KDECHPVGZRZOMC-UHFFFAOYSA-N 1 2 381.502 -0.106 20 0 GBADLO O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000278994026 1073630659 /nfs/dbraw/zinc/63/06/59/1073630659.db2.gz BRSUKXQMMWOXQK-KRWDZBQOSA-N 1 2 389.368 -0.263 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000278994026 1073630653 /nfs/dbraw/zinc/63/06/53/1073630653.db2.gz BRSUKXQMMWOXQK-KRWDZBQOSA-N 1 2 389.368 -0.263 20 0 GBADLO O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000278994027 1073630900 /nfs/dbraw/zinc/63/09/00/1073630900.db2.gz BRSUKXQMMWOXQK-QGZVFWFLSA-N 1 2 389.368 -0.263 20 0 GBADLO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000278994027 1073630894 /nfs/dbraw/zinc/63/08/94/1073630894.db2.gz BRSUKXQMMWOXQK-QGZVFWFLSA-N 1 2 389.368 -0.263 20 0 GBADLO O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCCOc1ccc2c(c1)OCO2 ZINC000279003585 1073632386 /nfs/dbraw/zinc/63/23/86/1073632386.db2.gz DBQWAHAEXKDERJ-GOSISDBHSA-N 1 2 390.396 -0.416 20 0 GBADLO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCCOc1ccc2c(c1)OCO2 ZINC000279003585 1073632382 /nfs/dbraw/zinc/63/23/82/1073632382.db2.gz DBQWAHAEXKDERJ-GOSISDBHSA-N 1 2 390.396 -0.416 20 0 GBADLO O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCCOc1ccc2c(c1)OCO2 ZINC000279003590 1073632450 /nfs/dbraw/zinc/63/24/50/1073632450.db2.gz DBQWAHAEXKDERJ-SFHVURJKSA-N 1 2 390.396 -0.416 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCCOc1ccc2c(c1)OCO2 ZINC000279003590 1073632448 /nfs/dbraw/zinc/63/24/48/1073632448.db2.gz DBQWAHAEXKDERJ-SFHVURJKSA-N 1 2 390.396 -0.416 20 0 GBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)CC1 ZINC000279021289 1073633503 /nfs/dbraw/zinc/63/35/03/1073633503.db2.gz IPRNYJUDYVTYTQ-LLVKDONJSA-N 1 2 377.405 -0.273 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)CC1 ZINC000279021293 1073633627 /nfs/dbraw/zinc/63/36/27/1073633627.db2.gz IPRNYJUDYVTYTQ-NSHDSACASA-N 1 2 377.405 -0.273 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C[C@H](C)O1 ZINC000279068051 1073640334 /nfs/dbraw/zinc/64/03/34/1073640334.db2.gz DVZJTAPMYWEEED-BETUJISGSA-N 1 2 389.456 -0.187 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C[C@H](C)O1 ZINC000279068051 1073640331 /nfs/dbraw/zinc/64/03/31/1073640331.db2.gz DVZJTAPMYWEEED-BETUJISGSA-N 1 2 389.456 -0.187 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@H](N4CCCS4(=O)=O)C3)nc[nH+]2)CC1=O ZINC000279090021 1073644163 /nfs/dbraw/zinc/64/41/63/1073644163.db2.gz NIIJANPUFVVKKQ-AWEZNQCLSA-N 1 2 394.501 -0.241 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@H](N4CCCS4(=O)=O)C3)[nH+]cn2)CC1=O ZINC000279090021 1073644156 /nfs/dbraw/zinc/64/41/56/1073644156.db2.gz NIIJANPUFVVKKQ-AWEZNQCLSA-N 1 2 394.501 -0.241 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@@H](N4CCCS4(=O)=O)C3)nc[nH+]2)CC1=O ZINC000279090023 1073644586 /nfs/dbraw/zinc/64/45/86/1073644586.db2.gz NIIJANPUFVVKKQ-CQSZACIVSA-N 1 2 394.501 -0.241 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@@H](N4CCCS4(=O)=O)C3)[nH+]cn2)CC1=O ZINC000279090023 1073644584 /nfs/dbraw/zinc/64/45/84/1073644584.db2.gz NIIJANPUFVVKKQ-CQSZACIVSA-N 1 2 394.501 -0.241 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(=O)N(CC3CC3)C2)CC1 ZINC000279159168 1073648695 /nfs/dbraw/zinc/64/86/95/1073648695.db2.gz ZQAIKFKJUMNERU-UHFFFAOYSA-N 1 2 398.471 -0.476 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(=O)N(C3CC3)C2)CC1 ZINC000279182622 1073649776 /nfs/dbraw/zinc/64/97/76/1073649776.db2.gz SDKSGWQOJWXQIX-UHFFFAOYSA-N 1 2 384.444 -0.724 20 0 GBADLO CC(=O)Nc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000279204336 1073651521 /nfs/dbraw/zinc/65/15/21/1073651521.db2.gz VYBXGTVZROUGOL-INIZCTEOSA-N 1 2 389.456 -0.163 20 0 GBADLO CC(=O)Nc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000279204338 1073651818 /nfs/dbraw/zinc/65/18/18/1073651818.db2.gz VYBXGTVZROUGOL-MRXNPFEDSA-N 1 2 389.456 -0.163 20 0 GBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000279285607 1073655520 /nfs/dbraw/zinc/65/55/20/1073655520.db2.gz KYQOEKYDHXHCQH-CYBMUJFWSA-N 1 2 388.490 -0.268 20 0 GBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000279285614 1073655445 /nfs/dbraw/zinc/65/54/45/1073655445.db2.gz KYQOEKYDHXHCQH-ZDUSSCGKSA-N 1 2 388.490 -0.268 20 0 GBADLO CC(=O)OCCCS(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000279289129 1073656723 /nfs/dbraw/zinc/65/67/23/1073656723.db2.gz PDYFBKVXDAQVCZ-UHFFFAOYSA-N 1 2 385.490 -0.139 20 0 GBADLO Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n1C ZINC000279315837 1073663659 /nfs/dbraw/zinc/66/36/59/1073663659.db2.gz OCBHIRFICILVEB-INIZCTEOSA-N 1 2 376.457 -0.509 20 0 GBADLO Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n1C ZINC000279315840 1073663799 /nfs/dbraw/zinc/66/37/99/1073663799.db2.gz OCBHIRFICILVEB-MRXNPFEDSA-N 1 2 376.457 -0.509 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000279316894 1073663672 /nfs/dbraw/zinc/66/36/72/1073663672.db2.gz ODTVATTYYUJIPJ-BETUJISGSA-N 1 2 389.456 -0.187 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000279316894 1073663667 /nfs/dbraw/zinc/66/36/67/1073663667.db2.gz ODTVATTYYUJIPJ-BETUJISGSA-N 1 2 389.456 -0.187 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000279330037 1073664565 /nfs/dbraw/zinc/66/45/65/1073664565.db2.gz PGLUGKDUCURDOH-GFCCVEGCSA-N 1 2 375.429 -0.575 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000279330039 1073665059 /nfs/dbraw/zinc/66/50/59/1073665059.db2.gz PGLUGKDUCURDOH-LBPRGKRZSA-N 1 2 375.429 -0.575 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@H](C)O1 ZINC000279338867 1073666111 /nfs/dbraw/zinc/66/61/11/1073666111.db2.gz BSTGNSWGYBFQFO-BETUJISGSA-N 1 2 398.485 -0.009 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@H](C)O1 ZINC000279338867 1073666106 /nfs/dbraw/zinc/66/61/06/1073666106.db2.gz BSTGNSWGYBFQFO-BETUJISGSA-N 1 2 398.485 -0.009 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000279357097 530244160 /nfs/dbraw/zinc/24/41/60/530244160.db2.gz RLRFMILAVMOPDO-JTQLQIEISA-N 1 2 389.250 -0.110 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000279357100 530244075 /nfs/dbraw/zinc/24/40/75/530244075.db2.gz RLRFMILAVMOPDO-SNVBAGLBSA-N 1 2 389.250 -0.110 20 0 GBADLO Cc1cc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000279360824 1073667011 /nfs/dbraw/zinc/66/70/11/1073667011.db2.gz RSBUEZJWUPZGPR-CYBMUJFWSA-N 1 2 389.456 -0.267 20 0 GBADLO Cc1cc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000279360828 1073666973 /nfs/dbraw/zinc/66/69/73/1073666973.db2.gz RSBUEZJWUPZGPR-ZDUSSCGKSA-N 1 2 389.456 -0.267 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000279384780 1073667817 /nfs/dbraw/zinc/66/78/17/1073667817.db2.gz GKHFIIDIWPNTJO-UHFFFAOYSA-N 1 2 398.485 -0.158 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000279384780 1073667814 /nfs/dbraw/zinc/66/78/14/1073667814.db2.gz GKHFIIDIWPNTJO-UHFFFAOYSA-N 1 2 398.485 -0.158 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000279392698 1073667760 /nfs/dbraw/zinc/66/77/60/1073667760.db2.gz GZBVCVFNHNEMCI-UHFFFAOYSA-N 1 2 390.444 -0.808 20 0 GBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC000279403708 1073668741 /nfs/dbraw/zinc/66/87/41/1073668741.db2.gz HUMXZPPCFRIACT-UHFFFAOYSA-N 1 2 394.476 -0.521 20 0 GBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000279403708 1073668738 /nfs/dbraw/zinc/66/87/38/1073668738.db2.gz HUMXZPPCFRIACT-UHFFFAOYSA-N 1 2 394.476 -0.521 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000279410881 1073668780 /nfs/dbraw/zinc/66/87/80/1073668780.db2.gz IJQJGYBKAASCDV-UHFFFAOYSA-N 1 2 398.485 -0.007 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000279410881 1073668777 /nfs/dbraw/zinc/66/87/77/1073668777.db2.gz IJQJGYBKAASCDV-UHFFFAOYSA-N 1 2 398.485 -0.007 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000279416529 1073668758 /nfs/dbraw/zinc/66/87/58/1073668758.db2.gz XOURDBSZMPBAAQ-UHFFFAOYSA-N 1 2 389.456 -0.185 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000279416529 1073668756 /nfs/dbraw/zinc/66/87/56/1073668756.db2.gz XOURDBSZMPBAAQ-UHFFFAOYSA-N 1 2 389.456 -0.185 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000279416601 1073668570 /nfs/dbraw/zinc/66/85/70/1073668570.db2.gz XQYWRNFIUWBNSW-CYBMUJFWSA-N 1 2 392.460 -0.997 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000279416602 1073668721 /nfs/dbraw/zinc/66/87/21/1073668721.db2.gz XQYWRNFIUWBNSW-ZDUSSCGKSA-N 1 2 392.460 -0.997 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000279438527 1073669870 /nfs/dbraw/zinc/66/98/70/1073669870.db2.gz ZOUNMYIYWIYSNB-GFCCVEGCSA-N 1 2 375.429 -0.575 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000279438528 1073670025 /nfs/dbraw/zinc/67/00/25/1073670025.db2.gz ZOUNMYIYWIYSNB-LBPRGKRZSA-N 1 2 375.429 -0.575 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000279466441 1073671182 /nfs/dbraw/zinc/67/11/82/1073671182.db2.gz MRLKEYGEYCKXHV-BETUJISGSA-N 1 2 398.485 -0.160 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000279466441 1073671179 /nfs/dbraw/zinc/67/11/79/1073671179.db2.gz MRLKEYGEYCKXHV-BETUJISGSA-N 1 2 398.485 -0.160 20 0 GBADLO COc1ncc(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(N)=O ZINC000279472597 1073671010 /nfs/dbraw/zinc/67/10/10/1073671010.db2.gz NDLQIKIRLLQADL-TXEJJXNPSA-N 1 2 393.444 -0.305 20 0 GBADLO COc1ncc(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(N)=O ZINC000279472597 1073670999 /nfs/dbraw/zinc/67/09/99/1073670999.db2.gz NDLQIKIRLLQADL-TXEJJXNPSA-N 1 2 393.444 -0.305 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000279478135 1073672207 /nfs/dbraw/zinc/67/22/07/1073672207.db2.gz NQFYFTHTKNJBQE-UHFFFAOYSA-N 1 2 398.485 -0.158 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000279478135 1073672205 /nfs/dbraw/zinc/67/22/05/1073672205.db2.gz NQFYFTHTKNJBQE-UHFFFAOYSA-N 1 2 398.485 -0.158 20 0 GBADLO Cn1cc([C@H]2[C@H](C(=O)NCC[N@H+]3CCOC(C)(C)C3)OCC(=O)N2C)cn1 ZINC000279484572 1073671201 /nfs/dbraw/zinc/67/12/01/1073671201.db2.gz IQPIVUSBSOQCHI-JKSUJKDBSA-N 1 2 379.461 -0.455 20 0 GBADLO Cn1cc([C@H]2[C@H](C(=O)NCC[N@@H+]3CCOC(C)(C)C3)OCC(=O)N2C)cn1 ZINC000279484572 1073671194 /nfs/dbraw/zinc/67/11/94/1073671194.db2.gz IQPIVUSBSOQCHI-JKSUJKDBSA-N 1 2 379.461 -0.455 20 0 GBADLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000279550050 530244175 /nfs/dbraw/zinc/24/41/75/530244175.db2.gz JWNAQXBBQMVFAZ-RYUDHWBXSA-N 1 2 375.470 -0.224 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000279562645 1073675567 /nfs/dbraw/zinc/67/55/67/1073675567.db2.gz VGVJHXWEWAYJGN-BETUJISGSA-N 1 2 398.485 -0.160 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000279562645 1073675560 /nfs/dbraw/zinc/67/55/60/1073675560.db2.gz VGVJHXWEWAYJGN-BETUJISGSA-N 1 2 398.485 -0.160 20 0 GBADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)CN(C)S(C)(=O)=O ZINC000279594775 530244104 /nfs/dbraw/zinc/24/41/04/530244104.db2.gz MTUVCVVUIVCCTR-KBPBESRZSA-N 1 2 375.470 -0.318 20 0 GBADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)CN(C)S(C)(=O)=O ZINC000279594775 530244103 /nfs/dbraw/zinc/24/41/03/530244103.db2.gz MTUVCVVUIVCCTR-KBPBESRZSA-N 1 2 375.470 -0.318 20 0 GBADLO COc1ncc(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1C(N)=O ZINC000279611310 1073677506 /nfs/dbraw/zinc/67/75/06/1073677506.db2.gz ZHPAWWAOABAXRI-UHFFFAOYSA-N 1 2 393.444 -0.303 20 0 GBADLO COc1ncc(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1C(N)=O ZINC000279611310 1073677500 /nfs/dbraw/zinc/67/75/00/1073677500.db2.gz ZHPAWWAOABAXRI-UHFFFAOYSA-N 1 2 393.444 -0.303 20 0 GBADLO COCCn1c(N)c(C(=O)CN(C)CC[N@H+]2CCOC(C)(C)C2)c(=O)[nH]c1=O ZINC000279684324 1073684265 /nfs/dbraw/zinc/68/42/65/1073684265.db2.gz GWVQSXPXBYJTGU-UHFFFAOYSA-N 1 2 397.476 -0.597 20 0 GBADLO COCCn1c(N)c(C(=O)CN(C)CC[N@@H+]2CCOC(C)(C)C2)c(=O)[nH]c1=O ZINC000279684324 1073684257 /nfs/dbraw/zinc/68/42/57/1073684257.db2.gz GWVQSXPXBYJTGU-UHFFFAOYSA-N 1 2 397.476 -0.597 20 0 GBADLO Cn1cc([C@H]2[C@H](C(=O)NCC(C)(C)[NH+]3CCOCC3)OCC(=O)N2C)cn1 ZINC000279693733 1073684030 /nfs/dbraw/zinc/68/40/30/1073684030.db2.gz IGSLMADDXFDSOJ-JKSUJKDBSA-N 1 2 379.461 -0.455 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000279736859 530244054 /nfs/dbraw/zinc/24/40/54/530244054.db2.gz YXOCTZFLRRWPNR-UBHSHLNASA-N 1 2 375.470 -0.271 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000279736859 530244051 /nfs/dbraw/zinc/24/40/51/530244051.db2.gz YXOCTZFLRRWPNR-UBHSHLNASA-N 1 2 375.470 -0.271 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000279736862 530244315 /nfs/dbraw/zinc/24/43/15/530244315.db2.gz YXOCTZFLRRWPNR-XBFCOCLRSA-N 1 2 375.470 -0.271 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000279736862 530244314 /nfs/dbraw/zinc/24/43/14/530244314.db2.gz YXOCTZFLRRWPNR-XBFCOCLRSA-N 1 2 375.470 -0.271 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+](C)[C@H](C)CN2CCOCC2)c(=O)[nH]c1=O ZINC000279764277 1073693629 /nfs/dbraw/zinc/69/36/29/1073693629.db2.gz RVPWPMVPYZDYHS-GFCCVEGCSA-N 1 2 383.449 -0.987 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+](C)[C@H](C)CN2CCOCC2)c(=O)[nH]c1=O ZINC000279764277 1073693622 /nfs/dbraw/zinc/69/36/22/1073693622.db2.gz RVPWPMVPYZDYHS-GFCCVEGCSA-N 1 2 383.449 -0.987 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+](C)[C@@H](C)CN2CCOCC2)c(=O)[nH]c1=O ZINC000279764281 1073693711 /nfs/dbraw/zinc/69/37/11/1073693711.db2.gz RVPWPMVPYZDYHS-LBPRGKRZSA-N 1 2 383.449 -0.987 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+](C)[C@@H](C)CN2CCOCC2)c(=O)[nH]c1=O ZINC000279764281 1073693705 /nfs/dbraw/zinc/69/37/05/1073693705.db2.gz RVPWPMVPYZDYHS-LBPRGKRZSA-N 1 2 383.449 -0.987 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000279766797 1073693525 /nfs/dbraw/zinc/69/35/25/1073693525.db2.gz SFQUGVZNQDQFBB-FRRDWIJNSA-N 1 2 381.477 -0.722 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000279766797 1073693521 /nfs/dbraw/zinc/69/35/21/1073693521.db2.gz SFQUGVZNQDQFBB-FRRDWIJNSA-N 1 2 381.477 -0.722 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279766797 1073693517 /nfs/dbraw/zinc/69/35/17/1073693517.db2.gz SFQUGVZNQDQFBB-FRRDWIJNSA-N 1 2 381.477 -0.722 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279766797 1073693510 /nfs/dbraw/zinc/69/35/10/1073693510.db2.gz SFQUGVZNQDQFBB-FRRDWIJNSA-N 1 2 381.477 -0.722 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000279766800 1073693544 /nfs/dbraw/zinc/69/35/44/1073693544.db2.gz SFQUGVZNQDQFBB-XQQFMLRXSA-N 1 2 381.477 -0.722 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000279766800 1073693540 /nfs/dbraw/zinc/69/35/40/1073693540.db2.gz SFQUGVZNQDQFBB-XQQFMLRXSA-N 1 2 381.477 -0.722 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279766800 1073693538 /nfs/dbraw/zinc/69/35/38/1073693538.db2.gz SFQUGVZNQDQFBB-XQQFMLRXSA-N 1 2 381.477 -0.722 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279766800 1073693537 /nfs/dbraw/zinc/69/35/37/1073693537.db2.gz SFQUGVZNQDQFBB-XQQFMLRXSA-N 1 2 381.477 -0.722 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000279770165 1073693691 /nfs/dbraw/zinc/69/36/91/1073693691.db2.gz SSEUVCGHVJQRDO-GFCCVEGCSA-N 1 2 381.477 -0.720 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000279770165 1073693679 /nfs/dbraw/zinc/69/36/79/1073693679.db2.gz SSEUVCGHVJQRDO-GFCCVEGCSA-N 1 2 381.477 -0.720 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279770165 1073693664 /nfs/dbraw/zinc/69/36/64/1073693664.db2.gz SSEUVCGHVJQRDO-GFCCVEGCSA-N 1 2 381.477 -0.720 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279770165 1073693647 /nfs/dbraw/zinc/69/36/47/1073693647.db2.gz SSEUVCGHVJQRDO-GFCCVEGCSA-N 1 2 381.477 -0.720 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000279770170 1073694216 /nfs/dbraw/zinc/69/42/16/1073694216.db2.gz SSEUVCGHVJQRDO-LBPRGKRZSA-N 1 2 381.477 -0.720 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000279770170 1073694210 /nfs/dbraw/zinc/69/42/10/1073694210.db2.gz SSEUVCGHVJQRDO-LBPRGKRZSA-N 1 2 381.477 -0.720 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279770170 1073694206 /nfs/dbraw/zinc/69/42/06/1073694206.db2.gz SSEUVCGHVJQRDO-LBPRGKRZSA-N 1 2 381.477 -0.720 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279770170 1073694200 /nfs/dbraw/zinc/69/42/00/1073694200.db2.gz SSEUVCGHVJQRDO-LBPRGKRZSA-N 1 2 381.477 -0.720 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)[C@@H](C)CN2CCOCC2)c(=O)n(C)c1=O ZINC000279783239 1073695208 /nfs/dbraw/zinc/69/52/08/1073695208.db2.gz UQJUIZNYBSHSQU-AWEZNQCLSA-N 1 2 395.504 -0.380 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+](C)[C@@H](C)CN2CCOCC2)c(=O)n(C)c1=O ZINC000279783239 1073695203 /nfs/dbraw/zinc/69/52/03/1073695203.db2.gz UQJUIZNYBSHSQU-AWEZNQCLSA-N 1 2 395.504 -0.380 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)[C@H](C)CN2CCOCC2)c(=O)n(C)c1=O ZINC000279783241 1073695889 /nfs/dbraw/zinc/69/58/89/1073695889.db2.gz UQJUIZNYBSHSQU-CQSZACIVSA-N 1 2 395.504 -0.380 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+](C)[C@H](C)CN2CCOCC2)c(=O)n(C)c1=O ZINC000279783241 1073695883 /nfs/dbraw/zinc/69/58/83/1073695883.db2.gz UQJUIZNYBSHSQU-CQSZACIVSA-N 1 2 395.504 -0.380 20 0 GBADLO COCCn1c(N)c(C(=O)CN(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]c1=O ZINC000279785097 1073695431 /nfs/dbraw/zinc/69/54/31/1073695431.db2.gz UVFYEFFGUQVSMF-BETUJISGSA-N 1 2 397.476 -0.599 20 0 GBADLO COCCn1c(N)c(C(=O)CN(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]c1=O ZINC000279785097 1073695423 /nfs/dbraw/zinc/69/54/23/1073695423.db2.gz UVFYEFFGUQVSMF-BETUJISGSA-N 1 2 397.476 -0.599 20 0 GBADLO O=S(=O)(c1ccc(OCC[NH+]2CCN(CCO)CC2)cc1)N1CCOCC1 ZINC000279835647 1073696593 /nfs/dbraw/zinc/69/65/93/1073696593.db2.gz GDIJORUSXFPOAI-UHFFFAOYSA-N 1 2 399.513 -0.304 20 0 GBADLO CC(C)(CNC(=O)CN1C(=O)c2cccnc2S1(=O)=O)[NH+]1CCOCC1 ZINC000279955968 1073819143 /nfs/dbraw/zinc/81/91/43/1073819143.db2.gz NMFWXHAWIZESBP-UHFFFAOYSA-N 1 2 382.442 -0.547 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(CCCO)Cc1ccccn1 ZINC000279960507 1073894460 /nfs/dbraw/zinc/89/44/60/1073894460.db2.gz HCIVAQOUERINAB-KRWDZBQOSA-N 1 2 390.484 -0.027 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(CCCO)Cc1ccccn1 ZINC000279960511 1073894394 /nfs/dbraw/zinc/89/43/94/1073894394.db2.gz HCIVAQOUERINAB-QGZVFWFLSA-N 1 2 390.484 -0.027 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)O1 ZINC000280046437 1073984452 /nfs/dbraw/zinc/98/44/52/1073984452.db2.gz HEJABWSTNPJYOG-BHYGNILZSA-N 1 2 377.441 -0.397 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)O1 ZINC000280046438 1073984245 /nfs/dbraw/zinc/98/42/45/1073984245.db2.gz HEJABWSTNPJYOG-HYVNUMGLSA-N 1 2 377.441 -0.397 20 0 GBADLO NC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)O1 ZINC000280046439 1073984082 /nfs/dbraw/zinc/98/40/82/1073984082.db2.gz HEJABWSTNPJYOG-PVAVHDDUSA-N 1 2 377.441 -0.397 20 0 GBADLO NC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)O1 ZINC000280046440 1073984476 /nfs/dbraw/zinc/98/44/76/1073984476.db2.gz HEJABWSTNPJYOG-XIRDDKMYSA-N 1 2 377.441 -0.397 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2(S(C)(=O)=O)CCC2)CC1 ZINC000280055462 1073984198 /nfs/dbraw/zinc/98/41/98/1073984198.db2.gz WMGAAKWYQBFUFR-UHFFFAOYSA-N 1 2 378.458 -0.021 20 0 GBADLO O=C(CN1CCOCC1=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000280120473 1073985128 /nfs/dbraw/zinc/98/51/28/1073985128.db2.gz LARWWEWZZMCKDL-UHFFFAOYSA-N 1 2 377.441 -0.127 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000280201295 1073987086 /nfs/dbraw/zinc/98/70/86/1073987086.db2.gz DYYVLLIIGFUZJC-ZWKOTPCHSA-N 1 2 393.488 -0.112 20 0 GBADLO Cc1nc(N2CCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)CC2)cc[nH+]1 ZINC000280216047 1073986933 /nfs/dbraw/zinc/98/69/33/1073986933.db2.gz GIJYDAJUIKXCQD-ZWKOTPCHSA-N 1 2 399.455 -0.234 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)c(C)c1 ZINC000280216053 1073987230 /nfs/dbraw/zinc/98/72/30/1073987230.db2.gz ATKKOXBETYUWQO-UHFFFAOYSA-N 1 2 392.456 -0.151 20 0 GBADLO Cn1cc(C(=O)CCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000280251371 1073988251 /nfs/dbraw/zinc/98/82/51/1073988251.db2.gz UKIHBVJVSGZXPQ-HNNXBMFYSA-N 1 2 377.445 -0.568 20 0 GBADLO Cn1cc(C(=O)CCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000280251375 1073987744 /nfs/dbraw/zinc/98/77/44/1073987744.db2.gz UKIHBVJVSGZXPQ-OAHLLOKOSA-N 1 2 377.445 -0.568 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H](CO)CC1CCC1 ZINC000280311932 1073988653 /nfs/dbraw/zinc/98/86/53/1073988653.db2.gz BOCVKAQCESLFSQ-HNNXBMFYSA-N 1 2 379.461 -0.179 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H](CO)CC1CCC1 ZINC000280311936 1073989112 /nfs/dbraw/zinc/98/91/12/1073989112.db2.gz BOCVKAQCESLFSQ-OAHLLOKOSA-N 1 2 379.461 -0.179 20 0 GBADLO C[C@H]1C[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@]2(CCOC2)O1 ZINC000280342383 1073989809 /nfs/dbraw/zinc/98/98/09/1073989809.db2.gz IMIIQACKZDNFDE-KBXCAEBGSA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@]2(CCOC2)O1 ZINC000280342383 1073989800 /nfs/dbraw/zinc/98/98/00/1073989800.db2.gz IMIIQACKZDNFDE-KBXCAEBGSA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@]2(CCOC2)O1 ZINC000280342384 1073990001 /nfs/dbraw/zinc/99/00/01/1073990001.db2.gz IMIIQACKZDNFDE-KDOFPFPSSA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@]2(CCOC2)O1 ZINC000280342384 1073989996 /nfs/dbraw/zinc/98/99/96/1073989996.db2.gz IMIIQACKZDNFDE-KDOFPFPSSA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@H]1C[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@]2(CCOC2)O1 ZINC000280342386 1073989922 /nfs/dbraw/zinc/98/99/22/1073989922.db2.gz IMIIQACKZDNFDE-KSSFIOAISA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@]2(CCOC2)O1 ZINC000280342386 1073989915 /nfs/dbraw/zinc/98/99/15/1073989915.db2.gz IMIIQACKZDNFDE-KSSFIOAISA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@]2(CCOC2)O1 ZINC000280342387 1073989620 /nfs/dbraw/zinc/98/96/20/1073989620.db2.gz IMIIQACKZDNFDE-RDTXWAMCSA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@]2(CCOC2)O1 ZINC000280342387 1073989614 /nfs/dbraw/zinc/98/96/14/1073989614.db2.gz IMIIQACKZDNFDE-RDTXWAMCSA-N 1 2 397.497 -0.128 20 0 GBADLO COC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000280370437 1073990634 /nfs/dbraw/zinc/99/06/34/1073990634.db2.gz SPMQXJHEYWSIFO-CABCVRRESA-N 1 2 394.476 -0.412 20 0 GBADLO COC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000280370437 1073990631 /nfs/dbraw/zinc/99/06/31/1073990631.db2.gz SPMQXJHEYWSIFO-CABCVRRESA-N 1 2 394.476 -0.412 20 0 GBADLO COC[C@H](CO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000280370439 1073990676 /nfs/dbraw/zinc/99/06/76/1073990676.db2.gz SPMQXJHEYWSIFO-GJZGRUSLSA-N 1 2 394.476 -0.412 20 0 GBADLO COC[C@H](CO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000280370439 1073990670 /nfs/dbraw/zinc/99/06/70/1073990670.db2.gz SPMQXJHEYWSIFO-GJZGRUSLSA-N 1 2 394.476 -0.412 20 0 GBADLO COC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000280370441 1073990573 /nfs/dbraw/zinc/99/05/73/1073990573.db2.gz SPMQXJHEYWSIFO-HUUCEWRRSA-N 1 2 394.476 -0.412 20 0 GBADLO COC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000280370441 1073990566 /nfs/dbraw/zinc/99/05/66/1073990566.db2.gz SPMQXJHEYWSIFO-HUUCEWRRSA-N 1 2 394.476 -0.412 20 0 GBADLO COC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000280370443 1073990728 /nfs/dbraw/zinc/99/07/28/1073990728.db2.gz SPMQXJHEYWSIFO-LSDHHAIUSA-N 1 2 394.476 -0.412 20 0 GBADLO COC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000280370443 1073990719 /nfs/dbraw/zinc/99/07/19/1073990719.db2.gz SPMQXJHEYWSIFO-LSDHHAIUSA-N 1 2 394.476 -0.412 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](CO)COC)cc2)CC1 ZINC000280380958 1073991728 /nfs/dbraw/zinc/99/17/28/1073991728.db2.gz HRWPRDFNPJEHBT-KRWDZBQOSA-N 1 2 378.473 -0.114 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](CO)COC)cc2)CC1 ZINC000280380961 1073991375 /nfs/dbraw/zinc/99/13/75/1073991375.db2.gz HRWPRDFNPJEHBT-QGZVFWFLSA-N 1 2 378.473 -0.114 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)NCC(F)F)c2)CC1 ZINC000280475240 1072155184 /nfs/dbraw/zinc/15/51/84/1072155184.db2.gz ZFOSULCUMSOHCW-UHFFFAOYSA-N 1 2 397.426 -0.130 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000280537366 1072157007 /nfs/dbraw/zinc/15/70/07/1072157007.db2.gz UXTIFJUSGWVQGL-GOSISDBHSA-N 1 2 375.429 -0.111 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000280537368 1072156860 /nfs/dbraw/zinc/15/68/60/1072156860.db2.gz UXTIFJUSGWVQGL-SFHVURJKSA-N 1 2 375.429 -0.111 20 0 GBADLO C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000280548812 1072157119 /nfs/dbraw/zinc/15/71/19/1072157119.db2.gz ZZOMSBWOQOTFNR-HUHSQHJXSA-N 1 2 391.472 -0.503 20 0 GBADLO C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000280548816 1072157125 /nfs/dbraw/zinc/15/71/25/1072157125.db2.gz ZZOMSBWOQOTFNR-LFVTVUPYSA-N 1 2 391.472 -0.503 20 0 GBADLO C[C@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000280548820 1072156827 /nfs/dbraw/zinc/15/68/27/1072156827.db2.gz ZZOMSBWOQOTFNR-QXRTWZOPSA-N 1 2 391.472 -0.503 20 0 GBADLO C[C@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000280548824 1072156874 /nfs/dbraw/zinc/15/68/74/1072156874.db2.gz ZZOMSBWOQOTFNR-UNQWWWNPSA-N 1 2 391.472 -0.503 20 0 GBADLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000280595221 1072157940 /nfs/dbraw/zinc/15/79/40/1072157940.db2.gz WUWJWFXUMQLNNQ-KBXCAEBGSA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000280595221 1072157937 /nfs/dbraw/zinc/15/79/37/1072157937.db2.gz WUWJWFXUMQLNNQ-KBXCAEBGSA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000280595224 1072157572 /nfs/dbraw/zinc/15/75/72/1072157572.db2.gz WUWJWFXUMQLNNQ-KDOFPFPSSA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000280595224 1072157566 /nfs/dbraw/zinc/15/75/66/1072157566.db2.gz WUWJWFXUMQLNNQ-KDOFPFPSSA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000280595227 1072157958 /nfs/dbraw/zinc/15/79/58/1072157958.db2.gz WUWJWFXUMQLNNQ-KSSFIOAISA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000280595227 1072157955 /nfs/dbraw/zinc/15/79/55/1072157955.db2.gz WUWJWFXUMQLNNQ-KSSFIOAISA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000280595231 1072157510 /nfs/dbraw/zinc/15/75/10/1072157510.db2.gz WUWJWFXUMQLNNQ-RDTXWAMCSA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000280595231 1072157501 /nfs/dbraw/zinc/15/75/01/1072157501.db2.gz WUWJWFXUMQLNNQ-RDTXWAMCSA-N 1 2 397.497 -0.128 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280698048 1072160506 /nfs/dbraw/zinc/16/05/06/1072160506.db2.gz AGGOGTJGVAQLRW-GXTWGEPZSA-N 1 2 387.440 -0.077 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280698048 1072160502 /nfs/dbraw/zinc/16/05/02/1072160502.db2.gz AGGOGTJGVAQLRW-GXTWGEPZSA-N 1 2 387.440 -0.077 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280698052 1072160251 /nfs/dbraw/zinc/16/02/51/1072160251.db2.gz AGGOGTJGVAQLRW-JSGCOSHPSA-N 1 2 387.440 -0.077 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280698052 1072160243 /nfs/dbraw/zinc/16/02/43/1072160243.db2.gz AGGOGTJGVAQLRW-JSGCOSHPSA-N 1 2 387.440 -0.077 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280698056 1072160162 /nfs/dbraw/zinc/16/01/62/1072160162.db2.gz AGGOGTJGVAQLRW-OCCSQVGLSA-N 1 2 387.440 -0.077 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280698056 1072160156 /nfs/dbraw/zinc/16/01/56/1072160156.db2.gz AGGOGTJGVAQLRW-OCCSQVGLSA-N 1 2 387.440 -0.077 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280698061 1072160624 /nfs/dbraw/zinc/16/06/24/1072160624.db2.gz AGGOGTJGVAQLRW-TZMCWYRMSA-N 1 2 387.440 -0.077 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280698061 1072160621 /nfs/dbraw/zinc/16/06/21/1072160621.db2.gz AGGOGTJGVAQLRW-TZMCWYRMSA-N 1 2 387.440 -0.077 20 0 GBADLO CC(C)NC(=O)CN1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000280718025 1072161514 /nfs/dbraw/zinc/16/15/14/1072161514.db2.gz LXPBZBPRYXBOAB-UHFFFAOYSA-N 1 2 384.502 -0.145 20 0 GBADLO O=C(CN1CCOCC1=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000280725786 1072161290 /nfs/dbraw/zinc/16/12/90/1072161290.db2.gz UWBDXSQHXUMBRT-UHFFFAOYSA-N 1 2 377.441 -0.127 20 0 GBADLO C[C@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C[NH+]1CCN(C)CC1 ZINC000280735216 530244704 /nfs/dbraw/zinc/24/47/04/530244704.db2.gz NROPEUDBWNZUSP-CYBMUJFWSA-N 1 2 390.531 -0.353 20 0 GBADLO C[C@@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C[NH+]1CCN(C)CC1 ZINC000280735226 530244614 /nfs/dbraw/zinc/24/46/14/530244614.db2.gz NROPEUDBWNZUSP-ZDUSSCGKSA-N 1 2 390.531 -0.353 20 0 GBADLO COCC[NH+]1CCN(C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)CC1 ZINC000280755327 1072161306 /nfs/dbraw/zinc/16/13/06/1072161306.db2.gz LJFKGUIVNZAQAS-UHFFFAOYSA-N 1 2 381.429 -0.028 20 0 GBADLO C[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000280756272 1072161236 /nfs/dbraw/zinc/16/12/36/1072161236.db2.gz CLJQUCIJPKTPPC-MGBSGCIJSA-N 1 2 379.461 -0.456 20 0 GBADLO C[C@@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000280756279 1072161335 /nfs/dbraw/zinc/16/13/35/1072161335.db2.gz CLJQUCIJPKTPPC-OSRSDYAFSA-N 1 2 379.461 -0.456 20 0 GBADLO C[C@@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000280756287 1072161380 /nfs/dbraw/zinc/16/13/80/1072161380.db2.gz CLJQUCIJPKTPPC-UTJXIGIESA-N 1 2 379.461 -0.456 20 0 GBADLO C[C@H]([C@H](C)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000280756294 1072160966 /nfs/dbraw/zinc/16/09/66/1072160966.db2.gz CLJQUCIJPKTPPC-UWWPHRKUSA-N 1 2 379.461 -0.456 20 0 GBADLO Cn1cc([C@H]2[C@H](C(=O)NCC[N@H+]3CCOCC3(C)C)OCC(=O)N2C)cn1 ZINC000280758641 1072161135 /nfs/dbraw/zinc/16/11/35/1072161135.db2.gz CPIBTZNJGPUWGL-JKSUJKDBSA-N 1 2 379.461 -0.455 20 0 GBADLO Cn1cc([C@H]2[C@H](C(=O)NCC[N@@H+]3CCOCC3(C)C)OCC(=O)N2C)cn1 ZINC000280758641 1072161129 /nfs/dbraw/zinc/16/11/29/1072161129.db2.gz CPIBTZNJGPUWGL-JKSUJKDBSA-N 1 2 379.461 -0.455 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000280768564 1072357579 /nfs/dbraw/zinc/35/75/79/1072357579.db2.gz JICOFBLYOFCLDF-IBGZPJMESA-N 1 2 378.473 -0.422 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000280768564 1072357569 /nfs/dbraw/zinc/35/75/69/1072357569.db2.gz JICOFBLYOFCLDF-IBGZPJMESA-N 1 2 378.473 -0.422 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000280768566 1072357850 /nfs/dbraw/zinc/35/78/50/1072357850.db2.gz JICOFBLYOFCLDF-LJQANCHMSA-N 1 2 378.473 -0.422 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000280768566 1072357842 /nfs/dbraw/zinc/35/78/42/1072357842.db2.gz JICOFBLYOFCLDF-LJQANCHMSA-N 1 2 378.473 -0.422 20 0 GBADLO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000280769148 530245205 /nfs/dbraw/zinc/24/52/05/530245205.db2.gz RNLBXTNTFRGBOX-CYBMUJFWSA-N 1 2 389.499 -0.172 20 0 GBADLO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000280769151 530245089 /nfs/dbraw/zinc/24/50/89/530245089.db2.gz RNLBXTNTFRGBOX-ZDUSSCGKSA-N 1 2 389.499 -0.172 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)nn3)CC2)CC1 ZINC000280770091 530244935 /nfs/dbraw/zinc/24/49/35/530244935.db2.gz MLENZOLNXUZRNY-UHFFFAOYSA-N 1 2 388.881 -0.620 20 0 GBADLO CNc1nc(C)cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000280790568 1073078485 /nfs/dbraw/zinc/07/84/85/1073078485.db2.gz OGISXQOVBDKXOC-UHFFFAOYSA-N 1 2 397.505 -0.923 20 0 GBADLO COC(=O)[C@@H](C)N(C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000280806648 1073168850 /nfs/dbraw/zinc/16/88/50/1073168850.db2.gz SQUVGUGGNNAMHH-GFCCVEGCSA-N 1 2 375.433 -0.495 20 0 GBADLO COC(=O)[C@H](C)N(C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000280806651 1073168703 /nfs/dbraw/zinc/16/87/03/1073168703.db2.gz SQUVGUGGNNAMHH-LBPRGKRZSA-N 1 2 375.433 -0.495 20 0 GBADLO C[C@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C[NH+]1CCOCC1 ZINC000280823686 530244886 /nfs/dbraw/zinc/24/48/86/530244886.db2.gz YKJBNHGYAOMUOF-GFCCVEGCSA-N 1 2 377.488 -0.268 20 0 GBADLO C[C@@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C[NH+]1CCOCC1 ZINC000280823690 530244995 /nfs/dbraw/zinc/24/49/95/530244995.db2.gz YKJBNHGYAOMUOF-LBPRGKRZSA-N 1 2 377.488 -0.268 20 0 GBADLO CN(C)[C@@H](C(=O)NCCS(=O)(=O)N1CCSCC1)c1c[nH+]cn1C ZINC000280825391 530244961 /nfs/dbraw/zinc/24/49/61/530244961.db2.gz SGLMLAPHLUXCCR-CYBMUJFWSA-N 1 2 375.520 -0.482 20 0 GBADLO CN(C)[C@H](C(=O)NCCS(=O)(=O)N1CCSCC1)c1c[nH+]cn1C ZINC000280825394 530244941 /nfs/dbraw/zinc/24/49/41/530244941.db2.gz SGLMLAPHLUXCCR-ZDUSSCGKSA-N 1 2 375.520 -0.482 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000280888008 530245069 /nfs/dbraw/zinc/24/50/69/530245069.db2.gz BNWBEFOZLVCMCR-GFCCVEGCSA-N 1 2 391.877 -0.248 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000280888013 530245223 /nfs/dbraw/zinc/24/52/23/530245223.db2.gz BNWBEFOZLVCMCR-LBPRGKRZSA-N 1 2 391.877 -0.248 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c(C)c1 ZINC000280889260 1073403771 /nfs/dbraw/zinc/40/37/71/1073403771.db2.gz AUVGGOZWAOQVBK-AWEZNQCLSA-N 1 2 392.456 -0.417 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c(C)c1 ZINC000280889265 1073403585 /nfs/dbraw/zinc/40/35/85/1073403585.db2.gz AUVGGOZWAOQVBK-CQSZACIVSA-N 1 2 392.456 -0.417 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000280915625 530245193 /nfs/dbraw/zinc/24/51/93/530245193.db2.gz FWGDUAVNTCVKML-UHFFFAOYSA-N 1 2 376.504 -0.517 20 0 GBADLO CC(C)Oc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1C(N)=O ZINC000280921053 1073405776 /nfs/dbraw/zinc/40/57/76/1073405776.db2.gz DHQAMLJOUAKLKA-UHFFFAOYSA-N 1 2 378.429 -0.352 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CCOc2cccc(S(C)(=O)=O)c2)CC1 ZINC000280927347 530245181 /nfs/dbraw/zinc/24/51/81/530245181.db2.gz GTWVHTVEXLZGPT-UHFFFAOYSA-N 1 2 391.515 -0.013 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000280968530 1073405561 /nfs/dbraw/zinc/40/55/61/1073405561.db2.gz KJGQPMNRRMITJS-CYBMUJFWSA-N 1 2 397.501 -0.081 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000280968537 1073405530 /nfs/dbraw/zinc/40/55/30/1073405530.db2.gz KJGQPMNRRMITJS-ZDUSSCGKSA-N 1 2 397.501 -0.081 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000280994354 1073406827 /nfs/dbraw/zinc/40/68/27/1073406827.db2.gz MAIJCIHVYQVWPB-UHFFFAOYSA-N 1 2 384.458 -0.450 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000281008822 530245247 /nfs/dbraw/zinc/24/52/47/530245247.db2.gz NHFNJVIFXBDDRX-UHFFFAOYSA-N 1 2 389.503 -0.408 20 0 GBADLO CNc1cc(N2CCC[C@@H]2CN2C(=O)[C@@H]3CS(=O)(=O)CCN3C2=O)[nH+]cn1 ZINC000281014606 1072635976 /nfs/dbraw/zinc/63/59/76/1072635976.db2.gz LNJHCNHOSKTOEI-NEPJUHHUSA-N 1 2 394.457 -0.452 20 0 GBADLO CNc1cc(N2CCC[C@@H]2CN2C(=O)[C@@H]3CS(=O)(=O)CCN3C2=O)nc[nH+]1 ZINC000281014606 1072635972 /nfs/dbraw/zinc/63/59/72/1072635972.db2.gz LNJHCNHOSKTOEI-NEPJUHHUSA-N 1 2 394.457 -0.452 20 0 GBADLO CNc1cc(N2CCC[C@H]2CN2C(=O)[C@H]3CS(=O)(=O)CCN3C2=O)[nH+]cn1 ZINC000281014612 1073407667 /nfs/dbraw/zinc/40/76/67/1073407667.db2.gz LNJHCNHOSKTOEI-NWDGAFQWSA-N 1 2 394.457 -0.452 20 0 GBADLO CNc1cc(N2CCC[C@H]2CN2C(=O)[C@H]3CS(=O)(=O)CCN3C2=O)nc[nH+]1 ZINC000281014612 1073407664 /nfs/dbraw/zinc/40/76/64/1073407664.db2.gz LNJHCNHOSKTOEI-NWDGAFQWSA-N 1 2 394.457 -0.452 20 0 GBADLO CNc1cc(N2CCC[C@H]2CN2C(=O)[C@@H]3CS(=O)(=O)CCN3C2=O)[nH+]cn1 ZINC000281014616 1073407630 /nfs/dbraw/zinc/40/76/30/1073407630.db2.gz LNJHCNHOSKTOEI-RYUDHWBXSA-N 1 2 394.457 -0.452 20 0 GBADLO CNc1cc(N2CCC[C@H]2CN2C(=O)[C@@H]3CS(=O)(=O)CCN3C2=O)nc[nH+]1 ZINC000281014616 1073407629 /nfs/dbraw/zinc/40/76/29/1073407629.db2.gz LNJHCNHOSKTOEI-RYUDHWBXSA-N 1 2 394.457 -0.452 20 0 GBADLO CNc1cc(N2CCC[C@@H]2CN2C(=O)[C@H]3CS(=O)(=O)CCN3C2=O)[nH+]cn1 ZINC000281014620 1073407516 /nfs/dbraw/zinc/40/75/16/1073407516.db2.gz LNJHCNHOSKTOEI-VXGBXAGGSA-N 1 2 394.457 -0.452 20 0 GBADLO CNc1cc(N2CCC[C@@H]2CN2C(=O)[C@H]3CS(=O)(=O)CCN3C2=O)nc[nH+]1 ZINC000281014620 1073407511 /nfs/dbraw/zinc/40/75/11/1073407511.db2.gz LNJHCNHOSKTOEI-VXGBXAGGSA-N 1 2 394.457 -0.452 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1OC ZINC000281017289 1073407623 /nfs/dbraw/zinc/40/76/23/1073407623.db2.gz LURKLCOIKKJHMF-GFCCVEGCSA-N 1 2 379.413 -0.055 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000281021704 530244922 /nfs/dbraw/zinc/24/49/22/530244922.db2.gz OJWVYVKWCAUOMJ-UHFFFAOYSA-N 1 2 390.531 -0.045 20 0 GBADLO CC(C)(CNC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21)[NH+]1CCOCC1 ZINC000281038351 1073408581 /nfs/dbraw/zinc/40/85/81/1073408581.db2.gz RBPMXPUGIBWVIK-UHFFFAOYSA-N 1 2 396.513 -0.077 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000281038504 1073408877 /nfs/dbraw/zinc/40/88/77/1073408877.db2.gz PXFJVQHLSWSTNB-UHFFFAOYSA-N 1 2 383.474 -0.469 20 0 GBADLO Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000281052018 1073408495 /nfs/dbraw/zinc/40/84/95/1073408495.db2.gz JGRJRZZSRDTODX-UHFFFAOYSA-N 1 2 376.457 -0.093 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c(C)c1 ZINC000281064097 1073410033 /nfs/dbraw/zinc/41/00/33/1073410033.db2.gz QCSQBLPHUXLELC-UHFFFAOYSA-N 1 2 378.429 -0.805 20 0 GBADLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000281076887 530245601 /nfs/dbraw/zinc/24/56/01/530245601.db2.gz FQBOEJTYBOHENL-UHFFFAOYSA-N 1 2 388.877 -0.119 20 0 GBADLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)CN(C)S(C)(=O)=O ZINC000281099276 530245370 /nfs/dbraw/zinc/24/53/70/530245370.db2.gz CSYQSLZIFXPNIK-STQMWFEESA-N 1 2 375.470 -0.318 20 0 GBADLO COCC[NH+]1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000281101384 1073411001 /nfs/dbraw/zinc/41/10/01/1073411001.db2.gz FHSCFWPSAYWEKP-UHFFFAOYSA-N 1 2 381.477 -0.768 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000281113334 1073411845 /nfs/dbraw/zinc/41/18/45/1073411845.db2.gz FENHZBXSHLRWNZ-IHETXDGRSA-N 1 2 393.488 -0.114 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000281113334 1073411838 /nfs/dbraw/zinc/41/18/38/1073411838.db2.gz FENHZBXSHLRWNZ-IHETXDGRSA-N 1 2 393.488 -0.114 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccccc2COC)CC1 ZINC000281118352 1073411079 /nfs/dbraw/zinc/41/10/79/1073411079.db2.gz XHHXQMBTMJJRIM-UHFFFAOYSA-N 1 2 384.502 -0.033 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000281141987 1073413193 /nfs/dbraw/zinc/41/31/93/1073413193.db2.gz HTIXBMDWTWLNTG-RRQGHBQHSA-N 1 2 379.461 -0.503 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000281141994 1073412725 /nfs/dbraw/zinc/41/27/25/1073412725.db2.gz HTIXBMDWTWLNTG-XOKHGSTOSA-N 1 2 379.461 -0.503 20 0 GBADLO CC(=O)N1CC[NH+](CCNC(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000281146038 1073412198 /nfs/dbraw/zinc/41/21/98/1073412198.db2.gz HCGQLTIQTPKRQH-QPJJXVBHSA-N 1 2 380.470 -0.373 20 0 GBADLO O=C(Nc1ccc(F)c(N2CCOC2=O)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000281170908 1073412945 /nfs/dbraw/zinc/41/29/45/1073412945.db2.gz YVYWAAKXWTWTHV-UHFFFAOYSA-N 1 2 380.376 -0.143 20 0 GBADLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000281179787 530245348 /nfs/dbraw/zinc/24/53/48/530245348.db2.gz NGXYXLQPEFTJOF-UHFFFAOYSA-N 1 2 391.515 -0.110 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000281206811 530245622 /nfs/dbraw/zinc/24/56/22/530245622.db2.gz MMSTUFCEHAXRKC-AGIUHOORSA-N 1 2 375.470 -0.271 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000281206812 530245568 /nfs/dbraw/zinc/24/55/68/530245568.db2.gz MMSTUFCEHAXRKC-AVGNSLFASA-N 1 2 375.470 -0.271 20 0 GBADLO CC(=O)N[C@@](C)(C(=O)N1CC[NH+](CCO)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000281211986 1073415910 /nfs/dbraw/zinc/41/59/10/1073415910.db2.gz ZUCHWVCQXSEFKL-GOSISDBHSA-N 1 2 397.497 -0.422 20 0 GBADLO CC(=O)N[C@](C)(C(=O)N1CC[NH+](CCO)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000281211995 1073415816 /nfs/dbraw/zinc/41/58/16/1073415816.db2.gz ZUCHWVCQXSEFKL-SFHVURJKSA-N 1 2 397.497 -0.422 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000281212183 1073415837 /nfs/dbraw/zinc/41/58/37/1073415837.db2.gz MZZARWCPHGDTMD-DLBZAZTESA-N 1 2 393.488 -0.112 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000281212183 1073415834 /nfs/dbraw/zinc/41/58/34/1073415834.db2.gz MZZARWCPHGDTMD-DLBZAZTESA-N 1 2 393.488 -0.112 20 0 GBADLO Cn1ncc2c1C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000281321982 1073420146 /nfs/dbraw/zinc/42/01/46/1073420146.db2.gz RISNMYXMARKNSY-GDBMZVCRSA-N 1 2 375.473 -0.426 20 0 GBADLO Cn1ncc2c1C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000281321985 1073420347 /nfs/dbraw/zinc/42/03/47/1073420347.db2.gz RISNMYXMARKNSY-GOEBONIOSA-N 1 2 375.473 -0.426 20 0 GBADLO Cn1ncc2c1C[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000281321988 1073420189 /nfs/dbraw/zinc/42/01/89/1073420189.db2.gz RISNMYXMARKNSY-HOCLYGCPSA-N 1 2 375.473 -0.426 20 0 GBADLO Cn1ncc2c1C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000281321991 1073420310 /nfs/dbraw/zinc/42/03/10/1073420310.db2.gz RISNMYXMARKNSY-ZBFHGGJFSA-N 1 2 375.473 -0.426 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(=O)n(C)c1=O ZINC000281330230 1073418660 /nfs/dbraw/zinc/41/86/60/1073418660.db2.gz LUSKHZAUXHJFQM-NEPJUHHUSA-N 1 2 393.444 -0.602 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(=O)n(C)c1=O ZINC000281330230 1073418654 /nfs/dbraw/zinc/41/86/54/1073418654.db2.gz LUSKHZAUXHJFQM-NEPJUHHUSA-N 1 2 393.444 -0.602 20 0 GBADLO CC(C)n1cnc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000281385455 1073419898 /nfs/dbraw/zinc/41/98/98/1073419898.db2.gz XQZZGMIJEZNQPJ-UHFFFAOYSA-N 1 2 384.506 -0.286 20 0 GBADLO O=C(N[C@@H](CO)Cc1ccncc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000281443383 1073426516 /nfs/dbraw/zinc/42/65/16/1073426516.db2.gz BYQQFWOGAIKZOB-DLBZAZTESA-N 1 2 376.457 -0.718 20 0 GBADLO O=C(N[C@@H](CO)Cc1ccncc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000281443388 1073426479 /nfs/dbraw/zinc/42/64/79/1073426479.db2.gz BYQQFWOGAIKZOB-IAGOWNOFSA-N 1 2 376.457 -0.718 20 0 GBADLO O=C(N[C@H](CO)Cc1ccncc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000281443394 1073426466 /nfs/dbraw/zinc/42/64/66/1073426466.db2.gz BYQQFWOGAIKZOB-IRXDYDNUSA-N 1 2 376.457 -0.718 20 0 GBADLO O=C(N[C@H](CO)Cc1ccncc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000281443399 1073426509 /nfs/dbraw/zinc/42/65/09/1073426509.db2.gz BYQQFWOGAIKZOB-SJORKVTESA-N 1 2 376.457 -0.718 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(=O)[nH]c1=O ZINC000281480525 1073428358 /nfs/dbraw/zinc/42/83/58/1073428358.db2.gz WOTNAHWBSKJMQF-MNOVXSKESA-N 1 2 379.417 -0.200 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(=O)[nH]c1=O ZINC000281480525 1073428350 /nfs/dbraw/zinc/42/83/50/1073428350.db2.gz WOTNAHWBSKJMQF-MNOVXSKESA-N 1 2 379.417 -0.200 20 0 GBADLO NC(=O)C1=NO[C@@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000281487699 1073427392 /nfs/dbraw/zinc/42/73/92/1073427392.db2.gz FJUYGIGQRAKJRK-CYBMUJFWSA-N 1 2 388.428 -0.743 20 0 GBADLO NC(=O)C1=NO[C@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000281487706 1073427195 /nfs/dbraw/zinc/42/71/95/1073427195.db2.gz FJUYGIGQRAKJRK-ZDUSSCGKSA-N 1 2 388.428 -0.743 20 0 GBADLO COC(=O)c1n[nH]cc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000281492598 1073429498 /nfs/dbraw/zinc/42/94/98/1073429498.db2.gz GTGDCHZPKKNUHX-CYBMUJFWSA-N 1 2 379.417 -0.152 20 0 GBADLO COC(=O)c1n[nH]cc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000281492603 1073429142 /nfs/dbraw/zinc/42/91/42/1073429142.db2.gz GTGDCHZPKKNUHX-ZDUSSCGKSA-N 1 2 379.417 -0.152 20 0 GBADLO COCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000281496559 1073429086 /nfs/dbraw/zinc/42/90/86/1073429086.db2.gz KAALRFYKXFIAHQ-KRWDZBQOSA-N 1 2 378.473 -0.114 20 0 GBADLO COCC[C@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000281496564 1073429162 /nfs/dbraw/zinc/42/91/62/1073429162.db2.gz KAALRFYKXFIAHQ-QGZVFWFLSA-N 1 2 378.473 -0.114 20 0 GBADLO COCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000281574550 1073436670 /nfs/dbraw/zinc/43/66/70/1073436670.db2.gz MLSASCSJANQRPX-UHFFFAOYSA-N 1 2 385.486 -0.296 20 0 GBADLO CCOC(=O)[C@]1(COC)CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000281576355 1073435606 /nfs/dbraw/zinc/43/56/06/1073435606.db2.gz ZLTYQUXZUXJXDK-GOSISDBHSA-N 1 2 396.444 -0.859 20 0 GBADLO CCOC(=O)[C@]1(COC)CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000281576355 1073435604 /nfs/dbraw/zinc/43/56/04/1073435604.db2.gz ZLTYQUXZUXJXDK-GOSISDBHSA-N 1 2 396.444 -0.859 20 0 GBADLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000281576358 1073435775 /nfs/dbraw/zinc/43/57/75/1073435775.db2.gz ZLTYQUXZUXJXDK-SFHVURJKSA-N 1 2 396.444 -0.859 20 0 GBADLO CCOC(=O)[C@@]1(COC)CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000281576358 1073435769 /nfs/dbraw/zinc/43/57/69/1073435769.db2.gz ZLTYQUXZUXJXDK-SFHVURJKSA-N 1 2 396.444 -0.859 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000281576465 1073435585 /nfs/dbraw/zinc/43/55/85/1073435585.db2.gz MQJZAIYCBGSBLS-NFBGWVBBSA-N 1 2 383.470 -0.501 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000281576467 1073435563 /nfs/dbraw/zinc/43/55/63/1073435563.db2.gz MQJZAIYCBGSBLS-SZTZYQKNSA-N 1 2 383.470 -0.501 20 0 GBADLO NC(=S)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000281590890 1073437800 /nfs/dbraw/zinc/43/78/00/1073437800.db2.gz NOGAVMYUEFOJGG-HNNXBMFYSA-N 1 2 376.482 -0.016 20 0 GBADLO NC(=S)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000281590892 1073437563 /nfs/dbraw/zinc/43/75/63/1073437563.db2.gz NOGAVMYUEFOJGG-OAHLLOKOSA-N 1 2 376.482 -0.016 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000281721610 530246375 /nfs/dbraw/zinc/24/63/75/530246375.db2.gz GXZPXEXJBNOIPM-UHFFFAOYSA-N 1 2 377.488 -0.717 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000281724801 530246454 /nfs/dbraw/zinc/24/64/54/530246454.db2.gz BQYNJADAIDWNQD-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000281724801 530246453 /nfs/dbraw/zinc/24/64/53/530246453.db2.gz BQYNJADAIDWNQD-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000281724802 530246215 /nfs/dbraw/zinc/24/62/15/530246215.db2.gz BQYNJADAIDWNQD-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000281724802 530246213 /nfs/dbraw/zinc/24/62/13/530246213.db2.gz BQYNJADAIDWNQD-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000281724803 530246362 /nfs/dbraw/zinc/24/63/62/530246362.db2.gz BQYNJADAIDWNQD-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000281724803 530246360 /nfs/dbraw/zinc/24/63/60/530246360.db2.gz BQYNJADAIDWNQD-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000281724804 530246205 /nfs/dbraw/zinc/24/62/05/530246205.db2.gz BQYNJADAIDWNQD-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000281724804 530246204 /nfs/dbraw/zinc/24/62/04/530246204.db2.gz BQYNJADAIDWNQD-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCSc1nnc(C)[nH]1 ZINC000281755973 1073447513 /nfs/dbraw/zinc/44/75/13/1073447513.db2.gz PVHWSEUESAEFDF-UHFFFAOYSA-N 1 2 384.506 -0.156 20 0 GBADLO NS(=O)(=O)CCN1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000281761880 1073447901 /nfs/dbraw/zinc/44/79/01/1073447901.db2.gz COSVSYXUJPPQBH-AWEZNQCLSA-N 1 2 382.490 -0.724 20 0 GBADLO NS(=O)(=O)CCN1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000281761883 1073447870 /nfs/dbraw/zinc/44/78/70/1073447870.db2.gz COSVSYXUJPPQBH-CQSZACIVSA-N 1 2 382.490 -0.724 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000281867281 530246813 /nfs/dbraw/zinc/24/68/13/530246813.db2.gz MDNIBSXOKXSUCT-UHFFFAOYSA-N 1 2 388.877 -0.072 20 0 GBADLO CC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1CCNC1=O ZINC000281883584 1073455135 /nfs/dbraw/zinc/45/51/35/1073455135.db2.gz POBQJOVJNILYRY-KRWDZBQOSA-N 1 2 388.468 -0.014 20 0 GBADLO CC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1CCNC1=O ZINC000281883584 1073455131 /nfs/dbraw/zinc/45/51/31/1073455131.db2.gz POBQJOVJNILYRY-KRWDZBQOSA-N 1 2 388.468 -0.014 20 0 GBADLO CC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1CCNC1=O ZINC000281883589 1072648410 /nfs/dbraw/zinc/64/84/10/1072648410.db2.gz POBQJOVJNILYRY-QGZVFWFLSA-N 1 2 388.468 -0.014 20 0 GBADLO CC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1CCNC1=O ZINC000281883589 1072648408 /nfs/dbraw/zinc/64/84/08/1072648408.db2.gz POBQJOVJNILYRY-QGZVFWFLSA-N 1 2 388.468 -0.014 20 0 GBADLO COc1cccc(COC[C@H](O)CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000281894473 1073455184 /nfs/dbraw/zinc/45/51/84/1073455184.db2.gz BDBIKTXGFPJYHL-AEFFLSMTSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1cccc(COC[C@H](O)CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000281894473 1073455180 /nfs/dbraw/zinc/45/51/80/1073455180.db2.gz BDBIKTXGFPJYHL-AEFFLSMTSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1cccc(COC[C@@H](O)CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000281894477 1073455334 /nfs/dbraw/zinc/45/53/34/1073455334.db2.gz BDBIKTXGFPJYHL-FUHWJXTLSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1cccc(COC[C@@H](O)CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000281894477 1073455326 /nfs/dbraw/zinc/45/53/26/1073455326.db2.gz BDBIKTXGFPJYHL-FUHWJXTLSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1cccc(COC[C@H](O)CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000281894481 1073455063 /nfs/dbraw/zinc/45/50/63/1073455063.db2.gz BDBIKTXGFPJYHL-SJLPKXTDSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1cccc(COC[C@H](O)CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000281894481 1073455061 /nfs/dbraw/zinc/45/50/61/1073455061.db2.gz BDBIKTXGFPJYHL-SJLPKXTDSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1cccc(COC[C@@H](O)CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000281894486 1073454900 /nfs/dbraw/zinc/45/49/00/1073454900.db2.gz BDBIKTXGFPJYHL-WMZOPIPTSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1cccc(COC[C@@H](O)CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000281894486 1073454895 /nfs/dbraw/zinc/45/48/95/1073454895.db2.gz BDBIKTXGFPJYHL-WMZOPIPTSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1cccc(OC)c1OC[C@H](O)CN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000281943696 1073457884 /nfs/dbraw/zinc/45/78/84/1073457884.db2.gz FBUGUJVSZWAIMN-CABCVRRESA-N 1 2 397.472 -0.439 20 0 GBADLO COc1cccc(OC)c1OC[C@H](O)CN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000281943696 1073457881 /nfs/dbraw/zinc/45/78/81/1073457881.db2.gz FBUGUJVSZWAIMN-CABCVRRESA-N 1 2 397.472 -0.439 20 0 GBADLO COc1cccc(OC)c1OC[C@@H](O)CN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000281943701 1073458152 /nfs/dbraw/zinc/45/81/52/1073458152.db2.gz FBUGUJVSZWAIMN-GJZGRUSLSA-N 1 2 397.472 -0.439 20 0 GBADLO COc1cccc(OC)c1OC[C@@H](O)CN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000281943701 1073458145 /nfs/dbraw/zinc/45/81/45/1073458145.db2.gz FBUGUJVSZWAIMN-GJZGRUSLSA-N 1 2 397.472 -0.439 20 0 GBADLO COc1cccc(OC)c1OC[C@H](O)CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000281943706 1073457957 /nfs/dbraw/zinc/45/79/57/1073457957.db2.gz FBUGUJVSZWAIMN-HUUCEWRRSA-N 1 2 397.472 -0.439 20 0 GBADLO COc1cccc(OC)c1OC[C@H](O)CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000281943706 1073457954 /nfs/dbraw/zinc/45/79/54/1073457954.db2.gz FBUGUJVSZWAIMN-HUUCEWRRSA-N 1 2 397.472 -0.439 20 0 GBADLO COc1cccc(OC)c1OC[C@@H](O)CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000281943710 1073458127 /nfs/dbraw/zinc/45/81/27/1073458127.db2.gz FBUGUJVSZWAIMN-LSDHHAIUSA-N 1 2 397.472 -0.439 20 0 GBADLO COc1cccc(OC)c1OC[C@@H](O)CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000281943710 1073458121 /nfs/dbraw/zinc/45/81/21/1073458121.db2.gz FBUGUJVSZWAIMN-LSDHHAIUSA-N 1 2 397.472 -0.439 20 0 GBADLO CCOCc1ccc(CNC(=O)CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000281945892 1073457848 /nfs/dbraw/zinc/45/78/48/1073457848.db2.gz FEJMWBAXDNRNOG-GOSISDBHSA-N 1 2 392.500 -0.043 20 0 GBADLO CCOCc1ccc(CNC(=O)CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000281945892 1073457845 /nfs/dbraw/zinc/45/78/45/1073457845.db2.gz FEJMWBAXDNRNOG-GOSISDBHSA-N 1 2 392.500 -0.043 20 0 GBADLO CCOCc1ccc(CNC(=O)CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000281945894 1073458194 /nfs/dbraw/zinc/45/81/94/1073458194.db2.gz FEJMWBAXDNRNOG-SFHVURJKSA-N 1 2 392.500 -0.043 20 0 GBADLO CCOCc1ccc(CNC(=O)CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000281945894 1073458186 /nfs/dbraw/zinc/45/81/86/1073458186.db2.gz FEJMWBAXDNRNOG-SFHVURJKSA-N 1 2 392.500 -0.043 20 0 GBADLO COc1ccccc1COC[C@@H](O)CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000281971450 1073460982 /nfs/dbraw/zinc/46/09/82/1073460982.db2.gz GXYREAHUWIOMRV-DLBZAZTESA-N 1 2 381.473 -0.309 20 0 GBADLO COc1ccccc1COC[C@@H](O)CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000281971450 1073460974 /nfs/dbraw/zinc/46/09/74/1073460974.db2.gz GXYREAHUWIOMRV-DLBZAZTESA-N 1 2 381.473 -0.309 20 0 GBADLO COc1ccccc1COC[C@H](O)CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000281971451 1073461495 /nfs/dbraw/zinc/46/14/95/1073461495.db2.gz GXYREAHUWIOMRV-IAGOWNOFSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1ccccc1COC[C@H](O)CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000281971451 1073461492 /nfs/dbraw/zinc/46/14/92/1073461492.db2.gz GXYREAHUWIOMRV-IAGOWNOFSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1ccccc1COC[C@@H](O)CN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000281971452 1073461472 /nfs/dbraw/zinc/46/14/72/1073461472.db2.gz GXYREAHUWIOMRV-IRXDYDNUSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1ccccc1COC[C@@H](O)CN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000281971452 1073461467 /nfs/dbraw/zinc/46/14/67/1073461467.db2.gz GXYREAHUWIOMRV-IRXDYDNUSA-N 1 2 381.473 -0.309 20 0 GBADLO COc1ccccc1COC[C@H](O)CN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000281971453 1073461433 /nfs/dbraw/zinc/46/14/33/1073461433.db2.gz GXYREAHUWIOMRV-SJORKVTESA-N 1 2 381.473 -0.309 20 0 GBADLO COc1ccccc1COC[C@H](O)CN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000281971453 1073461430 /nfs/dbraw/zinc/46/14/30/1073461430.db2.gz GXYREAHUWIOMRV-SJORKVTESA-N 1 2 381.473 -0.309 20 0 GBADLO CCOCc1ccccc1CNC(=O)CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000282013920 1073528082 /nfs/dbraw/zinc/52/80/82/1073528082.db2.gz JTVQDVIDDVRTFZ-GOSISDBHSA-N 1 2 392.500 -0.043 20 0 GBADLO CCOCc1ccccc1CNC(=O)CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000282013920 1073528072 /nfs/dbraw/zinc/52/80/72/1073528072.db2.gz JTVQDVIDDVRTFZ-GOSISDBHSA-N 1 2 392.500 -0.043 20 0 GBADLO CCOCc1ccccc1CNC(=O)CN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000282013926 1072650914 /nfs/dbraw/zinc/65/09/14/1072650914.db2.gz JTVQDVIDDVRTFZ-SFHVURJKSA-N 1 2 392.500 -0.043 20 0 GBADLO CCOCc1ccccc1CNC(=O)CN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000282013926 1072650908 /nfs/dbraw/zinc/65/09/08/1072650908.db2.gz JTVQDVIDDVRTFZ-SFHVURJKSA-N 1 2 392.500 -0.043 20 0 GBADLO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C(=O)NCCF ZINC000282018529 1073534244 /nfs/dbraw/zinc/53/42/44/1073534244.db2.gz DFBPCCNEXRCTAE-AWEZNQCLSA-N 1 2 393.463 -0.037 20 0 GBADLO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C(=O)NCCF ZINC000282018531 1073534492 /nfs/dbraw/zinc/53/44/92/1073534492.db2.gz DFBPCCNEXRCTAE-CQSZACIVSA-N 1 2 393.463 -0.037 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000282060530 530247188 /nfs/dbraw/zinc/24/71/88/530247188.db2.gz CVONKEKWIQSMRH-GFCCVEGCSA-N 1 2 376.504 -0.881 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000282060530 530247186 /nfs/dbraw/zinc/24/71/86/530247186.db2.gz CVONKEKWIQSMRH-GFCCVEGCSA-N 1 2 376.504 -0.881 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000282060533 530247140 /nfs/dbraw/zinc/24/71/40/530247140.db2.gz CVONKEKWIQSMRH-LBPRGKRZSA-N 1 2 376.504 -0.881 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000282060533 530247137 /nfs/dbraw/zinc/24/71/37/530247137.db2.gz CVONKEKWIQSMRH-LBPRGKRZSA-N 1 2 376.504 -0.881 20 0 GBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 ZINC000282073124 530247449 /nfs/dbraw/zinc/24/74/49/530247449.db2.gz YMIKQFMOIGLZJY-CYBMUJFWSA-N 1 2 391.515 -0.328 20 0 GBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 ZINC000282073130 530247379 /nfs/dbraw/zinc/24/73/79/530247379.db2.gz YMIKQFMOIGLZJY-ZDUSSCGKSA-N 1 2 391.515 -0.328 20 0 GBADLO NC(=O)NC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000282156104 530247273 /nfs/dbraw/zinc/24/72/73/530247273.db2.gz MHYDCRXYOQZMTD-UHFFFAOYSA-N 1 2 376.385 -0.144 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000282329264 530247774 /nfs/dbraw/zinc/24/77/74/530247774.db2.gz WPGYQBGNHOVVLR-UHFFFAOYSA-N 1 2 377.488 -0.717 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000282329264 530247773 /nfs/dbraw/zinc/24/77/73/530247773.db2.gz WPGYQBGNHOVVLR-UHFFFAOYSA-N 1 2 377.488 -0.717 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000282394036 530248320 /nfs/dbraw/zinc/24/83/20/530248320.db2.gz DFGUOLNWKHCYTH-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000282394039 530248164 /nfs/dbraw/zinc/24/81/64/530248164.db2.gz DFGUOLNWKHCYTH-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO C[C@H]1Cc2cc(S(=O)(=O)N3CCO[C@H](C[N@@H+](C)CC(N)=O)C3)ccc2O1 ZINC000282445636 1072659856 /nfs/dbraw/zinc/65/98/56/1072659856.db2.gz VGRLGGLOAVHEDM-GXTWGEPZSA-N 1 2 383.470 -0.183 20 0 GBADLO C[C@H]1Cc2cc(S(=O)(=O)N3CCO[C@H](C[N@H+](C)CC(N)=O)C3)ccc2O1 ZINC000282445636 1072659855 /nfs/dbraw/zinc/65/98/55/1072659855.db2.gz VGRLGGLOAVHEDM-GXTWGEPZSA-N 1 2 383.470 -0.183 20 0 GBADLO C[C@H]1Cc2cc(S(=O)(=O)N3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)ccc2O1 ZINC000282445638 1072659597 /nfs/dbraw/zinc/65/95/97/1072659597.db2.gz VGRLGGLOAVHEDM-JSGCOSHPSA-N 1 2 383.470 -0.183 20 0 GBADLO C[C@H]1Cc2cc(S(=O)(=O)N3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)ccc2O1 ZINC000282445638 1072659592 /nfs/dbraw/zinc/65/95/92/1072659592.db2.gz VGRLGGLOAVHEDM-JSGCOSHPSA-N 1 2 383.470 -0.183 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000282539952 530248733 /nfs/dbraw/zinc/24/87/33/530248733.db2.gz MZZQBWBTSCTXLG-UHFFFAOYSA-N 1 2 377.488 -0.405 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000282539952 530248731 /nfs/dbraw/zinc/24/87/31/530248731.db2.gz MZZQBWBTSCTXLG-UHFFFAOYSA-N 1 2 377.488 -0.405 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000282681796 530248616 /nfs/dbraw/zinc/24/86/16/530248616.db2.gz RAUBXYKFMOVHNB-CYBMUJFWSA-N 1 2 391.877 -0.248 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000282681800 530248811 /nfs/dbraw/zinc/24/88/11/530248811.db2.gz RAUBXYKFMOVHNB-ZDUSSCGKSA-N 1 2 391.877 -0.248 20 0 GBADLO C[NH+]1CCN(C(=O)CCNC(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 ZINC000282914565 530249167 /nfs/dbraw/zinc/24/91/67/530249167.db2.gz BROZLMBDRRPHHH-UHFFFAOYSA-N 1 2 394.906 -0.057 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000282955690 530248944 /nfs/dbraw/zinc/24/89/44/530248944.db2.gz IFAKNOJCVQFXNT-UHFFFAOYSA-N 1 2 377.488 -0.405 20 0 GBADLO CN(C)c1ncnc(Cl)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000283007957 530249017 /nfs/dbraw/zinc/24/90/17/530249017.db2.gz GDTDNFLLMMWILV-CHWSQXEVSA-N 1 2 389.909 -0.217 20 0 GBADLO CN(C)c1ncnc(Cl)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000283007961 530248971 /nfs/dbraw/zinc/24/89/71/530248971.db2.gz GDTDNFLLMMWILV-OLZOCXBDSA-N 1 2 389.909 -0.217 20 0 GBADLO CN(C)c1ncnc(Cl)c1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000283007965 530249107 /nfs/dbraw/zinc/24/91/07/530249107.db2.gz GDTDNFLLMMWILV-QWHCGFSZSA-N 1 2 389.909 -0.217 20 0 GBADLO CN(C)c1ncnc(Cl)c1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000283007971 530249173 /nfs/dbraw/zinc/24/91/73/530249173.db2.gz GDTDNFLLMMWILV-STQMWFEESA-N 1 2 389.909 -0.217 20 0 GBADLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000283069445 1072675021 /nfs/dbraw/zinc/67/50/21/1072675021.db2.gz USNPUNWANSXNHJ-INIZCTEOSA-N 1 2 393.469 -0.140 20 0 GBADLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000283069445 1072675017 /nfs/dbraw/zinc/67/50/17/1072675017.db2.gz USNPUNWANSXNHJ-INIZCTEOSA-N 1 2 393.469 -0.140 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)/C=C/c3cncs3)CC2)CC1 ZINC000283125490 530249099 /nfs/dbraw/zinc/24/90/99/530249099.db2.gz YSSQOUOGANKNDU-NSCUHMNNSA-N 1 2 385.515 -0.207 20 0 GBADLO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000283259031 530249621 /nfs/dbraw/zinc/24/96/21/530249621.db2.gz RTAXKSWEUKVDEA-UHFFFAOYSA-N 1 2 380.488 -0.309 20 0 GBADLO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000283259031 530249620 /nfs/dbraw/zinc/24/96/20/530249620.db2.gz RTAXKSWEUKVDEA-UHFFFAOYSA-N 1 2 380.488 -0.309 20 0 GBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@@H](C)C1 ZINC000283358015 1072685645 /nfs/dbraw/zinc/68/56/45/1072685645.db2.gz XSNIPHDNLXZEDO-CVEARBPZSA-N 1 2 375.473 -0.044 20 0 GBADLO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000283525467 1072691441 /nfs/dbraw/zinc/69/14/41/1072691441.db2.gz OYSLJVRYKFOXMJ-HXUWFJFHSA-N 1 2 388.468 -0.141 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000283613898 530250026 /nfs/dbraw/zinc/25/00/26/530250026.db2.gz ZDYAQSRIMMRVJM-SECBINFHSA-N 1 2 397.906 -0.186 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000283613900 530250130 /nfs/dbraw/zinc/25/01/30/530250130.db2.gz ZDYAQSRIMMRVJM-VIFPVBQESA-N 1 2 397.906 -0.186 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cnc(NC(C)=O)s2)CC1 ZINC000283621432 530250015 /nfs/dbraw/zinc/25/00/15/530250015.db2.gz VXPKINSHKNIZJH-UHFFFAOYSA-N 1 2 375.476 -0.410 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCCn2cc[nH+]c2)s1 ZINC000283845338 530250399 /nfs/dbraw/zinc/25/03/99/530250399.db2.gz IXUDSKSZWNNBGO-UHFFFAOYSA-N 1 2 385.471 -0.536 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCc2ccncc2)CC1 ZINC000283934608 1072697541 /nfs/dbraw/zinc/69/75/41/1072697541.db2.gz DUZYJISIKWAKOO-UHFFFAOYSA-N 1 2 394.439 -0.234 20 0 GBADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C[C@H]21 ZINC000284514119 530250677 /nfs/dbraw/zinc/25/06/77/530250677.db2.gz BLAVSFPFRYWMDE-GHMZBOCLSA-N 1 2 387.234 -0.357 20 0 GBADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C[C@H]21 ZINC000284514119 530250674 /nfs/dbraw/zinc/25/06/74/530250674.db2.gz BLAVSFPFRYWMDE-GHMZBOCLSA-N 1 2 387.234 -0.357 20 0 GBADLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C[C@H]21 ZINC000284514122 530250987 /nfs/dbraw/zinc/25/09/87/530250987.db2.gz BLAVSFPFRYWMDE-MNOVXSKESA-N 1 2 387.234 -0.357 20 0 GBADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C[C@H]21 ZINC000284514122 530250985 /nfs/dbraw/zinc/25/09/85/530250985.db2.gz BLAVSFPFRYWMDE-MNOVXSKESA-N 1 2 387.234 -0.357 20 0 GBADLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C[C@@H]21 ZINC000284514126 530250749 /nfs/dbraw/zinc/25/07/49/530250749.db2.gz BLAVSFPFRYWMDE-QWRGUYRKSA-N 1 2 387.234 -0.357 20 0 GBADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C[C@@H]21 ZINC000284514126 530250747 /nfs/dbraw/zinc/25/07/47/530250747.db2.gz BLAVSFPFRYWMDE-QWRGUYRKSA-N 1 2 387.234 -0.357 20 0 GBADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C[C@@H]21 ZINC000284514129 530250948 /nfs/dbraw/zinc/25/09/48/530250948.db2.gz BLAVSFPFRYWMDE-WDEREUQCSA-N 1 2 387.234 -0.357 20 0 GBADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C[C@@H]21 ZINC000284514129 530250946 /nfs/dbraw/zinc/25/09/46/530250946.db2.gz BLAVSFPFRYWMDE-WDEREUQCSA-N 1 2 387.234 -0.357 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)cc[nH+]1 ZINC000284597750 1072717056 /nfs/dbraw/zinc/71/70/56/1072717056.db2.gz OZUWCFJRPBOQTI-UHFFFAOYSA-N 1 2 397.439 -0.625 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccoc3)CC2)CC1 ZINC000284957939 530251366 /nfs/dbraw/zinc/25/13/66/530251366.db2.gz AFXDXUMIEUPJBM-UHFFFAOYSA-N 1 2 378.476 -0.922 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccsc3)CC2)CC1 ZINC000285270773 530251837 /nfs/dbraw/zinc/25/18/37/530251837.db2.gz YRQRXUCXJCHCTO-UHFFFAOYSA-N 1 2 394.544 -0.453 20 0 GBADLO CN(C)[C@@H](C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1c[nH+]cn1C ZINC000285862415 530251960 /nfs/dbraw/zinc/25/19/60/530251960.db2.gz AJMCSVSBIBQEGL-GHMZBOCLSA-N 1 2 385.412 -0.039 20 0 GBADLO CN(C)[C@H](C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1c[nH+]cn1C ZINC000285862418 530252280 /nfs/dbraw/zinc/25/22/80/530252280.db2.gz AJMCSVSBIBQEGL-MNOVXSKESA-N 1 2 385.412 -0.039 20 0 GBADLO CN(C)[C@H](C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1c[nH+]cn1C ZINC000285862422 530252271 /nfs/dbraw/zinc/25/22/71/530252271.db2.gz AJMCSVSBIBQEGL-QWRGUYRKSA-N 1 2 385.412 -0.039 20 0 GBADLO CN(C)[C@@H](C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1c[nH+]cn1C ZINC000285862427 530252269 /nfs/dbraw/zinc/25/22/69/530252269.db2.gz AJMCSVSBIBQEGL-WDEREUQCSA-N 1 2 385.412 -0.039 20 0 GBADLO CN(C)S(=O)(=O)CC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000286023574 530252664 /nfs/dbraw/zinc/25/26/64/530252664.db2.gz PJOOEHPHDNITEG-UHFFFAOYSA-N 1 2 385.515 -0.235 20 0 GBADLO CC(=O)Nc1ncc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000286981401 530253435 /nfs/dbraw/zinc/25/34/35/530253435.db2.gz SJBUNHMRSZASAL-JTQLQIEISA-N 1 2 375.476 -0.280 20 0 GBADLO CC(=O)Nc1ncc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000286981401 530253433 /nfs/dbraw/zinc/25/34/33/530253433.db2.gz SJBUNHMRSZASAL-JTQLQIEISA-N 1 2 375.476 -0.280 20 0 GBADLO CC(=O)Nc1ncc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000286981404 530253342 /nfs/dbraw/zinc/25/33/42/530253342.db2.gz SJBUNHMRSZASAL-SNVBAGLBSA-N 1 2 375.476 -0.280 20 0 GBADLO CC(=O)Nc1ncc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000286981404 530253340 /nfs/dbraw/zinc/25/33/40/530253340.db2.gz SJBUNHMRSZASAL-SNVBAGLBSA-N 1 2 375.476 -0.280 20 0 GBADLO CC(=O)Nc1ncc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)s1 ZINC000287048279 530253247 /nfs/dbraw/zinc/25/32/47/530253247.db2.gz WLNOHEKTZPGSCD-UHFFFAOYSA-N 1 2 389.503 -0.068 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)CC1 ZINC000287397998 530253669 /nfs/dbraw/zinc/25/36/69/530253669.db2.gz SOFBNEPKEQJDQA-UHFFFAOYSA-N 1 2 390.897 -0.827 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000287496508 1072625456 /nfs/dbraw/zinc/62/54/56/1072625456.db2.gz PWEQSCIVPXBPOO-BNOWGMLFSA-N 1 2 385.428 -0.552 20 0 GBADLO NS(=O)(=O)c1ccccc1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000287521568 530254432 /nfs/dbraw/zinc/25/44/32/530254432.db2.gz TVVFVLKJQIZNKJ-UHFFFAOYSA-N 1 2 377.488 -0.524 20 0 GBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NCC[N@@H+](C)CCOC)cn1C ZINC000287579203 530254342 /nfs/dbraw/zinc/25/43/42/530254342.db2.gz YFVHNEIMKWXRAH-UHFFFAOYSA-N 1 2 375.447 -0.373 20 0 GBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NCC[N@H+](C)CCOC)cn1C ZINC000287579203 530254339 /nfs/dbraw/zinc/25/43/39/530254339.db2.gz YFVHNEIMKWXRAH-UHFFFAOYSA-N 1 2 375.447 -0.373 20 0 GBADLO CC(C)Nc1nc(N2CCN(c3nc(N)ns3)CC2)nc(NCCO)[nH+]1 ZINC000287895468 1072765776 /nfs/dbraw/zinc/76/57/76/1072765776.db2.gz OVDMJQFLNJQCNI-UHFFFAOYSA-N 1 2 380.482 -0.144 20 0 GBADLO O=C(C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)N1CCNC(=O)C1 ZINC000288001015 530254532 /nfs/dbraw/zinc/25/45/32/530254532.db2.gz KKHPHCLSZQEADG-UHFFFAOYSA-N 1 2 386.499 -0.551 20 0 GBADLO CC(=O)Nc1ncc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000288058819 530254549 /nfs/dbraw/zinc/25/45/49/530254549.db2.gz IUAKLZNAZKAYIW-UHFFFAOYSA-N 1 2 389.503 -0.114 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc2c(n1)CCCC2 ZINC000288146835 1072769358 /nfs/dbraw/zinc/76/93/58/1072769358.db2.gz YTPAPDAQVNQFNF-QGZVFWFLSA-N 1 2 390.484 -0.272 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000288170165 1072316560 /nfs/dbraw/zinc/31/65/60/1072316560.db2.gz KVGCQEBBZLVENI-KSZLIROESA-N 1 2 391.468 -0.216 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCn1cc(Br)cn1 ZINC000288296819 530255017 /nfs/dbraw/zinc/25/50/17/530255017.db2.gz WWNRVDHLBRKRKX-CYBMUJFWSA-N 1 2 390.282 -0.020 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCn1cc(Br)cn1 ZINC000288296833 530254992 /nfs/dbraw/zinc/25/49/92/530254992.db2.gz WWNRVDHLBRKRKX-ZDUSSCGKSA-N 1 2 390.282 -0.020 20 0 GBADLO CC[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)N1CCOCC1 ZINC000288375066 1072771764 /nfs/dbraw/zinc/77/17/64/1072771764.db2.gz XJBRALGZNUTOLQ-KGLIPLIRSA-N 1 2 377.445 -0.131 20 0 GBADLO CC[C@H](NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(=O)N1CCOCC1 ZINC000288412637 1072772948 /nfs/dbraw/zinc/77/29/48/1072772948.db2.gz ZKAYUOWQOAULFS-AWEZNQCLSA-N 1 2 377.445 -0.131 20 0 GBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cn1 ZINC000288458933 1072773779 /nfs/dbraw/zinc/77/37/79/1072773779.db2.gz ISGWNDXCZWWCRX-TZMCWYRMSA-N 1 2 385.428 -0.229 20 0 GBADLO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CCNC(=O)C3)[nH+]c12 ZINC000288601763 530255705 /nfs/dbraw/zinc/25/57/05/530255705.db2.gz PPZAEYKODQNVKY-UHFFFAOYSA-N 1 2 394.229 -0.020 20 0 GBADLO CN(C)S(=O)(=O)NCCNc1[nH+]cnc2c1c(Br)nn2C ZINC000288826810 530256052 /nfs/dbraw/zinc/25/60/52/530256052.db2.gz BGLFGBRVSJQXFY-UHFFFAOYSA-N 1 2 378.256 -0.066 20 0 GBADLO Cn1c(N)c(C(=O)C[N@@H+](C)CCn2cc(Br)cn2)c(=O)n(C)c1=O ZINC000288838427 530255810 /nfs/dbraw/zinc/25/58/10/530255810.db2.gz OJIHGXCKGGYGQG-UHFFFAOYSA-N 1 2 399.249 -0.560 20 0 GBADLO Cn1c(N)c(C(=O)C[N@H+](C)CCn2cc(Br)cn2)c(=O)n(C)c1=O ZINC000288838427 530255808 /nfs/dbraw/zinc/25/58/08/530255808.db2.gz OJIHGXCKGGYGQG-UHFFFAOYSA-N 1 2 399.249 -0.560 20 0 GBADLO CC[NH+]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000288883575 530256104 /nfs/dbraw/zinc/25/61/04/530256104.db2.gz SOOKZXWLQCHKLZ-UHFFFAOYSA-N 1 2 388.515 -0.385 20 0 GBADLO Cn1nc(Br)c2c1nc[nH+]c2NCCOCCS(N)(=O)=O ZINC000289104018 530256376 /nfs/dbraw/zinc/25/63/76/530256376.db2.gz KWSFMWQIICAVCR-UHFFFAOYSA-N 1 2 379.240 -0.157 20 0 GBADLO Cc1csc([C@H](C)CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000289206916 1072797756 /nfs/dbraw/zinc/79/77/56/1072797756.db2.gz UZECAVZECSVXCK-OCCSQVGLSA-N 1 2 384.502 -0.177 20 0 GBADLO C[C@H](O)C[N@@H+](CCO)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000289359595 530256365 /nfs/dbraw/zinc/25/63/65/530256365.db2.gz AANFVNDBVQYTSV-KBPBESRZSA-N 1 2 390.527 -0.061 20 0 GBADLO C[C@H](O)C[N@H+](CCO)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000289359595 530256363 /nfs/dbraw/zinc/25/63/63/530256363.db2.gz AANFVNDBVQYTSV-KBPBESRZSA-N 1 2 390.527 -0.061 20 0 GBADLO C[C@@H](O)C[N@@H+](CCO)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000289359598 530256396 /nfs/dbraw/zinc/25/63/96/530256396.db2.gz AANFVNDBVQYTSV-KGLIPLIRSA-N 1 2 390.527 -0.061 20 0 GBADLO C[C@@H](O)C[N@H+](CCO)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000289359598 530256395 /nfs/dbraw/zinc/25/63/95/530256395.db2.gz AANFVNDBVQYTSV-KGLIPLIRSA-N 1 2 390.527 -0.061 20 0 GBADLO C[C@H](O)C[N@@H+](CCO)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000289359600 530256386 /nfs/dbraw/zinc/25/63/86/530256386.db2.gz AANFVNDBVQYTSV-UONOGXRCSA-N 1 2 390.527 -0.061 20 0 GBADLO C[C@H](O)C[N@H+](CCO)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000289359600 530256385 /nfs/dbraw/zinc/25/63/85/530256385.db2.gz AANFVNDBVQYTSV-UONOGXRCSA-N 1 2 390.527 -0.061 20 0 GBADLO C[C@@H](O)C[N@@H+](CCO)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000289359604 530256475 /nfs/dbraw/zinc/25/64/75/530256475.db2.gz AANFVNDBVQYTSV-ZIAGYGMSSA-N 1 2 390.527 -0.061 20 0 GBADLO C[C@@H](O)C[N@H+](CCO)CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000289359604 530256472 /nfs/dbraw/zinc/25/64/72/530256472.db2.gz AANFVNDBVQYTSV-ZIAGYGMSSA-N 1 2 390.527 -0.061 20 0 GBADLO CNS(=O)(=O)N1CC[NH+](CCN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000289439881 530256776 /nfs/dbraw/zinc/25/67/76/530256776.db2.gz WKPBBOWYNAAIAN-UHFFFAOYSA-N 1 2 390.531 -0.470 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289505858 1072809733 /nfs/dbraw/zinc/80/97/33/1072809733.db2.gz UOFJZHPYHVFVDE-GHMZBOCLSA-N 1 2 394.457 -0.048 20 0 GBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290542953 1072834786 /nfs/dbraw/zinc/83/47/86/1072834786.db2.gz OONOYUDHAHVSSM-HZPDHXFCSA-N 1 2 375.473 -0.044 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290698698 1072839240 /nfs/dbraw/zinc/83/92/40/1072839240.db2.gz WOCCGQQJVCBTDJ-UONOGXRCSA-N 1 2 395.485 -0.683 20 0 GBADLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)S1 ZINC000290825055 530259181 /nfs/dbraw/zinc/25/91/81/530259181.db2.gz MMLHSGFPHFSESM-GFCCVEGCSA-N 1 2 383.499 -0.005 20 0 GBADLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)S1 ZINC000290825069 530258855 /nfs/dbraw/zinc/25/88/55/530258855.db2.gz MMLHSGFPHFSESM-LBPRGKRZSA-N 1 2 383.499 -0.005 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000290868036 530258861 /nfs/dbraw/zinc/25/88/61/530258861.db2.gz LBZFSAPYNFLGLZ-UHFFFAOYSA-N 1 2 393.516 -0.333 20 0 GBADLO COc1ncccc1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000290873076 1072845334 /nfs/dbraw/zinc/84/53/34/1072845334.db2.gz DYVCRBZKWSMVKQ-MRXNPFEDSA-N 1 2 376.457 -0.070 20 0 GBADLO CN(C)S(=O)(=O)CCNc1cc(NCCS(=O)(=O)N(C)C)[nH+]cn1 ZINC000290894053 530259581 /nfs/dbraw/zinc/25/95/81/530259581.db2.gz UILZARVHZSDOCR-UHFFFAOYSA-N 1 2 380.496 -0.917 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCCC[N@H+]1CCNC(=O)C1 ZINC000291091491 530259609 /nfs/dbraw/zinc/25/96/09/530259609.db2.gz QOIIILGOQZPHEB-UHFFFAOYSA-N 1 2 388.877 -0.444 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000291091491 530259608 /nfs/dbraw/zinc/25/96/08/530259608.db2.gz QOIIILGOQZPHEB-UHFFFAOYSA-N 1 2 388.877 -0.444 20 0 GBADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000291325958 1072859537 /nfs/dbraw/zinc/85/95/37/1072859537.db2.gz PXXVSZWZOADBPR-HNNXBMFYSA-N 1 2 395.485 -0.961 20 0 GBADLO C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292123820 530260510 /nfs/dbraw/zinc/26/05/10/530260510.db2.gz IFHHTYWWGHSPCO-GFCCVEGCSA-N 1 2 390.487 -0.762 20 0 GBADLO C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292123820 530260508 /nfs/dbraw/zinc/26/05/08/530260508.db2.gz IFHHTYWWGHSPCO-GFCCVEGCSA-N 1 2 390.487 -0.762 20 0 GBADLO C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292123824 530260476 /nfs/dbraw/zinc/26/04/76/530260476.db2.gz IFHHTYWWGHSPCO-LBPRGKRZSA-N 1 2 390.487 -0.762 20 0 GBADLO C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292123824 530260474 /nfs/dbraw/zinc/26/04/74/530260474.db2.gz IFHHTYWWGHSPCO-LBPRGKRZSA-N 1 2 390.487 -0.762 20 0 GBADLO C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292296517 530260760 /nfs/dbraw/zinc/26/07/60/530260760.db2.gz UOGKDAIECFWMMH-GFCCVEGCSA-N 1 2 390.487 -0.762 20 0 GBADLO C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292296517 530260756 /nfs/dbraw/zinc/26/07/56/530260756.db2.gz UOGKDAIECFWMMH-GFCCVEGCSA-N 1 2 390.487 -0.762 20 0 GBADLO C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292296522 530260921 /nfs/dbraw/zinc/26/09/21/530260921.db2.gz UOGKDAIECFWMMH-LBPRGKRZSA-N 1 2 390.487 -0.762 20 0 GBADLO C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292296522 530260919 /nfs/dbraw/zinc/26/09/19/530260919.db2.gz UOGKDAIECFWMMH-LBPRGKRZSA-N 1 2 390.487 -0.762 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)cc[nH+]1 ZINC000292410912 1072876678 /nfs/dbraw/zinc/87/66/78/1072876678.db2.gz YNJSXWKUHDIMII-AWEZNQCLSA-N 1 2 386.456 -0.249 20 0 GBADLO COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[nH]1 ZINC000292840346 1072155998 /nfs/dbraw/zinc/15/59/98/1072155998.db2.gz YJINTZRWTQATCD-UHFFFAOYSA-N 1 2 399.473 -0.949 20 0 GBADLO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)[C@H]2C1 ZINC000292887148 530261436 /nfs/dbraw/zinc/26/14/36/530261436.db2.gz USDBWCDTWXGRBV-UONOGXRCSA-N 1 2 389.499 -0.031 20 0 GBADLO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)[C@H]2C1 ZINC000292887148 530261435 /nfs/dbraw/zinc/26/14/35/530261435.db2.gz USDBWCDTWXGRBV-UONOGXRCSA-N 1 2 389.499 -0.031 20 0 GBADLO Cn1ncc(I)c1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000292929410 530261400 /nfs/dbraw/zinc/26/14/00/530261400.db2.gz WWEJJQMCZORBAW-SECBINFHSA-N 1 2 375.214 -0.246 20 0 GBADLO Cn1ncc(I)c1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000292929416 530261397 /nfs/dbraw/zinc/26/13/97/530261397.db2.gz WWEJJQMCZORBAW-VIFPVBQESA-N 1 2 375.214 -0.246 20 0 GBADLO CN(Cc1ccccc1S(N)(=O)=O)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000292996835 530261997 /nfs/dbraw/zinc/26/19/97/530261997.db2.gz NKYXTHCYQYUNIN-UHFFFAOYSA-N 1 2 391.515 -0.182 20 0 GBADLO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000293038348 530261684 /nfs/dbraw/zinc/26/16/84/530261684.db2.gz WXVKSMLVCVLQCG-HNNXBMFYSA-N 1 2 391.515 -0.343 20 0 GBADLO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000293038351 530261848 /nfs/dbraw/zinc/26/18/48/530261848.db2.gz WXVKSMLVCVLQCG-OAHLLOKOSA-N 1 2 391.515 -0.343 20 0 GBADLO CNC(=O)NCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000293213862 1072894896 /nfs/dbraw/zinc/89/48/96/1072894896.db2.gz RHHULXPFOXDMKC-UHFFFAOYSA-N 1 2 377.449 -0.719 20 0 GBADLO CNC(=O)NCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000293213862 1072894889 /nfs/dbraw/zinc/89/48/89/1072894889.db2.gz RHHULXPFOXDMKC-UHFFFAOYSA-N 1 2 377.449 -0.719 20 0 GBADLO CCCNS(=O)(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000293320288 530261648 /nfs/dbraw/zinc/26/16/48/530261648.db2.gz JBKDWADUBIEWBE-UHFFFAOYSA-N 1 2 390.531 -0.043 20 0 GBADLO Cn1ncc(I)c1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000293342509 530261791 /nfs/dbraw/zinc/26/17/91/530261791.db2.gz CXNHPVGWVMGRMT-UHFFFAOYSA-N 1 2 391.213 -0.424 20 0 GBADLO Cn1ncc(I)c1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000293342509 530261788 /nfs/dbraw/zinc/26/17/88/530261788.db2.gz CXNHPVGWVMGRMT-UHFFFAOYSA-N 1 2 391.213 -0.424 20 0 GBADLO Cn1ncc(C(=O)NCCC[N@H+]2CCNC(=O)C2)c1I ZINC000293588297 530261749 /nfs/dbraw/zinc/26/17/49/530261749.db2.gz RDZHIFSDBJKVRY-UHFFFAOYSA-N 1 2 391.213 -0.424 20 0 GBADLO Cn1ncc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c1I ZINC000293588297 530261747 /nfs/dbraw/zinc/26/17/47/530261747.db2.gz RDZHIFSDBJKVRY-UHFFFAOYSA-N 1 2 391.213 -0.424 20 0 GBADLO CNc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000293677859 1072217101 /nfs/dbraw/zinc/21/71/01/1072217101.db2.gz JCNHKGHTMHQJMP-UHFFFAOYSA-N 1 2 381.502 -0.022 20 0 GBADLO Cn1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1Cl ZINC000294221991 530262137 /nfs/dbraw/zinc/26/21/37/530262137.db2.gz DDRXWRVGOZBAHA-UHFFFAOYSA-N 1 2 390.897 -0.677 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000294473245 1072303558 /nfs/dbraw/zinc/30/35/58/1072303558.db2.gz WCQUGHWTWDSCIX-AWEZNQCLSA-N 1 2 382.490 -0.112 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000294473250 1072303092 /nfs/dbraw/zinc/30/30/92/1072303092.db2.gz WCQUGHWTWDSCIX-CQSZACIVSA-N 1 2 382.490 -0.112 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(Cc3cc(F)ncc3F)CC2)CC1 ZINC000294929389 530262751 /nfs/dbraw/zinc/26/27/51/530262751.db2.gz UJWULPJODDVDDE-UHFFFAOYSA-N 1 2 375.445 -0.030 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3cncc(Cl)c3)CC2)CC1 ZINC000294981631 530262825 /nfs/dbraw/zinc/26/28/25/530262825.db2.gz JVFXBLKVQSSVRI-UHFFFAOYSA-N 1 2 387.893 -0.015 20 0 GBADLO CN1CCC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1=O ZINC000295883435 1073875154 /nfs/dbraw/zinc/87/51/54/1073875154.db2.gz PSBYFFYPGTWLEK-HNNXBMFYSA-N 1 2 388.472 -0.170 20 0 GBADLO CN1CCC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1=O ZINC000295883435 1073875140 /nfs/dbraw/zinc/87/51/40/1073875140.db2.gz PSBYFFYPGTWLEK-HNNXBMFYSA-N 1 2 388.472 -0.170 20 0 GBADLO CN1CCC[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1=O ZINC000295883439 1073875853 /nfs/dbraw/zinc/87/58/53/1073875853.db2.gz PSBYFFYPGTWLEK-OAHLLOKOSA-N 1 2 388.472 -0.170 20 0 GBADLO CN1CCC[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1=O ZINC000295883439 1073875832 /nfs/dbraw/zinc/87/58/32/1073875832.db2.gz PSBYFFYPGTWLEK-OAHLLOKOSA-N 1 2 388.472 -0.170 20 0 GBADLO NC(=O)C1=NO[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000297351560 1072960156 /nfs/dbraw/zinc/96/01/56/1072960156.db2.gz TVUQBHLECJNZNC-JKSUJKDBSA-N 1 2 389.456 -0.141 20 0 GBADLO Cc1nc(CN2CCN(C(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)CC2)cs1 ZINC000297406836 1072960735 /nfs/dbraw/zinc/96/07/35/1072960735.db2.gz AISPOAUCTCVLOM-AWEZNQCLSA-N 1 2 395.529 -0.379 20 0 GBADLO CN(C)c1ccccc1CN(C)C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000297567633 1072963703 /nfs/dbraw/zinc/96/37/03/1072963703.db2.gz ATPXVEUHRIEIPM-QGZVFWFLSA-N 1 2 392.500 -0.138 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCc2ccc(F)cc2C1 ZINC000297614013 1072963345 /nfs/dbraw/zinc/96/33/45/1072963345.db2.gz GUYMAKYGIMUPOU-QGZVFWFLSA-N 1 2 379.432 -0.138 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000297810905 1072966022 /nfs/dbraw/zinc/96/60/22/1072966022.db2.gz KZUXDUTVXGOVCW-LSDHHAIUSA-N 1 2 377.441 -0.190 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000297964217 1072970873 /nfs/dbraw/zinc/97/08/73/1072970873.db2.gz VOFYLBVKSZMOPK-UHFFFAOYSA-N 1 2 390.488 -0.306 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN(Cc3ccncc3)CC2)CC1 ZINC000297968175 1072971172 /nfs/dbraw/zinc/97/11/72/1072971172.db2.gz XVHLCIHBILUHCU-UHFFFAOYSA-N 1 2 389.500 -0.094 20 0 GBADLO C[N@H+]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](c2ccccc2)C1 ZINC000297975507 1072970766 /nfs/dbraw/zinc/97/07/66/1072970766.db2.gz YPZFFEKADRHHRT-INIZCTEOSA-N 1 2 394.497 -0.395 20 0 GBADLO C[N@@H+]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](c2ccccc2)C1 ZINC000297975507 1072970751 /nfs/dbraw/zinc/97/07/51/1072970751.db2.gz YPZFFEKADRHHRT-INIZCTEOSA-N 1 2 394.497 -0.395 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCN(c3nc(C)cs3)CC2)CC1 ZINC000297982627 1072970728 /nfs/dbraw/zinc/97/07/28/1072970728.db2.gz YQIYPYUXOLBNDE-UHFFFAOYSA-N 1 2 381.502 -0.109 20 0 GBADLO NS(=O)(=O)N1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000298056846 530264526 /nfs/dbraw/zinc/26/45/26/530264526.db2.gz BNUOAWNSQSXCGE-UHFFFAOYSA-N 1 2 387.531 -0.787 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCN(S(N)(=O)=O)CC2)cc1 ZINC000298072541 530264538 /nfs/dbraw/zinc/26/45/38/530264538.db2.gz QHGUWLICQPGHBQ-UHFFFAOYSA-N 1 2 392.503 -0.863 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[NH+](CCO)CC2)[C@H](C)O)cc1 ZINC000298082795 1072973440 /nfs/dbraw/zinc/97/34/40/1072973440.db2.gz GRAWHRKUGFVZIO-GOEBONIOSA-N 1 2 385.486 -0.841 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(N)=O)c2)CC1 ZINC000298127555 530264896 /nfs/dbraw/zinc/26/48/96/530264896.db2.gz WOOAZCBYXOPGGC-UHFFFAOYSA-N 1 2 388.877 -0.119 20 0 GBADLO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000298147843 530264981 /nfs/dbraw/zinc/26/49/81/530264981.db2.gz LVRRAXQTFNJZJP-UHFFFAOYSA-N 1 2 392.275 -0.153 20 0 GBADLO COCC[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000298151039 530264909 /nfs/dbraw/zinc/26/49/09/530264909.db2.gz GQYQXAIMETZFTB-UHFFFAOYSA-N 1 2 391.515 -0.110 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c1 ZINC000298159102 530264829 /nfs/dbraw/zinc/26/48/29/530264829.db2.gz NYDNHIZQTXHSGA-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CC[NH+](CCO)CC1 ZINC000298177360 530264891 /nfs/dbraw/zinc/26/48/91/530264891.db2.gz WTERUSAQNYBKIO-UHFFFAOYSA-N 1 2 389.499 -0.481 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000298206431 530264858 /nfs/dbraw/zinc/26/48/58/530264858.db2.gz LIXYJFYMMYROPQ-UHFFFAOYSA-N 1 2 377.488 -0.405 20 0 GBADLO C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 ZINC000298256757 1072976904 /nfs/dbraw/zinc/97/69/04/1072976904.db2.gz LZZHXDLSVAKHQQ-UHFFFAOYSA-N 1 2 392.431 -0.351 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3cn[nH]c(=O)c3Cl)CC2)CC1 ZINC000298282465 530265356 /nfs/dbraw/zinc/26/53/56/530265356.db2.gz GIYAMLMKSWXOCE-UHFFFAOYSA-N 1 2 376.870 -0.963 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)CC1 ZINC000298294860 530265220 /nfs/dbraw/zinc/26/52/20/530265220.db2.gz JSJJVSIIZUZPFX-UHFFFAOYSA-N 1 2 375.886 -0.674 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CCS(C)(=O)=O)cc2)CC1 ZINC000298312643 530265101 /nfs/dbraw/zinc/26/51/01/530265101.db2.gz WLNSEZCBEBJHRM-UHFFFAOYSA-N 1 2 389.499 -0.004 20 0 GBADLO Cc1cn2nc(N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)sc2n1 ZINC000298315746 530265329 /nfs/dbraw/zinc/26/53/29/530265329.db2.gz QFPXKDQJFRFWQB-UHFFFAOYSA-N 1 2 385.519 -0.287 20 0 GBADLO Cc1cccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1O ZINC000298430074 1072700730 /nfs/dbraw/zinc/70/07/30/1072700730.db2.gz JBMYDRDZMISOCJ-UHFFFAOYSA-N 1 2 382.486 -0.049 20 0 GBADLO Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000298458515 1072701768 /nfs/dbraw/zinc/70/17/68/1072701768.db2.gz MRKBKQGVZWXBKP-UHFFFAOYSA-N 1 2 384.506 -0.713 20 0 GBADLO CC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n(C)c1 ZINC000298470946 1072702464 /nfs/dbraw/zinc/70/24/64/1072702464.db2.gz QBCRXGWWRWFAJZ-UHFFFAOYSA-N 1 2 397.501 -0.522 20 0 GBADLO Cc1cc(C)n(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000298477211 1072702724 /nfs/dbraw/zinc/70/27/24/1072702724.db2.gz PMWFYMJDXPNOCJ-UHFFFAOYSA-N 1 2 384.506 -0.864 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)CC2)sc1C ZINC000298555964 1072982593 /nfs/dbraw/zinc/98/25/93/1072982593.db2.gz FKNLFKCKBNIXAF-ZDUSSCGKSA-N 1 2 395.529 -0.066 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN(c3cccnn3)CC2)C[C@H](C)O1 ZINC000298625363 1072983739 /nfs/dbraw/zinc/98/37/39/1072983739.db2.gz JHTWOVLORTZUMA-IYBDPMFKSA-N 1 2 390.488 -0.307 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN(c3cccnn3)CC2)C[C@H](C)O1 ZINC000298625363 1072983735 /nfs/dbraw/zinc/98/37/35/1072983735.db2.gz JHTWOVLORTZUMA-IYBDPMFKSA-N 1 2 390.488 -0.307 20 0 GBADLO Cc1n[nH]cc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000298672347 1072984685 /nfs/dbraw/zinc/98/46/85/1072984685.db2.gz JREPIHAWGRAOKK-UHFFFAOYSA-N 1 2 385.494 -0.962 20 0 GBADLO COCCC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000298708429 530266284 /nfs/dbraw/zinc/26/62/84/530266284.db2.gz KBNOLVFXLFATSR-UHFFFAOYSA-N 1 2 377.488 -0.323 20 0 GBADLO CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000298720210 1072768870 /nfs/dbraw/zinc/76/88/70/1072768870.db2.gz CYYOZQBRMWRWJO-UHFFFAOYSA-N 1 2 384.506 -0.217 20 0 GBADLO Cc1csc(N2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)n1 ZINC000298733602 530266248 /nfs/dbraw/zinc/26/62/48/530266248.db2.gz HQHQFFRWFBDELF-UHFFFAOYSA-N 1 2 389.547 -0.029 20 0 GBADLO C[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000298744439 530266070 /nfs/dbraw/zinc/26/60/70/530266070.db2.gz ZPCOYWCDKSXDIR-UHFFFAOYSA-N 1 2 394.906 -0.349 20 0 GBADLO C[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000298744439 530266068 /nfs/dbraw/zinc/26/60/68/530266068.db2.gz ZPCOYWCDKSXDIR-UHFFFAOYSA-N 1 2 394.906 -0.349 20 0 GBADLO COc1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000298850131 1072987275 /nfs/dbraw/zinc/98/72/75/1072987275.db2.gz KQRAFLJHEGCPER-MRXNPFEDSA-N 1 2 393.425 -0.075 20 0 GBADLO Cc1ccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000298923275 1072777400 /nfs/dbraw/zinc/77/74/00/1072777400.db2.gz GOIXAJWYKASKJM-UHFFFAOYSA-N 1 2 381.502 -0.431 20 0 GBADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000298960425 1072989495 /nfs/dbraw/zinc/98/94/95/1072989495.db2.gz RACSNKCVZDDIOI-UHFFFAOYSA-N 1 2 384.440 -0.040 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NCc3nccs3)CC2)CC1 ZINC000299039461 530266847 /nfs/dbraw/zinc/26/68/47/530266847.db2.gz ZQXITFCRYWYPEA-UHFFFAOYSA-N 1 2 388.519 -0.538 20 0 GBADLO CC(=O)N1CC[NH+](CCNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000299073235 530266829 /nfs/dbraw/zinc/26/68/29/530266829.db2.gz GKWWOKZRWSXVAP-UHFFFAOYSA-N 1 2 396.249 -0.219 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CCc3nccs3)CC2)CC1 ZINC000299083881 530117851 /nfs/dbraw/zinc/11/78/51/530117851.db2.gz KBKUOINBULWBMN-UHFFFAOYSA-N 1 2 387.531 -0.288 20 0 GBADLO CCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000299097251 530267024 /nfs/dbraw/zinc/26/70/24/530267024.db2.gz LEIJXBFSLOHWDH-UHFFFAOYSA-N 1 2 389.499 -0.004 20 0 GBADLO COc1ccnc(N2CC[NH+]([C@H](C)C(=O)N3CCC(C(N)=O)CC3)CC2)n1 ZINC000299112388 1072991699 /nfs/dbraw/zinc/99/16/99/1072991699.db2.gz BIIHZERREXBWHJ-CYBMUJFWSA-N 1 2 376.461 -0.280 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CCS(C)(=O)=O)c2)CC1 ZINC000299140190 530267175 /nfs/dbraw/zinc/26/71/75/530267175.db2.gz SJDJXCDJDWEMRN-UHFFFAOYSA-N 1 2 389.499 -0.004 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CS(C)(=O)=O)c2)CC1 ZINC000299171836 530267415 /nfs/dbraw/zinc/26/74/15/530267415.db2.gz VIISNQBIVUUHLQ-UHFFFAOYSA-N 1 2 375.472 -0.394 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CCc3cscn3)CC2)CC1 ZINC000299290620 530118842 /nfs/dbraw/zinc/11/88/42/530118842.db2.gz SRPOPKIWCAQRCQ-UHFFFAOYSA-N 1 2 387.531 -0.288 20 0 GBADLO Cc1ccc(C(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000299336991 1072791249 /nfs/dbraw/zinc/79/12/49/1072791249.db2.gz IKKWXGOXSGSNAL-UHFFFAOYSA-N 1 2 394.497 -0.186 20 0 GBADLO O=C(NCC[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000299377898 530267420 /nfs/dbraw/zinc/26/74/20/530267420.db2.gz OWHZDUNCXWFHBN-UHFFFAOYSA-N 1 2 388.515 -0.186 20 0 GBADLO NC(=O)Nc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000299400056 1072995432 /nfs/dbraw/zinc/99/54/32/1072995432.db2.gz MQFXUSHYWSRITP-HNNXBMFYSA-N 1 2 389.456 -0.026 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000299437051 1072997144 /nfs/dbraw/zinc/99/71/44/1072997144.db2.gz RAUOUBUCGJQVMD-HNNXBMFYSA-N 1 2 383.470 -0.232 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000299437051 1072997136 /nfs/dbraw/zinc/99/71/36/1072997136.db2.gz RAUOUBUCGJQVMD-HNNXBMFYSA-N 1 2 383.470 -0.232 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc(Cl)n3)CC2)CC1 ZINC000299615913 530268085 /nfs/dbraw/zinc/26/80/85/530268085.db2.gz SVPHQKASKJHAPT-UHFFFAOYSA-N 1 2 387.893 -0.015 20 0 GBADLO CN(C)c1cc(C(F)(F)F)nc(N2CC[NH+](CCS(N)(=O)=O)CC2)n1 ZINC000301414837 530299376 /nfs/dbraw/zinc/29/93/76/530299376.db2.gz ANXAPVUOCZRPAZ-UHFFFAOYSA-N 1 2 382.412 -0.028 20 0 GBADLO NS(=O)(=O)CC[NH+]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000301482473 530299267 /nfs/dbraw/zinc/29/92/67/530299267.db2.gz XFSLSECWLAQZBQ-UHFFFAOYSA-N 1 2 379.368 -0.446 20 0 GBADLO Cc1cc2c(N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nccn2n1 ZINC000302319909 1073508430 /nfs/dbraw/zinc/50/84/30/1073508430.db2.gz QZLCWLHRKGHORT-UHFFFAOYSA-N 1 2 379.490 -0.348 20 0 GBADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000325041632 530298826 /nfs/dbraw/zinc/29/88/26/530298826.db2.gz MNGUCVOPUTUCQY-UHFFFAOYSA-N 1 2 377.488 -0.589 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000326958332 530284234 /nfs/dbraw/zinc/28/42/34/530284234.db2.gz PQPYUYRLNBPTBS-UHFFFAOYSA-N 1 2 391.515 -0.328 20 0 GBADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000327175032 530285529 /nfs/dbraw/zinc/28/55/29/530285529.db2.gz WTBDYCNIVYNNEQ-UHFFFAOYSA-N 1 2 377.463 -0.703 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[NH+](CCC(=O)OC)CC1 ZINC000327271913 530286209 /nfs/dbraw/zinc/28/62/09/530286209.db2.gz XVVCIYFAVFNLRY-CYBMUJFWSA-N 1 2 377.463 -0.561 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](CCC(=O)OC)CC1 ZINC000327271916 530286180 /nfs/dbraw/zinc/28/61/80/530286180.db2.gz XVVCIYFAVFNLRY-ZDUSSCGKSA-N 1 2 377.463 -0.561 20 0 GBADLO CO[C@H]1C[C@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)N(C(C)=O)C1 ZINC000328613675 1073131721 /nfs/dbraw/zinc/13/17/21/1073131721.db2.gz QNKSWGQXVQGDBT-DLBZAZTESA-N 1 2 380.489 -0.221 20 0 GBADLO CO[C@H]1C[C@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)N(C(C)=O)C1 ZINC000328613675 1073131718 /nfs/dbraw/zinc/13/17/18/1073131718.db2.gz QNKSWGQXVQGDBT-DLBZAZTESA-N 1 2 380.489 -0.221 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)COc3ccsc3)CC2)CC1 ZINC000328661525 530272829 /nfs/dbraw/zinc/27/28/29/530272829.db2.gz WTHPWPDAZVHRTB-UHFFFAOYSA-N 1 2 388.515 -0.237 20 0 GBADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000328666405 1073133219 /nfs/dbraw/zinc/13/32/19/1073133219.db2.gz CWMTYJWPHUTSTJ-DLBZAZTESA-N 1 2 393.484 -0.094 20 0 GBADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000328666406 1073132997 /nfs/dbraw/zinc/13/29/97/1073132997.db2.gz CWMTYJWPHUTSTJ-IAGOWNOFSA-N 1 2 393.484 -0.094 20 0 GBADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000328666407 1073133391 /nfs/dbraw/zinc/13/33/91/1073133391.db2.gz CWMTYJWPHUTSTJ-IRXDYDNUSA-N 1 2 393.484 -0.094 20 0 GBADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000328666408 1073133211 /nfs/dbraw/zinc/13/32/11/1073133211.db2.gz CWMTYJWPHUTSTJ-SJORKVTESA-N 1 2 393.484 -0.094 20 0 GBADLO CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000328669326 1072298240 /nfs/dbraw/zinc/29/82/40/1072298240.db2.gz FQFRIMVODHWUPN-UHFFFAOYSA-N 1 2 385.490 -0.205 20 0 GBADLO Cn1c2ncn(CCC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2c(=O)n(C)c1=O ZINC000328676704 1073134291 /nfs/dbraw/zinc/13/42/91/1073134291.db2.gz AFNGQUQXXOTTAA-UHFFFAOYSA-N 1 2 385.428 -0.047 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)cn1C ZINC000328677650 1073134017 /nfs/dbraw/zinc/13/40/17/1073134017.db2.gz MBQHFSMJGHASAW-UHFFFAOYSA-N 1 2 399.517 -0.328 20 0 GBADLO Cc1cc(NC(=O)CN2CC[NH+](CCN3C(=O)NC(C)(C)C3=O)CC2)no1 ZINC000328693575 1072400439 /nfs/dbraw/zinc/40/04/39/1072400439.db2.gz SGQWUTSLEZQFBD-UHFFFAOYSA-N 1 2 378.433 0.074 20 0 GBADLO Cc1nc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)sc1S(N)(=O)=O ZINC000328733853 530177197 /nfs/dbraw/zinc/17/71/97/530177197.db2.gz HZNOJTOZGKCPQY-UHFFFAOYSA-N 1 2 387.531 0.455 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000328737210 1072465335 /nfs/dbraw/zinc/46/53/35/1072465335.db2.gz LPZRTHMIKGXLOM-AWEZNQCLSA-N 1 2 399.517 -0.240 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000328737211 1072465371 /nfs/dbraw/zinc/46/53/71/1072465371.db2.gz LPZRTHMIKGXLOM-CQSZACIVSA-N 1 2 399.517 -0.240 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000328746686 1073135651 /nfs/dbraw/zinc/13/56/51/1073135651.db2.gz PUHXVSZQJAOSBP-GASCZTMLSA-N 1 2 385.490 -0.229 20 0 GBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000328746687 1073135645 /nfs/dbraw/zinc/13/56/45/1073135645.db2.gz PUHXVSZQJAOSBP-GJZGRUSLSA-N 1 2 385.490 -0.229 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C[C@@H](C)O1 ZINC000328746688 1073135627 /nfs/dbraw/zinc/13/56/27/1073135627.db2.gz PUHXVSZQJAOSBP-HUUCEWRRSA-N 1 2 385.490 -0.229 20 0 GBADLO C[C@@H]1CC(=O)N[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000328749950 1073136140 /nfs/dbraw/zinc/13/61/40/1073136140.db2.gz MNYCDHXKXAXPEY-KBPBESRZSA-N 1 2 387.506 -0.622 20 0 GBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000328752014 1073135621 /nfs/dbraw/zinc/13/56/21/1073135621.db2.gz CRPKUXNCWFWXGH-HNNXBMFYSA-N 1 2 388.534 -0.315 20 0 GBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000328752015 1073135654 /nfs/dbraw/zinc/13/56/54/1073135654.db2.gz CRPKUXNCWFWXGH-OAHLLOKOSA-N 1 2 388.534 -0.315 20 0 GBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000328752313 1073136040 /nfs/dbraw/zinc/13/60/40/1073136040.db2.gz CUHWVRKTIDEKSG-HNNXBMFYSA-N 1 2 381.502 -0.179 20 0 GBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000328752316 1073135820 /nfs/dbraw/zinc/13/58/20/1073135820.db2.gz CUHWVRKTIDEKSG-OAHLLOKOSA-N 1 2 381.502 -0.179 20 0 GBADLO Cc1csc(=O)n1CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000328752615 530087286 /nfs/dbraw/zinc/08/72/86/530087286.db2.gz ROFVCIAZTWQTNW-UHFFFAOYSA-N 1 2 389.547 -0.672 20 0 GBADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000328784426 1073137775 /nfs/dbraw/zinc/13/77/75/1073137775.db2.gz NWTBJMFIVZUPNW-JTQLQIEISA-N 1 2 390.425 -0.054 20 0 GBADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000328784427 1073137622 /nfs/dbraw/zinc/13/76/22/1073137622.db2.gz NWTBJMFIVZUPNW-SNVBAGLBSA-N 1 2 390.425 -0.054 20 0 GBADLO CCn1nc(C)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000328788140 1073137718 /nfs/dbraw/zinc/13/77/18/1073137718.db2.gz PFJCDRDNXBBKGC-UHFFFAOYSA-N 1 2 398.533 -0.230 20 0 GBADLO CO[C@H]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000328788473 1073137872 /nfs/dbraw/zinc/13/78/72/1073137872.db2.gz XSTPKPWTEPCROZ-CVEARBPZSA-N 1 2 388.534 -0.172 20 0 GBADLO CO[C@H]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000328788474 1073137752 /nfs/dbraw/zinc/13/77/52/1073137752.db2.gz XSTPKPWTEPCROZ-HOTGVXAUSA-N 1 2 388.534 -0.172 20 0 GBADLO CO[C@@H]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000328788475 1073137854 /nfs/dbraw/zinc/13/78/54/1073137854.db2.gz XSTPKPWTEPCROZ-HZPDHXFCSA-N 1 2 388.534 -0.172 20 0 GBADLO CO[C@@H]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000328788476 1073137836 /nfs/dbraw/zinc/13/78/36/1073137836.db2.gz XSTPKPWTEPCROZ-JKSUJKDBSA-N 1 2 388.534 -0.172 20 0 GBADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000328796759 530273222 /nfs/dbraw/zinc/27/32/22/530273222.db2.gz VDEVONZVEFHTKR-GFCCVEGCSA-N 1 2 377.492 -0.969 20 0 GBADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000328796760 530273572 /nfs/dbraw/zinc/27/35/72/530273572.db2.gz VDEVONZVEFHTKR-LBPRGKRZSA-N 1 2 377.492 -0.969 20 0 GBADLO CS(=O)(=O)C1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCOCC1 ZINC000328798065 1073137502 /nfs/dbraw/zinc/13/75/02/1073137502.db2.gz FTVRQKFIYRHFDD-UHFFFAOYSA-N 1 2 387.502 -0.653 20 0 GBADLO O=C([C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1)N1CCN(CCO)CC1 ZINC000328804640 1073136924 /nfs/dbraw/zinc/13/69/24/1073136924.db2.gz KJPQDYZBXXRNIG-QZTJIDSGSA-N 1 2 396.532 -0.934 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C[C@H](C)O1 ZINC000328806584 1073136690 /nfs/dbraw/zinc/13/66/90/1073136690.db2.gz DIEHGDUPSHHNSK-GASCZTMLSA-N 1 2 399.517 -0.149 20 0 GBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C[C@H](C)O1 ZINC000328806585 1073136539 /nfs/dbraw/zinc/13/65/39/1073136539.db2.gz DIEHGDUPSHHNSK-GJZGRUSLSA-N 1 2 399.517 -0.149 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C[C@@H](C)O1 ZINC000328806587 1073136912 /nfs/dbraw/zinc/13/69/12/1073136912.db2.gz DIEHGDUPSHHNSK-HUUCEWRRSA-N 1 2 399.517 -0.149 20 0 GBADLO Cn1nccc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328814990 1072168867 /nfs/dbraw/zinc/16/88/67/1072168867.db2.gz GETXBFMPPNTXLP-AWEZNQCLSA-N 1 2 385.472 -0.003 20 0 GBADLO Cn1nccc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328814991 1072168945 /nfs/dbraw/zinc/16/89/45/1072168945.db2.gz GETXBFMPPNTXLP-CQSZACIVSA-N 1 2 385.472 -0.003 20 0 GBADLO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)CC3CCS(=O)(=O)CC3)[C@H]2C1 ZINC000328854460 530273430 /nfs/dbraw/zinc/27/34/30/530273430.db2.gz SXZUBMBWRUIRNJ-LSDHHAIUSA-N 1 2 380.532 -0.064 20 0 GBADLO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)CC3CCS(=O)(=O)CC3)[C@H]2C1 ZINC000328854460 530273428 /nfs/dbraw/zinc/27/34/28/530273428.db2.gz SXZUBMBWRUIRNJ-LSDHHAIUSA-N 1 2 380.532 -0.064 20 0 GBADLO O=C(CN1CC[N@@H+](CC(=O)N2CCOCC2)[C@@H]2CCCC[C@H]21)N1CCOCC1 ZINC000328866307 1073139533 /nfs/dbraw/zinc/13/95/33/1073139533.db2.gz NTTORRKNDCBTIP-QZTJIDSGSA-N 1 2 394.516 -0.367 20 0 GBADLO O=C(CN1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]2CCCC[C@H]21)N1CCOCC1 ZINC000328866307 1073139524 /nfs/dbraw/zinc/13/95/24/1073139524.db2.gz NTTORRKNDCBTIP-QZTJIDSGSA-N 1 2 394.516 -0.367 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000328866831 1073139346 /nfs/dbraw/zinc/13/93/46/1073139346.db2.gz BZXLVCXLQMEECL-GRDNDAEWSA-N 1 2 379.461 -0.909 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000328866838 1073139654 /nfs/dbraw/zinc/13/96/54/1073139654.db2.gz BZXLVCXLQMEECL-JJRVBVJISA-N 1 2 379.461 -0.909 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000328866840 1073139670 /nfs/dbraw/zinc/13/96/70/1073139670.db2.gz BZXLVCXLQMEECL-VBQJREDUSA-N 1 2 379.461 -0.909 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000328866842 1073139587 /nfs/dbraw/zinc/13/95/87/1073139587.db2.gz BZXLVCXLQMEECL-ZQIUZPCESA-N 1 2 379.461 -0.909 20 0 GBADLO O=C(CN1CC[N@@H+](CC(=O)N2CCNC2=O)[C@@H]2CCCC[C@H]21)N1CCNC1=O ZINC000328877483 1073140196 /nfs/dbraw/zinc/14/01/96/1073140196.db2.gz UBMFDEALGGNKIF-ZIAGYGMSSA-N 1 2 392.460 -0.572 20 0 GBADLO O=C(CN1CC[N@H+](CC(=O)N2CCNC2=O)[C@@H]2CCCC[C@H]21)N1CCNC1=O ZINC000328877483 1073140193 /nfs/dbraw/zinc/14/01/93/1073140193.db2.gz UBMFDEALGGNKIF-ZIAGYGMSSA-N 1 2 392.460 -0.572 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CCC3CC3)CC2)CC1 ZINC000328877672 530273515 /nfs/dbraw/zinc/27/35/15/530273515.db2.gz IQYSGMZOQLVZJJ-UHFFFAOYSA-N 1 2 380.536 -0.774 20 0 GBADLO Cc1c(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnn1C ZINC000328889400 1073140259 /nfs/dbraw/zinc/14/02/59/1073140259.db2.gz QMIKJUUACDYISQ-UHFFFAOYSA-N 1 2 398.533 -0.702 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CC3CCC3)CC2)CC1 ZINC000328898178 530273533 /nfs/dbraw/zinc/27/35/33/530273533.db2.gz XZYUCQKPOPCBSR-UHFFFAOYSA-N 1 2 380.536 -0.774 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000328906866 1073142974 /nfs/dbraw/zinc/14/29/74/1073142974.db2.gz BSNAMZFBBJOSQW-KRWDZBQOSA-N 1 2 397.497 -0.008 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000328906867 1073142875 /nfs/dbraw/zinc/14/28/75/1073142875.db2.gz BSNAMZFBBJOSQW-QGZVFWFLSA-N 1 2 397.497 -0.008 20 0 GBADLO O=S(=O)([C@H]1CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000328907365 530273443 /nfs/dbraw/zinc/27/34/43/530273443.db2.gz LMDMYPACPXDZRG-CABCVRRESA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@H]1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000328907365 530273440 /nfs/dbraw/zinc/27/34/40/530273440.db2.gz LMDMYPACPXDZRG-CABCVRRESA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@H]1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000328907366 530273360 /nfs/dbraw/zinc/27/33/60/530273360.db2.gz LMDMYPACPXDZRG-GJZGRUSLSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000328907366 530273357 /nfs/dbraw/zinc/27/33/57/530273357.db2.gz LMDMYPACPXDZRG-GJZGRUSLSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000328907367 530273397 /nfs/dbraw/zinc/27/33/97/530273397.db2.gz LMDMYPACPXDZRG-HUUCEWRRSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000328907367 530273396 /nfs/dbraw/zinc/27/33/96/530273396.db2.gz LMDMYPACPXDZRG-HUUCEWRRSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000328907368 530273621 /nfs/dbraw/zinc/27/36/21/530273621.db2.gz LMDMYPACPXDZRG-LSDHHAIUSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000328907368 530273619 /nfs/dbraw/zinc/27/36/19/530273619.db2.gz LMDMYPACPXDZRG-LSDHHAIUSA-N 1 2 380.532 -0.062 20 0 GBADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000328910494 1073143024 /nfs/dbraw/zinc/14/30/24/1073143024.db2.gz FQJXXHPOESOZFS-AWEZNQCLSA-N 1 2 383.474 -0.833 20 0 GBADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000328910495 1073143123 /nfs/dbraw/zinc/14/31/23/1073143123.db2.gz FQJXXHPOESOZFS-CQSZACIVSA-N 1 2 383.474 -0.833 20 0 GBADLO CCOC1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCC1 ZINC000328911543 1073142918 /nfs/dbraw/zinc/14/29/18/1073142918.db2.gz OGVZSHMSXZHYHU-UHFFFAOYSA-N 1 2 388.534 -0.028 20 0 GBADLO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000328915652 1073143158 /nfs/dbraw/zinc/14/31/58/1073143158.db2.gz QWMYIJWFNYPYJN-BBWFWOEESA-N 1 2 385.530 -0.039 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000328915652 1073143149 /nfs/dbraw/zinc/14/31/49/1073143149.db2.gz QWMYIJWFNYPYJN-BBWFWOEESA-N 1 2 385.530 -0.039 20 0 GBADLO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000328915653 1073142952 /nfs/dbraw/zinc/14/29/52/1073142952.db2.gz QWMYIJWFNYPYJN-BRWVUGGUSA-N 1 2 385.530 -0.039 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000328915653 1073142946 /nfs/dbraw/zinc/14/29/46/1073142946.db2.gz QWMYIJWFNYPYJN-BRWVUGGUSA-N 1 2 385.530 -0.039 20 0 GBADLO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000328915654 1073142677 /nfs/dbraw/zinc/14/26/77/1073142677.db2.gz QWMYIJWFNYPYJN-GVDBMIGSSA-N 1 2 385.530 -0.039 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000328915654 1073142665 /nfs/dbraw/zinc/14/26/65/1073142665.db2.gz QWMYIJWFNYPYJN-GVDBMIGSSA-N 1 2 385.530 -0.039 20 0 GBADLO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000328915655 1073143047 /nfs/dbraw/zinc/14/30/47/1073143047.db2.gz QWMYIJWFNYPYJN-ZACQAIPSSA-N 1 2 385.530 -0.039 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000328915655 1073143043 /nfs/dbraw/zinc/14/30/43/1073143043.db2.gz QWMYIJWFNYPYJN-ZACQAIPSSA-N 1 2 385.530 -0.039 20 0 GBADLO O=C(CSCC[NH+]1CCOCC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000328927734 530273961 /nfs/dbraw/zinc/27/39/61/530273961.db2.gz XGLILZRWXPMYSX-HNNXBMFYSA-N 1 2 391.559 -0.617 20 0 GBADLO O=C(CSCC[NH+]1CCOCC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000328927735 530274064 /nfs/dbraw/zinc/27/40/64/530274064.db2.gz XGLILZRWXPMYSX-OAHLLOKOSA-N 1 2 391.559 -0.617 20 0 GBADLO CC(C)c1nn(C)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000328933820 1073141319 /nfs/dbraw/zinc/14/13/19/1073141319.db2.gz ISDXFDAHHUIPNA-UHFFFAOYSA-N 1 2 398.533 -0.207 20 0 GBADLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000328936723 1073142312 /nfs/dbraw/zinc/14/23/12/1073142312.db2.gz JOCMRKCAZRNTIV-IRXDYDNUSA-N 1 2 392.500 -0.221 20 0 GBADLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000328936723 1073142303 /nfs/dbraw/zinc/14/23/03/1073142303.db2.gz JOCMRKCAZRNTIV-IRXDYDNUSA-N 1 2 392.500 -0.221 20 0 GBADLO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(S(C)(=O)=O)CCOCC2)CC1 ZINC000328947102 1073142361 /nfs/dbraw/zinc/14/23/61/1073142361.db2.gz VSXQUNMKLSOMSG-AWEZNQCLSA-N 1 2 387.502 -0.655 20 0 GBADLO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(S(C)(=O)=O)CCOCC2)CC1 ZINC000328947102 1073142360 /nfs/dbraw/zinc/14/23/60/1073142360.db2.gz VSXQUNMKLSOMSG-AWEZNQCLSA-N 1 2 387.502 -0.655 20 0 GBADLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2(S(C)(=O)=O)CCOCC2)CC1 ZINC000328947105 1073142091 /nfs/dbraw/zinc/14/20/91/1073142091.db2.gz VSXQUNMKLSOMSG-CQSZACIVSA-N 1 2 387.502 -0.655 20 0 GBADLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2(S(C)(=O)=O)CCOCC2)CC1 ZINC000328947105 1073142085 /nfs/dbraw/zinc/14/20/85/1073142085.db2.gz VSXQUNMKLSOMSG-CQSZACIVSA-N 1 2 387.502 -0.655 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000328947448 1073142404 /nfs/dbraw/zinc/14/24/04/1073142404.db2.gz VTTLITGKBJDTOZ-KRWDZBQOSA-N 1 2 397.497 -0.008 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000328947449 1073141903 /nfs/dbraw/zinc/14/19/03/1073141903.db2.gz VTTLITGKBJDTOZ-QGZVFWFLSA-N 1 2 397.497 -0.008 20 0 GBADLO C[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1=O ZINC000328958124 1073143871 /nfs/dbraw/zinc/14/38/71/1073143871.db2.gz ZXWZLGFOKJKAIM-CABCVRRESA-N 1 2 386.518 -0.372 20 0 GBADLO C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1=O ZINC000328958128 1073143649 /nfs/dbraw/zinc/14/36/49/1073143649.db2.gz ZXWZLGFOKJKAIM-GJZGRUSLSA-N 1 2 386.518 -0.372 20 0 GBADLO C[C@@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1=O ZINC000328958130 1073143795 /nfs/dbraw/zinc/14/37/95/1073143795.db2.gz ZXWZLGFOKJKAIM-HUUCEWRRSA-N 1 2 386.518 -0.372 20 0 GBADLO C[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1=O ZINC000328958132 1073143772 /nfs/dbraw/zinc/14/37/72/1073143772.db2.gz ZXWZLGFOKJKAIM-LSDHHAIUSA-N 1 2 386.518 -0.372 20 0 GBADLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000328976298 1073144787 /nfs/dbraw/zinc/14/47/87/1073144787.db2.gz BOYIHDGDDNUAAP-ILXRZTDVSA-N 1 2 386.518 -0.047 20 0 GBADLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000328976298 1073144783 /nfs/dbraw/zinc/14/47/83/1073144783.db2.gz BOYIHDGDDNUAAP-ILXRZTDVSA-N 1 2 386.518 -0.047 20 0 GBADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000328976304 1073144753 /nfs/dbraw/zinc/14/47/53/1073144753.db2.gz BOYIHDGDDNUAAP-KFWWJZLASA-N 1 2 386.518 -0.047 20 0 GBADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000328976304 1073144750 /nfs/dbraw/zinc/14/47/50/1073144750.db2.gz BOYIHDGDDNUAAP-KFWWJZLASA-N 1 2 386.518 -0.047 20 0 GBADLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000328976305 1073145015 /nfs/dbraw/zinc/14/50/15/1073145015.db2.gz BOYIHDGDDNUAAP-QLFBSQMISA-N 1 2 386.518 -0.047 20 0 GBADLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000328976305 1073145011 /nfs/dbraw/zinc/14/50/11/1073145011.db2.gz BOYIHDGDDNUAAP-QLFBSQMISA-N 1 2 386.518 -0.047 20 0 GBADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000328976308 1073144681 /nfs/dbraw/zinc/14/46/81/1073144681.db2.gz BOYIHDGDDNUAAP-RBSFLKMASA-N 1 2 386.518 -0.047 20 0 GBADLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000328976308 1073144677 /nfs/dbraw/zinc/14/46/77/1073144677.db2.gz BOYIHDGDDNUAAP-RBSFLKMASA-N 1 2 386.518 -0.047 20 0 GBADLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000328987923 1072230497 /nfs/dbraw/zinc/23/04/97/1072230497.db2.gz ROBNGHAOEKEJNQ-UHFFFAOYSA-N 1 2 381.458 -0.004 20 0 GBADLO CN1C(=O)NC2(CCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)CC2)C1=O ZINC000328992867 1073145645 /nfs/dbraw/zinc/14/56/45/1073145645.db2.gz SVPQKHVIHRLLIN-UHFFFAOYSA-N 1 2 386.456 -0.049 20 0 GBADLO COC1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000329018196 1073344858 /nfs/dbraw/zinc/34/48/58/1073344858.db2.gz KUXFDLKQFLBGDV-UHFFFAOYSA-N 1 2 388.534 -0.028 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000329028374 1073345550 /nfs/dbraw/zinc/34/55/50/1073345550.db2.gz OWYLHPGBDKUDMB-BQFCYCMXSA-N 1 2 393.488 -0.519 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000329028377 1073345284 /nfs/dbraw/zinc/34/52/84/1073345284.db2.gz OWYLHPGBDKUDMB-JZXOWHBKSA-N 1 2 393.488 -0.519 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000329028379 1073345733 /nfs/dbraw/zinc/34/57/33/1073345733.db2.gz OWYLHPGBDKUDMB-LZLYRXPVSA-N 1 2 393.488 -0.519 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000329028380 1073345519 /nfs/dbraw/zinc/34/55/19/1073345519.db2.gz OWYLHPGBDKUDMB-XYJFISCASA-N 1 2 393.488 -0.519 20 0 GBADLO CCc1onc(C)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329034674 1073345702 /nfs/dbraw/zinc/34/57/02/1073345702.db2.gz QUVWJJIJFKZTET-UHFFFAOYSA-N 1 2 385.490 -0.205 20 0 GBADLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000329037461 1073345658 /nfs/dbraw/zinc/34/56/58/1073345658.db2.gz ZHYKLBDMPHRTQR-HNNXBMFYSA-N 1 2 397.501 -0.114 20 0 GBADLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000329037461 1073345651 /nfs/dbraw/zinc/34/56/51/1073345651.db2.gz ZHYKLBDMPHRTQR-HNNXBMFYSA-N 1 2 397.501 -0.114 20 0 GBADLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000329037462 1073345598 /nfs/dbraw/zinc/34/55/98/1073345598.db2.gz ZHYKLBDMPHRTQR-OAHLLOKOSA-N 1 2 397.501 -0.114 20 0 GBADLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000329037462 1073345590 /nfs/dbraw/zinc/34/55/90/1073345590.db2.gz ZHYKLBDMPHRTQR-OAHLLOKOSA-N 1 2 397.501 -0.114 20 0 GBADLO CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000329076098 1073347063 /nfs/dbraw/zinc/34/70/63/1073347063.db2.gz CBVLUSCRZNKOPQ-IBGZPJMESA-N 1 2 380.489 -0.484 20 0 GBADLO CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000329076098 1073347058 /nfs/dbraw/zinc/34/70/58/1073347058.db2.gz CBVLUSCRZNKOPQ-IBGZPJMESA-N 1 2 380.489 -0.484 20 0 GBADLO CC(=O)N1CCC[C@](O)(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000329076099 1073347015 /nfs/dbraw/zinc/34/70/15/1073347015.db2.gz CBVLUSCRZNKOPQ-LJQANCHMSA-N 1 2 380.489 -0.484 20 0 GBADLO CC(=O)N1CCC[C@](O)(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000329076099 1073347006 /nfs/dbraw/zinc/34/70/06/1073347006.db2.gz CBVLUSCRZNKOPQ-LJQANCHMSA-N 1 2 380.489 -0.484 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N3CCSCC3)CC2)CC1 ZINC000329084860 530288331 /nfs/dbraw/zinc/28/83/31/530288331.db2.gz UDDSDNHXBJYOKD-UHFFFAOYSA-N 1 2 377.536 -0.735 20 0 GBADLO CNS(=O)(=O)N1CCC(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000329091256 1073348243 /nfs/dbraw/zinc/34/82/43/1073348243.db2.gz JKTQZBGTYWIEKK-INIZCTEOSA-N 1 2 388.534 -0.268 20 0 GBADLO CNS(=O)(=O)N1CCC(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000329091256 1073348233 /nfs/dbraw/zinc/34/82/33/1073348233.db2.gz JKTQZBGTYWIEKK-INIZCTEOSA-N 1 2 388.534 -0.268 20 0 GBADLO CNS(=O)(=O)N1CCC(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000329091257 1073348114 /nfs/dbraw/zinc/34/81/14/1073348114.db2.gz JKTQZBGTYWIEKK-MRXNPFEDSA-N 1 2 388.534 -0.268 20 0 GBADLO CNS(=O)(=O)N1CCC(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000329091257 1073348103 /nfs/dbraw/zinc/34/81/03/1073348103.db2.gz JKTQZBGTYWIEKK-MRXNPFEDSA-N 1 2 388.534 -0.268 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC000329104295 1073348033 /nfs/dbraw/zinc/34/80/33/1073348033.db2.gz NYMNKCZXCYXXTQ-UHFFFAOYSA-N 1 2 385.446 -0.256 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC000329104295 1073348025 /nfs/dbraw/zinc/34/80/25/1073348025.db2.gz NYMNKCZXCYXXTQ-UHFFFAOYSA-N 1 2 385.446 -0.256 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000329119420 1073349254 /nfs/dbraw/zinc/34/92/54/1073349254.db2.gz JSSRMRKYQVFMBF-BSDSXHPESA-N 1 2 395.500 -0.445 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000329119421 1073349364 /nfs/dbraw/zinc/34/93/64/1073349364.db2.gz JSSRMRKYQVFMBF-FJIDUMEYSA-N 1 2 395.500 -0.445 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000329119422 1073348988 /nfs/dbraw/zinc/34/89/88/1073348988.db2.gz JSSRMRKYQVFMBF-MLHJIOFPSA-N 1 2 395.500 -0.445 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000329119423 1073349070 /nfs/dbraw/zinc/34/90/70/1073349070.db2.gz JSSRMRKYQVFMBF-WNRNVDISSA-N 1 2 395.500 -0.445 20 0 GBADLO CCc1nn(C)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329122575 1073349708 /nfs/dbraw/zinc/34/97/08/1073349708.db2.gz WTOYCXHRISDSIJ-UHFFFAOYSA-N 1 2 384.506 -0.768 20 0 GBADLO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000329147688 1073351324 /nfs/dbraw/zinc/35/13/24/1073351324.db2.gz BALVPXKCEJLMDF-INIZCTEOSA-N 1 2 382.505 -0.775 20 0 GBADLO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(CN3CCOCC3)CC2)CC1 ZINC000329147688 1073351317 /nfs/dbraw/zinc/35/13/17/1073351317.db2.gz BALVPXKCEJLMDF-INIZCTEOSA-N 1 2 382.505 -0.775 20 0 GBADLO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000329147689 1073350670 /nfs/dbraw/zinc/35/06/70/1073350670.db2.gz BALVPXKCEJLMDF-MRXNPFEDSA-N 1 2 382.505 -0.775 20 0 GBADLO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(CN3CCOCC3)CC2)CC1 ZINC000329147689 1073350660 /nfs/dbraw/zinc/35/06/60/1073350660.db2.gz BALVPXKCEJLMDF-MRXNPFEDSA-N 1 2 382.505 -0.775 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@@]2(CCCOC2)C1 ZINC000329193214 1073354276 /nfs/dbraw/zinc/35/42/76/1073354276.db2.gz TZZRKKPYKLNDSM-APWZRJJASA-N 1 2 381.473 -0.425 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@@]2(CCCOC2)C1 ZINC000329193215 1073354509 /nfs/dbraw/zinc/35/45/09/1073354509.db2.gz TZZRKKPYKLNDSM-LPHOPBHVSA-N 1 2 381.473 -0.425 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@]2(CCCOC2)C1 ZINC000329193216 1073354398 /nfs/dbraw/zinc/35/43/98/1073354398.db2.gz TZZRKKPYKLNDSM-QFBILLFUSA-N 1 2 381.473 -0.425 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@]2(CCCOC2)C1 ZINC000329193217 1073353881 /nfs/dbraw/zinc/35/38/81/1073353881.db2.gz TZZRKKPYKLNDSM-VQIMIIECSA-N 1 2 381.473 -0.425 20 0 GBADLO Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC(=O)N1C ZINC000329197614 1073355191 /nfs/dbraw/zinc/35/51/91/1073355191.db2.gz UIFYHGRUZGKAEN-IGCXYCKISA-N 1 2 392.460 -0.366 20 0 GBADLO Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC(=O)N1C ZINC000329197614 1073355188 /nfs/dbraw/zinc/35/51/88/1073355188.db2.gz UIFYHGRUZGKAEN-IGCXYCKISA-N 1 2 392.460 -0.366 20 0 GBADLO Cn1nccc1[C@H]1[C@@H](C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC(=O)N1C ZINC000329197615 1073355246 /nfs/dbraw/zinc/35/52/46/1073355246.db2.gz UIFYHGRUZGKAEN-IIYDPXPESA-N 1 2 392.460 -0.366 20 0 GBADLO Cn1nccc1[C@H]1[C@@H](C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC(=O)N1C ZINC000329197615 1073355243 /nfs/dbraw/zinc/35/52/43/1073355243.db2.gz UIFYHGRUZGKAEN-IIYDPXPESA-N 1 2 392.460 -0.366 20 0 GBADLO Cn1nccc1[C@H]1[C@H](C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC(=O)N1C ZINC000329197617 1073355063 /nfs/dbraw/zinc/35/50/63/1073355063.db2.gz UIFYHGRUZGKAEN-PBFPGSCMSA-N 1 2 392.460 -0.366 20 0 GBADLO Cn1nccc1[C@H]1[C@H](C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC(=O)N1C ZINC000329197617 1073355055 /nfs/dbraw/zinc/35/50/55/1073355055.db2.gz UIFYHGRUZGKAEN-PBFPGSCMSA-N 1 2 392.460 -0.366 20 0 GBADLO Cn1nccc1[C@@H]1[C@H](C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC(=O)N1C ZINC000329197618 1073355279 /nfs/dbraw/zinc/35/52/79/1073355279.db2.gz UIFYHGRUZGKAEN-XNJGSVPQSA-N 1 2 392.460 -0.366 20 0 GBADLO Cn1nccc1[C@@H]1[C@H](C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC(=O)N1C ZINC000329197618 1073355273 /nfs/dbraw/zinc/35/52/73/1073355273.db2.gz UIFYHGRUZGKAEN-XNJGSVPQSA-N 1 2 392.460 -0.366 20 0 GBADLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000329198059 1073354907 /nfs/dbraw/zinc/35/49/07/1073354907.db2.gz AGSHDJYLTLCZGM-AWEZNQCLSA-N 1 2 381.477 -0.614 20 0 GBADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000329198059 1073354898 /nfs/dbraw/zinc/35/48/98/1073354898.db2.gz AGSHDJYLTLCZGM-AWEZNQCLSA-N 1 2 381.477 -0.614 20 0 GBADLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000329198062 1073355221 /nfs/dbraw/zinc/35/52/21/1073355221.db2.gz AGSHDJYLTLCZGM-CQSZACIVSA-N 1 2 381.477 -0.614 20 0 GBADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000329198062 1073355217 /nfs/dbraw/zinc/35/52/17/1073355217.db2.gz AGSHDJYLTLCZGM-CQSZACIVSA-N 1 2 381.477 -0.614 20 0 GBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329212736 1072470148 /nfs/dbraw/zinc/47/01/48/1072470148.db2.gz IFWBZCZXWZSHEL-HNNXBMFYSA-N 1 2 399.517 0.216 20 0 GBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329212737 1072469934 /nfs/dbraw/zinc/46/99/34/1072469934.db2.gz IFWBZCZXWZSHEL-OAHLLOKOSA-N 1 2 399.517 0.216 20 0 GBADLO O=C1NC2(CC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329218843 1073356110 /nfs/dbraw/zinc/35/61/10/1073356110.db2.gz AKPSFRMWAFEMDO-UHFFFAOYSA-N 1 2 379.442 -0.178 20 0 GBADLO CN(C)C(=O)N1CCC(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000329224205 1072471555 /nfs/dbraw/zinc/47/15/55/1072471555.db2.gz ZHELGMWYOOLHEM-UHFFFAOYSA-N 1 2 378.477 0.547 20 0 GBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000329235570 1073356519 /nfs/dbraw/zinc/35/65/19/1073356519.db2.gz ISQXTCXMVMYGJP-KBPBESRZSA-N 1 2 385.490 -0.160 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000329235571 1073356467 /nfs/dbraw/zinc/35/64/67/1073356467.db2.gz ISQXTCXMVMYGJP-OKILXGFUSA-N 1 2 385.490 -0.160 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C[C@@H](C)O1 ZINC000329235572 1073356861 /nfs/dbraw/zinc/35/68/61/1073356861.db2.gz ISQXTCXMVMYGJP-ZIAGYGMSSA-N 1 2 385.490 -0.160 20 0 GBADLO CCc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(=O)[nH]1 ZINC000329239063 1073356749 /nfs/dbraw/zinc/35/67/49/1073356749.db2.gz LQVBTMMQXKYTOS-UHFFFAOYSA-N 1 2 397.501 -0.400 20 0 GBADLO C[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C[C@@H]1CCCC[C@@H]1O ZINC000329248865 1073357409 /nfs/dbraw/zinc/35/74/09/1073357409.db2.gz SRTOZRKHEYUZLK-BBWFWOEESA-N 1 2 387.546 -0.199 20 0 GBADLO C[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C[C@@H]1CCCC[C@@H]1O ZINC000329248865 1073357401 /nfs/dbraw/zinc/35/74/01/1073357401.db2.gz SRTOZRKHEYUZLK-BBWFWOEESA-N 1 2 387.546 -0.199 20 0 GBADLO C[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C[C@H]1CCCC[C@H]1O ZINC000329248867 1073357595 /nfs/dbraw/zinc/35/75/95/1073357595.db2.gz SRTOZRKHEYUZLK-BRWVUGGUSA-N 1 2 387.546 -0.199 20 0 GBADLO C[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C[C@H]1CCCC[C@H]1O ZINC000329248867 1073357587 /nfs/dbraw/zinc/35/75/87/1073357587.db2.gz SRTOZRKHEYUZLK-BRWVUGGUSA-N 1 2 387.546 -0.199 20 0 GBADLO C[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C[C@@H]1CCCC[C@H]1O ZINC000329248868 1073357244 /nfs/dbraw/zinc/35/72/44/1073357244.db2.gz SRTOZRKHEYUZLK-GVDBMIGSSA-N 1 2 387.546 -0.199 20 0 GBADLO C[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C[C@@H]1CCCC[C@H]1O ZINC000329248868 1073357232 /nfs/dbraw/zinc/35/72/32/1073357232.db2.gz SRTOZRKHEYUZLK-GVDBMIGSSA-N 1 2 387.546 -0.199 20 0 GBADLO C[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C[C@H]1CCCC[C@@H]1O ZINC000329248869 1073357347 /nfs/dbraw/zinc/35/73/47/1073357347.db2.gz SRTOZRKHEYUZLK-ZACQAIPSSA-N 1 2 387.546 -0.199 20 0 GBADLO C[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C[C@H]1CCCC[C@@H]1O ZINC000329248869 1073357335 /nfs/dbraw/zinc/35/73/35/1073357335.db2.gz SRTOZRKHEYUZLK-ZACQAIPSSA-N 1 2 387.546 -0.199 20 0 GBADLO CCC1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000329253248 1073357174 /nfs/dbraw/zinc/35/71/74/1073357174.db2.gz VYQAXSRFUMCQIP-UHFFFAOYSA-N 1 2 388.534 -0.170 20 0 GBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C[C@H](C)O1 ZINC000329255428 1072473246 /nfs/dbraw/zinc/47/32/46/1072473246.db2.gz XHGOKCOHLKIRMG-KBPBESRZSA-N 1 2 385.490 -0.160 20 0 GBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C[C@H](C)O1 ZINC000329255428 1072473242 /nfs/dbraw/zinc/47/32/42/1072473242.db2.gz XHGOKCOHLKIRMG-KBPBESRZSA-N 1 2 385.490 -0.160 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C[C@H](C)O1 ZINC000329255429 1072473145 /nfs/dbraw/zinc/47/31/45/1072473145.db2.gz XHGOKCOHLKIRMG-OKILXGFUSA-N 1 2 385.490 -0.160 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C[C@H](C)O1 ZINC000329255429 1072473142 /nfs/dbraw/zinc/47/31/42/1072473142.db2.gz XHGOKCOHLKIRMG-OKILXGFUSA-N 1 2 385.490 -0.160 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C[C@@H](C)O1 ZINC000329255430 1072473528 /nfs/dbraw/zinc/47/35/28/1072473528.db2.gz XHGOKCOHLKIRMG-ZIAGYGMSSA-N 1 2 385.490 -0.160 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C[C@@H](C)O1 ZINC000329255430 1072473524 /nfs/dbraw/zinc/47/35/24/1072473524.db2.gz XHGOKCOHLKIRMG-ZIAGYGMSSA-N 1 2 385.490 -0.160 20 0 GBADLO O=C([C@H]1COCCN1CC(F)(F)F)N1CC[NH+](CCn2cncn2)CC1 ZINC000329293152 1073358310 /nfs/dbraw/zinc/35/83/10/1073358310.db2.gz RNLBMMWHHOUWRX-CYBMUJFWSA-N 1 2 376.383 -0.315 20 0 GBADLO O=C([C@@H]1COCCN1CC(F)(F)F)N1CC[NH+](CCn2cncn2)CC1 ZINC000329293155 1073358090 /nfs/dbraw/zinc/35/80/90/1073358090.db2.gz RNLBMMWHHOUWRX-ZDUSSCGKSA-N 1 2 376.383 -0.315 20 0 GBADLO O=c1n2ccccc2nn1CC[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000329302317 1073358939 /nfs/dbraw/zinc/35/89/39/1073358939.db2.gz WSTZPBABUMCZRH-UHFFFAOYSA-N 1 2 379.486 -0.309 20 0 GBADLO Cc1n[nH]c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329309208 1073359510 /nfs/dbraw/zinc/35/95/10/1073359510.db2.gz FLBCDQCJYOSLQB-UHFFFAOYSA-N 1 2 398.533 -0.404 20 0 GBADLO CC(C)Cn1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000329317881 1073359747 /nfs/dbraw/zinc/35/97/47/1073359747.db2.gz SOKCDXJAUUNGGJ-UHFFFAOYSA-N 1 2 398.533 -0.211 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000329332461 1073360323 /nfs/dbraw/zinc/36/03/23/1073360323.db2.gz MUGKCWBHMVUAJN-DLBZAZTESA-N 1 2 392.500 -0.362 20 0 GBADLO O=C([C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1)N1CCCC1 ZINC000329332463 1073360382 /nfs/dbraw/zinc/36/03/82/1073360382.db2.gz MUGKCWBHMVUAJN-IAGOWNOFSA-N 1 2 392.500 -0.362 20 0 GBADLO O=C([C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1)N1CCCC1 ZINC000329332466 1073360016 /nfs/dbraw/zinc/36/00/16/1073360016.db2.gz MUGKCWBHMVUAJN-IRXDYDNUSA-N 1 2 392.500 -0.362 20 0 GBADLO O=C([C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1)N1CCCC1 ZINC000329332468 1073359999 /nfs/dbraw/zinc/35/99/99/1073359999.db2.gz MUGKCWBHMVUAJN-SJORKVTESA-N 1 2 392.500 -0.362 20 0 GBADLO O=C([C@@H]1CCC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1)N1CCN(CCO)CC1 ZINC000329337079 1072494085 /nfs/dbraw/zinc/49/40/85/1072494085.db2.gz MHYPOROQIONXFL-QZTJIDSGSA-N 1 2 396.532 -0.934 20 0 GBADLO O=C([C@H]1CCC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1)N1CCN(CCO)CC1 ZINC000329337080 1072494512 /nfs/dbraw/zinc/49/45/12/1072494512.db2.gz MHYPOROQIONXFL-ROUUACIJSA-N 1 2 396.532 -0.934 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCCS3)CC2)CC1 ZINC000329349356 530289308 /nfs/dbraw/zinc/28/93/08/530289308.db2.gz WKWYHCXDOMYJSD-AWEZNQCLSA-N 1 2 376.548 -0.092 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCCS3)CC2)CC1 ZINC000329349357 530289335 /nfs/dbraw/zinc/28/93/35/530289335.db2.gz WKWYHCXDOMYJSD-CQSZACIVSA-N 1 2 376.548 -0.092 20 0 GBADLO C[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329351253 1073361007 /nfs/dbraw/zinc/36/10/07/1073361007.db2.gz UCRMXWJEIMYSBZ-KBPBESRZSA-N 1 2 387.506 -0.622 20 0 GBADLO C[C@@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329351255 1073361061 /nfs/dbraw/zinc/36/10/61/1073361061.db2.gz UCRMXWJEIMYSBZ-KGLIPLIRSA-N 1 2 387.506 -0.622 20 0 GBADLO C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329351256 1073361170 /nfs/dbraw/zinc/36/11/70/1073361170.db2.gz UCRMXWJEIMYSBZ-UONOGXRCSA-N 1 2 387.506 -0.622 20 0 GBADLO C[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329351257 1073360899 /nfs/dbraw/zinc/36/08/99/1073360899.db2.gz UCRMXWJEIMYSBZ-ZIAGYGMSSA-N 1 2 387.506 -0.622 20 0 GBADLO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C)[S@]1=O ZINC000329356968 1073361090 /nfs/dbraw/zinc/36/10/90/1073361090.db2.gz FXKHPSZOGPGDDU-XBANHIQBSA-N 1 2 385.530 -0.075 20 0 GBADLO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C)[S@]1=O ZINC000329356969 1073360794 /nfs/dbraw/zinc/36/07/94/1073360794.db2.gz FXKHPSZOGPGDDU-ZQAVCHOESA-N 1 2 385.530 -0.075 20 0 GBADLO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C)[S@@]1=O ZINC000329356971 1073360690 /nfs/dbraw/zinc/36/06/90/1073360690.db2.gz FXKHPSZOGPGDDU-GICVVRLGSA-N 1 2 385.530 -0.075 20 0 GBADLO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C)[S@@]1=O ZINC000329356974 1073361147 /nfs/dbraw/zinc/36/11/47/1073361147.db2.gz FXKHPSZOGPGDDU-VAWQFRCWSA-N 1 2 385.530 -0.075 20 0 GBADLO O=C1[C@@H]2CCCN2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329362469 1073361252 /nfs/dbraw/zinc/36/12/52/1073361252.db2.gz IXPCVGJVHKLDIR-AWEZNQCLSA-N 1 2 393.469 -0.040 20 0 GBADLO O=C1[C@H]2CCCN2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329362471 1073360944 /nfs/dbraw/zinc/36/09/44/1073360944.db2.gz IXPCVGJVHKLDIR-CQSZACIVSA-N 1 2 393.469 -0.040 20 0 GBADLO CS(=O)(=O)CC1(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000329365302 530289364 /nfs/dbraw/zinc/28/93/64/530289364.db2.gz GIPWCGVKOYFJIV-AWEZNQCLSA-N 1 2 380.532 -0.062 20 0 GBADLO CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000329365302 530289363 /nfs/dbraw/zinc/28/93/63/530289363.db2.gz GIPWCGVKOYFJIV-AWEZNQCLSA-N 1 2 380.532 -0.062 20 0 GBADLO CS(=O)(=O)CC1(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000329365303 530289374 /nfs/dbraw/zinc/28/93/74/530289374.db2.gz GIPWCGVKOYFJIV-CQSZACIVSA-N 1 2 380.532 -0.062 20 0 GBADLO CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000329365303 530289373 /nfs/dbraw/zinc/28/93/73/530289373.db2.gz GIPWCGVKOYFJIV-CQSZACIVSA-N 1 2 380.532 -0.062 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CCC3CCC3)CC2)CC1 ZINC000329369594 530289062 /nfs/dbraw/zinc/28/90/62/530289062.db2.gz AMBUPULTSTWDKS-UHFFFAOYSA-N 1 2 394.563 -0.384 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H](C)O1 ZINC000329373291 1073360968 /nfs/dbraw/zinc/36/09/68/1073360968.db2.gz JVHAQVJSHPTHFP-BZUAXINKSA-N 1 2 389.518 -0.251 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H](C)O1 ZINC000329373291 1073360957 /nfs/dbraw/zinc/36/09/57/1073360957.db2.gz JVHAQVJSHPTHFP-BZUAXINKSA-N 1 2 389.518 -0.251 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H](C)O1 ZINC000329373292 1073360823 /nfs/dbraw/zinc/36/08/23/1073360823.db2.gz JVHAQVJSHPTHFP-OAGGEKHMSA-N 1 2 389.518 -0.251 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C[C@@H](C)O1 ZINC000329373292 1073360817 /nfs/dbraw/zinc/36/08/17/1073360817.db2.gz JVHAQVJSHPTHFP-OAGGEKHMSA-N 1 2 389.518 -0.251 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C[C@H](C)O1 ZINC000329373293 1073361915 /nfs/dbraw/zinc/36/19/15/1073361915.db2.gz JVHAQVJSHPTHFP-OWCLPIDISA-N 1 2 389.518 -0.251 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C[C@H](C)O1 ZINC000329373293 1073361910 /nfs/dbraw/zinc/36/19/10/1073361910.db2.gz JVHAQVJSHPTHFP-OWCLPIDISA-N 1 2 389.518 -0.251 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C[C@H](C)O1 ZINC000329373294 1073361757 /nfs/dbraw/zinc/36/17/57/1073361757.db2.gz JVHAQVJSHPTHFP-XHSDSOJGSA-N 1 2 389.518 -0.251 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C[C@H](C)O1 ZINC000329373294 1073361749 /nfs/dbraw/zinc/36/17/49/1073361749.db2.gz JVHAQVJSHPTHFP-XHSDSOJGSA-N 1 2 389.518 -0.251 20 0 GBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000329379286 1073361440 /nfs/dbraw/zinc/36/14/40/1073361440.db2.gz MYCDRUFHAROYFC-FGTMMUONSA-N 1 2 394.516 -0.511 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000329379287 1073361719 /nfs/dbraw/zinc/36/17/19/1073361719.db2.gz MYCDRUFHAROYFC-KURKYZTESA-N 1 2 394.516 -0.511 20 0 GBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000329379288 1073361471 /nfs/dbraw/zinc/36/14/71/1073361471.db2.gz MYCDRUFHAROYFC-KZNAEPCWSA-N 1 2 394.516 -0.511 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000329379289 1073361605 /nfs/dbraw/zinc/36/16/05/1073361605.db2.gz MYCDRUFHAROYFC-SQNIBIBYSA-N 1 2 394.516 -0.511 20 0 GBADLO CC[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329380653 1073361547 /nfs/dbraw/zinc/36/15/47/1073361547.db2.gz NPQYKLXOVPLVBP-CVEARBPZSA-N 1 2 388.534 -0.172 20 0 GBADLO CC[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329380655 1073361982 /nfs/dbraw/zinc/36/19/82/1073361982.db2.gz NPQYKLXOVPLVBP-HOTGVXAUSA-N 1 2 388.534 -0.172 20 0 GBADLO CC[C@@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329380657 1073361831 /nfs/dbraw/zinc/36/18/31/1073361831.db2.gz NPQYKLXOVPLVBP-HZPDHXFCSA-N 1 2 388.534 -0.172 20 0 GBADLO CC[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329380658 1073361946 /nfs/dbraw/zinc/36/19/46/1073361946.db2.gz NPQYKLXOVPLVBP-JKSUJKDBSA-N 1 2 388.534 -0.172 20 0 GBADLO O=S(=O)([C@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1)N1CCOCC1 ZINC000329385708 530289127 /nfs/dbraw/zinc/28/91/27/530289127.db2.gz QAKUVCZIBHEEHA-AWEZNQCLSA-N 1 2 381.520 -0.852 20 0 GBADLO O=S(=O)([C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1)N1CCOCC1 ZINC000329385708 530289124 /nfs/dbraw/zinc/28/91/24/530289124.db2.gz QAKUVCZIBHEEHA-AWEZNQCLSA-N 1 2 381.520 -0.852 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1)N1CCOCC1 ZINC000329385709 530289273 /nfs/dbraw/zinc/28/92/73/530289273.db2.gz QAKUVCZIBHEEHA-CQSZACIVSA-N 1 2 381.520 -0.852 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1)N1CCOCC1 ZINC000329385709 530289272 /nfs/dbraw/zinc/28/92/72/530289272.db2.gz QAKUVCZIBHEEHA-CQSZACIVSA-N 1 2 381.520 -0.852 20 0 GBADLO O=c1n2ccccc2nn1CC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329391092 1073362814 /nfs/dbraw/zinc/36/28/14/1073362814.db2.gz SOHRYFNTUVODTL-HNNXBMFYSA-N 1 2 395.485 -0.378 20 0 GBADLO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329391092 1073362802 /nfs/dbraw/zinc/36/28/02/1073362802.db2.gz SOHRYFNTUVODTL-HNNXBMFYSA-N 1 2 395.485 -0.378 20 0 GBADLO O=c1n2ccccc2nn1CC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329391093 1073362301 /nfs/dbraw/zinc/36/23/01/1073362301.db2.gz SOHRYFNTUVODTL-OAHLLOKOSA-N 1 2 395.485 -0.378 20 0 GBADLO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329391093 1073362299 /nfs/dbraw/zinc/36/22/99/1073362299.db2.gz SOHRYFNTUVODTL-OAHLLOKOSA-N 1 2 395.485 -0.378 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329397763 1073362222 /nfs/dbraw/zinc/36/22/22/1073362222.db2.gz VBGYIYZNPLCSKI-BBWFWOEESA-N 1 2 381.473 -0.427 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329397765 1073362698 /nfs/dbraw/zinc/36/26/98/1073362698.db2.gz VBGYIYZNPLCSKI-GVDBMIGSSA-N 1 2 381.473 -0.427 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329397766 1073362730 /nfs/dbraw/zinc/36/27/30/1073362730.db2.gz VBGYIYZNPLCSKI-ULQDDVLXSA-N 1 2 381.473 -0.427 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000329397767 1073362466 /nfs/dbraw/zinc/36/24/66/1073362466.db2.gz VBGYIYZNPLCSKI-YESZJQIVSA-N 1 2 381.473 -0.427 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000329412497 1073363322 /nfs/dbraw/zinc/36/33/22/1073363322.db2.gz YIKHXUYXESZXJC-FPCVCCKLSA-N 1 2 399.513 -0.656 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000329412498 1073363040 /nfs/dbraw/zinc/36/30/40/1073363040.db2.gz YIKHXUYXESZXJC-QXSJWSMHSA-N 1 2 399.513 -0.656 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000329412499 1073363070 /nfs/dbraw/zinc/36/30/70/1073363070.db2.gz YIKHXUYXESZXJC-UGUYLWEFSA-N 1 2 399.513 -0.656 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000329412500 1073363211 /nfs/dbraw/zinc/36/32/11/1073363211.db2.gz YIKHXUYXESZXJC-WCVJEAGWSA-N 1 2 399.513 -0.656 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C3CCSCC3)CC2)CC1 ZINC000329438243 530111523 /nfs/dbraw/zinc/11/15/23/530111523.db2.gz MJXFFNHBNAGRMN-UHFFFAOYSA-N 1 2 376.548 -0.234 20 0 GBADLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+](CCn3cncn3)CC2)C1=O ZINC000329446362 1072504090 /nfs/dbraw/zinc/50/40/90/1072504090.db2.gz CPOPDKWRZWCHAW-KRWDZBQOSA-N 1 2 375.433 -0.653 20 0 GBADLO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+](CCn3cncn3)CC2)C1=O ZINC000329446363 1072503985 /nfs/dbraw/zinc/50/39/85/1072503985.db2.gz CPOPDKWRZWCHAW-QGZVFWFLSA-N 1 2 375.433 -0.653 20 0 GBADLO CN(C)C(=O)[C@H]1CSCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329449415 1073363898 /nfs/dbraw/zinc/36/38/98/1073363898.db2.gz LIGGQQVAGRHGSR-CABCVRRESA-N 1 2 398.529 -0.311 20 0 GBADLO CN(C)C(=O)[C@@H]1CSCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329449417 1073363928 /nfs/dbraw/zinc/36/39/28/1073363928.db2.gz LIGGQQVAGRHGSR-GJZGRUSLSA-N 1 2 398.529 -0.311 20 0 GBADLO CN(C)C(=O)[C@H]1CSCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329449418 1073364390 /nfs/dbraw/zinc/36/43/90/1073364390.db2.gz LIGGQQVAGRHGSR-HUUCEWRRSA-N 1 2 398.529 -0.311 20 0 GBADLO CN(C)C(=O)[C@@H]1CSCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329449420 1073364209 /nfs/dbraw/zinc/36/42/09/1073364209.db2.gz LIGGQQVAGRHGSR-LSDHHAIUSA-N 1 2 398.529 -0.311 20 0 GBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1C ZINC000329454309 1072504674 /nfs/dbraw/zinc/50/46/74/1072504674.db2.gz MGRYDUMNOJDGGY-HNNXBMFYSA-N 1 2 399.517 -0.280 20 0 GBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1C ZINC000329454311 1072504762 /nfs/dbraw/zinc/50/47/62/1072504762.db2.gz MGRYDUMNOJDGGY-OAHLLOKOSA-N 1 2 399.517 -0.280 20 0 GBADLO CC(=O)N1CCN(C(=O)C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000329481241 1072507559 /nfs/dbraw/zinc/50/75/59/1072507559.db2.gz VUKQKIMZCGQLPH-UHFFFAOYSA-N 1 2 379.505 -0.693 20 0 GBADLO CC(=O)N1CCN(C(=O)C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000329481241 1072507546 /nfs/dbraw/zinc/50/75/46/1072507546.db2.gz VUKQKIMZCGQLPH-UHFFFAOYSA-N 1 2 379.505 -0.693 20 0 GBADLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329505728 1073366155 /nfs/dbraw/zinc/36/61/55/1073366155.db2.gz HLDHCWOZUOHPLW-CYBMUJFWSA-N 1 2 398.533 -0.234 20 0 GBADLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329505729 1073366305 /nfs/dbraw/zinc/36/63/05/1073366305.db2.gz HLDHCWOZUOHPLW-ZDUSSCGKSA-N 1 2 398.533 -0.234 20 0 GBADLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000329536790 530290043 /nfs/dbraw/zinc/29/00/43/530290043.db2.gz LZQXQPSABWPCNC-UHFFFAOYSA-N 1 2 379.508 -0.549 20 0 GBADLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329570910 1073368414 /nfs/dbraw/zinc/36/84/14/1073368414.db2.gz IUMWLZJSUCCDOP-ILXRZTDVSA-N 1 2 387.502 -0.799 20 0 GBADLO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329570911 1073368451 /nfs/dbraw/zinc/36/84/51/1073368451.db2.gz IUMWLZJSUCCDOP-KFWWJZLASA-N 1 2 387.502 -0.799 20 0 GBADLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329570912 1073368667 /nfs/dbraw/zinc/36/86/67/1073368667.db2.gz IUMWLZJSUCCDOP-QLFBSQMISA-N 1 2 387.502 -0.799 20 0 GBADLO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329570913 1073368581 /nfs/dbraw/zinc/36/85/81/1073368581.db2.gz IUMWLZJSUCCDOP-RBSFLKMASA-N 1 2 387.502 -0.799 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOCC2(CCOCC2)C1 ZINC000329573873 1073368511 /nfs/dbraw/zinc/36/85/11/1073368511.db2.gz RMAKWFMEIUDZIY-KRWDZBQOSA-N 1 2 395.500 -0.177 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOCC2(CCOCC2)C1 ZINC000329573874 1073368482 /nfs/dbraw/zinc/36/84/82/1073368482.db2.gz RMAKWFMEIUDZIY-QGZVFWFLSA-N 1 2 395.500 -0.177 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(F)(F)[C@H](CO)C1 ZINC000329635067 1073372528 /nfs/dbraw/zinc/37/25/28/1073372528.db2.gz UFJDWCFFYJOOED-KBPBESRZSA-N 1 2 375.416 -0.357 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(F)(F)[C@H](CO)C1 ZINC000329635068 1073372398 /nfs/dbraw/zinc/37/23/98/1073372398.db2.gz UFJDWCFFYJOOED-KGLIPLIRSA-N 1 2 375.416 -0.357 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000329635069 1073372441 /nfs/dbraw/zinc/37/24/41/1073372441.db2.gz UFJDWCFFYJOOED-UONOGXRCSA-N 1 2 375.416 -0.357 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000329635070 1073372475 /nfs/dbraw/zinc/37/24/75/1073372475.db2.gz UFJDWCFFYJOOED-ZIAGYGMSSA-N 1 2 375.416 -0.357 20 0 GBADLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)S(=O)(=O)N1CCOCC1 ZINC000329683479 530290630 /nfs/dbraw/zinc/29/06/30/530290630.db2.gz ZFJBUBYFLQKRQC-KBPBESRZSA-N 1 2 375.470 -0.159 20 0 GBADLO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C)S1(=O)=O ZINC000329688162 1073378141 /nfs/dbraw/zinc/37/81/41/1073378141.db2.gz YYKBDLNDXQNFRF-KFWWJZLASA-N 1 2 387.502 -0.799 20 0 GBADLO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C)S1(=O)=O ZINC000329688164 1073378179 /nfs/dbraw/zinc/37/81/79/1073378179.db2.gz YYKBDLNDXQNFRF-QLFBSQMISA-N 1 2 387.502 -0.799 20 0 GBADLO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C)S1(=O)=O ZINC000329688169 1073378236 /nfs/dbraw/zinc/37/82/36/1073378236.db2.gz YYKBDLNDXQNFRF-RBSFLKMASA-N 1 2 387.502 -0.799 20 0 GBADLO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C)S1(=O)=O ZINC000329688174 1073378166 /nfs/dbraw/zinc/37/81/66/1073378166.db2.gz YYKBDLNDXQNFRF-ZNMIVQPWSA-N 1 2 387.502 -0.799 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000329697891 1073379028 /nfs/dbraw/zinc/37/90/28/1073379028.db2.gz CMYXOCGFMCRATR-PXAZEXFGSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000329697891 1073379015 /nfs/dbraw/zinc/37/90/15/1073379015.db2.gz CMYXOCGFMCRATR-PXAZEXFGSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000329697892 1073378824 /nfs/dbraw/zinc/37/88/24/1073378824.db2.gz CMYXOCGFMCRATR-SJCJKPOMSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000329697892 1073378817 /nfs/dbraw/zinc/37/88/17/1073378817.db2.gz CMYXOCGFMCRATR-SJCJKPOMSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000329697893 1073378841 /nfs/dbraw/zinc/37/88/41/1073378841.db2.gz CMYXOCGFMCRATR-SJKOYZFVSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000329697893 1073378835 /nfs/dbraw/zinc/37/88/35/1073378835.db2.gz CMYXOCGFMCRATR-SJKOYZFVSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000329697894 1073378927 /nfs/dbraw/zinc/37/89/27/1073378927.db2.gz CMYXOCGFMCRATR-YVEFUNNKSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000329697894 1073378917 /nfs/dbraw/zinc/37/89/17/1073378917.db2.gz CMYXOCGFMCRATR-YVEFUNNKSA-N 1 2 383.470 -0.305 20 0 GBADLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)C[C@@H]21 ZINC000329722888 530290720 /nfs/dbraw/zinc/29/07/20/530290720.db2.gz NNSYUHBJTLYYCT-QWHCGFSZSA-N 1 2 375.397 -0.216 20 0 GBADLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)C[C@@H]21 ZINC000329722888 530290718 /nfs/dbraw/zinc/29/07/18/530290718.db2.gz NNSYUHBJTLYYCT-QWHCGFSZSA-N 1 2 375.397 -0.216 20 0 GBADLO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329729532 1073381035 /nfs/dbraw/zinc/38/10/35/1073381035.db2.gz FVNVIRAJNLXEQK-HRCADAONSA-N 1 2 399.513 -0.655 20 0 GBADLO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329729533 1073381147 /nfs/dbraw/zinc/38/11/47/1073381147.db2.gz FVNVIRAJNLXEQK-JYJNAYRXSA-N 1 2 399.513 -0.655 20 0 GBADLO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329729535 1073381026 /nfs/dbraw/zinc/38/10/26/1073381026.db2.gz FVNVIRAJNLXEQK-OWCLPIDISA-N 1 2 399.513 -0.655 20 0 GBADLO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329729538 1073381163 /nfs/dbraw/zinc/38/11/63/1073381163.db2.gz FVNVIRAJNLXEQK-PMPSAXMXSA-N 1 2 399.513 -0.655 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329746755 530290696 /nfs/dbraw/zinc/29/06/96/530290696.db2.gz YYKREGHEHBHSFB-GFCCVEGCSA-N 1 2 391.519 -0.416 20 0 GBADLO CS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329756438 1073382314 /nfs/dbraw/zinc/38/23/14/1073382314.db2.gz YQJIOZPAZQAYCO-CABCVRRESA-N 1 2 387.502 -0.797 20 0 GBADLO CS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329756439 1073382276 /nfs/dbraw/zinc/38/22/76/1073382276.db2.gz YQJIOZPAZQAYCO-GJZGRUSLSA-N 1 2 387.502 -0.797 20 0 GBADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329756440 1073382494 /nfs/dbraw/zinc/38/24/94/1073382494.db2.gz YQJIOZPAZQAYCO-HUUCEWRRSA-N 1 2 387.502 -0.797 20 0 GBADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329756441 1073382326 /nfs/dbraw/zinc/38/23/26/1073382326.db2.gz YQJIOZPAZQAYCO-LSDHHAIUSA-N 1 2 387.502 -0.797 20 0 GBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)[NH+]1CCN(C)CC1 ZINC000329774107 1072548978 /nfs/dbraw/zinc/54/89/78/1072548978.db2.gz LYHYFNRASXJVFA-AWEZNQCLSA-N 1 2 385.490 -0.716 20 0 GBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)[NH+]1CCN(C)CC1 ZINC000329774108 1072548330 /nfs/dbraw/zinc/54/83/30/1072548330.db2.gz LYHYFNRASXJVFA-CQSZACIVSA-N 1 2 385.490 -0.716 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCSC3)CC2)CC1 ZINC000329784668 530291088 /nfs/dbraw/zinc/29/10/88/530291088.db2.gz PLNBGPWWDZDBFQ-AWEZNQCLSA-N 1 2 376.548 -0.234 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCSC3)CC2)CC1 ZINC000329784673 530291149 /nfs/dbraw/zinc/29/11/49/530291149.db2.gz PLNBGPWWDZDBFQ-CQSZACIVSA-N 1 2 376.548 -0.234 20 0 GBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cn1C ZINC000329792105 1073383134 /nfs/dbraw/zinc/38/31/34/1073383134.db2.gz FFFGGJQFQIXNGB-AWEZNQCLSA-N 1 2 385.490 -0.670 20 0 GBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cn1C ZINC000329792108 1072552863 /nfs/dbraw/zinc/55/28/63/1072552863.db2.gz FFFGGJQFQIXNGB-CQSZACIVSA-N 1 2 385.490 -0.670 20 0 GBADLO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329793914 1073382716 /nfs/dbraw/zinc/38/27/16/1073382716.db2.gz FVNVIRAJNLXEQK-ARFHVFGLSA-N 1 2 399.513 -0.655 20 0 GBADLO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329793915 1073382919 /nfs/dbraw/zinc/38/29/19/1073382919.db2.gz FVNVIRAJNLXEQK-XHSDSOJGSA-N 1 2 399.513 -0.655 20 0 GBADLO C[C@@H]1OCC[C@@]12CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C[C@@H](C)O2 ZINC000329836469 1073384680 /nfs/dbraw/zinc/38/46/80/1073384680.db2.gz HUNZDLLSRJPLNQ-AXVVYFOYSA-N 1 2 395.500 -0.038 20 0 GBADLO C[C@H]1OCC[C@]12CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C[C@@H](C)O2 ZINC000329836471 1073384576 /nfs/dbraw/zinc/38/45/76/1073384576.db2.gz HUNZDLLSRJPLNQ-VIPLHTEESA-N 1 2 395.500 -0.038 20 0 GBADLO C[C@H]1OCC[C@@]12CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C[C@@H](C)O2 ZINC000329836473 1073384618 /nfs/dbraw/zinc/38/46/18/1073384618.db2.gz HUNZDLLSRJPLNQ-WOCWXWTJSA-N 1 2 395.500 -0.038 20 0 GBADLO C[C@@H]1OCC[C@]12CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C[C@@H](C)O2 ZINC000329836474 1073384772 /nfs/dbraw/zinc/38/47/72/1073384772.db2.gz HUNZDLLSRJPLNQ-YZLZLFLDSA-N 1 2 395.500 -0.038 20 0 GBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ncccc1F ZINC000329873783 1073386167 /nfs/dbraw/zinc/38/61/67/1073386167.db2.gz FBIAGQXCYRZIBT-AWEZNQCLSA-N 1 2 399.492 -0.039 20 0 GBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ncccc1F ZINC000329873784 1073386288 /nfs/dbraw/zinc/38/62/88/1073386288.db2.gz FBIAGQXCYRZIBT-CQSZACIVSA-N 1 2 399.492 -0.039 20 0 GBADLO C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC2(CCOCC2)O1 ZINC000329882758 1073385999 /nfs/dbraw/zinc/38/59/99/1073385999.db2.gz QHXRGYGEBYLKDB-DLBZAZTESA-N 1 2 395.500 -0.036 20 0 GBADLO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC2(CCOCC2)O1 ZINC000329882759 1073386362 /nfs/dbraw/zinc/38/63/62/1073386362.db2.gz QHXRGYGEBYLKDB-IAGOWNOFSA-N 1 2 395.500 -0.036 20 0 GBADLO C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC2(CCOCC2)O1 ZINC000329882760 1073386119 /nfs/dbraw/zinc/38/61/19/1073386119.db2.gz QHXRGYGEBYLKDB-IRXDYDNUSA-N 1 2 395.500 -0.036 20 0 GBADLO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC2(CCOCC2)O1 ZINC000329882761 1073385978 /nfs/dbraw/zinc/38/59/78/1073385978.db2.gz QHXRGYGEBYLKDB-SJORKVTESA-N 1 2 395.500 -0.036 20 0 GBADLO Cc1cc(=O)[nH]cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329890316 1073386787 /nfs/dbraw/zinc/38/67/87/1073386787.db2.gz GBMZOLBUALMAGZ-UHFFFAOYSA-N 1 2 383.474 -0.654 20 0 GBADLO CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000329896264 1073386806 /nfs/dbraw/zinc/38/68/06/1073386806.db2.gz CICNSWCFAXFXNS-UHFFFAOYSA-N 1 2 398.533 -0.207 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3csc(=O)[nH]3)CC2)CC1 ZINC000329903411 530291192 /nfs/dbraw/zinc/29/11/92/530291192.db2.gz IIDASLKALOEVTK-UHFFFAOYSA-N 1 2 375.476 -0.901 20 0 GBADLO COC1CCN(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000329909530 1073387368 /nfs/dbraw/zinc/38/73/68/1073387368.db2.gz MOSVXHOWUZSTIW-UHFFFAOYSA-N 1 2 389.522 -0.673 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000329916580 1073388022 /nfs/dbraw/zinc/38/80/22/1073388022.db2.gz YYBYOKDJWMROEJ-ILXRZTDVSA-N 1 2 387.502 -0.799 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000329916581 1073387914 /nfs/dbraw/zinc/38/79/14/1073387914.db2.gz YYBYOKDJWMROEJ-KFWWJZLASA-N 1 2 387.502 -0.799 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000329916582 1073388245 /nfs/dbraw/zinc/38/82/45/1073388245.db2.gz YYBYOKDJWMROEJ-QLFBSQMISA-N 1 2 387.502 -0.799 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000329916583 1073388257 /nfs/dbraw/zinc/38/82/57/1073388257.db2.gz YYBYOKDJWMROEJ-RBSFLKMASA-N 1 2 387.502 -0.799 20 0 GBADLO COCCC1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000329919194 1073388138 /nfs/dbraw/zinc/38/81/38/1073388138.db2.gz RMSFZMGSFWTIPH-UHFFFAOYSA-N 1 2 388.534 -0.170 20 0 GBADLO CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1C ZINC000329923419 1073387889 /nfs/dbraw/zinc/38/78/89/1073387889.db2.gz UJEDZGDJZDGPTE-UHFFFAOYSA-N 1 2 398.533 -0.207 20 0 GBADLO CC(C)c1n[nH]cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329956513 1073389759 /nfs/dbraw/zinc/38/97/59/1073389759.db2.gz LGSYCGDFVPGRIQ-UHFFFAOYSA-N 1 2 384.506 -0.217 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CCC3(C)CC3)CC2)CC1 ZINC000329969592 530291406 /nfs/dbraw/zinc/29/14/06/530291406.db2.gz WRILBGGOTMLWCF-UHFFFAOYSA-N 1 2 394.563 -0.384 20 0 GBADLO C[C@H]1C(=O)CC[C@H]1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329996058 1073391315 /nfs/dbraw/zinc/39/13/15/1073391315.db2.gz OGBBTDRGBNVLKG-CABCVRRESA-N 1 2 386.518 -0.372 20 0 GBADLO C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329996059 1073391642 /nfs/dbraw/zinc/39/16/42/1073391642.db2.gz OGBBTDRGBNVLKG-GJZGRUSLSA-N 1 2 386.518 -0.372 20 0 GBADLO C[C@H]1C(=O)CC[C@@H]1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329996060 1073391721 /nfs/dbraw/zinc/39/17/21/1073391721.db2.gz OGBBTDRGBNVLKG-HUUCEWRRSA-N 1 2 386.518 -0.372 20 0 GBADLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329996061 1073391626 /nfs/dbraw/zinc/39/16/26/1073391626.db2.gz OGBBTDRGBNVLKG-LSDHHAIUSA-N 1 2 386.518 -0.372 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CC3CCCC3)CC2)CC1 ZINC000330021108 530291394 /nfs/dbraw/zinc/29/13/94/530291394.db2.gz XHBVACKUDRQFOD-UHFFFAOYSA-N 1 2 394.563 -0.384 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000330037923 530291581 /nfs/dbraw/zinc/29/15/81/530291581.db2.gz DQJLZXUJZXAPTH-KBPBESRZSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000330037923 530291579 /nfs/dbraw/zinc/29/15/79/530291579.db2.gz DQJLZXUJZXAPTH-KBPBESRZSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000330037924 530291412 /nfs/dbraw/zinc/29/14/12/530291412.db2.gz DQJLZXUJZXAPTH-KGLIPLIRSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000330037924 530291411 /nfs/dbraw/zinc/29/14/11/530291411.db2.gz DQJLZXUJZXAPTH-KGLIPLIRSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000330037925 530291383 /nfs/dbraw/zinc/29/13/83/530291383.db2.gz DQJLZXUJZXAPTH-UONOGXRCSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000330037925 530291382 /nfs/dbraw/zinc/29/13/82/530291382.db2.gz DQJLZXUJZXAPTH-UONOGXRCSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000330037926 530291643 /nfs/dbraw/zinc/29/16/43/530291643.db2.gz DQJLZXUJZXAPTH-ZIAGYGMSSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000330037926 530291642 /nfs/dbraw/zinc/29/16/42/530291642.db2.gz DQJLZXUJZXAPTH-ZIAGYGMSSA-N 1 2 397.563 -0.625 20 0 GBADLO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000330039165 530132770 /nfs/dbraw/zinc/13/27/70/530132770.db2.gz AWGLZRAHZNXMLM-HNNXBMFYSA-N 1 2 395.547 -0.606 20 0 GBADLO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000330039166 530133594 /nfs/dbraw/zinc/13/35/94/530133594.db2.gz AWGLZRAHZNXMLM-OAHLLOKOSA-N 1 2 395.547 -0.606 20 0 GBADLO CC1(C)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@]2(CCOC2)O1 ZINC000330040539 1073393195 /nfs/dbraw/zinc/39/31/95/1073393195.db2.gz CDVXLJFLFVXZTM-JXFKEZNVSA-N 1 2 395.500 -0.036 20 0 GBADLO CC1(C)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@]2(CCOC2)O1 ZINC000330040540 1073392743 /nfs/dbraw/zinc/39/27/43/1073392743.db2.gz CDVXLJFLFVXZTM-OXJNMPFZSA-N 1 2 395.500 -0.036 20 0 GBADLO CC1(C)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@]2(CCOC2)O1 ZINC000330040541 1073392773 /nfs/dbraw/zinc/39/27/73/1073392773.db2.gz CDVXLJFLFVXZTM-OXQOHEQNSA-N 1 2 395.500 -0.036 20 0 GBADLO CC1(C)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@]2(CCOC2)O1 ZINC000330040542 1073392789 /nfs/dbraw/zinc/39/27/89/1073392789.db2.gz CDVXLJFLFVXZTM-UZLBHIALSA-N 1 2 395.500 -0.036 20 0 GBADLO CC1(C)COCC[N@H+]1CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330050771 530291365 /nfs/dbraw/zinc/29/13/65/530291365.db2.gz MHSQUDWKUJFOOY-UHFFFAOYSA-N 1 2 397.563 -0.312 20 0 GBADLO CC1(C)COCC[N@@H+]1CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330050771 530291363 /nfs/dbraw/zinc/29/13/63/530291363.db2.gz MHSQUDWKUJFOOY-UHFFFAOYSA-N 1 2 397.563 -0.312 20 0 GBADLO CC(C)(CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000330051110 530291529 /nfs/dbraw/zinc/29/15/29/530291529.db2.gz MYOGMQBQQWLNKO-UHFFFAOYSA-N 1 2 397.563 -0.312 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000330057313 530291735 /nfs/dbraw/zinc/29/17/35/530291735.db2.gz XHEGDJDUOGYGCZ-KBPBESRZSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000330057313 530291733 /nfs/dbraw/zinc/29/17/33/530291733.db2.gz XHEGDJDUOGYGCZ-KBPBESRZSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000330057314 530291851 /nfs/dbraw/zinc/29/18/51/530291851.db2.gz XHEGDJDUOGYGCZ-KGLIPLIRSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000330057314 530291850 /nfs/dbraw/zinc/29/18/50/530291850.db2.gz XHEGDJDUOGYGCZ-KGLIPLIRSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000330057315 530291880 /nfs/dbraw/zinc/29/18/80/530291880.db2.gz XHEGDJDUOGYGCZ-UONOGXRCSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000330057315 530291878 /nfs/dbraw/zinc/29/18/78/530291878.db2.gz XHEGDJDUOGYGCZ-UONOGXRCSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000330057316 530291953 /nfs/dbraw/zinc/29/19/53/530291953.db2.gz XHEGDJDUOGYGCZ-ZIAGYGMSSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000330057316 530291951 /nfs/dbraw/zinc/29/19/51/530291951.db2.gz XHEGDJDUOGYGCZ-ZIAGYGMSSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330057326 530291874 /nfs/dbraw/zinc/29/18/74/530291874.db2.gz XHVSUFZFYJIENQ-AWEZNQCLSA-N 1 2 397.563 -0.360 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330057327 530291814 /nfs/dbraw/zinc/29/18/14/530291814.db2.gz XHVSUFZFYJIENQ-CQSZACIVSA-N 1 2 397.563 -0.360 20 0 GBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330079550 530291992 /nfs/dbraw/zinc/29/19/92/530291992.db2.gz IRYZTCCJTGHQDP-HNNXBMFYSA-N 1 2 397.563 -0.624 20 0 GBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330079551 530291910 /nfs/dbraw/zinc/29/19/10/530291910.db2.gz IRYZTCCJTGHQDP-OAHLLOKOSA-N 1 2 397.563 -0.624 20 0 GBADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330081966 530291827 /nfs/dbraw/zinc/29/18/27/530291827.db2.gz KBQOLLWBHWLLQB-HNNXBMFYSA-N 1 2 397.563 -0.624 20 0 GBADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330081967 530291727 /nfs/dbraw/zinc/29/17/27/530291727.db2.gz KBQOLLWBHWLLQB-OAHLLOKOSA-N 1 2 397.563 -0.624 20 0 GBADLO CC1(C)C[N@@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000330094055 530291858 /nfs/dbraw/zinc/29/18/58/530291858.db2.gz SIEXUJKSVKBXAP-UHFFFAOYSA-N 1 2 397.563 -0.312 20 0 GBADLO CC1(C)C[N@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000330094055 530291857 /nfs/dbraw/zinc/29/18/57/530291857.db2.gz SIEXUJKSVKBXAP-UHFFFAOYSA-N 1 2 397.563 -0.312 20 0 GBADLO COCC[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000330095583 530291965 /nfs/dbraw/zinc/29/19/65/530291965.db2.gz VTQQNJGCJSLRSG-AWEZNQCLSA-N 1 2 397.563 -0.360 20 0 GBADLO COCC[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000330095583 530291963 /nfs/dbraw/zinc/29/19/63/530291963.db2.gz VTQQNJGCJSLRSG-AWEZNQCLSA-N 1 2 397.563 -0.360 20 0 GBADLO COCC[N@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000330095584 530291792 /nfs/dbraw/zinc/29/17/92/530291792.db2.gz VTQQNJGCJSLRSG-CQSZACIVSA-N 1 2 397.563 -0.360 20 0 GBADLO COCC[N@@H+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000330095584 530291790 /nfs/dbraw/zinc/29/17/90/530291790.db2.gz VTQQNJGCJSLRSG-CQSZACIVSA-N 1 2 397.563 -0.360 20 0 GBADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)CCN2C1=O ZINC000330097279 530291867 /nfs/dbraw/zinc/29/18/67/530291867.db2.gz APNBLQAMCXHTIE-CHWSQXEVSA-N 1 2 398.257 -0.169 20 0 GBADLO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Br)cc3)CCN2C1=O ZINC000330097279 530291864 /nfs/dbraw/zinc/29/18/64/530291864.db2.gz APNBLQAMCXHTIE-CHWSQXEVSA-N 1 2 398.257 -0.169 20 0 GBADLO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Br)cc3)CCN2C1=O ZINC000330097280 530291767 /nfs/dbraw/zinc/29/17/67/530291767.db2.gz APNBLQAMCXHTIE-OLZOCXBDSA-N 1 2 398.257 -0.169 20 0 GBADLO O=C1NC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Br)cc3)CCN2C1=O ZINC000330097280 530291765 /nfs/dbraw/zinc/29/17/65/530291765.db2.gz APNBLQAMCXHTIE-OLZOCXBDSA-N 1 2 398.257 -0.169 20 0 GBADLO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)CCN2C1=O ZINC000330097282 530292009 /nfs/dbraw/zinc/29/20/09/530292009.db2.gz APNBLQAMCXHTIE-QWHCGFSZSA-N 1 2 398.257 -0.169 20 0 GBADLO O=C1NC[C@H]2C[N@H+](C[C@@H](O)COc3ccc(Br)cc3)CCN2C1=O ZINC000330097282 530292006 /nfs/dbraw/zinc/29/20/06/530292006.db2.gz APNBLQAMCXHTIE-QWHCGFSZSA-N 1 2 398.257 -0.169 20 0 GBADLO O=C1NC[C@H]2C[N@@H+](C[C@H](O)COc3ccc(Br)cc3)CCN2C1=O ZINC000330097283 530291847 /nfs/dbraw/zinc/29/18/47/530291847.db2.gz APNBLQAMCXHTIE-STQMWFEESA-N 1 2 398.257 -0.169 20 0 GBADLO O=C1NC[C@H]2C[N@H+](C[C@H](O)COc3ccc(Br)cc3)CCN2C1=O ZINC000330097283 530291845 /nfs/dbraw/zinc/29/18/45/530291845.db2.gz APNBLQAMCXHTIE-STQMWFEESA-N 1 2 398.257 -0.169 20 0 GBADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330097686 530291980 /nfs/dbraw/zinc/29/19/80/530291980.db2.gz YOKMIFKBKUUTPV-UHFFFAOYSA-N 1 2 397.563 -0.624 20 0 GBADLO Cc1nc(S(=O)(=O)N2CC[NH+](CCC(=O)N3CCOCC3)CC2)cn1C ZINC000330103208 1073395252 /nfs/dbraw/zinc/39/52/52/1073395252.db2.gz GREVWCVSCSNVNZ-UHFFFAOYSA-N 1 2 385.490 -0.716 20 0 GBADLO O=C(CN1CCN2C(=O)C(=O)NC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000330112876 1073396683 /nfs/dbraw/zinc/39/66/83/1073396683.db2.gz CIDHQJYBQDJDLF-HNNXBMFYSA-N 1 2 391.497 -0.965 20 0 GBADLO O=C(CN1CCN2C(=O)C(=O)NC[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000330112877 1073396300 /nfs/dbraw/zinc/39/63/00/1073396300.db2.gz CIDHQJYBQDJDLF-OAHLLOKOSA-N 1 2 391.497 -0.965 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[NH+]3CCN(C)CC3)CC2)cn1C ZINC000330142863 1073397137 /nfs/dbraw/zinc/39/71/37/1073397137.db2.gz YMRHSTHOASYHIT-AWEZNQCLSA-N 1 2 398.533 -0.803 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[NH+]3CCN(C)CC3)CC2)cn1C ZINC000330142866 1073397736 /nfs/dbraw/zinc/39/77/36/1073397736.db2.gz YMRHSTHOASYHIT-CQSZACIVSA-N 1 2 398.533 -0.803 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000330148460 530292204 /nfs/dbraw/zinc/29/22/04/530292204.db2.gz MFTVVPGNMKKTKQ-UHFFFAOYSA-N 1 2 387.487 -0.712 20 0 GBADLO C[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC000330151671 530292273 /nfs/dbraw/zinc/29/22/73/530292273.db2.gz NPYXPQBXIXHQQG-AWEZNQCLSA-N 1 2 397.563 -0.454 20 0 GBADLO C[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC000330151673 530292284 /nfs/dbraw/zinc/29/22/84/530292284.db2.gz NPYXPQBXIXHQQG-CQSZACIVSA-N 1 2 397.563 -0.454 20 0 GBADLO CC(C)N1CCC[C@H](N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000330165640 1073398160 /nfs/dbraw/zinc/39/81/60/1073398160.db2.gz XDFSQNFFMRFEHY-INIZCTEOSA-N 1 2 387.550 -0.504 20 0 GBADLO CC(C)N1CCC[C@@H](N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000330165641 1073398717 /nfs/dbraw/zinc/39/87/17/1073398717.db2.gz XDFSQNFFMRFEHY-MRXNPFEDSA-N 1 2 387.550 -0.504 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS[C@@H]2COCC[C@H]21 ZINC000330179326 1073399782 /nfs/dbraw/zinc/39/97/82/1073399782.db2.gz FHFBZIXRRQCBFC-ARFHVFGLSA-N 1 2 383.514 -0.100 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000330179327 1073399933 /nfs/dbraw/zinc/39/99/33/1073399933.db2.gz FHFBZIXRRQCBFC-HRCADAONSA-N 1 2 383.514 -0.100 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS[C@H]2COCC[C@@H]21 ZINC000330179328 1073399868 /nfs/dbraw/zinc/39/98/68/1073399868.db2.gz FHFBZIXRRQCBFC-JYJNAYRXSA-N 1 2 383.514 -0.100 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS[C@H]2COCC[C@H]21 ZINC000330179329 1073399694 /nfs/dbraw/zinc/39/96/94/1073399694.db2.gz FHFBZIXRRQCBFC-XHSDSOJGSA-N 1 2 383.514 -0.100 20 0 GBADLO Cn1ncc(Br)c1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000330189119 530292194 /nfs/dbraw/zinc/29/21/94/530292194.db2.gz UXSYXBQMWCAGFN-AAEUAGOBSA-N 1 2 393.307 -0.230 20 0 GBADLO Cn1ncc(Br)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000330189123 530292368 /nfs/dbraw/zinc/29/23/68/530292368.db2.gz UXSYXBQMWCAGFN-DGCLKSJQSA-N 1 2 393.307 -0.230 20 0 GBADLO Cn1ncc(Br)c1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000330189125 530292167 /nfs/dbraw/zinc/29/21/67/530292167.db2.gz UXSYXBQMWCAGFN-WCQYABFASA-N 1 2 393.307 -0.230 20 0 GBADLO Cn1ncc(Br)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000330189127 530292372 /nfs/dbraw/zinc/29/23/72/530292372.db2.gz UXSYXBQMWCAGFN-YPMHNXCESA-N 1 2 393.307 -0.230 20 0 GBADLO CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330263756 1073401948 /nfs/dbraw/zinc/40/19/48/1073401948.db2.gz WYRSHFJHKANNMK-CVEARBPZSA-N 1 2 388.534 -0.172 20 0 GBADLO CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330263757 1073401897 /nfs/dbraw/zinc/40/18/97/1073401897.db2.gz WYRSHFJHKANNMK-HOTGVXAUSA-N 1 2 388.534 -0.172 20 0 GBADLO CC[C@H]1OCCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330263758 1073401968 /nfs/dbraw/zinc/40/19/68/1073401968.db2.gz WYRSHFJHKANNMK-HZPDHXFCSA-N 1 2 388.534 -0.172 20 0 GBADLO CC[C@H]1OCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330263759 1073401812 /nfs/dbraw/zinc/40/18/12/1073401812.db2.gz WYRSHFJHKANNMK-JKSUJKDBSA-N 1 2 388.534 -0.172 20 0 GBADLO CSC1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000330270198 530292759 /nfs/dbraw/zinc/29/27/59/530292759.db2.gz SZNUYLATEYQCSQ-UHFFFAOYSA-N 1 2 376.548 -0.092 20 0 GBADLO C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC000330280119 1073402744 /nfs/dbraw/zinc/40/27/44/1073402744.db2.gz RZWVJEAQLLBGMX-CABCVRRESA-N 1 2 387.502 -0.797 20 0 GBADLO C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC000330280120 1073402617 /nfs/dbraw/zinc/40/26/17/1073402617.db2.gz RZWVJEAQLLBGMX-GJZGRUSLSA-N 1 2 387.502 -0.797 20 0 GBADLO C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC000330280121 1073402632 /nfs/dbraw/zinc/40/26/32/1073402632.db2.gz RZWVJEAQLLBGMX-HUUCEWRRSA-N 1 2 387.502 -0.797 20 0 GBADLO C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC000330280122 1073402724 /nfs/dbraw/zinc/40/27/24/1073402724.db2.gz RZWVJEAQLLBGMX-LSDHHAIUSA-N 1 2 387.502 -0.797 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000330323536 1073416055 /nfs/dbraw/zinc/41/60/55/1073416055.db2.gz SYMSZBGIRJRRPL-BBWFWOEESA-N 1 2 393.484 -0.236 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000330323537 1073416151 /nfs/dbraw/zinc/41/61/51/1073416151.db2.gz SYMSZBGIRJRRPL-BRWVUGGUSA-N 1 2 393.484 -0.236 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000330323538 1073416125 /nfs/dbraw/zinc/41/61/25/1073416125.db2.gz SYMSZBGIRJRRPL-GVDBMIGSSA-N 1 2 393.484 -0.236 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000330323539 1073416138 /nfs/dbraw/zinc/41/61/38/1073416138.db2.gz SYMSZBGIRJRRPL-ZACQAIPSSA-N 1 2 393.484 -0.236 20 0 GBADLO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[S@](=O)C1 ZINC000330330535 1073419079 /nfs/dbraw/zinc/41/90/79/1073419079.db2.gz NKPRCQUSMVFWCY-FBJHADKPSA-N 1 2 385.530 -0.073 20 0 GBADLO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[S@@](=O)C1 ZINC000330330536 1073419210 /nfs/dbraw/zinc/41/92/10/1073419210.db2.gz NKPRCQUSMVFWCY-KVUUWBKYSA-N 1 2 385.530 -0.073 20 0 GBADLO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[S@](=O)C1 ZINC000330330537 1073420236 /nfs/dbraw/zinc/42/02/36/1073420236.db2.gz NKPRCQUSMVFWCY-MOZQLWJVSA-N 1 2 385.530 -0.073 20 0 GBADLO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[S@@](=O)C1 ZINC000330330538 1073420340 /nfs/dbraw/zinc/42/03/40/1073420340.db2.gz NKPRCQUSMVFWCY-YQHYCNIYSA-N 1 2 385.530 -0.073 20 0 GBADLO CC[C@]1(CO)CCC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000330335401 1073420226 /nfs/dbraw/zinc/42/02/26/1073420226.db2.gz ZANYIEMNESTMNZ-AEFFLSMTSA-N 1 2 387.546 -0.198 20 0 GBADLO CC[C@]1(CO)CCC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000330335401 1073420221 /nfs/dbraw/zinc/42/02/21/1073420221.db2.gz ZANYIEMNESTMNZ-AEFFLSMTSA-N 1 2 387.546 -0.198 20 0 GBADLO CC[C@@]1(CO)CCC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000330335402 1073419847 /nfs/dbraw/zinc/41/98/47/1073419847.db2.gz ZANYIEMNESTMNZ-FUHWJXTLSA-N 1 2 387.546 -0.198 20 0 GBADLO CC[C@@]1(CO)CCC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000330335402 1073419841 /nfs/dbraw/zinc/41/98/41/1073419841.db2.gz ZANYIEMNESTMNZ-FUHWJXTLSA-N 1 2 387.546 -0.198 20 0 GBADLO CC[C@@]1(CO)CCC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000330335590 1073420359 /nfs/dbraw/zinc/42/03/59/1073420359.db2.gz ZANYIEMNESTMNZ-SJLPKXTDSA-N 1 2 387.546 -0.198 20 0 GBADLO CC[C@@]1(CO)CCC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000330335590 1073420355 /nfs/dbraw/zinc/42/03/55/1073420355.db2.gz ZANYIEMNESTMNZ-SJLPKXTDSA-N 1 2 387.546 -0.198 20 0 GBADLO CC[C@]1(CO)CCC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000330335591 1073419717 /nfs/dbraw/zinc/41/97/17/1073419717.db2.gz ZANYIEMNESTMNZ-WMZOPIPTSA-N 1 2 387.546 -0.198 20 0 GBADLO CC[C@]1(CO)CCC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000330335591 1073419709 /nfs/dbraw/zinc/41/97/09/1073419709.db2.gz ZANYIEMNESTMNZ-WMZOPIPTSA-N 1 2 387.546 -0.198 20 0 GBADLO CO[C@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000330354497 1073428378 /nfs/dbraw/zinc/42/83/78/1073428378.db2.gz PPPOQEMEJLQGCG-CVEARBPZSA-N 1 2 388.534 -0.172 20 0 GBADLO CO[C@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000330354498 1073428268 /nfs/dbraw/zinc/42/82/68/1073428268.db2.gz PPPOQEMEJLQGCG-HOTGVXAUSA-N 1 2 388.534 -0.172 20 0 GBADLO CO[C@@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000330354499 1073428070 /nfs/dbraw/zinc/42/80/70/1073428070.db2.gz PPPOQEMEJLQGCG-HZPDHXFCSA-N 1 2 388.534 -0.172 20 0 GBADLO CO[C@@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000330354500 1073428031 /nfs/dbraw/zinc/42/80/31/1073428031.db2.gz PPPOQEMEJLQGCG-JKSUJKDBSA-N 1 2 388.534 -0.172 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000330370276 530273983 /nfs/dbraw/zinc/27/39/83/530273983.db2.gz DYMTZXQXJHIJDN-UHFFFAOYSA-N 1 2 390.531 -0.657 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)cc1 ZINC000330370276 530273980 /nfs/dbraw/zinc/27/39/80/530273980.db2.gz DYMTZXQXJHIJDN-UHFFFAOYSA-N 1 2 390.531 -0.657 20 0 GBADLO CN(C1CC[NH+](CCNS(=O)(=O)c2cnn(C)c2)CC1)S(C)(=O)=O ZINC000330370524 530273797 /nfs/dbraw/zinc/27/37/97/530273797.db2.gz FPHXIYMIUUALAS-UHFFFAOYSA-N 1 2 379.508 -0.946 20 0 GBADLO CCN(C1CC[NH+](CCNS(=O)(=O)c2cnn(C)c2)CC1)S(C)(=O)=O ZINC000330372381 530274084 /nfs/dbraw/zinc/27/40/84/530274084.db2.gz KGFSBFFFFURQPZ-UHFFFAOYSA-N 1 2 393.535 -0.556 20 0 GBADLO CN(C)S(=O)(=O)CCC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000330380950 530273926 /nfs/dbraw/zinc/27/39/26/530273926.db2.gz VJDQXBHRDNDJMG-UHFFFAOYSA-N 1 2 380.492 -0.597 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cn1 ZINC000330382077 530273768 /nfs/dbraw/zinc/27/37/68/530273768.db2.gz WVHXYSYEQLGBTM-GFCCVEGCSA-N 1 2 379.508 -0.898 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cn1 ZINC000330382077 530273765 /nfs/dbraw/zinc/27/37/65/530273765.db2.gz WVHXYSYEQLGBTM-GFCCVEGCSA-N 1 2 379.508 -0.898 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cn1 ZINC000330382078 530274060 /nfs/dbraw/zinc/27/40/60/530274060.db2.gz WVHXYSYEQLGBTM-LBPRGKRZSA-N 1 2 379.508 -0.898 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cn1 ZINC000330382078 530274057 /nfs/dbraw/zinc/27/40/57/530274057.db2.gz WVHXYSYEQLGBTM-LBPRGKRZSA-N 1 2 379.508 -0.898 20 0 GBADLO CCS(=O)(=O)N(C)C1CC[NH+](CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000330383675 530274091 /nfs/dbraw/zinc/27/40/91/530274091.db2.gz YPWXSRPTNGIVGJ-UHFFFAOYSA-N 1 2 393.535 -0.556 20 0 GBADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000330423189 530274075 /nfs/dbraw/zinc/27/40/75/530274075.db2.gz ZHKRJOGWHQOCHQ-UHFFFAOYSA-N 1 2 376.504 -0.734 20 0 GBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N2CCC[C@H](NC(C)=O)C2)CC1 ZINC000330445141 1073147901 /nfs/dbraw/zinc/14/79/01/1073147901.db2.gz CUNPVKFASFQTEG-INIZCTEOSA-N 1 2 388.534 -0.093 20 0 GBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000330445142 1073147806 /nfs/dbraw/zinc/14/78/06/1073147806.db2.gz CUNPVKFASFQTEG-MRXNPFEDSA-N 1 2 388.534 -0.093 20 0 GBADLO COC(=O)C(C)(C)CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330450832 530274459 /nfs/dbraw/zinc/27/44/59/530274459.db2.gz UGWXOYJKHAOETG-UHFFFAOYSA-N 1 2 376.523 -0.315 20 0 GBADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000330454027 1073146905 /nfs/dbraw/zinc/14/69/05/1073146905.db2.gz MIGQKUJIEYPMMJ-CABCVRRESA-N 1 2 388.534 -0.235 20 0 GBADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000330454027 1073146903 /nfs/dbraw/zinc/14/69/03/1073146903.db2.gz MIGQKUJIEYPMMJ-CABCVRRESA-N 1 2 388.534 -0.235 20 0 GBADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000330454037 1073147094 /nfs/dbraw/zinc/14/70/94/1073147094.db2.gz MIGQKUJIEYPMMJ-GJZGRUSLSA-N 1 2 388.534 -0.235 20 0 GBADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000330454037 1073147088 /nfs/dbraw/zinc/14/70/88/1073147088.db2.gz MIGQKUJIEYPMMJ-GJZGRUSLSA-N 1 2 388.534 -0.235 20 0 GBADLO CC[NH+](CC)CC(=O)N1CCN(C(=O)C2(S(C)(=O)=O)CCOCC2)CC1 ZINC000330480109 1073147808 /nfs/dbraw/zinc/14/78/08/1073147808.db2.gz MWGQUHAXZMOEAA-UHFFFAOYSA-N 1 2 389.518 -0.407 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000330487037 530274202 /nfs/dbraw/zinc/27/42/02/530274202.db2.gz GARKMMUXUFDRAT-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO CC(C)NS(=O)(=O)N1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000330488096 530274406 /nfs/dbraw/zinc/27/44/06/530274406.db2.gz IWYHLJNJWUXOLG-UHFFFAOYSA-N 1 2 375.495 -0.228 20 0 GBADLO C[C@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C[NH+]1CCN(C)CC1 ZINC000330494815 530274654 /nfs/dbraw/zinc/27/46/54/530274654.db2.gz VQMYJZZAAOGHQN-CYBMUJFWSA-N 1 2 390.531 -0.504 20 0 GBADLO C[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C[NH+]1CCN(C)CC1 ZINC000330494816 530274913 /nfs/dbraw/zinc/27/49/13/530274913.db2.gz VQMYJZZAAOGHQN-ZDUSSCGKSA-N 1 2 390.531 -0.504 20 0 GBADLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(OC)c(S(N)(=O)=O)s2)CC1 ZINC000330495220 530274814 /nfs/dbraw/zinc/27/48/14/530274814.db2.gz WEKPCTPKWHTVNU-JTQLQIEISA-N 1 2 377.488 -0.067 20 0 GBADLO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(OC)c(S(N)(=O)=O)s2)CC1 ZINC000330495222 530274622 /nfs/dbraw/zinc/27/46/22/530274622.db2.gz WEKPCTPKWHTVNU-SNVBAGLBSA-N 1 2 377.488 -0.067 20 0 GBADLO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC(C)(C)O1 ZINC000330512337 1073148588 /nfs/dbraw/zinc/14/85/88/1073148588.db2.gz CFUKCOAYKUUVCK-AWEZNQCLSA-N 1 2 382.461 -0.832 20 0 GBADLO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC(C)(C)O1 ZINC000330512337 1073148584 /nfs/dbraw/zinc/14/85/84/1073148584.db2.gz CFUKCOAYKUUVCK-AWEZNQCLSA-N 1 2 382.461 -0.832 20 0 GBADLO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC(C)(C)O1 ZINC000330512339 1073148461 /nfs/dbraw/zinc/14/84/61/1073148461.db2.gz CFUKCOAYKUUVCK-CQSZACIVSA-N 1 2 382.461 -0.832 20 0 GBADLO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC(C)(C)O1 ZINC000330512339 1073148455 /nfs/dbraw/zinc/14/84/55/1073148455.db2.gz CFUKCOAYKUUVCK-CQSZACIVSA-N 1 2 382.461 -0.832 20 0 GBADLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000330513742 530274691 /nfs/dbraw/zinc/27/46/91/530274691.db2.gz GTJXDZSMZZIQIE-LLVKDONJSA-N 1 2 381.451 -0.194 20 0 GBADLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000330513742 530274689 /nfs/dbraw/zinc/27/46/89/530274689.db2.gz GTJXDZSMZZIQIE-LLVKDONJSA-N 1 2 381.451 -0.194 20 0 GBADLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000330513743 530274903 /nfs/dbraw/zinc/27/49/03/530274903.db2.gz GTJXDZSMZZIQIE-NSHDSACASA-N 1 2 381.451 -0.194 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000330513743 530274901 /nfs/dbraw/zinc/27/49/01/530274901.db2.gz GTJXDZSMZZIQIE-NSHDSACASA-N 1 2 381.451 -0.194 20 0 GBADLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000330522862 1073149353 /nfs/dbraw/zinc/14/93/53/1073149353.db2.gz AWADHYRGOGUWFY-CYBMUJFWSA-N 1 2 389.474 -0.397 20 0 GBADLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000330522865 1073149225 /nfs/dbraw/zinc/14/92/25/1073149225.db2.gz AWADHYRGOGUWFY-ZDUSSCGKSA-N 1 2 389.474 -0.397 20 0 GBADLO COC(=O)C[C@H]1C(=O)NCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000330524636 1073149046 /nfs/dbraw/zinc/14/90/46/1073149046.db2.gz PVIDJASKZFVKMU-AWEZNQCLSA-N 1 2 377.445 -0.478 20 0 GBADLO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000330524637 1073149259 /nfs/dbraw/zinc/14/92/59/1073149259.db2.gz PVIDJASKZFVKMU-CQSZACIVSA-N 1 2 377.445 -0.478 20 0 GBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000330527220 530274829 /nfs/dbraw/zinc/27/48/29/530274829.db2.gz DIVFMRXBTWIBFU-CABCVRRESA-N 1 2 377.507 -0.800 20 0 GBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000330527222 530274631 /nfs/dbraw/zinc/27/46/31/530274631.db2.gz DIVFMRXBTWIBFU-GJZGRUSLSA-N 1 2 377.507 -0.800 20 0 GBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000330527224 530274589 /nfs/dbraw/zinc/27/45/89/530274589.db2.gz DIVFMRXBTWIBFU-HUUCEWRRSA-N 1 2 377.507 -0.800 20 0 GBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000330527226 530274706 /nfs/dbraw/zinc/27/47/06/530274706.db2.gz DIVFMRXBTWIBFU-LSDHHAIUSA-N 1 2 377.507 -0.800 20 0 GBADLO CNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)o1 ZINC000330527833 530274834 /nfs/dbraw/zinc/27/48/34/530274834.db2.gz QEYFLQGZZLNHDT-GFCCVEGCSA-N 1 2 375.447 -0.739 20 0 GBADLO CNS(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)o1 ZINC000330527834 530274876 /nfs/dbraw/zinc/27/48/76/530274876.db2.gz QEYFLQGZZLNHDT-LBPRGKRZSA-N 1 2 375.447 -0.739 20 0 GBADLO Cc1oc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000330528763 1073149148 /nfs/dbraw/zinc/14/91/48/1073149148.db2.gz FJRLFVNYJOYWMZ-CYBMUJFWSA-N 1 2 389.474 -0.397 20 0 GBADLO Cc1oc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000330528765 1073149444 /nfs/dbraw/zinc/14/94/44/1073149444.db2.gz FJRLFVNYJOYWMZ-ZDUSSCGKSA-N 1 2 389.474 -0.397 20 0 GBADLO CC(C)COCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330539626 530275389 /nfs/dbraw/zinc/27/53/89/530275389.db2.gz LVCCRTOVGNTKAW-UHFFFAOYSA-N 1 2 376.523 -0.315 20 0 GBADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)CC1 ZINC000330545435 1073149416 /nfs/dbraw/zinc/14/94/16/1073149416.db2.gz UVANACDLXTWLEQ-INIZCTEOSA-N 1 2 398.504 -0.739 20 0 GBADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)CC1 ZINC000330545435 1073149414 /nfs/dbraw/zinc/14/94/14/1073149414.db2.gz UVANACDLXTWLEQ-INIZCTEOSA-N 1 2 398.504 -0.739 20 0 GBADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)CC1 ZINC000330545436 1073149120 /nfs/dbraw/zinc/14/91/20/1073149120.db2.gz UVANACDLXTWLEQ-MRXNPFEDSA-N 1 2 398.504 -0.739 20 0 GBADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)CC1 ZINC000330545436 1073149114 /nfs/dbraw/zinc/14/91/14/1073149114.db2.gz UVANACDLXTWLEQ-MRXNPFEDSA-N 1 2 398.504 -0.739 20 0 GBADLO CCCCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330561781 530274839 /nfs/dbraw/zinc/27/48/39/530274839.db2.gz JFAMHXICIMNPOY-HNNXBMFYSA-N 1 2 376.523 -0.172 20 0 GBADLO CCCCO[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330561782 530274670 /nfs/dbraw/zinc/27/46/70/530274670.db2.gz JFAMHXICIMNPOY-OAHLLOKOSA-N 1 2 376.523 -0.172 20 0 GBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000330568806 1073150062 /nfs/dbraw/zinc/15/00/62/1073150062.db2.gz MLNDMAAPQDUANG-MCIONIFRSA-N 1 2 381.454 -0.048 20 0 GBADLO CCC[C@@H](C(=O)OCC)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330576280 530275238 /nfs/dbraw/zinc/27/52/38/530275238.db2.gz OZLWEKBOTGPYDZ-HNNXBMFYSA-N 1 2 376.523 -0.172 20 0 GBADLO CCC[C@H](C(=O)OCC)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330576282 530275293 /nfs/dbraw/zinc/27/52/93/530275293.db2.gz OZLWEKBOTGPYDZ-OAHLLOKOSA-N 1 2 376.523 -0.172 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CS(C)(=O)=O)c2)CC1 ZINC000330592242 530275186 /nfs/dbraw/zinc/27/51/86/530275186.db2.gz ZRJGCGPKWIWMEH-UHFFFAOYSA-N 1 2 389.499 -0.004 20 0 GBADLO CNS(=O)(=O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000330597346 530275370 /nfs/dbraw/zinc/27/53/70/530275370.db2.gz DVNWJHPLIYAKPT-UHFFFAOYSA-N 1 2 391.515 -0.059 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000330619948 530275777 /nfs/dbraw/zinc/27/57/77/530275777.db2.gz IZOVLUVECZWEBN-SECBINFHSA-N 1 2 375.223 -0.452 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000330619948 530275775 /nfs/dbraw/zinc/27/57/75/530275775.db2.gz IZOVLUVECZWEBN-SECBINFHSA-N 1 2 375.223 -0.452 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000330619949 530275664 /nfs/dbraw/zinc/27/56/64/530275664.db2.gz IZOVLUVECZWEBN-VIFPVBQESA-N 1 2 375.223 -0.452 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000330619949 530275663 /nfs/dbraw/zinc/27/56/63/530275663.db2.gz IZOVLUVECZWEBN-VIFPVBQESA-N 1 2 375.223 -0.452 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000330620741 530275772 /nfs/dbraw/zinc/27/57/72/530275772.db2.gz AIUYESQFJXLMBN-GXTWGEPZSA-N 1 2 375.491 -0.200 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000330620741 530275769 /nfs/dbraw/zinc/27/57/69/530275769.db2.gz AIUYESQFJXLMBN-GXTWGEPZSA-N 1 2 375.491 -0.200 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000330620742 530276087 /nfs/dbraw/zinc/27/60/87/530276087.db2.gz AIUYESQFJXLMBN-JSGCOSHPSA-N 1 2 375.491 -0.200 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000330620742 530276085 /nfs/dbraw/zinc/27/60/85/530276085.db2.gz AIUYESQFJXLMBN-JSGCOSHPSA-N 1 2 375.491 -0.200 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000330620743 530275886 /nfs/dbraw/zinc/27/58/86/530275886.db2.gz AIUYESQFJXLMBN-OCCSQVGLSA-N 1 2 375.491 -0.200 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000330620743 530275885 /nfs/dbraw/zinc/27/58/85/530275885.db2.gz AIUYESQFJXLMBN-OCCSQVGLSA-N 1 2 375.491 -0.200 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000330620744 530276023 /nfs/dbraw/zinc/27/60/23/530276023.db2.gz AIUYESQFJXLMBN-TZMCWYRMSA-N 1 2 375.491 -0.200 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000330620744 530276020 /nfs/dbraw/zinc/27/60/20/530276020.db2.gz AIUYESQFJXLMBN-TZMCWYRMSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000330624658 530275875 /nfs/dbraw/zinc/27/58/75/530275875.db2.gz RPYNOTOMWXGJQH-AWEZNQCLSA-N 1 2 376.479 -0.988 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000330624659 530276105 /nfs/dbraw/zinc/27/61/05/530276105.db2.gz RPYNOTOMWXGJQH-CQSZACIVSA-N 1 2 376.479 -0.988 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c(F)c1 ZINC000330638809 530275748 /nfs/dbraw/zinc/27/57/48/530275748.db2.gz ANGPLWXGIXAWBX-UHFFFAOYSA-N 1 2 395.478 -0.114 20 0 GBADLO CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1 ZINC000330638823 530275756 /nfs/dbraw/zinc/27/57/56/530275756.db2.gz AOCSFUIKHGYPPE-UHFFFAOYSA-N 1 2 376.500 -0.080 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c[nH]1 ZINC000330650770 1073151327 /nfs/dbraw/zinc/15/13/27/1073151327.db2.gz HUOHUMAZSZAJRE-UHFFFAOYSA-N 1 2 387.458 -0.351 20 0 GBADLO C[C@@H](CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C[NH+]1CCN(C)CC1 ZINC000330651862 1073151602 /nfs/dbraw/zinc/15/16/02/1073151602.db2.gz QKVASIKHSSASSL-AWEZNQCLSA-N 1 2 385.534 -0.111 20 0 GBADLO C[C@H](CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)C[NH+]1CCN(C)CC1 ZINC000330651863 1073151395 /nfs/dbraw/zinc/15/13/95/1073151395.db2.gz QKVASIKHSSASSL-CQSZACIVSA-N 1 2 385.534 -0.111 20 0 GBADLO CC[C@@H]1CN([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C[C@@H](C)O ZINC000330654966 530275501 /nfs/dbraw/zinc/27/55/01/530275501.db2.gz NQECQHPOLOZHPG-FPCVCCKLSA-N 1 2 375.535 -0.203 20 0 GBADLO CC[C@@H]1CN([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C[C@@H](C)O ZINC000330654966 530275499 /nfs/dbraw/zinc/27/54/99/530275499.db2.gz NQECQHPOLOZHPG-FPCVCCKLSA-N 1 2 375.535 -0.203 20 0 GBADLO CC[C@@H]1CN([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C[C@H](C)O ZINC000330654967 530275466 /nfs/dbraw/zinc/27/54/66/530275466.db2.gz NQECQHPOLOZHPG-JJXSEGSLSA-N 1 2 375.535 -0.203 20 0 GBADLO CC[C@@H]1CN([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C[C@H](C)O ZINC000330654967 530275463 /nfs/dbraw/zinc/27/54/63/530275463.db2.gz NQECQHPOLOZHPG-JJXSEGSLSA-N 1 2 375.535 -0.203 20 0 GBADLO CC[C@@H]1CN([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C[C@@H](C)O ZINC000330654968 530275614 /nfs/dbraw/zinc/27/56/14/530275614.db2.gz NQECQHPOLOZHPG-KLHDSHLOSA-N 1 2 375.535 -0.203 20 0 GBADLO CC[C@@H]1CN([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C[C@@H](C)O ZINC000330654968 530275613 /nfs/dbraw/zinc/27/56/13/530275613.db2.gz NQECQHPOLOZHPG-KLHDSHLOSA-N 1 2 375.535 -0.203 20 0 GBADLO CC[C@@H]1CN([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C[C@H](C)O ZINC000330654969 530275708 /nfs/dbraw/zinc/27/57/08/530275708.db2.gz NQECQHPOLOZHPG-ZJIFWQFVSA-N 1 2 375.535 -0.203 20 0 GBADLO CC[C@@H]1CN([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C[C@H](C)O ZINC000330654969 530275705 /nfs/dbraw/zinc/27/57/05/530275705.db2.gz NQECQHPOLOZHPG-ZJIFWQFVSA-N 1 2 375.535 -0.203 20 0 GBADLO C[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCN1S(C)(=O)=O ZINC000330676111 530276004 /nfs/dbraw/zinc/27/60/04/530276004.db2.gz JYKTYBPAAIXLNE-AWEZNQCLSA-N 1 2 376.523 -0.821 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000330698981 530276205 /nfs/dbraw/zinc/27/62/05/530276205.db2.gz MGBSCGDHWNDJJC-GFCCVEGCSA-N 1 2 376.504 -0.881 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000330698981 530276203 /nfs/dbraw/zinc/27/62/03/530276203.db2.gz MGBSCGDHWNDJJC-GFCCVEGCSA-N 1 2 376.504 -0.881 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000330698983 530276147 /nfs/dbraw/zinc/27/61/47/530276147.db2.gz MGBSCGDHWNDJJC-LBPRGKRZSA-N 1 2 376.504 -0.881 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000330698983 530276144 /nfs/dbraw/zinc/27/61/44/530276144.db2.gz MGBSCGDHWNDJJC-LBPRGKRZSA-N 1 2 376.504 -0.881 20 0 GBADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(=O)n(C)c1=O ZINC000330704575 1073153745 /nfs/dbraw/zinc/15/37/45/1073153745.db2.gz KAORHSYTDNBQJV-GFCCVEGCSA-N 1 2 393.488 -0.277 20 0 GBADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(=O)n(C)c1=O ZINC000330704575 1073153742 /nfs/dbraw/zinc/15/37/42/1073153742.db2.gz KAORHSYTDNBQJV-GFCCVEGCSA-N 1 2 393.488 -0.277 20 0 GBADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(=O)n(C)c1=O ZINC000330704576 1073153512 /nfs/dbraw/zinc/15/35/12/1073153512.db2.gz KAORHSYTDNBQJV-LBPRGKRZSA-N 1 2 393.488 -0.277 20 0 GBADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(=O)n(C)c1=O ZINC000330704576 1073153510 /nfs/dbraw/zinc/15/35/10/1073153510.db2.gz KAORHSYTDNBQJV-LBPRGKRZSA-N 1 2 393.488 -0.277 20 0 GBADLO CNS(=O)(=O)CCC[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000330710552 530275981 /nfs/dbraw/zinc/27/59/81/530275981.db2.gz XEYOLCJIYXAQCI-UHFFFAOYSA-N 1 2 390.531 -0.344 20 0 GBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000330712172 530276060 /nfs/dbraw/zinc/27/60/60/530276060.db2.gz YFPOQADLEGNCBD-GFCCVEGCSA-N 1 2 394.494 -0.279 20 0 GBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000330712172 530276058 /nfs/dbraw/zinc/27/60/58/530276058.db2.gz YFPOQADLEGNCBD-GFCCVEGCSA-N 1 2 394.494 -0.279 20 0 GBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000330712175 530276170 /nfs/dbraw/zinc/27/61/70/530276170.db2.gz YFPOQADLEGNCBD-LBPRGKRZSA-N 1 2 394.494 -0.279 20 0 GBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000330712175 530276167 /nfs/dbraw/zinc/27/61/67/530276167.db2.gz YFPOQADLEGNCBD-LBPRGKRZSA-N 1 2 394.494 -0.279 20 0 GBADLO CS(=O)(=O)NCC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000330714821 530276179 /nfs/dbraw/zinc/27/61/79/530276179.db2.gz SGPLQVNPYIUQBD-UHFFFAOYSA-N 1 2 381.442 -0.176 20 0 GBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330721191 1073153797 /nfs/dbraw/zinc/15/37/97/1073153797.db2.gz XNSPSULJSAJABF-AIANPOQGSA-N 1 2 382.505 -0.027 20 0 GBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330721192 1073153590 /nfs/dbraw/zinc/15/35/90/1073153590.db2.gz XNSPSULJSAJABF-IVSAIRAKSA-N 1 2 382.505 -0.027 20 0 GBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330721192 1073153581 /nfs/dbraw/zinc/15/35/81/1073153581.db2.gz XNSPSULJSAJABF-IVSAIRAKSA-N 1 2 382.505 -0.027 20 0 GBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000330721193 1073153790 /nfs/dbraw/zinc/15/37/90/1073153790.db2.gz XNSPSULJSAJABF-JKQORVJESA-N 1 2 382.505 -0.027 20 0 GBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330721194 1073153658 /nfs/dbraw/zinc/15/36/58/1073153658.db2.gz XNSPSULJSAJABF-QSJFSLAZSA-N 1 2 382.505 -0.027 20 0 GBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330721194 1073153655 /nfs/dbraw/zinc/15/36/55/1073153655.db2.gz XNSPSULJSAJABF-QSJFSLAZSA-N 1 2 382.505 -0.027 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000330725080 530276436 /nfs/dbraw/zinc/27/64/36/530276436.db2.gz DSZLQAZWXFPBSK-CYBMUJFWSA-N 1 2 376.479 -0.941 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000330725081 530276565 /nfs/dbraw/zinc/27/65/65/530276565.db2.gz DSZLQAZWXFPBSK-ZDUSSCGKSA-N 1 2 376.479 -0.941 20 0 GBADLO CCN(CC)C(=O)C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000330743144 1073154781 /nfs/dbraw/zinc/15/47/81/1073154781.db2.gz QYAZOUWVQSQBAG-UHFFFAOYSA-N 1 2 379.461 -0.571 20 0 GBADLO CN(C1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000330748438 1073154177 /nfs/dbraw/zinc/15/41/77/1073154177.db2.gz VNPWVSDMDBXYIK-UHFFFAOYSA-N 1 2 390.550 -0.431 20 0 GBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330750257 530276583 /nfs/dbraw/zinc/27/65/83/530276583.db2.gz URJSODFPXMYABS-DZGCQCFKSA-N 1 2 379.548 -0.116 20 0 GBADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330750259 530276646 /nfs/dbraw/zinc/27/66/46/530276646.db2.gz URJSODFPXMYABS-HIFRSBDPSA-N 1 2 379.548 -0.116 20 0 GBADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330750262 530276427 /nfs/dbraw/zinc/27/64/27/530276427.db2.gz URJSODFPXMYABS-UKRRQHHQSA-N 1 2 379.548 -0.116 20 0 GBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330750264 530276649 /nfs/dbraw/zinc/27/66/49/530276649.db2.gz URJSODFPXMYABS-ZFWWWQNUSA-N 1 2 379.548 -0.116 20 0 GBADLO COCCC[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330755317 530276640 /nfs/dbraw/zinc/27/66/40/530276640.db2.gz YVOHQTDOHRQYOI-HNNXBMFYSA-N 1 2 376.523 -0.315 20 0 GBADLO COCCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330755718 530276345 /nfs/dbraw/zinc/27/63/45/530276345.db2.gz YVOHQTDOHRQYOI-OAHLLOKOSA-N 1 2 376.523 -0.315 20 0 GBADLO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000330766129 1073154339 /nfs/dbraw/zinc/15/43/39/1073154339.db2.gz UOAKCSXELYFGEF-GFCCVEGCSA-N 1 2 393.488 -0.278 20 0 GBADLO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000330766130 1073154471 /nfs/dbraw/zinc/15/44/71/1073154471.db2.gz UOAKCSXELYFGEF-LBPRGKRZSA-N 1 2 393.488 -0.278 20 0 GBADLO CC(C)OCCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330796674 530276385 /nfs/dbraw/zinc/27/63/85/530276385.db2.gz BNLKSJRZROAUDH-UHFFFAOYSA-N 1 2 376.523 -0.172 20 0 GBADLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1C(=O)N(C)C ZINC000330808996 1073155105 /nfs/dbraw/zinc/15/51/05/1073155105.db2.gz NKVNZPVLUODFOR-CYBMUJFWSA-N 1 2 384.502 -0.079 20 0 GBADLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1C(=O)N(C)C ZINC000330808996 1073155104 /nfs/dbraw/zinc/15/51/04/1073155104.db2.gz NKVNZPVLUODFOR-CYBMUJFWSA-N 1 2 384.502 -0.079 20 0 GBADLO COc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1C(=O)N(C)C ZINC000330808997 1073154945 /nfs/dbraw/zinc/15/49/45/1073154945.db2.gz NKVNZPVLUODFOR-ZDUSSCGKSA-N 1 2 384.502 -0.079 20 0 GBADLO COc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1C(=O)N(C)C ZINC000330808997 1073154939 /nfs/dbraw/zinc/15/49/39/1073154939.db2.gz NKVNZPVLUODFOR-ZDUSSCGKSA-N 1 2 384.502 -0.079 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000330823989 530276977 /nfs/dbraw/zinc/27/69/77/530276977.db2.gz GXEYDALPFKWCNW-GXTWGEPZSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000330823989 530276976 /nfs/dbraw/zinc/27/69/76/530276976.db2.gz GXEYDALPFKWCNW-GXTWGEPZSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000330823991 530276749 /nfs/dbraw/zinc/27/67/49/530276749.db2.gz GXEYDALPFKWCNW-JSGCOSHPSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000330823991 530276748 /nfs/dbraw/zinc/27/67/48/530276748.db2.gz GXEYDALPFKWCNW-JSGCOSHPSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000330823993 530276722 /nfs/dbraw/zinc/27/67/22/530276722.db2.gz GXEYDALPFKWCNW-OCCSQVGLSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000330823993 530276720 /nfs/dbraw/zinc/27/67/20/530276720.db2.gz GXEYDALPFKWCNW-OCCSQVGLSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000330823995 530276971 /nfs/dbraw/zinc/27/69/71/530276971.db2.gz GXEYDALPFKWCNW-TZMCWYRMSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000330823995 530276969 /nfs/dbraw/zinc/27/69/69/530276969.db2.gz GXEYDALPFKWCNW-TZMCWYRMSA-N 1 2 375.491 -0.200 20 0 GBADLO C[NH+](C)CCCN(C(=O)[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000330831729 530276942 /nfs/dbraw/zinc/27/69/42/530276942.db2.gz JXANKRXIUFDUCS-KBPBESRZSA-N 1 2 380.532 -0.079 20 0 GBADLO C[NH+](C)CCCN(C(=O)[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000330831731 530277025 /nfs/dbraw/zinc/27/70/25/530277025.db2.gz JXANKRXIUFDUCS-KGLIPLIRSA-N 1 2 380.532 -0.079 20 0 GBADLO C[NH+](C)CCCN(C(=O)[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000330831733 530276923 /nfs/dbraw/zinc/27/69/23/530276923.db2.gz JXANKRXIUFDUCS-UONOGXRCSA-N 1 2 380.532 -0.079 20 0 GBADLO C[NH+](C)CCCN(C(=O)[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000330831735 530276916 /nfs/dbraw/zinc/27/69/16/530276916.db2.gz JXANKRXIUFDUCS-ZIAGYGMSSA-N 1 2 380.532 -0.079 20 0 GBADLO COC(=O)c1cc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1C ZINC000330831737 1073155571 /nfs/dbraw/zinc/15/55/71/1073155571.db2.gz JXBAIADIGMMFPU-UHFFFAOYSA-N 1 2 399.517 -0.579 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000330845038 530277219 /nfs/dbraw/zinc/27/72/19/530277219.db2.gz OKPRAYYDKPVMKH-KBPBESRZSA-N 1 2 375.491 -0.152 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000330845039 530277385 /nfs/dbraw/zinc/27/73/85/530277385.db2.gz OKPRAYYDKPVMKH-KGLIPLIRSA-N 1 2 375.491 -0.152 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000330845040 530277154 /nfs/dbraw/zinc/27/71/54/530277154.db2.gz OKPRAYYDKPVMKH-UONOGXRCSA-N 1 2 375.491 -0.152 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000330845041 530277191 /nfs/dbraw/zinc/27/71/91/530277191.db2.gz OKPRAYYDKPVMKH-ZIAGYGMSSA-N 1 2 375.491 -0.152 20 0 GBADLO COCC[N@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@H]1C ZINC000330852819 530277402 /nfs/dbraw/zinc/27/74/02/530277402.db2.gz QXJVTWBFYYWVIR-GFCCVEGCSA-N 1 2 377.488 -0.325 20 0 GBADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@H]1C ZINC000330852819 530277401 /nfs/dbraw/zinc/27/74/01/530277401.db2.gz QXJVTWBFYYWVIR-GFCCVEGCSA-N 1 2 377.488 -0.325 20 0 GBADLO COCC[N@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000330852820 530277261 /nfs/dbraw/zinc/27/72/61/530277261.db2.gz QXJVTWBFYYWVIR-LBPRGKRZSA-N 1 2 377.488 -0.325 20 0 GBADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000330852820 530277259 /nfs/dbraw/zinc/27/72/59/530277259.db2.gz QXJVTWBFYYWVIR-LBPRGKRZSA-N 1 2 377.488 -0.325 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000330870896 530276911 /nfs/dbraw/zinc/27/69/11/530276911.db2.gz ZRYWUKCHCRCJBR-GXTWGEPZSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000330870896 530276908 /nfs/dbraw/zinc/27/69/08/530276908.db2.gz ZRYWUKCHCRCJBR-GXTWGEPZSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000330870929 530276899 /nfs/dbraw/zinc/27/68/99/530276899.db2.gz ZRYWUKCHCRCJBR-JSGCOSHPSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000330870929 530276895 /nfs/dbraw/zinc/27/68/95/530276895.db2.gz ZRYWUKCHCRCJBR-JSGCOSHPSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000330870931 530277037 /nfs/dbraw/zinc/27/70/37/530277037.db2.gz ZRYWUKCHCRCJBR-OCCSQVGLSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000330870931 530277036 /nfs/dbraw/zinc/27/70/36/530277036.db2.gz ZRYWUKCHCRCJBR-OCCSQVGLSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000330870933 530276837 /nfs/dbraw/zinc/27/68/37/530276837.db2.gz ZRYWUKCHCRCJBR-TZMCWYRMSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000330870933 530276834 /nfs/dbraw/zinc/27/68/34/530276834.db2.gz ZRYWUKCHCRCJBR-TZMCWYRMSA-N 1 2 375.491 -0.071 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000330897708 530277405 /nfs/dbraw/zinc/27/74/05/530277405.db2.gz OMWBTOJGPCWAPS-UHFFFAOYSA-N 1 2 376.504 -0.219 20 0 GBADLO CC(C)(NS(C)(=O)=O)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000330901955 1073157161 /nfs/dbraw/zinc/15/71/61/1073157161.db2.gz PJHFRXZJJIQMTH-UHFFFAOYSA-N 1 2 382.486 -0.243 20 0 GBADLO CCS(=O)(=O)NC1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000330905347 530277330 /nfs/dbraw/zinc/27/73/30/530277330.db2.gz DDBIRWCZFIUQJG-UHFFFAOYSA-N 1 2 383.536 -0.558 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[NH+]2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000330915745 1073158472 /nfs/dbraw/zinc/15/84/72/1073158472.db2.gz KEXRZJQHLNLMIJ-UHFFFAOYSA-N 1 2 390.506 -0.694 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000330917337 530277811 /nfs/dbraw/zinc/27/78/11/530277811.db2.gz LTGAXUFHHFOIBB-AWEZNQCLSA-N 1 2 383.536 -0.558 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000330917338 530277757 /nfs/dbraw/zinc/27/77/57/530277757.db2.gz LTGAXUFHHFOIBB-CQSZACIVSA-N 1 2 383.536 -0.558 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000330920136 1073158438 /nfs/dbraw/zinc/15/84/38/1073158438.db2.gz OXMWBGIQIUHQRN-AWEZNQCLSA-N 1 2 390.506 -0.551 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000330920137 1073158349 /nfs/dbraw/zinc/15/83/49/1073158349.db2.gz OXMWBGIQIUHQRN-CQSZACIVSA-N 1 2 390.506 -0.551 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000330923810 530277712 /nfs/dbraw/zinc/27/77/12/530277712.db2.gz SSUHMWUCQDLNKW-AWEZNQCLSA-N 1 2 383.536 -0.700 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000330923811 530277679 /nfs/dbraw/zinc/27/76/79/530277679.db2.gz SSUHMWUCQDLNKW-CQSZACIVSA-N 1 2 383.536 -0.700 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000330950705 530277611 /nfs/dbraw/zinc/27/76/11/530277611.db2.gz HTEMPWXTESHCAA-UHFFFAOYSA-N 1 2 376.504 -0.185 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[NH+](CC)CC2)CC1 ZINC000330971111 530277693 /nfs/dbraw/zinc/27/76/93/530277693.db2.gz MUERETCPVNWPNM-UHFFFAOYSA-N 1 2 396.579 -0.689 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000330985875 530278086 /nfs/dbraw/zinc/27/80/86/530278086.db2.gz GBDAZCCKTOILNO-AWEZNQCLSA-N 1 2 376.523 -0.268 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000330985876 530278033 /nfs/dbraw/zinc/27/80/33/530278033.db2.gz GBDAZCCKTOILNO-CQSZACIVSA-N 1 2 376.523 -0.268 20 0 GBADLO COC(=O)CCCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000330996375 1073159347 /nfs/dbraw/zinc/15/93/47/1073159347.db2.gz INIAVTGEJWXFMA-UHFFFAOYSA-N 1 2 390.506 -0.644 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CCCCC(N)=O)CC2)CC1 ZINC000331004637 530278245 /nfs/dbraw/zinc/27/82/45/530278245.db2.gz LDRKURZKGPLXNQ-UHFFFAOYSA-N 1 2 375.495 -0.282 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000331024997 530277731 /nfs/dbraw/zinc/27/77/31/530277731.db2.gz UBHABCZKQPXACM-HNNXBMFYSA-N 1 2 377.507 -0.394 20 0 GBADLO COc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)sc1S(N)(=O)=O ZINC000331048296 530278240 /nfs/dbraw/zinc/27/82/40/530278240.db2.gz HHDUVWACGRWAEJ-NXEZZACHSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)sc1S(N)(=O)=O ZINC000331048296 530278239 /nfs/dbraw/zinc/27/82/39/530278239.db2.gz HHDUVWACGRWAEJ-NXEZZACHSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)sc1S(N)(=O)=O ZINC000331048297 530278171 /nfs/dbraw/zinc/27/81/71/530278171.db2.gz HHDUVWACGRWAEJ-UWVGGRQHSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)sc1S(N)(=O)=O ZINC000331048297 530278169 /nfs/dbraw/zinc/27/81/69/530278169.db2.gz HHDUVWACGRWAEJ-UWVGGRQHSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)sc1S(N)(=O)=O ZINC000331048298 530277930 /nfs/dbraw/zinc/27/79/30/530277930.db2.gz HHDUVWACGRWAEJ-VHSXEESVSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)sc1S(N)(=O)=O ZINC000331048298 530277928 /nfs/dbraw/zinc/27/79/28/530277928.db2.gz HHDUVWACGRWAEJ-VHSXEESVSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)sc1S(N)(=O)=O ZINC000331048299 530278064 /nfs/dbraw/zinc/27/80/64/530278064.db2.gz HHDUVWACGRWAEJ-ZJUUUORDSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)sc1S(N)(=O)=O ZINC000331048299 530278063 /nfs/dbraw/zinc/27/80/63/530278063.db2.gz HHDUVWACGRWAEJ-ZJUUUORDSA-N 1 2 377.488 -0.069 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CCOCC(F)F)CC2)CC1 ZINC000331068432 530278528 /nfs/dbraw/zinc/27/85/28/530278528.db2.gz AMIGUSSBSSHEAX-UHFFFAOYSA-N 1 2 384.449 -0.705 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000331070465 530278472 /nfs/dbraw/zinc/27/84/72/530278472.db2.gz SNDMAOJSVHEDBO-UHFFFAOYSA-N 1 2 383.396 -0.066 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)o1 ZINC000331094975 530278416 /nfs/dbraw/zinc/27/84/16/530278416.db2.gz KUVMKQUKGLWJQY-HNNXBMFYSA-N 1 2 375.447 -0.657 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)o1 ZINC000331094976 530278386 /nfs/dbraw/zinc/27/83/86/530278386.db2.gz KUVMKQUKGLWJQY-OAHLLOKOSA-N 1 2 375.447 -0.657 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC[N@H+]1CCO ZINC000331140840 530278845 /nfs/dbraw/zinc/27/88/45/530278845.db2.gz FKGWNMYHGLYAHI-LLVKDONJSA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC[N@@H+]1CCO ZINC000331140840 530278843 /nfs/dbraw/zinc/27/88/43/530278843.db2.gz FKGWNMYHGLYAHI-LLVKDONJSA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC[N@H+]1CCO ZINC000331140841 530278818 /nfs/dbraw/zinc/27/88/18/530278818.db2.gz FKGWNMYHGLYAHI-NSHDSACASA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC[N@@H+]1CCO ZINC000331140841 530278817 /nfs/dbraw/zinc/27/88/17/530278817.db2.gz FKGWNMYHGLYAHI-NSHDSACASA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+]1CCO ZINC000331140853 530278859 /nfs/dbraw/zinc/27/88/59/530278859.db2.gz FLAVRNOSVRQHIH-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+]1CCO ZINC000331140853 530278858 /nfs/dbraw/zinc/27/88/58/530278858.db2.gz FLAVRNOSVRQHIH-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+]1CCO ZINC000331140855 530278883 /nfs/dbraw/zinc/27/88/83/530278883.db2.gz FLAVRNOSVRQHIH-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+]1CCO ZINC000331140855 530278880 /nfs/dbraw/zinc/27/88/80/530278880.db2.gz FLAVRNOSVRQHIH-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC[N@H+]1CCO ZINC000331152925 530278767 /nfs/dbraw/zinc/27/87/67/530278767.db2.gz ITGACAMJGSOTPG-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC[N@@H+]1CCO ZINC000331152925 530278765 /nfs/dbraw/zinc/27/87/65/530278765.db2.gz ITGACAMJGSOTPG-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC[N@H+]1CCO ZINC000331152926 530278869 /nfs/dbraw/zinc/27/88/69/530278869.db2.gz ITGACAMJGSOTPG-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC[N@@H+]1CCO ZINC000331152926 530278868 /nfs/dbraw/zinc/27/88/68/530278868.db2.gz ITGACAMJGSOTPG-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO CCN1CCN(S(=O)(=O)CCNS(=O)(=O)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331156988 530278839 /nfs/dbraw/zinc/27/88/39/530278839.db2.gz DOPQYMHNXANOKP-GFCCVEGCSA-N 1 2 379.508 -0.643 20 0 GBADLO CCN1CCN(S(=O)(=O)CCNS(=O)(=O)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000331156990 530278805 /nfs/dbraw/zinc/27/88/05/530278805.db2.gz DOPQYMHNXANOKP-LBPRGKRZSA-N 1 2 379.508 -0.643 20 0 GBADLO C[NH+](C)[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000331157181 530278911 /nfs/dbraw/zinc/27/89/11/530278911.db2.gz ZEIHBLVXVMXPJA-GFCCVEGCSA-N 1 2 380.492 -0.706 20 0 GBADLO C[NH+](C)[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccco1 ZINC000331157182 530278861 /nfs/dbraw/zinc/27/88/61/530278861.db2.gz ZEIHBLVXVMXPJA-LBPRGKRZSA-N 1 2 380.492 -0.706 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000331165282 530278959 /nfs/dbraw/zinc/27/89/59/530278959.db2.gz BAOVABYFZLLYJA-HNNXBMFYSA-N 1 2 376.523 -0.867 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000331165283 530278749 /nfs/dbraw/zinc/27/87/49/530278749.db2.gz BAOVABYFZLLYJA-OAHLLOKOSA-N 1 2 376.523 -0.867 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC[N@H+]1CCO ZINC000331170404 530290848 /nfs/dbraw/zinc/29/08/48/530290848.db2.gz NUFNWNZFFGLYIB-CYBMUJFWSA-N 1 2 376.500 -0.082 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000331170404 530290846 /nfs/dbraw/zinc/29/08/46/530290846.db2.gz NUFNWNZFFGLYIB-CYBMUJFWSA-N 1 2 376.500 -0.082 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC[N@H+]1CCO ZINC000331170405 530290708 /nfs/dbraw/zinc/29/07/08/530290708.db2.gz NUFNWNZFFGLYIB-ZDUSSCGKSA-N 1 2 376.500 -0.082 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000331170405 530290707 /nfs/dbraw/zinc/29/07/07/530290707.db2.gz NUFNWNZFFGLYIB-ZDUSSCGKSA-N 1 2 376.500 -0.082 20 0 GBADLO Cc1nc(S(=O)(=O)N2CC[NH+](CCCS(=O)(=O)N(C)C)CC2)cn1C ZINC000331189517 530279339 /nfs/dbraw/zinc/27/93/39/530279339.db2.gz VYJHYAGUGLTNGO-UHFFFAOYSA-N 1 2 393.535 -0.684 20 0 GBADLO CNS(=O)(=O)c1csc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000331190426 530279260 /nfs/dbraw/zinc/27/92/60/530279260.db2.gz WKRGJEQQTCYOOI-AWEZNQCLSA-N 1 2 377.488 -0.531 20 0 GBADLO CNS(=O)(=O)c1csc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000331190427 530279245 /nfs/dbraw/zinc/27/92/45/530279245.db2.gz WKRGJEQQTCYOOI-CQSZACIVSA-N 1 2 377.488 -0.531 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC[N@H+]1CCO ZINC000331191787 530279409 /nfs/dbraw/zinc/27/94/09/530279409.db2.gz WGQMXPSQVARMHZ-LLVKDONJSA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC[N@@H+]1CCO ZINC000331191787 530279407 /nfs/dbraw/zinc/27/94/07/530279407.db2.gz WGQMXPSQVARMHZ-LLVKDONJSA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC[N@H+]1CCO ZINC000331191788 530279312 /nfs/dbraw/zinc/27/93/12/530279312.db2.gz WGQMXPSQVARMHZ-NSHDSACASA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC[N@@H+]1CCO ZINC000331191788 530279311 /nfs/dbraw/zinc/27/93/11/530279311.db2.gz WGQMXPSQVARMHZ-NSHDSACASA-N 1 2 395.478 -0.116 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000331199116 530279233 /nfs/dbraw/zinc/27/92/33/530279233.db2.gz ZMUGSWMHVOCMHK-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000331199116 530279232 /nfs/dbraw/zinc/27/92/32/530279232.db2.gz ZMUGSWMHVOCMHK-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000331199117 530279139 /nfs/dbraw/zinc/27/91/39/530279139.db2.gz ZMUGSWMHVOCMHK-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000331199117 530279138 /nfs/dbraw/zinc/27/91/38/530279138.db2.gz ZMUGSWMHVOCMHK-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO CCN(CC)C(=O)C1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000331222135 1073162577 /nfs/dbraw/zinc/16/25/77/1073162577.db2.gz CMQTYTVZOURBEG-GFCCVEGCSA-N 1 2 393.488 -0.182 20 0 GBADLO CCN(CC)C(=O)C1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000331222136 1073162834 /nfs/dbraw/zinc/16/28/34/1073162834.db2.gz CMQTYTVZOURBEG-LBPRGKRZSA-N 1 2 393.488 -0.182 20 0 GBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000331224433 530278722 /nfs/dbraw/zinc/27/87/22/530278722.db2.gz XAOJZHBCHMXJIA-LLVKDONJSA-N 1 2 394.494 -0.279 20 0 GBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000331224433 530278720 /nfs/dbraw/zinc/27/87/20/530278720.db2.gz XAOJZHBCHMXJIA-LLVKDONJSA-N 1 2 394.494 -0.279 20 0 GBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000331224434 530278948 /nfs/dbraw/zinc/27/89/48/530278948.db2.gz XAOJZHBCHMXJIA-NSHDSACASA-N 1 2 394.494 -0.279 20 0 GBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000331224434 530278945 /nfs/dbraw/zinc/27/89/45/530278945.db2.gz XAOJZHBCHMXJIA-NSHDSACASA-N 1 2 394.494 -0.279 20 0 GBADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000331225256 530278824 /nfs/dbraw/zinc/27/88/24/530278824.db2.gz DWUBULMHNPZEIK-LLVKDONJSA-N 1 2 377.488 -0.531 20 0 GBADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000331225257 530278936 /nfs/dbraw/zinc/27/89/36/530278936.db2.gz DWUBULMHNPZEIK-NSHDSACASA-N 1 2 377.488 -0.531 20 0 GBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331234945 1073163661 /nfs/dbraw/zinc/16/36/61/1073163661.db2.gz JXYOFZVYRCRQTJ-KBPBESRZSA-N 1 2 390.506 -0.257 20 0 GBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331234945 1073163655 /nfs/dbraw/zinc/16/36/55/1073163655.db2.gz JXYOFZVYRCRQTJ-KBPBESRZSA-N 1 2 390.506 -0.257 20 0 GBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331234946 1073163505 /nfs/dbraw/zinc/16/35/05/1073163505.db2.gz JXYOFZVYRCRQTJ-KGLIPLIRSA-N 1 2 390.506 -0.257 20 0 GBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331234946 1073163498 /nfs/dbraw/zinc/16/34/98/1073163498.db2.gz JXYOFZVYRCRQTJ-KGLIPLIRSA-N 1 2 390.506 -0.257 20 0 GBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331234947 1073163524 /nfs/dbraw/zinc/16/35/24/1073163524.db2.gz JXYOFZVYRCRQTJ-UONOGXRCSA-N 1 2 390.506 -0.257 20 0 GBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331234947 1073163517 /nfs/dbraw/zinc/16/35/17/1073163517.db2.gz JXYOFZVYRCRQTJ-UONOGXRCSA-N 1 2 390.506 -0.257 20 0 GBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331234948 1073163427 /nfs/dbraw/zinc/16/34/27/1073163427.db2.gz JXYOFZVYRCRQTJ-ZIAGYGMSSA-N 1 2 390.506 -0.257 20 0 GBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331234948 1073163416 /nfs/dbraw/zinc/16/34/16/1073163416.db2.gz JXYOFZVYRCRQTJ-ZIAGYGMSSA-N 1 2 390.506 -0.257 20 0 GBADLO COc1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)sc1S(N)(=O)=O ZINC000331260551 530279669 /nfs/dbraw/zinc/27/96/69/530279669.db2.gz BAPNBUIPESJLBY-UHFFFAOYSA-N 1 2 377.488 -0.067 20 0 GBADLO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(OC)c(S(N)(=O)=O)s2)CC1 ZINC000331267935 530279639 /nfs/dbraw/zinc/27/96/39/530279639.db2.gz KALOKAJOAVRQQA-JTQLQIEISA-N 1 2 377.488 -0.067 20 0 GBADLO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(OC)c(S(N)(=O)=O)s2)CC1 ZINC000331267936 530279597 /nfs/dbraw/zinc/27/95/97/530279597.db2.gz KALOKAJOAVRQQA-SNVBAGLBSA-N 1 2 377.488 -0.067 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000331276296 1073162951 /nfs/dbraw/zinc/16/29/51/1073162951.db2.gz NZHQILVQQAMBRD-UHFFFAOYSA-N 1 2 382.486 -0.123 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000331276717 530279651 /nfs/dbraw/zinc/27/96/51/530279651.db2.gz CSCPDJVWVVWOPW-AWEZNQCLSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000331276717 530279650 /nfs/dbraw/zinc/27/96/50/530279650.db2.gz CSCPDJVWVVWOPW-AWEZNQCLSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000331276718 530279634 /nfs/dbraw/zinc/27/96/34/530279634.db2.gz CSCPDJVWVVWOPW-CQSZACIVSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000331276718 530279632 /nfs/dbraw/zinc/27/96/32/530279632.db2.gz CSCPDJVWVVWOPW-CQSZACIVSA-N 1 2 375.491 -0.200 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000331284120 530279738 /nfs/dbraw/zinc/27/97/38/530279738.db2.gz MLRWCPFRKGBSAX-LLVKDONJSA-N 1 2 395.478 -0.116 20 0 GBADLO CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000331291822 530280127 /nfs/dbraw/zinc/28/01/27/530280127.db2.gz KYRWEEQQOFHFGO-KBPBESRZSA-N 1 2 383.536 -0.512 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000331291823 530280309 /nfs/dbraw/zinc/28/03/09/530280309.db2.gz KYRWEEQQOFHFGO-KGLIPLIRSA-N 1 2 383.536 -0.512 20 0 GBADLO CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000331291824 530280054 /nfs/dbraw/zinc/28/00/54/530280054.db2.gz KYRWEEQQOFHFGO-UONOGXRCSA-N 1 2 383.536 -0.512 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000331291825 530280077 /nfs/dbraw/zinc/28/00/77/530280077.db2.gz KYRWEEQQOFHFGO-ZIAGYGMSSA-N 1 2 383.536 -0.512 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000331296209 530280645 /nfs/dbraw/zinc/28/06/45/530280645.db2.gz SDQRAGWVWNLAFE-CYBMUJFWSA-N 1 2 376.500 -0.082 20 0 GBADLO CCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000331297425 530280626 /nfs/dbraw/zinc/28/06/26/530280626.db2.gz ONUZVLRWZQHKJS-CABCVRRESA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000331297425 530280623 /nfs/dbraw/zinc/28/06/23/530280623.db2.gz ONUZVLRWZQHKJS-CABCVRRESA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000331297426 530280828 /nfs/dbraw/zinc/28/08/28/530280828.db2.gz ONUZVLRWZQHKJS-GJZGRUSLSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000331297426 530280827 /nfs/dbraw/zinc/28/08/27/530280827.db2.gz ONUZVLRWZQHKJS-GJZGRUSLSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000331297427 530280519 /nfs/dbraw/zinc/28/05/19/530280519.db2.gz ONUZVLRWZQHKJS-HUUCEWRRSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000331297427 530280517 /nfs/dbraw/zinc/28/05/17/530280517.db2.gz ONUZVLRWZQHKJS-HUUCEWRRSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000331297428 530280436 /nfs/dbraw/zinc/28/04/36/530280436.db2.gz ONUZVLRWZQHKJS-LSDHHAIUSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000331297428 530280435 /nfs/dbraw/zinc/28/04/35/530280435.db2.gz ONUZVLRWZQHKJS-LSDHHAIUSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000331299277 530280751 /nfs/dbraw/zinc/28/07/51/530280751.db2.gz PTRLIMPSTBPYEZ-CABCVRRESA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@H+](CC(C)(C)O)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000331299277 530280749 /nfs/dbraw/zinc/28/07/49/530280749.db2.gz PTRLIMPSTBPYEZ-CABCVRRESA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000331299278 530280607 /nfs/dbraw/zinc/28/06/07/530280607.db2.gz PTRLIMPSTBPYEZ-GJZGRUSLSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000331299278 530280604 /nfs/dbraw/zinc/28/06/04/530280604.db2.gz PTRLIMPSTBPYEZ-GJZGRUSLSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000331299279 530280800 /nfs/dbraw/zinc/28/08/00/530280800.db2.gz PTRLIMPSTBPYEZ-HUUCEWRRSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@H+](CC(C)(C)O)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000331299279 530280799 /nfs/dbraw/zinc/28/07/99/530280799.db2.gz PTRLIMPSTBPYEZ-HUUCEWRRSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000331299280 530280457 /nfs/dbraw/zinc/28/04/57/530280457.db2.gz PTRLIMPSTBPYEZ-LSDHHAIUSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000331299280 530280455 /nfs/dbraw/zinc/28/04/55/530280455.db2.gz PTRLIMPSTBPYEZ-LSDHHAIUSA-N 1 2 375.535 -0.201 20 0 GBADLO CNS(=O)(=O)NCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000331313205 530280281 /nfs/dbraw/zinc/28/02/81/530280281.db2.gz ICPJNXPHIHGICB-DZGCQCFKSA-N 1 2 390.893 -0.118 20 0 GBADLO CNS(=O)(=O)NCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000331313205 530280279 /nfs/dbraw/zinc/28/02/79/530280279.db2.gz ICPJNXPHIHGICB-DZGCQCFKSA-N 1 2 390.893 -0.118 20 0 GBADLO CNS(=O)(=O)NCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000331313206 530280142 /nfs/dbraw/zinc/28/01/42/530280142.db2.gz ICPJNXPHIHGICB-HIFRSBDPSA-N 1 2 390.893 -0.118 20 0 GBADLO CNS(=O)(=O)NCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000331313206 530280139 /nfs/dbraw/zinc/28/01/39/530280139.db2.gz ICPJNXPHIHGICB-HIFRSBDPSA-N 1 2 390.893 -0.118 20 0 GBADLO CNS(=O)(=O)NCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000331313207 530280194 /nfs/dbraw/zinc/28/01/94/530280194.db2.gz ICPJNXPHIHGICB-UKRRQHHQSA-N 1 2 390.893 -0.118 20 0 GBADLO CNS(=O)(=O)NCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000331313207 530280192 /nfs/dbraw/zinc/28/01/92/530280192.db2.gz ICPJNXPHIHGICB-UKRRQHHQSA-N 1 2 390.893 -0.118 20 0 GBADLO CNS(=O)(=O)NCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000331313208 530280159 /nfs/dbraw/zinc/28/01/59/530280159.db2.gz ICPJNXPHIHGICB-ZFWWWQNUSA-N 1 2 390.893 -0.118 20 0 GBADLO CNS(=O)(=O)NCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000331313208 530280156 /nfs/dbraw/zinc/28/01/56/530280156.db2.gz ICPJNXPHIHGICB-ZFWWWQNUSA-N 1 2 390.893 -0.118 20 0 GBADLO CNS(=O)(=O)NCC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000331328374 530279986 /nfs/dbraw/zinc/27/99/86/530279986.db2.gz PXLUFGBCZJLGCE-GFCCVEGCSA-N 1 2 376.504 -0.400 20 0 GBADLO CNS(=O)(=O)NCC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000331328375 530280091 /nfs/dbraw/zinc/28/00/91/530280091.db2.gz PXLUFGBCZJLGCE-LBPRGKRZSA-N 1 2 376.504 -0.400 20 0 GBADLO CC[C@@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000331329793 530280073 /nfs/dbraw/zinc/28/00/73/530280073.db2.gz QQFJMTBIEIUMDA-KFWWJZLASA-N 1 2 376.523 -0.093 20 0 GBADLO CC[C@@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000331329793 530280071 /nfs/dbraw/zinc/28/00/71/530280071.db2.gz QQFJMTBIEIUMDA-KFWWJZLASA-N 1 2 376.523 -0.093 20 0 GBADLO CC[C@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000331329794 530280210 /nfs/dbraw/zinc/28/02/10/530280210.db2.gz QQFJMTBIEIUMDA-RBSFLKMASA-N 1 2 376.523 -0.093 20 0 GBADLO CC[C@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000331329794 530280207 /nfs/dbraw/zinc/28/02/07/530280207.db2.gz QQFJMTBIEIUMDA-RBSFLKMASA-N 1 2 376.523 -0.093 20 0 GBADLO CC[C@H](C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000331329795 530280371 /nfs/dbraw/zinc/28/03/71/530280371.db2.gz QQFJMTBIEIUMDA-RRFJBIMHSA-N 1 2 376.523 -0.093 20 0 GBADLO CC[C@H](C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000331329795 530280369 /nfs/dbraw/zinc/28/03/69/530280369.db2.gz QQFJMTBIEIUMDA-RRFJBIMHSA-N 1 2 376.523 -0.093 20 0 GBADLO CC[C@@H](C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000331329796 530280083 /nfs/dbraw/zinc/28/00/83/530280083.db2.gz QQFJMTBIEIUMDA-ZNMIVQPWSA-N 1 2 376.523 -0.093 20 0 GBADLO CC[C@@H](C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000331329796 530280081 /nfs/dbraw/zinc/28/00/81/530280081.db2.gz QQFJMTBIEIUMDA-ZNMIVQPWSA-N 1 2 376.523 -0.093 20 0 GBADLO CNS(=O)(=O)NCC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000331334529 530280323 /nfs/dbraw/zinc/28/03/23/530280323.db2.gz UDZBLVBFNXNTOD-GFCCVEGCSA-N 1 2 376.504 -0.366 20 0 GBADLO CNS(=O)(=O)NCC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000331334854 530280002 /nfs/dbraw/zinc/28/00/02/530280002.db2.gz UDZBLVBFNXNTOD-LBPRGKRZSA-N 1 2 376.504 -0.366 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331335925 530280231 /nfs/dbraw/zinc/28/02/31/530280231.db2.gz KCAJZIXEWLFFGR-CYBMUJFWSA-N 1 2 393.535 -0.300 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000331335927 530280146 /nfs/dbraw/zinc/28/01/46/530280146.db2.gz KCAJZIXEWLFFGR-ZDUSSCGKSA-N 1 2 393.535 -0.300 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000331351166 530280815 /nfs/dbraw/zinc/28/08/15/530280815.db2.gz WEGSOTKCSWKKSI-UHFFFAOYSA-N 1 2 393.535 -0.851 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331352563 530280743 /nfs/dbraw/zinc/28/07/43/530280743.db2.gz XIDYKVMGVBUXRM-UHFFFAOYSA-N 1 2 379.508 -0.861 20 0 GBADLO COc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)sc1S(N)(=O)=O ZINC000331352911 530280787 /nfs/dbraw/zinc/28/07/87/530280787.db2.gz XSWNZKDUIGCGCK-NXEZZACHSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)sc1S(N)(=O)=O ZINC000331352911 530280785 /nfs/dbraw/zinc/28/07/85/530280785.db2.gz XSWNZKDUIGCGCK-NXEZZACHSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)sc1S(N)(=O)=O ZINC000331352912 530280779 /nfs/dbraw/zinc/28/07/79/530280779.db2.gz XSWNZKDUIGCGCK-UWVGGRQHSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)sc1S(N)(=O)=O ZINC000331352912 530280778 /nfs/dbraw/zinc/28/07/78/530280778.db2.gz XSWNZKDUIGCGCK-UWVGGRQHSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)sc1S(N)(=O)=O ZINC000331352913 530280570 /nfs/dbraw/zinc/28/05/70/530280570.db2.gz XSWNZKDUIGCGCK-VHSXEESVSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)sc1S(N)(=O)=O ZINC000331352913 530280567 /nfs/dbraw/zinc/28/05/67/530280567.db2.gz XSWNZKDUIGCGCK-VHSXEESVSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)sc1S(N)(=O)=O ZINC000331352914 530280488 /nfs/dbraw/zinc/28/04/88/530280488.db2.gz XSWNZKDUIGCGCK-ZJUUUORDSA-N 1 2 377.488 -0.069 20 0 GBADLO COc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)sc1S(N)(=O)=O ZINC000331352914 530280487 /nfs/dbraw/zinc/28/04/87/530280487.db2.gz XSWNZKDUIGCGCK-ZJUUUORDSA-N 1 2 377.488 -0.069 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000331360728 530280761 /nfs/dbraw/zinc/28/07/61/530280761.db2.gz YDVCGCMUVFOWTH-UHFFFAOYSA-N 1 2 389.250 -0.062 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000331396552 530292655 /nfs/dbraw/zinc/29/26/55/530292655.db2.gz GKCPEBCLXSFXKK-CABCVRRESA-N 1 2 375.491 -0.087 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331396558 530292700 /nfs/dbraw/zinc/29/27/00/530292700.db2.gz GKCPEBCLXSFXKK-GJZGRUSLSA-N 1 2 375.491 -0.087 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000331396562 530292632 /nfs/dbraw/zinc/29/26/32/530292632.db2.gz GKCPEBCLXSFXKK-HUUCEWRRSA-N 1 2 375.491 -0.087 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331396565 530292673 /nfs/dbraw/zinc/29/26/73/530292673.db2.gz GKCPEBCLXSFXKK-LSDHHAIUSA-N 1 2 375.491 -0.087 20 0 GBADLO COC(=O)[C@@](C)(O)C[N@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000331566415 530292930 /nfs/dbraw/zinc/29/29/30/530292930.db2.gz DFLMAXQNYUAANK-HNNXBMFYSA-N 1 2 375.447 -0.088 20 0 GBADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000331566415 530292928 /nfs/dbraw/zinc/29/29/28/530292928.db2.gz DFLMAXQNYUAANK-HNNXBMFYSA-N 1 2 375.447 -0.088 20 0 GBADLO COC(=O)[C@](C)(O)C[N@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000331566417 530292918 /nfs/dbraw/zinc/29/29/18/530292918.db2.gz DFLMAXQNYUAANK-OAHLLOKOSA-N 1 2 375.447 -0.088 20 0 GBADLO COC(=O)[C@](C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000331566417 530292916 /nfs/dbraw/zinc/29/29/16/530292916.db2.gz DFLMAXQNYUAANK-OAHLLOKOSA-N 1 2 375.447 -0.088 20 0 GBADLO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000331604069 530292862 /nfs/dbraw/zinc/29/28/62/530292862.db2.gz ZNFLCSVKHSTIDK-CYBMUJFWSA-N 1 2 389.499 -0.323 20 0 GBADLO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000331604071 530293015 /nfs/dbraw/zinc/29/30/15/530293015.db2.gz ZNFLCSVKHSTIDK-ZDUSSCGKSA-N 1 2 389.499 -0.323 20 0 GBADLO CNS(=O)(=O)CCC[N@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000331607815 530293163 /nfs/dbraw/zinc/29/31/63/530293163.db2.gz IJIOJULDVZKLDJ-UHFFFAOYSA-N 1 2 394.519 -0.073 20 0 GBADLO CNS(=O)(=O)CCC[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000331607815 530293162 /nfs/dbraw/zinc/29/31/62/530293162.db2.gz IJIOJULDVZKLDJ-UHFFFAOYSA-N 1 2 394.519 -0.073 20 0 GBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000331859522 530292876 /nfs/dbraw/zinc/29/28/76/530292876.db2.gz QEGYOOHBVNPDBY-GFCCVEGCSA-N 1 2 386.499 -0.605 20 0 GBADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000331859522 530292873 /nfs/dbraw/zinc/29/28/73/530292873.db2.gz QEGYOOHBVNPDBY-GFCCVEGCSA-N 1 2 386.499 -0.605 20 0 GBADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000331859527 530293155 /nfs/dbraw/zinc/29/31/55/530293155.db2.gz QEGYOOHBVNPDBY-LBPRGKRZSA-N 1 2 386.499 -0.605 20 0 GBADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000331859527 530293153 /nfs/dbraw/zinc/29/31/53/530293153.db2.gz QEGYOOHBVNPDBY-LBPRGKRZSA-N 1 2 386.499 -0.605 20 0 GBADLO NS(=O)(=O)c1ccc(N2CC[NH+](CCN3CCCS3(=O)=O)CC2)cc1 ZINC000332111073 530293585 /nfs/dbraw/zinc/29/35/85/530293585.db2.gz GCMOEOHLBXZCGP-UHFFFAOYSA-N 1 2 388.515 -0.509 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c(F)c1 ZINC000332194449 530293698 /nfs/dbraw/zinc/29/36/98/530293698.db2.gz AAEHAVSNHQNFGQ-UHFFFAOYSA-N 1 2 395.478 -0.114 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c(F)c1 ZINC000332194449 530293696 /nfs/dbraw/zinc/29/36/96/530293696.db2.gz AAEHAVSNHQNFGQ-UHFFFAOYSA-N 1 2 395.478 -0.114 20 0 GBADLO NS(=O)(=O)CC[NH+]1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000332261745 530293780 /nfs/dbraw/zinc/29/37/80/530293780.db2.gz DRCVTMFVAOSPKT-UHFFFAOYSA-N 1 2 387.531 -0.134 20 0 GBADLO CS(=O)(=O)N1CCC(CS(=O)(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000332608748 530294555 /nfs/dbraw/zinc/29/45/55/530294555.db2.gz KINYQDXZPBHCJY-UHFFFAOYSA-N 1 2 383.536 -0.700 20 0 GBADLO CN(C)S(=O)(=O)CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000332659171 530295036 /nfs/dbraw/zinc/29/50/36/530295036.db2.gz FQPAXDMGYFVZDD-STQMWFEESA-N 1 2 375.470 -0.318 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332661820 530294963 /nfs/dbraw/zinc/29/49/63/530294963.db2.gz DBWWGQIXHDAHHT-HZSPNIEDSA-N 1 2 379.548 -0.021 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332661820 530294961 /nfs/dbraw/zinc/29/49/61/530294961.db2.gz DBWWGQIXHDAHHT-HZSPNIEDSA-N 1 2 379.548 -0.021 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332661821 530294898 /nfs/dbraw/zinc/29/48/98/530294898.db2.gz DBWWGQIXHDAHHT-MCIONIFRSA-N 1 2 379.548 -0.021 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332661821 530294896 /nfs/dbraw/zinc/29/48/96/530294896.db2.gz DBWWGQIXHDAHHT-MCIONIFRSA-N 1 2 379.548 -0.021 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332661822 530294882 /nfs/dbraw/zinc/29/48/82/530294882.db2.gz DBWWGQIXHDAHHT-MGPQQGTHSA-N 1 2 379.548 -0.021 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332661822 530294880 /nfs/dbraw/zinc/29/48/80/530294880.db2.gz DBWWGQIXHDAHHT-MGPQQGTHSA-N 1 2 379.548 -0.021 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332661823 530295013 /nfs/dbraw/zinc/29/50/13/530295013.db2.gz DBWWGQIXHDAHHT-RDBSUJKOSA-N 1 2 379.548 -0.021 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332661823 530295010 /nfs/dbraw/zinc/29/50/10/530295010.db2.gz DBWWGQIXHDAHHT-RDBSUJKOSA-N 1 2 379.548 -0.021 20 0 GBADLO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000332690418 530295000 /nfs/dbraw/zinc/29/50/00/530295000.db2.gz LOZFALCFCJBCRV-RYUDHWBXSA-N 1 2 377.442 -0.592 20 0 GBADLO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000332690418 530294999 /nfs/dbraw/zinc/29/49/99/530294999.db2.gz LOZFALCFCJBCRV-RYUDHWBXSA-N 1 2 377.442 -0.592 20 0 GBADLO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1scnc1C ZINC000332708554 530294974 /nfs/dbraw/zinc/29/49/74/530294974.db2.gz OGBDSBXXBSNSJM-RYUDHWBXSA-N 1 2 393.510 -0.124 20 0 GBADLO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1scnc1C ZINC000332708554 530294973 /nfs/dbraw/zinc/29/49/73/530294973.db2.gz OGBDSBXXBSNSJM-RYUDHWBXSA-N 1 2 393.510 -0.124 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2CCOC2)CC3)CC1 ZINC000332744768 1072947486 /nfs/dbraw/zinc/94/74/86/1072947486.db2.gz CTQVAVSUKRLOOB-GJZGRUSLSA-N 1 2 375.473 -0.014 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2CCOC2)CC3)CC1 ZINC000332744769 1072947468 /nfs/dbraw/zinc/94/74/68/1072947468.db2.gz CTQVAVSUKRLOOB-LSDHHAIUSA-N 1 2 375.473 -0.014 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCO1 ZINC000332746280 1072947669 /nfs/dbraw/zinc/94/76/69/1072947669.db2.gz IWDOPXFOMAPJLF-CVEARBPZSA-N 1 2 391.472 -0.009 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCO1 ZINC000332746280 1072947664 /nfs/dbraw/zinc/94/76/64/1072947664.db2.gz IWDOPXFOMAPJLF-CVEARBPZSA-N 1 2 391.472 -0.009 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCO1 ZINC000332746281 1072947388 /nfs/dbraw/zinc/94/73/88/1072947388.db2.gz IWDOPXFOMAPJLF-HZPDHXFCSA-N 1 2 391.472 -0.009 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCO1 ZINC000332746281 1072947384 /nfs/dbraw/zinc/94/73/84/1072947384.db2.gz IWDOPXFOMAPJLF-HZPDHXFCSA-N 1 2 391.472 -0.009 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCO1 ZINC000332746282 1072947928 /nfs/dbraw/zinc/94/79/28/1072947928.db2.gz IWDOPXFOMAPJLF-JKSUJKDBSA-N 1 2 391.472 -0.009 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCO1 ZINC000332746282 1072947918 /nfs/dbraw/zinc/94/79/18/1072947918.db2.gz IWDOPXFOMAPJLF-JKSUJKDBSA-N 1 2 391.472 -0.009 20 0 GBADLO CN1CCO[C@@H](CNC(=O)[C@@H]2CCCC[C@H]2C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000332750481 1073935552 /nfs/dbraw/zinc/93/55/52/1073935552.db2.gz UEWMTHPJSPBTAZ-WNRNVDISSA-N 1 2 396.532 -0.314 20 0 GBADLO CN1CCO[C@@H](CNC(=O)[C@@H]2CCCC[C@H]2C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000332750481 1073935540 /nfs/dbraw/zinc/93/55/40/1073935540.db2.gz UEWMTHPJSPBTAZ-WNRNVDISSA-N 1 2 396.532 -0.314 20 0 GBADLO O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000332751855 1072947218 /nfs/dbraw/zinc/94/72/18/1072947218.db2.gz BYPUPBQFUWSNDC-IAGOWNOFSA-N 1 2 381.498 -0.532 20 0 GBADLO O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000332751855 1072947207 /nfs/dbraw/zinc/94/72/07/1072947207.db2.gz BYPUPBQFUWSNDC-IAGOWNOFSA-N 1 2 381.498 -0.532 20 0 GBADLO O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000332751856 1072947425 /nfs/dbraw/zinc/94/74/25/1072947425.db2.gz BYPUPBQFUWSNDC-SJORKVTESA-N 1 2 381.498 -0.532 20 0 GBADLO O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000332751856 1072947419 /nfs/dbraw/zinc/94/74/19/1072947419.db2.gz BYPUPBQFUWSNDC-SJORKVTESA-N 1 2 381.498 -0.532 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000332774256 1072950303 /nfs/dbraw/zinc/95/03/03/1072950303.db2.gz QBHARSMEGMSQCW-LPHOPBHVSA-N 1 2 381.521 -0.219 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000332774258 1072950435 /nfs/dbraw/zinc/95/04/35/1072950435.db2.gz QBHARSMEGMSQCW-QFBILLFUSA-N 1 2 381.521 -0.219 20 0 GBADLO C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000332784595 1072952271 /nfs/dbraw/zinc/95/22/71/1072952271.db2.gz BZIOUBJXTAEVHT-GJZGRUSLSA-N 1 2 389.522 -0.627 20 0 GBADLO C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000332784596 1072952137 /nfs/dbraw/zinc/95/21/37/1072952137.db2.gz BZIOUBJXTAEVHT-LSDHHAIUSA-N 1 2 389.522 -0.627 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000332787064 1073836626 /nfs/dbraw/zinc/83/66/26/1073836626.db2.gz CFRRAHXGOZIYRU-GJZGRUSLSA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000332787065 1073837087 /nfs/dbraw/zinc/83/70/87/1073837087.db2.gz CFRRAHXGOZIYRU-LSDHHAIUSA-N 1 2 383.493 -0.524 20 0 GBADLO C[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000332788559 1073935749 /nfs/dbraw/zinc/93/57/49/1073935749.db2.gz QLPGDBXILAKPBM-XQLPTFJDSA-N 1 2 387.502 -0.753 20 0 GBADLO C[C@H]([C@H](C)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[NH+]1CCOCC1 ZINC000332788561 1073935893 /nfs/dbraw/zinc/93/58/93/1073935893.db2.gz QLPGDBXILAKPBM-YJNKXOJESA-N 1 2 387.502 -0.753 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000332796418 1073936061 /nfs/dbraw/zinc/93/60/61/1073936061.db2.gz JYXIDADAVHOQGS-DLBZAZTESA-N 1 2 381.521 -0.097 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000332796419 1073935866 /nfs/dbraw/zinc/93/58/66/1073935866.db2.gz JYXIDADAVHOQGS-IRXDYDNUSA-N 1 2 381.521 -0.097 20 0 GBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000332799883 1072954051 /nfs/dbraw/zinc/95/40/51/1072954051.db2.gz QXHWXBOMUPYANV-CVEARBPZSA-N 1 2 387.550 -0.168 20 0 GBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000332799884 1072953747 /nfs/dbraw/zinc/95/37/47/1072953747.db2.gz QXHWXBOMUPYANV-HOTGVXAUSA-N 1 2 387.550 -0.168 20 0 GBADLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000332810353 1073936568 /nfs/dbraw/zinc/93/65/68/1073936568.db2.gz WKMHVUQQVSSPOE-GPMSIDNRSA-N 1 2 381.473 -0.379 20 0 GBADLO O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000332810354 1073936814 /nfs/dbraw/zinc/93/68/14/1073936814.db2.gz WKMHVUQQVSSPOE-MDZRGWNJSA-N 1 2 381.473 -0.379 20 0 GBADLO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000332811901 1073837698 /nfs/dbraw/zinc/83/76/98/1073837698.db2.gz ZDFKUPLVIJUELP-IAGOWNOFSA-N 1 2 397.520 -0.718 20 0 GBADLO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000332811908 1073838443 /nfs/dbraw/zinc/83/84/43/1073838443.db2.gz ZDFKUPLVIJUELP-SJORKVTESA-N 1 2 397.520 -0.718 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[C@H](F)C3)CC2)CC1 ZINC000332818824 530125442 /nfs/dbraw/zinc/12/54/42/530125442.db2.gz ABHNWQMNZDLQMB-KBPBESRZSA-N 1 2 377.486 -0.304 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[C@@H](F)C3)CC2)CC1 ZINC000332818826 530125431 /nfs/dbraw/zinc/12/54/31/530125431.db2.gz ABHNWQMNZDLQMB-KGLIPLIRSA-N 1 2 377.486 -0.304 20 0 GBADLO CS(=O)(=O)N[C@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000332820826 530346404 /nfs/dbraw/zinc/34/64/04/530346404.db2.gz AOUSUNQETQSFKR-DZGCQCFKSA-N 1 2 392.547 -0.473 20 0 GBADLO CS(=O)(=O)N[C@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000332820833 530346275 /nfs/dbraw/zinc/34/62/75/530346275.db2.gz AOUSUNQETQSFKR-ZFWWWQNUSA-N 1 2 392.547 -0.473 20 0 GBADLO CNC(=O)[C@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000332830594 1072959162 /nfs/dbraw/zinc/95/91/62/1072959162.db2.gz CGRVXDZEVDZMDY-HNNXBMFYSA-N 1 2 375.477 -0.234 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000332841759 1072959152 /nfs/dbraw/zinc/95/91/52/1072959152.db2.gz CZDGCKOKAVYUBW-AAEUAGOBSA-N 1 2 387.506 -0.459 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000332841759 1072959148 /nfs/dbraw/zinc/95/91/48/1072959148.db2.gz CZDGCKOKAVYUBW-AAEUAGOBSA-N 1 2 387.506 -0.459 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000332841772 1072959193 /nfs/dbraw/zinc/95/91/93/1072959193.db2.gz CZDGCKOKAVYUBW-YPMHNXCESA-N 1 2 387.506 -0.459 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000332841772 1072959192 /nfs/dbraw/zinc/95/91/92/1072959192.db2.gz CZDGCKOKAVYUBW-YPMHNXCESA-N 1 2 387.506 -0.459 20 0 GBADLO O=C(CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000332847390 1073936804 /nfs/dbraw/zinc/93/68/04/1073936804.db2.gz RMRYYZSDOHBHMO-DZGCQCFKSA-N 1 2 387.502 -0.561 20 0 GBADLO O=C(CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000332847390 1073936800 /nfs/dbraw/zinc/93/68/00/1073936800.db2.gz RMRYYZSDOHBHMO-DZGCQCFKSA-N 1 2 387.502 -0.561 20 0 GBADLO O=C(CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000332847391 1073937063 /nfs/dbraw/zinc/93/70/63/1073937063.db2.gz RMRYYZSDOHBHMO-HIFRSBDPSA-N 1 2 387.502 -0.561 20 0 GBADLO O=C(CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000332847391 1073937061 /nfs/dbraw/zinc/93/70/61/1073937061.db2.gz RMRYYZSDOHBHMO-HIFRSBDPSA-N 1 2 387.502 -0.561 20 0 GBADLO O=C(CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000332847392 1073937029 /nfs/dbraw/zinc/93/70/29/1073937029.db2.gz RMRYYZSDOHBHMO-UKRRQHHQSA-N 1 2 387.502 -0.561 20 0 GBADLO O=C(CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000332847392 1073937025 /nfs/dbraw/zinc/93/70/25/1073937025.db2.gz RMRYYZSDOHBHMO-UKRRQHHQSA-N 1 2 387.502 -0.561 20 0 GBADLO CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000332849315 1073936664 /nfs/dbraw/zinc/93/66/64/1073936664.db2.gz DLBIPQLVBHFEFL-CVEARBPZSA-N 1 2 380.489 -0.173 20 0 GBADLO CCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000332849316 1073936878 /nfs/dbraw/zinc/93/68/78/1073936878.db2.gz DLBIPQLVBHFEFL-HOTGVXAUSA-N 1 2 380.489 -0.173 20 0 GBADLO C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CS2 ZINC000332849997 1073937050 /nfs/dbraw/zinc/93/70/50/1073937050.db2.gz DUNDEQQJSPZAFN-IYOUNJFTSA-N 1 2 396.513 -0.510 20 0 GBADLO C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CS2 ZINC000332849998 1073936755 /nfs/dbraw/zinc/93/67/55/1073936755.db2.gz DUNDEQQJSPZAFN-LBTNJELSSA-N 1 2 396.513 -0.510 20 0 GBADLO CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000332858627 1073936999 /nfs/dbraw/zinc/93/69/99/1073936999.db2.gz JKSHWGSFZQUVSM-KBPBESRZSA-N 1 2 384.502 -0.653 20 0 GBADLO CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000332858670 1073937044 /nfs/dbraw/zinc/93/70/44/1073937044.db2.gz JKSHWGSFZQUVSM-KGLIPLIRSA-N 1 2 384.502 -0.653 20 0 GBADLO CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000332859872 1073840062 /nfs/dbraw/zinc/84/00/62/1073840062.db2.gz JWZJXIFBYMFZJN-CVEARBPZSA-N 1 2 380.489 -0.316 20 0 GBADLO CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000332859873 1073840573 /nfs/dbraw/zinc/84/05/73/1073840573.db2.gz JWZJXIFBYMFZJN-HZPDHXFCSA-N 1 2 380.489 -0.316 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000332862897 1073936591 /nfs/dbraw/zinc/93/65/91/1073936591.db2.gz LNNBCBUOJJYBFY-DLBZAZTESA-N 1 2 392.500 -0.316 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000332862898 1073936725 /nfs/dbraw/zinc/93/67/25/1073936725.db2.gz LNNBCBUOJJYBFY-IAGOWNOFSA-N 1 2 392.500 -0.316 20 0 GBADLO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000332884462 1073841197 /nfs/dbraw/zinc/84/11/97/1073841197.db2.gz XSIMWRVDDVNIAJ-CVEARBPZSA-N 1 2 380.489 -0.317 20 0 GBADLO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000332884467 1073841685 /nfs/dbraw/zinc/84/16/85/1073841685.db2.gz XSIMWRVDDVNIAJ-HOTGVXAUSA-N 1 2 380.489 -0.317 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000332892226 1073937843 /nfs/dbraw/zinc/93/78/43/1073937843.db2.gz WDCYROMVKHNUFI-HZPDHXFCSA-N 1 2 392.500 -0.173 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000332892229 1073937984 /nfs/dbraw/zinc/93/79/84/1073937984.db2.gz WDCYROMVKHNUFI-JKSUJKDBSA-N 1 2 392.500 -0.173 20 0 GBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000332905628 1073938013 /nfs/dbraw/zinc/93/80/13/1073938013.db2.gz VPUUDNYDHALTSX-GOEBONIOSA-N 1 2 396.513 -0.602 20 0 GBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000332905628 1073938008 /nfs/dbraw/zinc/93/80/08/1073938008.db2.gz VPUUDNYDHALTSX-GOEBONIOSA-N 1 2 396.513 -0.602 20 0 GBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000332905630 1073937582 /nfs/dbraw/zinc/93/75/82/1073937582.db2.gz VPUUDNYDHALTSX-HOCLYGCPSA-N 1 2 396.513 -0.602 20 0 GBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000332905630 1073937574 /nfs/dbraw/zinc/93/75/74/1073937574.db2.gz VPUUDNYDHALTSX-HOCLYGCPSA-N 1 2 396.513 -0.602 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000332915000 1072971821 /nfs/dbraw/zinc/97/18/21/1072971821.db2.gz WAPXFFIOQSMTNV-GJZGRUSLSA-N 1 2 390.506 -0.847 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000332915000 1072971816 /nfs/dbraw/zinc/97/18/16/1072971816.db2.gz WAPXFFIOQSMTNV-GJZGRUSLSA-N 1 2 390.506 -0.847 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000332915001 1072971878 /nfs/dbraw/zinc/97/18/78/1072971878.db2.gz WAPXFFIOQSMTNV-LSDHHAIUSA-N 1 2 390.506 -0.847 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000332915001 1072971872 /nfs/dbraw/zinc/97/18/72/1072971872.db2.gz WAPXFFIOQSMTNV-LSDHHAIUSA-N 1 2 390.506 -0.847 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000332919366 1073937874 /nfs/dbraw/zinc/93/78/74/1073937874.db2.gz LVQLABIWTOFVNA-BZUAXINKSA-N 1 2 378.473 -0.563 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000332919367 1073938040 /nfs/dbraw/zinc/93/80/40/1073938040.db2.gz LVQLABIWTOFVNA-OAGGEKHMSA-N 1 2 378.473 -0.563 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000332919368 1073937451 /nfs/dbraw/zinc/93/74/51/1073937451.db2.gz LVQLABIWTOFVNA-OWCLPIDISA-N 1 2 378.473 -0.563 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000332919369 1073937943 /nfs/dbraw/zinc/93/79/43/1073937943.db2.gz LVQLABIWTOFVNA-PMPSAXMXSA-N 1 2 378.473 -0.563 20 0 GBADLO CN1CCO[C@@H](C(=O)NCC2CCC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000332926818 1072974305 /nfs/dbraw/zinc/97/43/05/1072974305.db2.gz HBUJQPYJKCOJOM-OPQOLIRYSA-N 1 2 396.532 -0.314 20 0 GBADLO CN1CCO[C@@H](C(=O)NCC2CCC(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000332926818 1072974298 /nfs/dbraw/zinc/97/42/98/1072974298.db2.gz HBUJQPYJKCOJOM-OPQOLIRYSA-N 1 2 396.532 -0.314 20 0 GBADLO C[C@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)[C@H](C)[NH+]1CCOCC1 ZINC000332933162 1073937634 /nfs/dbraw/zinc/93/76/34/1073937634.db2.gz AVZAKECFXKAAIC-DEYYWGMASA-N 1 2 396.488 -0.173 20 0 GBADLO C[C@H]([C@H](C)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)[NH+]1CCOCC1 ZINC000332933163 1073937855 /nfs/dbraw/zinc/93/78/55/1073937855.db2.gz AVZAKECFXKAAIC-IYOUNJFTSA-N 1 2 396.488 -0.173 20 0 GBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)cn2)C[C@@H](C)O1 ZINC000332938495 1073179856 /nfs/dbraw/zinc/17/98/56/1073179856.db2.gz OIVCXOPEXWUGLC-FMKPAKJESA-N 1 2 394.476 -0.029 20 0 GBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)cn2)C[C@@H](C)O1 ZINC000332938495 1073179851 /nfs/dbraw/zinc/17/98/51/1073179851.db2.gz OIVCXOPEXWUGLC-FMKPAKJESA-N 1 2 394.476 -0.029 20 0 GBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)cn2)C[C@H](C)O1 ZINC000332938496 1073180058 /nfs/dbraw/zinc/18/00/58/1073180058.db2.gz OIVCXOPEXWUGLC-LZWOXQAQSA-N 1 2 394.476 -0.029 20 0 GBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)cn2)C[C@H](C)O1 ZINC000332938496 1073180055 /nfs/dbraw/zinc/18/00/55/1073180055.db2.gz OIVCXOPEXWUGLC-LZWOXQAQSA-N 1 2 394.476 -0.029 20 0 GBADLO COCC[N@H+]1CC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)C1 ZINC000332938580 1073180427 /nfs/dbraw/zinc/18/04/27/1073180427.db2.gz DNUZZDWZLCWRGK-CABCVRRESA-N 1 2 385.490 -0.378 20 0 GBADLO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)C1 ZINC000332938580 1073180420 /nfs/dbraw/zinc/18/04/20/1073180420.db2.gz DNUZZDWZLCWRGK-CABCVRRESA-N 1 2 385.490 -0.378 20 0 GBADLO COCC[N@H+]1CC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)C1 ZINC000332938581 1073180529 /nfs/dbraw/zinc/18/05/29/1073180529.db2.gz DNUZZDWZLCWRGK-HUUCEWRRSA-N 1 2 385.490 -0.378 20 0 GBADLO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)C1 ZINC000332938581 1073180525 /nfs/dbraw/zinc/18/05/25/1073180525.db2.gz DNUZZDWZLCWRGK-HUUCEWRRSA-N 1 2 385.490 -0.378 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000332941018 1073938470 /nfs/dbraw/zinc/93/84/70/1073938470.db2.gz USZCYUVGGMTDDV-AEFFLSMTSA-N 1 2 394.516 -0.321 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000332941018 1073938463 /nfs/dbraw/zinc/93/84/63/1073938463.db2.gz USZCYUVGGMTDDV-AEFFLSMTSA-N 1 2 394.516 -0.321 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000332941019 1073938949 /nfs/dbraw/zinc/93/89/49/1073938949.db2.gz USZCYUVGGMTDDV-SJLPKXTDSA-N 1 2 394.516 -0.321 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000332941019 1073938946 /nfs/dbraw/zinc/93/89/46/1073938946.db2.gz USZCYUVGGMTDDV-SJLPKXTDSA-N 1 2 394.516 -0.321 20 0 GBADLO C[N@H+]1CCO[C@H]2CN(C(=O)NCCS(=O)(=O)N3CCSCC3)C[C@H]21 ZINC000332966970 530355347 /nfs/dbraw/zinc/35/53/47/530355347.db2.gz HCPMBAUEWYLHMH-OLZOCXBDSA-N 1 2 378.520 -0.911 20 0 GBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)NCCS(=O)(=O)N3CCSCC3)C[C@H]21 ZINC000332966970 530355345 /nfs/dbraw/zinc/35/53/45/530355345.db2.gz HCPMBAUEWYLHMH-OLZOCXBDSA-N 1 2 378.520 -0.911 20 0 GBADLO C[N@H+]1CCO[C@H]2CN(C(=O)NCCS(=O)(=O)N3CCSCC3)C[C@@H]21 ZINC000332966973 530355365 /nfs/dbraw/zinc/35/53/65/530355365.db2.gz HCPMBAUEWYLHMH-STQMWFEESA-N 1 2 378.520 -0.911 20 0 GBADLO C[N@@H+]1CCO[C@H]2CN(C(=O)NCCS(=O)(=O)N3CCSCC3)C[C@@H]21 ZINC000332966973 530355363 /nfs/dbraw/zinc/35/53/63/530355363.db2.gz HCPMBAUEWYLHMH-STQMWFEESA-N 1 2 378.520 -0.911 20 0 GBADLO C[C@H]1COCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000333000769 1072305378 /nfs/dbraw/zinc/30/53/78/1072305378.db2.gz IBXIRUIICVABBK-GJZGRUSLSA-N 1 2 389.522 -0.769 20 0 GBADLO C[C@H]1COCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000333000771 1072305258 /nfs/dbraw/zinc/30/52/58/1072305258.db2.gz IBXIRUIICVABBK-LSDHHAIUSA-N 1 2 389.522 -0.769 20 0 GBADLO C[C@H]([C@H](C)NC(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)[NH+]1CCOCC1 ZINC000333003181 1073939850 /nfs/dbraw/zinc/93/98/50/1073939850.db2.gz KKLYRHDHDAIRBO-BFHYXJOUSA-N 1 2 379.465 -0.167 20 0 GBADLO C[C@H](NC(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000333003182 1073939879 /nfs/dbraw/zinc/93/98/79/1073939879.db2.gz KKLYRHDHDAIRBO-MELADBBJSA-N 1 2 379.465 -0.167 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000333004949 1072305127 /nfs/dbraw/zinc/30/51/27/1072305127.db2.gz ZSIBSQGBZLOYJF-KBXCAEBGSA-N 1 2 390.488 -0.390 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000333004949 1072305120 /nfs/dbraw/zinc/30/51/20/1072305120.db2.gz ZSIBSQGBZLOYJF-KBXCAEBGSA-N 1 2 390.488 -0.390 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000333004950 1072305235 /nfs/dbraw/zinc/30/52/35/1072305235.db2.gz ZSIBSQGBZLOYJF-KSSFIOAISA-N 1 2 390.488 -0.390 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000333004950 1072305229 /nfs/dbraw/zinc/30/52/29/1072305229.db2.gz ZSIBSQGBZLOYJF-KSSFIOAISA-N 1 2 390.488 -0.390 20 0 GBADLO CC(C)(C)c1nc(=NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)s[nH]1 ZINC000333176677 530295829 /nfs/dbraw/zinc/29/58/29/530295829.db2.gz QZZVEZAOGYATHD-UHFFFAOYSA-N 1 2 388.519 -0.291 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCSC3)CC2)CC1 ZINC000333316332 530295578 /nfs/dbraw/zinc/29/55/78/530295578.db2.gz OMYOMBIEHXVPMJ-AWEZNQCLSA-N 1 2 391.563 -0.441 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCSC3)CC2)CC1 ZINC000333316333 530295699 /nfs/dbraw/zinc/29/56/99/530295699.db2.gz OMYOMBIEHXVPMJ-CQSZACIVSA-N 1 2 391.563 -0.441 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000333361384 530296145 /nfs/dbraw/zinc/29/61/45/530296145.db2.gz UKBYQUPQKLNORX-UHFFFAOYSA-N 1 2 377.492 -0.869 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000333425838 530296033 /nfs/dbraw/zinc/29/60/33/530296033.db2.gz GTICHTIXOKADIZ-UHFFFAOYSA-N 1 2 377.492 -0.658 20 0 GBADLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CCC2 ZINC000333597723 530297034 /nfs/dbraw/zinc/29/70/34/530297034.db2.gz YBDBAXYXKLVCMW-CYBMUJFWSA-N 1 2 391.519 -0.519 20 0 GBADLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CCC2 ZINC000333597726 530297017 /nfs/dbraw/zinc/29/70/17/530297017.db2.gz YBDBAXYXKLVCMW-ZDUSSCGKSA-N 1 2 391.519 -0.519 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(CCn3cc(Cl)cn3)CC2)CC1 ZINC000333655423 530297308 /nfs/dbraw/zinc/29/73/08/530297308.db2.gz VNHGTIZUGZGWOZ-UHFFFAOYSA-N 1 2 376.914 -0.354 20 0 GBADLO O=C(C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NC[C@H]1CCCO1 ZINC000333685392 530297203 /nfs/dbraw/zinc/29/72/03/530297203.db2.gz AHVCGGMWUKENEN-CABCVRRESA-N 1 2 375.491 -0.592 20 0 GBADLO O=C(C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NC[C@H]1CCCO1 ZINC000333685392 530297202 /nfs/dbraw/zinc/29/72/02/530297202.db2.gz AHVCGGMWUKENEN-CABCVRRESA-N 1 2 375.491 -0.592 20 0 GBADLO O=C(C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NC[C@@H]1CCCO1 ZINC000333685393 530297298 /nfs/dbraw/zinc/29/72/98/530297298.db2.gz AHVCGGMWUKENEN-GJZGRUSLSA-N 1 2 375.491 -0.592 20 0 GBADLO O=C(C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NC[C@@H]1CCCO1 ZINC000333685393 530297296 /nfs/dbraw/zinc/29/72/96/530297296.db2.gz AHVCGGMWUKENEN-GJZGRUSLSA-N 1 2 375.491 -0.592 20 0 GBADLO O=C(C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NC[C@H]1CCCO1 ZINC000333685394 530296963 /nfs/dbraw/zinc/29/69/63/530296963.db2.gz AHVCGGMWUKENEN-HUUCEWRRSA-N 1 2 375.491 -0.592 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NC[C@H]1CCCO1 ZINC000333685394 530296960 /nfs/dbraw/zinc/29/69/60/530296960.db2.gz AHVCGGMWUKENEN-HUUCEWRRSA-N 1 2 375.491 -0.592 20 0 GBADLO O=C(C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NC[C@@H]1CCCO1 ZINC000333685395 530296917 /nfs/dbraw/zinc/29/69/17/530296917.db2.gz AHVCGGMWUKENEN-LSDHHAIUSA-N 1 2 375.491 -0.592 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NC[C@@H]1CCCO1 ZINC000333685395 530296915 /nfs/dbraw/zinc/29/69/15/530296915.db2.gz AHVCGGMWUKENEN-LSDHHAIUSA-N 1 2 375.491 -0.592 20 0 GBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000334002867 1073166190 /nfs/dbraw/zinc/16/61/90/1073166190.db2.gz WZHKCWBJJKYOTH-GJZGRUSLSA-N 1 2 383.493 -0.526 20 0 GBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000334002878 1073165958 /nfs/dbraw/zinc/16/59/58/1073165958.db2.gz WZHKCWBJJKYOTH-LSDHHAIUSA-N 1 2 383.493 -0.526 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000334082701 530280821 /nfs/dbraw/zinc/28/08/21/530280821.db2.gz ZGAFSYPMYOGPOI-CHWSQXEVSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000334082701 530280820 /nfs/dbraw/zinc/28/08/20/530280820.db2.gz ZGAFSYPMYOGPOI-CHWSQXEVSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000334082702 530280450 /nfs/dbraw/zinc/28/04/50/530280450.db2.gz ZGAFSYPMYOGPOI-OLZOCXBDSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000334082702 530280447 /nfs/dbraw/zinc/28/04/47/530280447.db2.gz ZGAFSYPMYOGPOI-OLZOCXBDSA-N 1 2 376.479 -0.653 20 0 GBADLO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000334086569 530280716 /nfs/dbraw/zinc/28/07/16/530280716.db2.gz ITEZXLKUSSWQSI-GJZGRUSLSA-N 1 2 375.539 -0.266 20 0 GBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000334086577 530280805 /nfs/dbraw/zinc/28/08/05/530280805.db2.gz ITEZXLKUSSWQSI-LSDHHAIUSA-N 1 2 375.539 -0.266 20 0 GBADLO C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CS1 ZINC000334119698 530297228 /nfs/dbraw/zinc/29/72/28/530297228.db2.gz KGQDABGXTQJLMD-KBPBESRZSA-N 1 2 391.563 -0.300 20 0 GBADLO C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CS1 ZINC000334119699 530297091 /nfs/dbraw/zinc/29/70/91/530297091.db2.gz KGQDABGXTQJLMD-KGLIPLIRSA-N 1 2 391.563 -0.300 20 0 GBADLO C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CS1 ZINC000334119700 530296997 /nfs/dbraw/zinc/29/69/97/530296997.db2.gz KGQDABGXTQJLMD-UONOGXRCSA-N 1 2 391.563 -0.300 20 0 GBADLO C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CS1 ZINC000334119701 530296978 /nfs/dbraw/zinc/29/69/78/530296978.db2.gz KGQDABGXTQJLMD-ZIAGYGMSSA-N 1 2 391.563 -0.300 20 0 GBADLO CCc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)n[nH]1 ZINC000348338115 530073133 /nfs/dbraw/zinc/07/31/33/530073133.db2.gz FEUSFTGODXOHGD-LLVKDONJSA-N 1 2 394.523 -0.535 20 0 GBADLO CCc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H]([NH+](C)C)C2)n[nH]1 ZINC000348338116 530073117 /nfs/dbraw/zinc/07/31/17/530073117.db2.gz FEUSFTGODXOHGD-NSHDSACASA-N 1 2 394.523 -0.535 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCOCC(F)(F)C1)Nc1cc[nH+]cc1 ZINC000348339638 530329571 /nfs/dbraw/zinc/32/95/71/530329571.db2.gz GJGSTDRRNYVRMC-UHFFFAOYSA-N 1 2 399.441 -0.067 20 0 GBADLO COc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)ncn1 ZINC000348341891 530073305 /nfs/dbraw/zinc/07/33/05/530073305.db2.gz IPPIGCJKTAASPU-UHFFFAOYSA-N 1 2 393.491 -0.807 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)o1 ZINC000348346858 530073722 /nfs/dbraw/zinc/07/37/22/530073722.db2.gz MMJMWLOQAMZPSI-BETUJISGSA-N 1 2 392.503 -0.062 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)o1 ZINC000348346858 530073720 /nfs/dbraw/zinc/07/37/20/530073720.db2.gz MMJMWLOQAMZPSI-BETUJISGSA-N 1 2 392.503 -0.062 20 0 GBADLO CCc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)o1 ZINC000348351153 530308768 /nfs/dbraw/zinc/30/87/68/530308768.db2.gz PLBAEDIPOPOQJQ-UHFFFAOYSA-N 1 2 380.492 -0.056 20 0 GBADLO COc1cncnc1NS(=O)(=O)CCCS(=O)(=O)N1CC([NH+](C)C)C1 ZINC000348351917 530073686 /nfs/dbraw/zinc/07/36/86/530073686.db2.gz PRADZPWMKPOWMS-UHFFFAOYSA-N 1 2 393.491 -0.807 20 0 GBADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[N@@H+](C)CC2(C)C)nn1 ZINC000348358033 530358563 /nfs/dbraw/zinc/35/85/63/530358563.db2.gz XKQAGKMCEMPLJQ-UHFFFAOYSA-N 1 2 394.523 -0.697 20 0 GBADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[N@H+](C)CC2(C)C)nn1 ZINC000348358033 530358562 /nfs/dbraw/zinc/35/85/62/530358562.db2.gz XKQAGKMCEMPLJQ-UHFFFAOYSA-N 1 2 394.523 -0.697 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@H+](C)C2)o1 ZINC000348366043 530329969 /nfs/dbraw/zinc/32/99/69/530329969.db2.gz ASZCPFKXCYFZQI-GFCCVEGCSA-N 1 2 380.492 -0.014 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)o1 ZINC000348366043 530329968 /nfs/dbraw/zinc/32/99/68/530329968.db2.gz ASZCPFKXCYFZQI-GFCCVEGCSA-N 1 2 380.492 -0.014 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)o1 ZINC000348366051 530329950 /nfs/dbraw/zinc/32/99/50/530329950.db2.gz ASZCPFKXCYFZQI-LBPRGKRZSA-N 1 2 380.492 -0.014 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)o1 ZINC000348366051 530329947 /nfs/dbraw/zinc/32/99/47/530329947.db2.gz ASZCPFKXCYFZQI-LBPRGKRZSA-N 1 2 380.492 -0.014 20 0 GBADLO Cc1c(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)nnn1C ZINC000348366865 530329982 /nfs/dbraw/zinc/32/99/82/530329982.db2.gz BPALKTJTUOYGHO-UHFFFAOYSA-N 1 2 394.523 -0.777 20 0 GBADLO Cc1c(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)nnn1C ZINC000348366865 530329980 /nfs/dbraw/zinc/32/99/80/530329980.db2.gz BPALKTJTUOYGHO-UHFFFAOYSA-N 1 2 394.523 -0.777 20 0 GBADLO COc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)ncn1 ZINC000348374667 530329887 /nfs/dbraw/zinc/32/98/87/530329887.db2.gz FUYHBPSGVRJOSF-UHFFFAOYSA-N 1 2 393.491 -0.806 20 0 GBADLO COc1cncnc1NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000348380793 530330435 /nfs/dbraw/zinc/33/04/35/530330435.db2.gz JWMNXGYBFBDQMR-UHFFFAOYSA-N 1 2 393.491 -0.806 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NCC1=CCCOC1 ZINC000348381838 530074819 /nfs/dbraw/zinc/07/48/19/530074819.db2.gz KEQURSDNXBEPGL-UHFFFAOYSA-N 1 2 375.472 -0.099 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnn(C)c2C)CC1 ZINC000348382070 530330863 /nfs/dbraw/zinc/33/08/63/530330863.db2.gz KRAFYFLXRFTBGU-UHFFFAOYSA-N 1 2 394.523 -0.777 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCn2nncc2C1)Nc1cc[nH+]cc1 ZINC000348384330 530075004 /nfs/dbraw/zinc/07/50/04/530075004.db2.gz LYSJLOHUCSMOIK-UHFFFAOYSA-N 1 2 386.459 -0.928 20 0 GBADLO CC(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)CC1 ZINC000348387995 530074864 /nfs/dbraw/zinc/07/48/64/530074864.db2.gz PKYKZDAYXZNZKN-UHFFFAOYSA-N 1 2 394.523 -0.697 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H](C)c2nnc[nH]2)cc[nH+]1 ZINC000348391358 530075183 /nfs/dbraw/zinc/07/51/83/530075183.db2.gz TVAGPNFLHKBNSB-LLVKDONJSA-N 1 2 388.475 -0.258 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)c2nnc[nH]2)cc[nH+]1 ZINC000348391360 530075316 /nfs/dbraw/zinc/07/53/16/530075316.db2.gz TVAGPNFLHKBNSB-NSHDSACASA-N 1 2 388.475 -0.258 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)o1 ZINC000348395338 530330626 /nfs/dbraw/zinc/33/06/26/530330626.db2.gz WBQVXHCZGQLSLK-CYBMUJFWSA-N 1 2 396.491 -0.899 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)o1 ZINC000348395338 530330625 /nfs/dbraw/zinc/33/06/25/530330625.db2.gz WBQVXHCZGQLSLK-CYBMUJFWSA-N 1 2 396.491 -0.899 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)o1 ZINC000348395345 530330685 /nfs/dbraw/zinc/33/06/85/530330685.db2.gz WBQVXHCZGQLSLK-ZDUSSCGKSA-N 1 2 396.491 -0.899 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC000348395345 530330683 /nfs/dbraw/zinc/33/06/83/530330683.db2.gz WBQVXHCZGQLSLK-ZDUSSCGKSA-N 1 2 396.491 -0.899 20 0 GBADLO O=C1CN(C2CC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000348432390 1073886205 /nfs/dbraw/zinc/88/62/05/1073886205.db2.gz SCTFEBWAGDTNII-UHFFFAOYSA-N 1 2 393.469 -0.040 20 0 GBADLO O=C(CCN1C(=O)[C@@H]2[C@H](O)CCCN2C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000349363742 1073943303 /nfs/dbraw/zinc/94/33/03/1073943303.db2.gz KOBQQABZZBEFAA-PBHICJAKSA-N 1 2 387.440 -0.092 20 0 GBADLO O=C(CCN1C(=O)[C@H]2[C@H](O)CCCN2C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000349363743 1073943224 /nfs/dbraw/zinc/94/32/24/1073943224.db2.gz KOBQQABZZBEFAA-RHSMWYFYSA-N 1 2 387.440 -0.092 20 0 GBADLO O=C(CCN1C(=O)[C@H]2[C@@H](O)CCCN2C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000349363744 1073943084 /nfs/dbraw/zinc/94/30/84/1073943084.db2.gz KOBQQABZZBEFAA-WMLDXEAASA-N 1 2 387.440 -0.092 20 0 GBADLO O=C(CCN1C(=O)[C@@H]2[C@@H](O)CCCN2C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000349363745 1073943317 /nfs/dbraw/zinc/94/33/17/1073943317.db2.gz KOBQQABZZBEFAA-YOEHRIQHSA-N 1 2 387.440 -0.092 20 0 GBADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCc3c[nH+]ccc32)nn1 ZINC000349452903 530076348 /nfs/dbraw/zinc/07/63/48/530076348.db2.gz OPNPOYNIFUMZFT-UHFFFAOYSA-N 1 2 386.459 -0.266 20 0 GBADLO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3ccon3)C[C@@H]21 ZINC000349453984 530076521 /nfs/dbraw/zinc/07/65/21/530076521.db2.gz BEMAEJLVCLLDQB-NEPJUHHUSA-N 1 2 378.476 -0.228 20 0 GBADLO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3ccon3)C[C@@H]21 ZINC000349453984 530076518 /nfs/dbraw/zinc/07/65/18/530076518.db2.gz BEMAEJLVCLLDQB-NEPJUHHUSA-N 1 2 378.476 -0.228 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)CC[N@@H+]1C ZINC000349454965 530076368 /nfs/dbraw/zinc/07/63/68/530076368.db2.gz BZAMQIYBXOHNKN-NEPJUHHUSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)CC[N@H+]1C ZINC000349454965 530076367 /nfs/dbraw/zinc/07/63/67/530076367.db2.gz BZAMQIYBXOHNKN-NEPJUHHUSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349454966 530076390 /nfs/dbraw/zinc/07/63/90/530076390.db2.gz BZAMQIYBXOHNKN-NWDGAFQWSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349454966 530076389 /nfs/dbraw/zinc/07/63/89/530076389.db2.gz BZAMQIYBXOHNKN-NWDGAFQWSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349454967 530076558 /nfs/dbraw/zinc/07/65/58/530076558.db2.gz BZAMQIYBXOHNKN-RYUDHWBXSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349454967 530076556 /nfs/dbraw/zinc/07/65/56/530076556.db2.gz BZAMQIYBXOHNKN-RYUDHWBXSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349454969 530076508 /nfs/dbraw/zinc/07/65/08/530076508.db2.gz BZAMQIYBXOHNKN-VXGBXAGGSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349454969 530076506 /nfs/dbraw/zinc/07/65/06/530076506.db2.gz BZAMQIYBXOHNKN-VXGBXAGGSA-N 1 2 394.523 -0.699 20 0 GBADLO C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C1 ZINC000349455008 530332896 /nfs/dbraw/zinc/33/28/96/530332896.db2.gz CAKMJWULKBBYDK-CYBMUJFWSA-N 1 2 391.519 -0.178 20 0 GBADLO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C1 ZINC000349455010 530332975 /nfs/dbraw/zinc/33/29/75/530332975.db2.gz CAKMJWULKBBYDK-ZDUSSCGKSA-N 1 2 391.519 -0.178 20 0 GBADLO O=C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CN1C1CC1 ZINC000349455735 530076752 /nfs/dbraw/zinc/07/67/52/530076752.db2.gz IHDJELNLOPTDEH-UHFFFAOYSA-N 1 2 388.471 -0.771 20 0 GBADLO CCN1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1=O ZINC000349456825 530076915 /nfs/dbraw/zinc/07/69/15/530076915.db2.gz JKKHYJQUMMMTJU-UHFFFAOYSA-N 1 2 376.460 -0.913 20 0 GBADLO CC1(C)[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349456874 530364601 /nfs/dbraw/zinc/36/46/01/530364601.db2.gz FCDXDOLXGXXBEH-CYBMUJFWSA-N 1 2 377.488 -0.190 20 0 GBADLO CC1(C)[C@@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349456875 530364458 /nfs/dbraw/zinc/36/44/58/530364458.db2.gz FCDXDOLXGXXBEH-ZDUSSCGKSA-N 1 2 377.488 -0.190 20 0 GBADLO COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349457199 530076122 /nfs/dbraw/zinc/07/61/22/530076122.db2.gz DQQHYGXVUKVQDN-UONOGXRCSA-N 1 2 393.487 -0.953 20 0 GBADLO COC[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349457204 530076221 /nfs/dbraw/zinc/07/62/21/530076221.db2.gz DQQHYGXVUKVQDN-ZIAGYGMSSA-N 1 2 393.487 -0.953 20 0 GBADLO CN(CC1(O)CCC1)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349459324 530076961 /nfs/dbraw/zinc/07/69/61/530076961.db2.gz NJNUCYHUVCABCP-UHFFFAOYSA-N 1 2 377.488 -0.188 20 0 GBADLO CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H]1O ZINC000349459386 530333430 /nfs/dbraw/zinc/33/34/30/530333430.db2.gz HGGIAVWTBRWFCE-GXTWGEPZSA-N 1 2 377.488 -0.332 20 0 GBADLO CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@H]1O ZINC000349459387 530333388 /nfs/dbraw/zinc/33/33/88/530333388.db2.gz HGGIAVWTBRWFCE-JSGCOSHPSA-N 1 2 377.488 -0.332 20 0 GBADLO CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@H]1O ZINC000349459388 530333329 /nfs/dbraw/zinc/33/33/29/530333329.db2.gz HGGIAVWTBRWFCE-OCCSQVGLSA-N 1 2 377.488 -0.332 20 0 GBADLO CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H]1O ZINC000349459389 530333425 /nfs/dbraw/zinc/33/34/25/530333425.db2.gz HGGIAVWTBRWFCE-TZMCWYRMSA-N 1 2 377.488 -0.332 20 0 GBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccncc1 ZINC000349460516 530077351 /nfs/dbraw/zinc/07/73/51/530077351.db2.gz ILHHTKSZPMUUDN-KBPBESRZSA-N 1 2 390.531 -0.011 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccncc1 ZINC000349460516 530077350 /nfs/dbraw/zinc/07/73/50/530077350.db2.gz ILHHTKSZPMUUDN-KBPBESRZSA-N 1 2 390.531 -0.011 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2ccncc2)CC[N@@H+]1C ZINC000349460517 530077530 /nfs/dbraw/zinc/07/75/30/530077530.db2.gz ILHHTKSZPMUUDN-KGLIPLIRSA-N 1 2 390.531 -0.011 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2ccncc2)CC[N@H+]1C ZINC000349460517 530077528 /nfs/dbraw/zinc/07/75/28/530077528.db2.gz ILHHTKSZPMUUDN-KGLIPLIRSA-N 1 2 390.531 -0.011 20 0 GBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccncc1 ZINC000349460518 530077308 /nfs/dbraw/zinc/07/73/08/530077308.db2.gz ILHHTKSZPMUUDN-UONOGXRCSA-N 1 2 390.531 -0.011 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccncc1 ZINC000349460518 530077306 /nfs/dbraw/zinc/07/73/06/530077306.db2.gz ILHHTKSZPMUUDN-UONOGXRCSA-N 1 2 390.531 -0.011 20 0 GBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccncc1 ZINC000349460519 530077359 /nfs/dbraw/zinc/07/73/59/530077359.db2.gz ILHHTKSZPMUUDN-ZIAGYGMSSA-N 1 2 390.531 -0.011 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccncc1 ZINC000349460519 530077358 /nfs/dbraw/zinc/07/73/58/530077358.db2.gz ILHHTKSZPMUUDN-ZIAGYGMSSA-N 1 2 390.531 -0.011 20 0 GBADLO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3nncs3)C[C@@H]21 ZINC000349461296 530333445 /nfs/dbraw/zinc/33/34/45/530333445.db2.gz HFWZLNCSKUYHEZ-MNOVXSKESA-N 1 2 395.532 -0.364 20 0 GBADLO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3nncs3)C[C@@H]21 ZINC000349461296 530333443 /nfs/dbraw/zinc/33/34/43/530333443.db2.gz HFWZLNCSKUYHEZ-MNOVXSKESA-N 1 2 395.532 -0.364 20 0 GBADLO Cc1noc(CN(C)S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)n1 ZINC000349461613 530363436 /nfs/dbraw/zinc/36/34/36/530363436.db2.gz REXPUQIQFAIUKX-UHFFFAOYSA-N 1 2 389.459 -0.211 20 0 GBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1 ZINC000349462095 530333348 /nfs/dbraw/zinc/33/33/48/530333348.db2.gz KVGOFWFRPXMFJK-CHWSQXEVSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1 ZINC000349462095 530333346 /nfs/dbraw/zinc/33/33/46/530333346.db2.gz KVGOFWFRPXMFJK-CHWSQXEVSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)CC[N@@H+]1C ZINC000349462098 530333216 /nfs/dbraw/zinc/33/32/16/530333216.db2.gz KVGOFWFRPXMFJK-OLZOCXBDSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)CC[N@H+]1C ZINC000349462098 530333214 /nfs/dbraw/zinc/33/32/14/530333214.db2.gz KVGOFWFRPXMFJK-OLZOCXBDSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1 ZINC000349462100 530333398 /nfs/dbraw/zinc/33/33/98/530333398.db2.gz KVGOFWFRPXMFJK-QWHCGFSZSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1 ZINC000349462100 530333397 /nfs/dbraw/zinc/33/33/97/530333397.db2.gz KVGOFWFRPXMFJK-QWHCGFSZSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1 ZINC000349462102 530333382 /nfs/dbraw/zinc/33/33/82/530333382.db2.gz KVGOFWFRPXMFJK-STQMWFEESA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1 ZINC000349462102 530333380 /nfs/dbraw/zinc/33/33/80/530333380.db2.gz KVGOFWFRPXMFJK-STQMWFEESA-N 1 2 391.519 -0.037 20 0 GBADLO CO[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@H]1OC ZINC000349462155 530077401 /nfs/dbraw/zinc/07/74/01/530077401.db2.gz SFXWASYINPBEQD-OKILXGFUSA-N 1 2 393.487 -0.689 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC(O)(C(F)F)C1)Nc1cc[nH+]cc1 ZINC000349463103 530332112 /nfs/dbraw/zinc/33/21/12/530332112.db2.gz IVZVBRSNYXKUBI-UHFFFAOYSA-N 1 2 385.414 -0.723 20 0 GBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1 ZINC000349463314 530077888 /nfs/dbraw/zinc/07/78/88/530077888.db2.gz MGBUYXFOZNDYJO-CHWSQXEVSA-N 1 2 393.535 -0.094 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1 ZINC000349463314 530077885 /nfs/dbraw/zinc/07/78/85/530077885.db2.gz MGBUYXFOZNDYJO-CHWSQXEVSA-N 1 2 393.535 -0.094 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)CC[N@@H+]1C ZINC000349463316 530077837 /nfs/dbraw/zinc/07/78/37/530077837.db2.gz MGBUYXFOZNDYJO-OLZOCXBDSA-N 1 2 393.535 -0.094 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)CC[N@H+]1C ZINC000349463316 530077835 /nfs/dbraw/zinc/07/78/35/530077835.db2.gz MGBUYXFOZNDYJO-OLZOCXBDSA-N 1 2 393.535 -0.094 20 0 GBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1 ZINC000349463317 530078020 /nfs/dbraw/zinc/07/80/20/530078020.db2.gz MGBUYXFOZNDYJO-QWHCGFSZSA-N 1 2 393.535 -0.094 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1 ZINC000349463317 530078017 /nfs/dbraw/zinc/07/80/17/530078017.db2.gz MGBUYXFOZNDYJO-QWHCGFSZSA-N 1 2 393.535 -0.094 20 0 GBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1 ZINC000349463319 530077822 /nfs/dbraw/zinc/07/78/22/530077822.db2.gz MGBUYXFOZNDYJO-STQMWFEESA-N 1 2 393.535 -0.094 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1 ZINC000349463319 530077821 /nfs/dbraw/zinc/07/78/21/530077821.db2.gz MGBUYXFOZNDYJO-STQMWFEESA-N 1 2 393.535 -0.094 20 0 GBADLO Cn1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000349464044 530078257 /nfs/dbraw/zinc/07/82/57/530078257.db2.gz ZHBGURGIISMALR-UHFFFAOYSA-N 1 2 386.459 -0.844 20 0 GBADLO Cc1nc(CN(C)S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)no1 ZINC000349465009 530337845 /nfs/dbraw/zinc/33/78/45/530337845.db2.gz XNXVUHWHEJZRHG-UHFFFAOYSA-N 1 2 389.459 -0.211 20 0 GBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349466224 530078503 /nfs/dbraw/zinc/07/85/03/530078503.db2.gz QIELTCXJTFFUQZ-GHMZBOCLSA-N 1 2 380.496 -0.709 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349466224 530078501 /nfs/dbraw/zinc/07/85/01/530078501.db2.gz QIELTCXJTFFUQZ-GHMZBOCLSA-N 1 2 380.496 -0.709 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC[N@@H+]1C ZINC000349466226 530078716 /nfs/dbraw/zinc/07/87/16/530078716.db2.gz QIELTCXJTFFUQZ-MNOVXSKESA-N 1 2 380.496 -0.709 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC[N@H+]1C ZINC000349466226 530078715 /nfs/dbraw/zinc/07/87/15/530078715.db2.gz QIELTCXJTFFUQZ-MNOVXSKESA-N 1 2 380.496 -0.709 20 0 GBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349466227 530078757 /nfs/dbraw/zinc/07/87/57/530078757.db2.gz QIELTCXJTFFUQZ-QWRGUYRKSA-N 1 2 380.496 -0.709 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349466227 530078756 /nfs/dbraw/zinc/07/87/56/530078756.db2.gz QIELTCXJTFFUQZ-QWRGUYRKSA-N 1 2 380.496 -0.709 20 0 GBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349466228 530078669 /nfs/dbraw/zinc/07/86/69/530078669.db2.gz QIELTCXJTFFUQZ-WDEREUQCSA-N 1 2 380.496 -0.709 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349466228 530078667 /nfs/dbraw/zinc/07/86/67/530078667.db2.gz QIELTCXJTFFUQZ-WDEREUQCSA-N 1 2 380.496 -0.709 20 0 GBADLO C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nncs2)C1 ZINC000349466233 530078493 /nfs/dbraw/zinc/07/84/93/530078493.db2.gz QJFSMVPSPNWFHF-LLVKDONJSA-N 1 2 397.548 -0.117 20 0 GBADLO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nncs2)C1 ZINC000349466234 530078728 /nfs/dbraw/zinc/07/87/28/530078728.db2.gz QJFSMVPSPNWFHF-NSHDSACASA-N 1 2 397.548 -0.117 20 0 GBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)NCC(F)F ZINC000349466976 530078590 /nfs/dbraw/zinc/07/85/90/530078590.db2.gz RVDYUEVJWIIXFA-GHMZBOCLSA-N 1 2 377.479 -0.085 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)NCC(F)F ZINC000349466976 530078588 /nfs/dbraw/zinc/07/85/88/530078588.db2.gz RVDYUEVJWIIXFA-GHMZBOCLSA-N 1 2 377.479 -0.085 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)NCC(F)F)CC[N@@H+]1C ZINC000349466981 530078569 /nfs/dbraw/zinc/07/85/69/530078569.db2.gz RVDYUEVJWIIXFA-MNOVXSKESA-N 1 2 377.479 -0.085 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)NCC(F)F)CC[N@H+]1C ZINC000349466981 530078566 /nfs/dbraw/zinc/07/85/66/530078566.db2.gz RVDYUEVJWIIXFA-MNOVXSKESA-N 1 2 377.479 -0.085 20 0 GBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)NCC(F)F ZINC000349466983 530078555 /nfs/dbraw/zinc/07/85/55/530078555.db2.gz RVDYUEVJWIIXFA-QWRGUYRKSA-N 1 2 377.479 -0.085 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)NCC(F)F ZINC000349466983 530078552 /nfs/dbraw/zinc/07/85/52/530078552.db2.gz RVDYUEVJWIIXFA-QWRGUYRKSA-N 1 2 377.479 -0.085 20 0 GBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)NCC(F)F ZINC000349466985 530078775 /nfs/dbraw/zinc/07/87/75/530078775.db2.gz RVDYUEVJWIIXFA-WDEREUQCSA-N 1 2 377.479 -0.085 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)NCC(F)F ZINC000349466985 530078773 /nfs/dbraw/zinc/07/87/73/530078773.db2.gz RVDYUEVJWIIXFA-WDEREUQCSA-N 1 2 377.479 -0.085 20 0 GBADLO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)NCC(F)(F)F)C[C@@H]21 ZINC000349467771 530363991 /nfs/dbraw/zinc/36/39/91/530363991.db2.gz OCQHZXGEVNVCMB-MNOVXSKESA-N 1 2 393.453 -0.176 20 0 GBADLO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)NCC(F)(F)F)C[C@@H]21 ZINC000349467771 530363990 /nfs/dbraw/zinc/36/39/90/530363990.db2.gz OCQHZXGEVNVCMB-MNOVXSKESA-N 1 2 393.453 -0.176 20 0 GBADLO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349468823 530079009 /nfs/dbraw/zinc/07/90/09/530079009.db2.gz ADIWRVVQBDBVNH-LLVKDONJSA-N 1 2 380.496 -0.708 20 0 GBADLO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349468823 530079007 /nfs/dbraw/zinc/07/90/07/530079007.db2.gz ADIWRVVQBDBVNH-LLVKDONJSA-N 1 2 380.496 -0.708 20 0 GBADLO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349468823 530079005 /nfs/dbraw/zinc/07/90/05/530079005.db2.gz ADIWRVVQBDBVNH-LLVKDONJSA-N 1 2 380.496 -0.708 20 0 GBADLO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349468823 530079004 /nfs/dbraw/zinc/07/90/04/530079004.db2.gz ADIWRVVQBDBVNH-LLVKDONJSA-N 1 2 380.496 -0.708 20 0 GBADLO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349468824 530079196 /nfs/dbraw/zinc/07/91/96/530079196.db2.gz ADIWRVVQBDBVNH-NSHDSACASA-N 1 2 380.496 -0.708 20 0 GBADLO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349468824 530079194 /nfs/dbraw/zinc/07/91/94/530079194.db2.gz ADIWRVVQBDBVNH-NSHDSACASA-N 1 2 380.496 -0.708 20 0 GBADLO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349468824 530079192 /nfs/dbraw/zinc/07/91/92/530079192.db2.gz ADIWRVVQBDBVNH-NSHDSACASA-N 1 2 380.496 -0.708 20 0 GBADLO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349468824 530079190 /nfs/dbraw/zinc/07/91/90/530079190.db2.gz ADIWRVVQBDBVNH-NSHDSACASA-N 1 2 380.496 -0.708 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)CC[N@@H+]1C ZINC000349468920 530338255 /nfs/dbraw/zinc/33/82/55/530338255.db2.gz WDSXSYQYQRQDSA-NEPJUHHUSA-N 1 2 379.508 -0.104 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)CC[N@H+]1C ZINC000349468920 530338254 /nfs/dbraw/zinc/33/82/54/530338254.db2.gz WDSXSYQYQRQDSA-NEPJUHHUSA-N 1 2 379.508 -0.104 20 0 GBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349468921 530338357 /nfs/dbraw/zinc/33/83/57/530338357.db2.gz WDSXSYQYQRQDSA-NWDGAFQWSA-N 1 2 379.508 -0.104 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349468921 530338356 /nfs/dbraw/zinc/33/83/56/530338356.db2.gz WDSXSYQYQRQDSA-NWDGAFQWSA-N 1 2 379.508 -0.104 20 0 GBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349468923 530338302 /nfs/dbraw/zinc/33/83/02/530338302.db2.gz WDSXSYQYQRQDSA-RYUDHWBXSA-N 1 2 379.508 -0.104 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349468923 530338301 /nfs/dbraw/zinc/33/83/01/530338301.db2.gz WDSXSYQYQRQDSA-RYUDHWBXSA-N 1 2 379.508 -0.104 20 0 GBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349468924 530338263 /nfs/dbraw/zinc/33/82/63/530338263.db2.gz WDSXSYQYQRQDSA-VXGBXAGGSA-N 1 2 379.508 -0.104 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349468924 530338262 /nfs/dbraw/zinc/33/82/62/530338262.db2.gz WDSXSYQYQRQDSA-VXGBXAGGSA-N 1 2 379.508 -0.104 20 0 GBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349468935 530079032 /nfs/dbraw/zinc/07/90/32/530079032.db2.gz WEQQFNMZDANLOR-CHWSQXEVSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349468935 530079029 /nfs/dbraw/zinc/07/90/29/530079029.db2.gz WEQQFNMZDANLOR-CHWSQXEVSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)CC[N@@H+]1C ZINC000349468936 530078921 /nfs/dbraw/zinc/07/89/21/530078921.db2.gz WEQQFNMZDANLOR-OLZOCXBDSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)CC[N@H+]1C ZINC000349468936 530078918 /nfs/dbraw/zinc/07/89/18/530078918.db2.gz WEQQFNMZDANLOR-OLZOCXBDSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349468937 530079212 /nfs/dbraw/zinc/07/92/12/530079212.db2.gz WEQQFNMZDANLOR-QWHCGFSZSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349468937 530079211 /nfs/dbraw/zinc/07/92/11/530079211.db2.gz WEQQFNMZDANLOR-QWHCGFSZSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349468938 530078968 /nfs/dbraw/zinc/07/89/68/530078968.db2.gz WEQQFNMZDANLOR-STQMWFEESA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349468938 530078965 /nfs/dbraw/zinc/07/89/65/530078965.db2.gz WEQQFNMZDANLOR-STQMWFEESA-N 1 2 391.519 -0.037 20 0 GBADLO O=[S@@]1C[C@@H]2C[C@H]1CN2S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349469079 530338314 /nfs/dbraw/zinc/33/83/14/530338314.db2.gz QEIAOUUMFBFEPK-UTWWPYJBSA-N 1 2 393.512 -0.830 20 0 GBADLO O=[S@]1C[C@@H]2C[C@H]1CN2S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349469084 530338333 /nfs/dbraw/zinc/33/83/33/530338333.db2.gz QEIAOUUMFBFEPK-MZFXBISCSA-N 1 2 393.512 -0.830 20 0 GBADLO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349469895 530079476 /nfs/dbraw/zinc/07/94/76/530079476.db2.gz BXOCROLMGPWWBM-GFCCVEGCSA-N 1 2 394.523 -0.697 20 0 GBADLO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349469895 530079475 /nfs/dbraw/zinc/07/94/75/530079475.db2.gz BXOCROLMGPWWBM-GFCCVEGCSA-N 1 2 394.523 -0.697 20 0 GBADLO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349469898 530079316 /nfs/dbraw/zinc/07/93/16/530079316.db2.gz BXOCROLMGPWWBM-LBPRGKRZSA-N 1 2 394.523 -0.697 20 0 GBADLO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349469898 530079315 /nfs/dbraw/zinc/07/93/15/530079315.db2.gz BXOCROLMGPWWBM-LBPRGKRZSA-N 1 2 394.523 -0.697 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)CC[N@@H+]1C ZINC000349470087 530079506 /nfs/dbraw/zinc/07/95/06/530079506.db2.gz XOJYTECKRFWGMZ-NEPJUHHUSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)CC[N@H+]1C ZINC000349470087 530079505 /nfs/dbraw/zinc/07/95/05/530079505.db2.gz XOJYTECKRFWGMZ-NEPJUHHUSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncn(C)n2)CC[N@H+]1C ZINC000349470087 530079501 /nfs/dbraw/zinc/07/95/01/530079501.db2.gz XOJYTECKRFWGMZ-NEPJUHHUSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349470088 530079274 /nfs/dbraw/zinc/07/92/74/530079274.db2.gz XOJYTECKRFWGMZ-NWDGAFQWSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349470088 530079273 /nfs/dbraw/zinc/07/92/73/530079273.db2.gz XOJYTECKRFWGMZ-NWDGAFQWSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349470088 530079271 /nfs/dbraw/zinc/07/92/71/530079271.db2.gz XOJYTECKRFWGMZ-NWDGAFQWSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349470089 530079404 /nfs/dbraw/zinc/07/94/04/530079404.db2.gz XOJYTECKRFWGMZ-RYUDHWBXSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349470089 530079401 /nfs/dbraw/zinc/07/94/01/530079401.db2.gz XOJYTECKRFWGMZ-RYUDHWBXSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349470089 530079398 /nfs/dbraw/zinc/07/93/98/530079398.db2.gz XOJYTECKRFWGMZ-RYUDHWBXSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349470090 530079515 /nfs/dbraw/zinc/07/95/15/530079515.db2.gz XOJYTECKRFWGMZ-VXGBXAGGSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349470090 530079513 /nfs/dbraw/zinc/07/95/13/530079513.db2.gz XOJYTECKRFWGMZ-VXGBXAGGSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349470090 530079510 /nfs/dbraw/zinc/07/95/10/530079510.db2.gz XOJYTECKRFWGMZ-VXGBXAGGSA-N 1 2 394.523 -0.699 20 0 GBADLO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3ncccn3)C[C@@H]21 ZINC000349470470 530338596 /nfs/dbraw/zinc/33/85/96/530338596.db2.gz SKTYIKHWOCYOBC-OLZOCXBDSA-N 1 2 389.503 -0.426 20 0 GBADLO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3ncccn3)C[C@@H]21 ZINC000349470470 530338594 /nfs/dbraw/zinc/33/85/94/530338594.db2.gz SKTYIKHWOCYOBC-OLZOCXBDSA-N 1 2 389.503 -0.426 20 0 GBADLO CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H]1O ZINC000349470682 530364304 /nfs/dbraw/zinc/36/43/04/530364304.db2.gz YRVNZOKVQMTYPP-CYBMUJFWSA-N 1 2 377.488 -0.332 20 0 GBADLO CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@H]1O ZINC000349470683 530364147 /nfs/dbraw/zinc/36/41/47/530364147.db2.gz YRVNZOKVQMTYPP-ZDUSSCGKSA-N 1 2 377.488 -0.332 20 0 GBADLO CNC(=O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349470990 530079278 /nfs/dbraw/zinc/07/92/78/530079278.db2.gz DAIVHLVYNZBVOP-GFCCVEGCSA-N 1 2 390.487 -0.967 20 0 GBADLO CNC(=O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349470991 530079285 /nfs/dbraw/zinc/07/92/85/530079285.db2.gz DAIVHLVYNZBVOP-LBPRGKRZSA-N 1 2 390.487 -0.967 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@](O)(C(F)F)C1)Nc1cc[nH+]cc1 ZINC000349471839 530364295 /nfs/dbraw/zinc/36/42/95/530364295.db2.gz VGRTUNHXVNWFPQ-CYBMUJFWSA-N 1 2 399.441 -0.333 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@@](O)(C(F)F)C1)Nc1cc[nH+]cc1 ZINC000349471840 530364320 /nfs/dbraw/zinc/36/43/20/530364320.db2.gz VGRTUNHXVNWFPQ-ZDUSSCGKSA-N 1 2 399.441 -0.333 20 0 GBADLO CC(C)[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC[N@H+]1C ZINC000349473156 530079746 /nfs/dbraw/zinc/07/97/46/530079746.db2.gz HROYEKUDUGMAFZ-GFCCVEGCSA-N 1 2 394.523 -0.462 20 0 GBADLO CC(C)[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC[N@@H+]1C ZINC000349473156 530079745 /nfs/dbraw/zinc/07/97/45/530079745.db2.gz HROYEKUDUGMAFZ-GFCCVEGCSA-N 1 2 394.523 -0.462 20 0 GBADLO CC(C)[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC[N@H+]1C ZINC000349473164 530079811 /nfs/dbraw/zinc/07/98/11/530079811.db2.gz HROYEKUDUGMAFZ-LBPRGKRZSA-N 1 2 394.523 -0.462 20 0 GBADLO CC(C)[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC[N@@H+]1C ZINC000349473164 530079810 /nfs/dbraw/zinc/07/98/10/530079810.db2.gz HROYEKUDUGMAFZ-LBPRGKRZSA-N 1 2 394.523 -0.462 20 0 GBADLO CN([C@@H]1CCN(C)C1=O)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349474104 530080063 /nfs/dbraw/zinc/08/00/63/530080063.db2.gz CNEZPYDWMPFDOI-CYBMUJFWSA-N 1 2 390.487 -0.872 20 0 GBADLO CN([C@H]1CCN(C)C1=O)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349474108 530080083 /nfs/dbraw/zinc/08/00/83/530080083.db2.gz CNEZPYDWMPFDOI-ZDUSSCGKSA-N 1 2 390.487 -0.872 20 0 GBADLO COCC1(C)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349474949 530080192 /nfs/dbraw/zinc/08/01/92/530080192.db2.gz DTOGUWRDEUUBHQ-UHFFFAOYSA-N 1 2 377.488 -0.067 20 0 GBADLO CC(C)(C)NS(=O)(=O)CCCS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000349475322 530364325 /nfs/dbraw/zinc/36/43/25/530364325.db2.gz MJLUVNSILFOAKT-CYBMUJFWSA-N 1 2 383.536 -0.825 20 0 GBADLO CC(C)(C)NS(=O)(=O)CCCS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000349475322 530364324 /nfs/dbraw/zinc/36/43/24/530364324.db2.gz MJLUVNSILFOAKT-CYBMUJFWSA-N 1 2 383.536 -0.825 20 0 GBADLO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349475371 530080217 /nfs/dbraw/zinc/08/02/17/530080217.db2.gz MPWMQBUZLPUFGP-GFCCVEGCSA-N 1 2 394.523 -0.697 20 0 GBADLO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349475371 530080216 /nfs/dbraw/zinc/08/02/16/530080216.db2.gz MPWMQBUZLPUFGP-GFCCVEGCSA-N 1 2 394.523 -0.697 20 0 GBADLO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349475373 530080077 /nfs/dbraw/zinc/08/00/77/530080077.db2.gz MPWMQBUZLPUFGP-LBPRGKRZSA-N 1 2 394.523 -0.697 20 0 GBADLO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349475373 530080074 /nfs/dbraw/zinc/08/00/74/530080074.db2.gz MPWMQBUZLPUFGP-LBPRGKRZSA-N 1 2 394.523 -0.697 20 0 GBADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@H]1C ZINC000349476074 530080538 /nfs/dbraw/zinc/08/05/38/530080538.db2.gz OGZDBADIVDAVHL-NEPJUHHUSA-N 1 2 394.523 -0.319 20 0 GBADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@H]1C ZINC000349476074 530080537 /nfs/dbraw/zinc/08/05/37/530080537.db2.gz OGZDBADIVDAVHL-NEPJUHHUSA-N 1 2 394.523 -0.319 20 0 GBADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@@H]1C ZINC000349476082 530080693 /nfs/dbraw/zinc/08/06/93/530080693.db2.gz OGZDBADIVDAVHL-NWDGAFQWSA-N 1 2 394.523 -0.319 20 0 GBADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@@H]1C ZINC000349476082 530080692 /nfs/dbraw/zinc/08/06/92/530080692.db2.gz OGZDBADIVDAVHL-NWDGAFQWSA-N 1 2 394.523 -0.319 20 0 GBADLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@@H]1C ZINC000349476087 530080476 /nfs/dbraw/zinc/08/04/76/530080476.db2.gz OGZDBADIVDAVHL-RYUDHWBXSA-N 1 2 394.523 -0.319 20 0 GBADLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@@H]1C ZINC000349476087 530080473 /nfs/dbraw/zinc/08/04/73/530080473.db2.gz OGZDBADIVDAVHL-RYUDHWBXSA-N 1 2 394.523 -0.319 20 0 GBADLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@H]1C ZINC000349476093 530080430 /nfs/dbraw/zinc/08/04/30/530080430.db2.gz OGZDBADIVDAVHL-VXGBXAGGSA-N 1 2 394.523 -0.319 20 0 GBADLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@H]1C ZINC000349476093 530080428 /nfs/dbraw/zinc/08/04/28/530080428.db2.gz OGZDBADIVDAVHL-VXGBXAGGSA-N 1 2 394.523 -0.319 20 0 GBADLO CN(C(C)(C)C(N)=O)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349476424 530080669 /nfs/dbraw/zinc/08/06/69/530080669.db2.gz PFLIXDNDZJYRAB-UHFFFAOYSA-N 1 2 378.476 -0.839 20 0 GBADLO C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349476527 637485751 /nfs/dbraw/zinc/48/57/51/637485751.db2.gz PLNRQZRCENSYRX-GFCCVEGCSA-N 1 2 390.487 -0.872 20 0 GBADLO C[C@H]1CN(C)C(=O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349476534 637485676 /nfs/dbraw/zinc/48/56/76/637485676.db2.gz PLNRQZRCENSYRX-LBPRGKRZSA-N 1 2 390.487 -0.872 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Nc1nc[nH]n1 ZINC000349477818 530080609 /nfs/dbraw/zinc/08/06/09/530080609.db2.gz RFZBPTHUMJQKMX-GFCCVEGCSA-N 1 2 390.491 -0.788 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Nc1nnc[nH]1 ZINC000349477818 530080607 /nfs/dbraw/zinc/08/06/07/530080607.db2.gz RFZBPTHUMJQKMX-GFCCVEGCSA-N 1 2 390.491 -0.788 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Nc1nc[nH]n1 ZINC000349477819 530080686 /nfs/dbraw/zinc/08/06/86/530080686.db2.gz RFZBPTHUMJQKMX-LBPRGKRZSA-N 1 2 390.491 -0.788 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Nc1nnc[nH]1 ZINC000349477819 530080684 /nfs/dbraw/zinc/08/06/84/530080684.db2.gz RFZBPTHUMJQKMX-LBPRGKRZSA-N 1 2 390.491 -0.788 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCc2c[nH]nc2C1)Nc1cc[nH+]cc1 ZINC000349478140 530364604 /nfs/dbraw/zinc/36/46/04/530364604.db2.gz RYFYBKJWUSSBLU-UHFFFAOYSA-N 1 2 385.471 -0.254 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)Cc2nnc[nH]2)cc[nH+]1 ZINC000349478658 530080601 /nfs/dbraw/zinc/08/06/01/530080601.db2.gz KQMXOHFIHMAVSL-UHFFFAOYSA-N 1 2 388.475 -0.476 20 0 GBADLO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349479236 530080888 /nfs/dbraw/zinc/08/08/88/530080888.db2.gz UBZGIPGPGLLSPF-CYBMUJFWSA-N 1 2 391.519 -0.036 20 0 GBADLO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349479236 530080887 /nfs/dbraw/zinc/08/08/87/530080887.db2.gz UBZGIPGPGLLSPF-CYBMUJFWSA-N 1 2 391.519 -0.036 20 0 GBADLO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349479237 530080840 /nfs/dbraw/zinc/08/08/40/530080840.db2.gz UBZGIPGPGLLSPF-ZDUSSCGKSA-N 1 2 391.519 -0.036 20 0 GBADLO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349479237 530080837 /nfs/dbraw/zinc/08/08/37/530080837.db2.gz UBZGIPGPGLLSPF-ZDUSSCGKSA-N 1 2 391.519 -0.036 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC[C@H]1CCO)Nc1cc[nH+]cc1 ZINC000349480203 530081057 /nfs/dbraw/zinc/08/10/57/530081057.db2.gz XBHHCURTRLLIAS-AWEZNQCLSA-N 1 2 377.488 -0.188 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H]1CCO)Nc1cc[nH+]cc1 ZINC000349480204 530081050 /nfs/dbraw/zinc/08/10/50/530081050.db2.gz XBHHCURTRLLIAS-CQSZACIVSA-N 1 2 377.488 -0.188 20 0 GBADLO CC(C)C1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349480794 637486272 /nfs/dbraw/zinc/48/62/72/637486272.db2.gz YNBLTAKHGOIQTG-UHFFFAOYSA-N 1 2 377.488 -0.332 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1=O ZINC000349481043 530080783 /nfs/dbraw/zinc/08/07/83/530080783.db2.gz YWLZWIAYJXHRNT-UHFFFAOYSA-N 1 2 390.487 -0.871 20 0 GBADLO CCN([C@@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349484542 530081440 /nfs/dbraw/zinc/08/14/40/530081440.db2.gz SDTBSVQDWHHEFA-CYBMUJFWSA-N 1 2 390.487 -0.825 20 0 GBADLO CCN([C@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349484546 530081299 /nfs/dbraw/zinc/08/12/99/530081299.db2.gz SDTBSVQDWHHEFA-ZDUSSCGKSA-N 1 2 390.487 -0.825 20 0 GBADLO C[C@]1(C(N)=O)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349485433 530081700 /nfs/dbraw/zinc/08/17/00/530081700.db2.gz AOGAQZJVQIRHTO-AWEZNQCLSA-N 1 2 390.487 -0.838 20 0 GBADLO C[C@@]1(C(N)=O)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349485434 530081745 /nfs/dbraw/zinc/08/17/45/530081745.db2.gz AOGAQZJVQIRHTO-CQSZACIVSA-N 1 2 390.487 -0.838 20 0 GBADLO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C1 ZINC000349486817 530081601 /nfs/dbraw/zinc/08/16/01/530081601.db2.gz CLYRXUFMMMQNBY-GFCCVEGCSA-N 1 2 394.523 -0.319 20 0 GBADLO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C1 ZINC000349486817 530081599 /nfs/dbraw/zinc/08/15/99/530081599.db2.gz CLYRXUFMMMQNBY-GFCCVEGCSA-N 1 2 394.523 -0.319 20 0 GBADLO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C1 ZINC000349486817 530081597 /nfs/dbraw/zinc/08/15/97/530081597.db2.gz CLYRXUFMMMQNBY-GFCCVEGCSA-N 1 2 394.523 -0.319 20 0 GBADLO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C1 ZINC000349486818 530081573 /nfs/dbraw/zinc/08/15/73/530081573.db2.gz CLYRXUFMMMQNBY-LBPRGKRZSA-N 1 2 394.523 -0.319 20 0 GBADLO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C1 ZINC000349486818 530081570 /nfs/dbraw/zinc/08/15/70/530081570.db2.gz CLYRXUFMMMQNBY-LBPRGKRZSA-N 1 2 394.523 -0.319 20 0 GBADLO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C1 ZINC000349486818 530081568 /nfs/dbraw/zinc/08/15/68/530081568.db2.gz CLYRXUFMMMQNBY-LBPRGKRZSA-N 1 2 394.523 -0.319 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)no1 ZINC000349486977 530081545 /nfs/dbraw/zinc/08/15/45/530081545.db2.gz BGYAVLNAXKSWPI-BETUJISGSA-N 1 2 392.503 -0.062 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)no1 ZINC000349486977 530081544 /nfs/dbraw/zinc/08/15/44/530081544.db2.gz BGYAVLNAXKSWPI-BETUJISGSA-N 1 2 392.503 -0.062 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC(=O)N1C ZINC000349486980 530081516 /nfs/dbraw/zinc/08/15/16/530081516.db2.gz BHUOUGAFGUMVEZ-GFCCVEGCSA-N 1 2 390.487 -0.872 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC(=O)N1C ZINC000349486981 530081758 /nfs/dbraw/zinc/08/17/58/530081758.db2.gz BHUOUGAFGUMVEZ-LBPRGKRZSA-N 1 2 390.487 -0.872 20 0 GBADLO C[C@H]1COCCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349487346 637487280 /nfs/dbraw/zinc/48/72/80/637487280.db2.gz CGMFSECKPLOHLO-CYBMUJFWSA-N 1 2 377.488 -0.067 20 0 GBADLO C[C@@H]1COCCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349487348 637487473 /nfs/dbraw/zinc/48/74/73/637487473.db2.gz CGMFSECKPLOHLO-ZDUSSCGKSA-N 1 2 377.488 -0.067 20 0 GBADLO C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3ccon3)C[C@@H]2C1 ZINC000349487544 530081774 /nfs/dbraw/zinc/08/17/74/530081774.db2.gz COOLNPLYXOMIMQ-TXEJJXNPSA-N 1 2 378.476 -0.370 20 0 GBADLO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3ccon3)C[C@@H]2C1 ZINC000349487544 530081771 /nfs/dbraw/zinc/08/17/71/530081771.db2.gz COOLNPLYXOMIMQ-TXEJJXNPSA-N 1 2 378.476 -0.370 20 0 GBADLO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349488089 530081954 /nfs/dbraw/zinc/08/19/54/530081954.db2.gz YQEPYMOXUALPKR-GFCCVEGCSA-N 1 2 394.523 -0.318 20 0 GBADLO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349488089 530081952 /nfs/dbraw/zinc/08/19/52/530081952.db2.gz YQEPYMOXUALPKR-GFCCVEGCSA-N 1 2 394.523 -0.318 20 0 GBADLO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349488089 530081951 /nfs/dbraw/zinc/08/19/51/530081951.db2.gz YQEPYMOXUALPKR-GFCCVEGCSA-N 1 2 394.523 -0.318 20 0 GBADLO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349488089 530081949 /nfs/dbraw/zinc/08/19/49/530081949.db2.gz YQEPYMOXUALPKR-GFCCVEGCSA-N 1 2 394.523 -0.318 20 0 GBADLO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349488090 530082009 /nfs/dbraw/zinc/08/20/09/530082009.db2.gz YQEPYMOXUALPKR-LBPRGKRZSA-N 1 2 394.523 -0.318 20 0 GBADLO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349488090 530082007 /nfs/dbraw/zinc/08/20/07/530082007.db2.gz YQEPYMOXUALPKR-LBPRGKRZSA-N 1 2 394.523 -0.318 20 0 GBADLO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349488090 530082006 /nfs/dbraw/zinc/08/20/06/530082006.db2.gz YQEPYMOXUALPKR-LBPRGKRZSA-N 1 2 394.523 -0.318 20 0 GBADLO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349488090 530082004 /nfs/dbraw/zinc/08/20/04/530082004.db2.gz YQEPYMOXUALPKR-LBPRGKRZSA-N 1 2 394.523 -0.318 20 0 GBADLO CCC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349488615 530082039 /nfs/dbraw/zinc/08/20/39/530082039.db2.gz FRZAARFZLWMLRY-UHFFFAOYSA-N 1 2 390.487 -0.523 20 0 GBADLO Cc1cn2c([nH+]1)CN(S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1)CC2 ZINC000349489709 530364892 /nfs/dbraw/zinc/36/48/92/530364892.db2.gz FXKFVRCJUGIPCG-UHFFFAOYSA-N 1 2 388.475 -0.108 20 0 GBADLO C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3ncccn3)C[C@@H]2C1 ZINC000349490980 530082416 /nfs/dbraw/zinc/08/24/16/530082416.db2.gz IPKHSMVNNPYZEK-BETUJISGSA-N 1 2 389.503 -0.568 20 0 GBADLO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3ncccn3)C[C@@H]2C1 ZINC000349490980 530082415 /nfs/dbraw/zinc/08/24/15/530082415.db2.gz IPKHSMVNNPYZEK-BETUJISGSA-N 1 2 389.503 -0.568 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1cc[nH+]cc1 ZINC000349491017 530082393 /nfs/dbraw/zinc/08/23/93/530082393.db2.gz IUGDAVRKCBBYNO-AEGPPILISA-N 1 2 389.499 -0.332 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1cc[nH+]cc1 ZINC000349491018 530082357 /nfs/dbraw/zinc/08/23/57/530082357.db2.gz IUGDAVRKCBBYNO-CFVMTHIKSA-N 1 2 389.499 -0.332 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1cc[nH+]cc1 ZINC000349491020 530082545 /nfs/dbraw/zinc/08/25/45/530082545.db2.gz IUGDAVRKCBBYNO-NWANDNLSSA-N 1 2 389.499 -0.332 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1cc[nH+]cc1 ZINC000349491022 530082400 /nfs/dbraw/zinc/08/24/00/530082400.db2.gz IUGDAVRKCBBYNO-QEJZJMRPSA-N 1 2 389.499 -0.332 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H](O)C2(CC2)C1)Nc1cc[nH+]cc1 ZINC000349491939 530082470 /nfs/dbraw/zinc/08/24/70/530082470.db2.gz JVMCMKWSADDPFL-CYBMUJFWSA-N 1 2 375.472 -0.578 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@H](O)C2(CC2)C1)Nc1cc[nH+]cc1 ZINC000349491940 530082374 /nfs/dbraw/zinc/08/23/74/530082374.db2.gz JVMCMKWSADDPFL-ZDUSSCGKSA-N 1 2 375.472 -0.578 20 0 GBADLO C[NH+](C)C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(F)cn2)C1 ZINC000349493255 530334813 /nfs/dbraw/zinc/33/48/13/530334813.db2.gz AEKXLLOAZJHMNF-UHFFFAOYSA-N 1 2 380.467 -0.072 20 0 GBADLO C[C@@]1(CO)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349493571 530334911 /nfs/dbraw/zinc/33/49/11/530334911.db2.gz MTKKRXSBNLLWIJ-AWEZNQCLSA-N 1 2 377.488 -0.188 20 0 GBADLO C[C@]1(CO)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349493572 530334734 /nfs/dbraw/zinc/33/47/34/530334734.db2.gz MTKKRXSBNLLWIJ-CQSZACIVSA-N 1 2 377.488 -0.188 20 0 GBADLO C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)NCC(F)(F)F)C[C@@H]2C1 ZINC000349493606 530082961 /nfs/dbraw/zinc/08/29/61/530082961.db2.gz NABWLEMYWGVPJZ-PHIMTYICSA-N 1 2 393.453 -0.319 20 0 GBADLO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)NCC(F)(F)F)C[C@@H]2C1 ZINC000349493606 530082959 /nfs/dbraw/zinc/08/29/59/530082959.db2.gz NABWLEMYWGVPJZ-PHIMTYICSA-N 1 2 393.453 -0.319 20 0 GBADLO Cc1noc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)c1C ZINC000349493931 530082995 /nfs/dbraw/zinc/08/29/95/530082995.db2.gz BJOTUHLUVBZIKG-UHFFFAOYSA-N 1 2 380.492 -0.001 20 0 GBADLO C[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C(C)(C)C1 ZINC000349494019 530082907 /nfs/dbraw/zinc/08/29/07/530082907.db2.gz CCBINCPTPYEEBZ-UHFFFAOYSA-N 1 2 379.508 -0.103 20 0 GBADLO C[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C(C)(C)C1 ZINC000349494019 530082905 /nfs/dbraw/zinc/08/29/05/530082905.db2.gz CCBINCPTPYEEBZ-UHFFFAOYSA-N 1 2 379.508 -0.103 20 0 GBADLO Cc1onc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)c1C ZINC000349494506 530082759 /nfs/dbraw/zinc/08/27/59/530082759.db2.gz CUBBLGCSLURTPU-UHFFFAOYSA-N 1 2 380.492 -0.001 20 0 GBADLO CCn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)cn1 ZINC000349495267 530335167 /nfs/dbraw/zinc/33/51/67/530335167.db2.gz DXNZIBUIBPLCAB-UHFFFAOYSA-N 1 2 379.508 -0.390 20 0 GBADLO Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)n1 ZINC000349495860 530083425 /nfs/dbraw/zinc/08/34/25/530083425.db2.gz GAXGYZZDIUKPTB-UHFFFAOYSA-N 1 2 377.492 -0.508 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnn2C)C[C@H](C)[N@@H+]1C ZINC000349496208 530365277 /nfs/dbraw/zinc/36/52/77/530365277.db2.gz AUWPHZZMGPGXFF-BETUJISGSA-N 1 2 393.535 -0.094 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnn2C)C[C@H](C)[N@H+]1C ZINC000349496208 530365275 /nfs/dbraw/zinc/36/52/75/530365275.db2.gz AUWPHZZMGPGXFF-BETUJISGSA-N 1 2 393.535 -0.094 20 0 GBADLO C[NH+](C)C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2F)C1 ZINC000349496246 530083334 /nfs/dbraw/zinc/08/33/34/530083334.db2.gz GQIWRINMCSWXJZ-UHFFFAOYSA-N 1 2 380.467 -0.072 20 0 GBADLO Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)c1C ZINC000349496315 530083132 /nfs/dbraw/zinc/08/31/32/530083132.db2.gz GYPATGDHEDFYQP-UHFFFAOYSA-N 1 2 379.508 -0.266 20 0 GBADLO Cc1n[nH]c(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)c1C ZINC000349496315 530083130 /nfs/dbraw/zinc/08/31/30/530083130.db2.gz GYPATGDHEDFYQP-UHFFFAOYSA-N 1 2 379.508 -0.266 20 0 GBADLO Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000349496820 530365370 /nfs/dbraw/zinc/36/53/70/530365370.db2.gz HDDMKVWZTOVWQP-UHFFFAOYSA-N 1 2 388.475 -0.406 20 0 GBADLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349497169 530335587 /nfs/dbraw/zinc/33/55/87/530335587.db2.gz NFLVGYHVLATOGD-GFCCVEGCSA-N 1 2 394.523 -0.318 20 0 GBADLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349497169 530335586 /nfs/dbraw/zinc/33/55/86/530335586.db2.gz NFLVGYHVLATOGD-GFCCVEGCSA-N 1 2 394.523 -0.318 20 0 GBADLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349497171 530335575 /nfs/dbraw/zinc/33/55/75/530335575.db2.gz NFLVGYHVLATOGD-LBPRGKRZSA-N 1 2 394.523 -0.318 20 0 GBADLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349497171 530335573 /nfs/dbraw/zinc/33/55/73/530335573.db2.gz NFLVGYHVLATOGD-LBPRGKRZSA-N 1 2 394.523 -0.318 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCn2ncnc2C1)Nc1cc[nH+]cc1 ZINC000349497591 530083869 /nfs/dbraw/zinc/08/38/69/530083869.db2.gz IKNPYBTUYJUMKN-UHFFFAOYSA-N 1 2 386.459 -0.928 20 0 GBADLO CC(C)n1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)n1 ZINC000349497600 530365191 /nfs/dbraw/zinc/36/51/91/530365191.db2.gz INFUKWTVEBFKHT-UHFFFAOYSA-N 1 2 394.523 -0.434 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1)Nc1nnc[nH]1 ZINC000349497831 530083806 /nfs/dbraw/zinc/08/38/06/530083806.db2.gz BXNDUCZBIPTCSR-UHFFFAOYSA-N 1 2 392.507 -0.564 20 0 GBADLO C[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C(C)(C)C1 ZINC000349498528 530083794 /nfs/dbraw/zinc/08/37/94/530083794.db2.gz JKJUBPVBZSJCMO-UHFFFAOYSA-N 1 2 391.519 -0.036 20 0 GBADLO C[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C(C)(C)C1 ZINC000349498528 530083791 /nfs/dbraw/zinc/08/37/91/530083791.db2.gz JKJUBPVBZSJCMO-UHFFFAOYSA-N 1 2 391.519 -0.036 20 0 GBADLO C[C@@H](O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349498959 530365356 /nfs/dbraw/zinc/36/53/56/530365356.db2.gz JWOIXXPVOPYRRL-CHWSQXEVSA-N 1 2 377.488 -0.332 20 0 GBADLO C[C@@H](O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349498960 530365264 /nfs/dbraw/zinc/36/52/64/530365264.db2.gz JWOIXXPVOPYRRL-OLZOCXBDSA-N 1 2 377.488 -0.332 20 0 GBADLO C[C@H](O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349498961 530365450 /nfs/dbraw/zinc/36/54/50/530365450.db2.gz JWOIXXPVOPYRRL-QWHCGFSZSA-N 1 2 377.488 -0.332 20 0 GBADLO C[C@H](O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349498962 530365388 /nfs/dbraw/zinc/36/53/88/530365388.db2.gz JWOIXXPVOPYRRL-STQMWFEESA-N 1 2 377.488 -0.332 20 0 GBADLO CSc1n[nH]c(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)n1 ZINC000349498964 530083546 /nfs/dbraw/zinc/08/35/46/530083546.db2.gz JWYSJHHLOUHICS-UHFFFAOYSA-N 1 2 398.536 -0.766 20 0 GBADLO CN(CC1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349499215 530084186 /nfs/dbraw/zinc/08/41/86/530084186.db2.gz RROILYBWZMRDFZ-UHFFFAOYSA-N 1 2 377.488 -0.332 20 0 GBADLO CCc1ncc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)cn1 ZINC000349499356 530335672 /nfs/dbraw/zinc/33/56/72/530335672.db2.gz KDLXEGNBXCLPDG-UHFFFAOYSA-N 1 2 391.519 -0.254 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)C[C@H]1C ZINC000349499688 530365284 /nfs/dbraw/zinc/36/52/84/530365284.db2.gz FXGIZYYTOQFOQF-GFCCVEGCSA-N 1 2 394.523 -0.697 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)C[C@H]1C ZINC000349499688 530365283 /nfs/dbraw/zinc/36/52/83/530365283.db2.gz FXGIZYYTOQFOQF-GFCCVEGCSA-N 1 2 394.523 -0.697 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)C[C@@H]1C ZINC000349499689 530365238 /nfs/dbraw/zinc/36/52/38/530365238.db2.gz FXGIZYYTOQFOQF-LBPRGKRZSA-N 1 2 394.523 -0.697 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)C[C@@H]1C ZINC000349499689 530365236 /nfs/dbraw/zinc/36/52/36/530365236.db2.gz FXGIZYYTOQFOQF-LBPRGKRZSA-N 1 2 394.523 -0.697 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)C[C@@H]1[NH+](C)C ZINC000349499858 530084219 /nfs/dbraw/zinc/08/42/19/530084219.db2.gz SBBYWGZBVBCAQO-NEPJUHHUSA-N 1 2 394.523 -0.841 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)C[C@H]1[NH+](C)C ZINC000349499859 530083921 /nfs/dbraw/zinc/08/39/21/530083921.db2.gz SBBYWGZBVBCAQO-NWDGAFQWSA-N 1 2 394.523 -0.841 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)C[C@@H]1[NH+](C)C ZINC000349499860 530084275 /nfs/dbraw/zinc/08/42/75/530084275.db2.gz SBBYWGZBVBCAQO-RYUDHWBXSA-N 1 2 394.523 -0.841 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)C[C@H]1[NH+](C)C ZINC000349499861 530084171 /nfs/dbraw/zinc/08/41/71/530084171.db2.gz SBBYWGZBVBCAQO-VXGBXAGGSA-N 1 2 394.523 -0.841 20 0 GBADLO C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3nncs3)C[C@@H]2C1 ZINC000349499891 530084297 /nfs/dbraw/zinc/08/42/97/530084297.db2.gz SDVRONORHLYUDN-PHIMTYICSA-N 1 2 395.532 -0.507 20 0 GBADLO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3nncs3)C[C@@H]2C1 ZINC000349499891 530084296 /nfs/dbraw/zinc/08/42/96/530084296.db2.gz SDVRONORHLYUDN-PHIMTYICSA-N 1 2 395.532 -0.507 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@H](C)[N@@H+]1C ZINC000349500473 530084122 /nfs/dbraw/zinc/08/41/22/530084122.db2.gz DVHDQXATSGLTBR-PHIMTYICSA-N 1 2 380.496 -0.709 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@H](C)[N@H+]1C ZINC000349500473 530084120 /nfs/dbraw/zinc/08/41/20/530084120.db2.gz DVHDQXATSGLTBR-PHIMTYICSA-N 1 2 380.496 -0.709 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[C@H]1[NH+](C)C ZINC000349500549 530083959 /nfs/dbraw/zinc/08/39/59/530083959.db2.gz SLSIPXSOWCQPSS-GHMZBOCLSA-N 1 2 380.496 -0.852 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@H]1[NH+](C)C ZINC000349500549 530083957 /nfs/dbraw/zinc/08/39/57/530083957.db2.gz SLSIPXSOWCQPSS-GHMZBOCLSA-N 1 2 380.496 -0.852 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[C@@H]1[NH+](C)C ZINC000349500550 530084304 /nfs/dbraw/zinc/08/43/04/530084304.db2.gz SLSIPXSOWCQPSS-MNOVXSKESA-N 1 2 380.496 -0.852 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@@H]1[NH+](C)C ZINC000349500550 530084302 /nfs/dbraw/zinc/08/43/02/530084302.db2.gz SLSIPXSOWCQPSS-MNOVXSKESA-N 1 2 380.496 -0.852 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[C@@H]1[NH+](C)C ZINC000349500551 530084159 /nfs/dbraw/zinc/08/41/59/530084159.db2.gz SLSIPXSOWCQPSS-QWRGUYRKSA-N 1 2 380.496 -0.852 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@@H]1[NH+](C)C ZINC000349500551 530084157 /nfs/dbraw/zinc/08/41/57/530084157.db2.gz SLSIPXSOWCQPSS-QWRGUYRKSA-N 1 2 380.496 -0.852 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[C@H]1[NH+](C)C ZINC000349500552 530083989 /nfs/dbraw/zinc/08/39/89/530083989.db2.gz SLSIPXSOWCQPSS-WDEREUQCSA-N 1 2 380.496 -0.852 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@H]1[NH+](C)C ZINC000349500552 530083987 /nfs/dbraw/zinc/08/39/87/530083987.db2.gz SLSIPXSOWCQPSS-WDEREUQCSA-N 1 2 380.496 -0.852 20 0 GBADLO Cc1conc1NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000349500600 530084262 /nfs/dbraw/zinc/08/42/62/530084262.db2.gz SUCPKTOPGGFDBJ-BETUJISGSA-N 1 2 392.503 -0.062 20 0 GBADLO Cc1conc1NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000349500600 530084261 /nfs/dbraw/zinc/08/42/61/530084261.db2.gz SUCPKTOPGGFDBJ-BETUJISGSA-N 1 2 392.503 -0.062 20 0 GBADLO CC1(C)CNC(=O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349500601 530084198 /nfs/dbraw/zinc/08/41/98/530084198.db2.gz SUDNIRJLWKDUGS-UHFFFAOYSA-N 1 2 390.487 -0.825 20 0 GBADLO COC[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349500890 530084146 /nfs/dbraw/zinc/08/41/46/530084146.db2.gz HIOXPEXNUZVKQI-CYBMUJFWSA-N 1 2 377.488 -0.067 20 0 GBADLO COC[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349500891 530084207 /nfs/dbraw/zinc/08/42/07/530084207.db2.gz HIOXPEXNUZVKQI-ZDUSSCGKSA-N 1 2 377.488 -0.067 20 0 GBADLO COc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)nc1 ZINC000349501292 530084685 /nfs/dbraw/zinc/08/46/85/530084685.db2.gz MNYQVHDLCPTKNX-UHFFFAOYSA-N 1 2 393.491 -0.807 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)C[C@H]1C ZINC000349501872 530365813 /nfs/dbraw/zinc/36/58/13/530365813.db2.gz ITJAIFVPPFKOPW-CYBMUJFWSA-N 1 2 393.535 -0.092 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)C[C@H]1C ZINC000349501872 530365812 /nfs/dbraw/zinc/36/58/12/530365812.db2.gz ITJAIFVPPFKOPW-CYBMUJFWSA-N 1 2 393.535 -0.092 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)C[C@@H]1C ZINC000349501875 530365653 /nfs/dbraw/zinc/36/56/53/530365653.db2.gz ITJAIFVPPFKOPW-ZDUSSCGKSA-N 1 2 393.535 -0.092 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)C[C@@H]1C ZINC000349501875 530365651 /nfs/dbraw/zinc/36/56/51/530365651.db2.gz ITJAIFVPPFKOPW-ZDUSSCGKSA-N 1 2 393.535 -0.092 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)C[C@H](C)[N@@H+]1C ZINC000349502309 530335920 /nfs/dbraw/zinc/33/59/20/530335920.db2.gz GOQPQLTXCHIYAF-BETUJISGSA-N 1 2 393.535 -0.094 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)C[C@H](C)[N@H+]1C ZINC000349502309 530335918 /nfs/dbraw/zinc/33/59/18/530335918.db2.gz GOQPQLTXCHIYAF-BETUJISGSA-N 1 2 393.535 -0.094 20 0 GBADLO C[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)C(C)(C)C1 ZINC000349502496 530084411 /nfs/dbraw/zinc/08/44/11/530084411.db2.gz OEYLULYNNUEEKI-UHFFFAOYSA-N 1 2 391.519 -0.036 20 0 GBADLO C[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)C(C)(C)C1 ZINC000349502496 530084409 /nfs/dbraw/zinc/08/44/09/530084409.db2.gz OEYLULYNNUEEKI-UHFFFAOYSA-N 1 2 391.519 -0.036 20 0 GBADLO Cn1nccc1NS(=O)(=O)CCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000349502522 530084472 /nfs/dbraw/zinc/08/44/72/530084472.db2.gz OHOWGKZZMAMMBZ-UHFFFAOYSA-N 1 2 388.475 -0.406 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1)Nc1nncs1 ZINC000349502602 530336075 /nfs/dbraw/zinc/33/60/75/530336075.db2.gz JGUMCNXXEMJJPA-LLVKDONJSA-N 1 2 395.532 -0.220 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Nc1nncs1 ZINC000349502602 530336074 /nfs/dbraw/zinc/33/60/74/530336074.db2.gz JGUMCNXXEMJJPA-LLVKDONJSA-N 1 2 395.532 -0.220 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1)Nc1nncs1 ZINC000349502603 530335941 /nfs/dbraw/zinc/33/59/41/530335941.db2.gz JGUMCNXXEMJJPA-NSHDSACASA-N 1 2 395.532 -0.220 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1)Nc1nncs1 ZINC000349502603 530335940 /nfs/dbraw/zinc/33/59/40/530335940.db2.gz JGUMCNXXEMJJPA-NSHDSACASA-N 1 2 395.532 -0.220 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnn2C)C[C@H]1C ZINC000349502632 530365670 /nfs/dbraw/zinc/36/56/70/530365670.db2.gz JMLKFIHZXSNXEA-CYBMUJFWSA-N 1 2 393.535 -0.092 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnn2C)C[C@H]1C ZINC000349502632 530365669 /nfs/dbraw/zinc/36/56/69/530365669.db2.gz JMLKFIHZXSNXEA-CYBMUJFWSA-N 1 2 393.535 -0.092 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnn2C)C[C@@H]1C ZINC000349502633 530365771 /nfs/dbraw/zinc/36/57/71/530365771.db2.gz JMLKFIHZXSNXEA-ZDUSSCGKSA-N 1 2 393.535 -0.092 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnn2C)C[C@@H]1C ZINC000349502633 530365770 /nfs/dbraw/zinc/36/57/70/530365770.db2.gz JMLKFIHZXSNXEA-ZDUSSCGKSA-N 1 2 393.535 -0.092 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C[C@H]1C ZINC000349502643 530365863 /nfs/dbraw/zinc/36/58/63/530365863.db2.gz JOCUEUKYQKRJKO-GFCCVEGCSA-N 1 2 379.508 -0.103 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C[C@H]1C ZINC000349502643 530365862 /nfs/dbraw/zinc/36/58/62/530365862.db2.gz JOCUEUKYQKRJKO-GFCCVEGCSA-N 1 2 379.508 -0.103 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C[C@@H]1C ZINC000349502644 530365707 /nfs/dbraw/zinc/36/57/07/530365707.db2.gz JOCUEUKYQKRJKO-LBPRGKRZSA-N 1 2 379.508 -0.103 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C[C@@H]1C ZINC000349502644 530365706 /nfs/dbraw/zinc/36/57/06/530365706.db2.gz JOCUEUKYQKRJKO-LBPRGKRZSA-N 1 2 379.508 -0.103 20 0 GBADLO Cc1ncc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)cn1 ZINC000349502718 530084417 /nfs/dbraw/zinc/08/44/17/530084417.db2.gz ONNQRLFBJFQXDY-UHFFFAOYSA-N 1 2 377.492 -0.508 20 0 GBADLO C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)[C@@H]1CO ZINC000349503439 530335869 /nfs/dbraw/zinc/33/58/69/530335869.db2.gz UZBJUZNDFFZCIW-GXTWGEPZSA-N 1 2 377.488 -0.332 20 0 GBADLO C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)[C@H]1CO ZINC000349503440 530335955 /nfs/dbraw/zinc/33/59/55/530335955.db2.gz UZBJUZNDFFZCIW-JSGCOSHPSA-N 1 2 377.488 -0.332 20 0 GBADLO C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)[C@H]1CO ZINC000349503441 530336079 /nfs/dbraw/zinc/33/60/79/530336079.db2.gz UZBJUZNDFFZCIW-OCCSQVGLSA-N 1 2 377.488 -0.332 20 0 GBADLO C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)[C@@H]1CO ZINC000349503442 530336090 /nfs/dbraw/zinc/33/60/90/530336090.db2.gz UZBJUZNDFFZCIW-TZMCWYRMSA-N 1 2 377.488 -0.332 20 0 GBADLO Cc1nnc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)s1 ZINC000349503610 530085021 /nfs/dbraw/zinc/08/50/21/530085021.db2.gz PFXCBNWLJRMKTD-UHFFFAOYSA-N 1 2 383.521 -0.446 20 0 GBADLO CSc1c[nH]nc1NS(=O)(=O)CCCS(=O)(=O)N1CC([NH+](C)C)C1 ZINC000349504082 530085164 /nfs/dbraw/zinc/08/51/64/530085164.db2.gz QCSHBMZMUSMNRY-UHFFFAOYSA-N 1 2 397.548 -0.161 20 0 GBADLO C[NH+](C)C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cncc(F)c2)C1 ZINC000349504132 530336033 /nfs/dbraw/zinc/33/60/33/530336033.db2.gz QLGQDIVCTSTBSX-UHFFFAOYSA-N 1 2 380.467 -0.072 20 0 GBADLO CCc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)c1C ZINC000349504731 530084909 /nfs/dbraw/zinc/08/49/09/530084909.db2.gz RFGVGEHQDRHJOS-UHFFFAOYSA-N 1 2 393.535 -0.012 20 0 GBADLO CCc1n[nH]c(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)c1C ZINC000349504731 530084908 /nfs/dbraw/zinc/08/49/08/530084908.db2.gz RFGVGEHQDRHJOS-UHFFFAOYSA-N 1 2 393.535 -0.012 20 0 GBADLO C[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C(C)(C)C1 ZINC000349505180 530336234 /nfs/dbraw/zinc/33/62/34/530336234.db2.gz RNDPPYUCKGESFM-UHFFFAOYSA-N 1 2 380.496 -0.708 20 0 GBADLO C[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C(C)(C)C1 ZINC000349505180 530336232 /nfs/dbraw/zinc/33/62/32/530336232.db2.gz RNDPPYUCKGESFM-UHFFFAOYSA-N 1 2 380.496 -0.708 20 0 GBADLO C[C@@H]1C(=O)N(C)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349505526 530366112 /nfs/dbraw/zinc/36/61/12/530366112.db2.gz WKYBXLJTZBRPLY-LLVKDONJSA-N 1 2 376.460 -0.915 20 0 GBADLO C[C@H]1C(=O)N(C)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349505527 530366167 /nfs/dbraw/zinc/36/61/67/530366167.db2.gz WKYBXLJTZBRPLY-NSHDSACASA-N 1 2 376.460 -0.915 20 0 GBADLO Cc1cc(C)nc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)n1 ZINC000349505767 530085435 /nfs/dbraw/zinc/08/54/35/530085435.db2.gz SCOUEUMZJSJYBK-UHFFFAOYSA-N 1 2 391.519 -0.199 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N(C1CC1)C1COC1)Nc1cc[nH+]cc1 ZINC000349505839 530085296 /nfs/dbraw/zinc/08/52/96/530085296.db2.gz SZHRASUGOHLBGZ-UHFFFAOYSA-N 1 2 375.472 -0.172 20 0 GBADLO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)CCCS(=O)(=O)Nc3nc[nH]n3)C2)C1 ZINC000349505854 530085328 /nfs/dbraw/zinc/08/53/28/530085328.db2.gz SNMIRKFMSKNPBU-CYBMUJFWSA-N 1 2 392.507 -0.706 20 0 GBADLO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)CCCS(=O)(=O)Nc3nc[nH]n3)C2)C1 ZINC000349505854 530085327 /nfs/dbraw/zinc/08/53/27/530085327.db2.gz SNMIRKFMSKNPBU-CYBMUJFWSA-N 1 2 392.507 -0.706 20 0 GBADLO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)CCCS(=O)(=O)Nc3nnc[nH]3)C2)C1 ZINC000349505854 530085325 /nfs/dbraw/zinc/08/53/25/530085325.db2.gz SNMIRKFMSKNPBU-CYBMUJFWSA-N 1 2 392.507 -0.706 20 0 GBADLO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)CCCS(=O)(=O)Nc3nnc[nH]3)C2)C1 ZINC000349505854 530085324 /nfs/dbraw/zinc/08/53/24/530085324.db2.gz SNMIRKFMSKNPBU-CYBMUJFWSA-N 1 2 392.507 -0.706 20 0 GBADLO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)Nc3nc[nH]n3)C2)C1 ZINC000349505855 530085515 /nfs/dbraw/zinc/08/55/15/530085515.db2.gz SNMIRKFMSKNPBU-ZDUSSCGKSA-N 1 2 392.507 -0.706 20 0 GBADLO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)Nc3nc[nH]n3)C2)C1 ZINC000349505855 530085513 /nfs/dbraw/zinc/08/55/13/530085513.db2.gz SNMIRKFMSKNPBU-ZDUSSCGKSA-N 1 2 392.507 -0.706 20 0 GBADLO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)Nc3nnc[nH]3)C2)C1 ZINC000349505855 530085512 /nfs/dbraw/zinc/08/55/12/530085512.db2.gz SNMIRKFMSKNPBU-ZDUSSCGKSA-N 1 2 392.507 -0.706 20 0 GBADLO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)Nc3nnc[nH]3)C2)C1 ZINC000349505855 530085511 /nfs/dbraw/zinc/08/55/11/530085511.db2.gz SNMIRKFMSKNPBU-ZDUSSCGKSA-N 1 2 392.507 -0.706 20 0 GBADLO CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349506112 530366018 /nfs/dbraw/zinc/36/60/18/530366018.db2.gz OURMZECALGLOQP-ZDUSSCGKSA-N 1 2 390.487 -0.825 20 0 GBADLO Cc1n[nH]c(C)c1NS(=O)(=O)CCCS(=O)(=O)N1CC([NH+](C)C)C1 ZINC000349506353 530085558 /nfs/dbraw/zinc/08/55/58/530085558.db2.gz SZYUATTVJLUKLC-UHFFFAOYSA-N 1 2 379.508 -0.266 20 0 GBADLO C[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccncc2)C(C)(C)C1 ZINC000349506828 530085398 /nfs/dbraw/zinc/08/53/98/530085398.db2.gz UGIAVKHYQGJZKR-UHFFFAOYSA-N 1 2 390.531 -0.009 20 0 GBADLO C[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccncc2)C(C)(C)C1 ZINC000349506828 530085396 /nfs/dbraw/zinc/08/53/96/530085396.db2.gz UGIAVKHYQGJZKR-UHFFFAOYSA-N 1 2 390.531 -0.009 20 0 GBADLO C[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)NCC(F)F)C(C)(C)C1 ZINC000349506848 530085407 /nfs/dbraw/zinc/08/54/07/530085407.db2.gz ULKFVNWGJXAODS-UHFFFAOYSA-N 1 2 377.479 -0.083 20 0 GBADLO C[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)NCC(F)F)C(C)(C)C1 ZINC000349506848 530085406 /nfs/dbraw/zinc/08/54/06/530085406.db2.gz ULKFVNWGJXAODS-UHFFFAOYSA-N 1 2 377.479 -0.083 20 0 GBADLO Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[N@@H+](C)CC2(C)C)n1 ZINC000349507292 530085547 /nfs/dbraw/zinc/08/55/47/530085547.db2.gz UWHXMIQJYBPQOO-UHFFFAOYSA-N 1 2 394.523 -0.697 20 0 GBADLO Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[N@H+](C)CC2(C)C)n1 ZINC000349507292 530085545 /nfs/dbraw/zinc/08/55/45/530085545.db2.gz UWHXMIQJYBPQOO-UHFFFAOYSA-N 1 2 394.523 -0.697 20 0 GBADLO Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[N@@H+](C)CC2(C)C)n1 ZINC000349507794 530085892 /nfs/dbraw/zinc/08/58/92/530085892.db2.gz VRBWGJZZTHFOCG-UHFFFAOYSA-N 1 2 393.535 -0.092 20 0 GBADLO Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[N@H+](C)CC2(C)C)n1 ZINC000349507794 530085891 /nfs/dbraw/zinc/08/58/91/530085891.db2.gz VRBWGJZZTHFOCG-UHFFFAOYSA-N 1 2 393.535 -0.092 20 0 GBADLO CCc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)no1 ZINC000349507834 530366254 /nfs/dbraw/zinc/36/62/54/530366254.db2.gz VYWQLBKNQZFMAG-UHFFFAOYSA-N 1 2 380.492 -0.056 20 0 GBADLO Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000349508179 530085776 /nfs/dbraw/zinc/08/57/76/530085776.db2.gz WHYXGZBETXUHSO-UHFFFAOYSA-N 1 2 388.475 -0.108 20 0 GBADLO CCc1nnc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)s1 ZINC000349508557 530085834 /nfs/dbraw/zinc/08/58/34/530085834.db2.gz WTPDHWGYURBPBC-UHFFFAOYSA-N 1 2 397.548 -0.192 20 0 GBADLO COc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)nn1 ZINC000349508568 530336836 /nfs/dbraw/zinc/33/68/36/530336836.db2.gz WWHQPTMQIMODMC-UHFFFAOYSA-N 1 2 393.491 -0.807 20 0 GBADLO COc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)c1 ZINC000349508603 530085714 /nfs/dbraw/zinc/08/57/14/530085714.db2.gz XAGIXCGGELHXKN-UHFFFAOYSA-N 1 2 392.503 -0.202 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCn2cncc2C1)Nc1cc[nH+]cc1 ZINC000349509911 530086104 /nfs/dbraw/zinc/08/61/04/530086104.db2.gz ZSJMGJIUHLAAHE-UHFFFAOYSA-N 1 2 385.471 -0.323 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C[C@H](C)[N@@H+]1C ZINC000349510181 530086282 /nfs/dbraw/zinc/08/62/82/530086282.db2.gz OSJMTILORJJSGP-TXEJJXNPSA-N 1 2 379.508 -0.104 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C[C@H](C)[N@H+]1C ZINC000349510181 530086280 /nfs/dbraw/zinc/08/62/80/530086280.db2.gz OSJMTILORJJSGP-TXEJJXNPSA-N 1 2 379.508 -0.104 20 0 GBADLO Cc1cn2c([nH+]1)CN(S(=O)(=O)CCCS(=O)(=O)NCC(F)F)CC2 ZINC000349510359 530366448 /nfs/dbraw/zinc/36/64/48/530366448.db2.gz YZWPTGDJAISKLS-UHFFFAOYSA-N 1 2 386.446 -0.088 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@H]1C ZINC000349510382 530366727 /nfs/dbraw/zinc/36/67/27/530366727.db2.gz QOOQYNBMCZJAEK-LLVKDONJSA-N 1 2 380.496 -0.708 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@H]1C ZINC000349510382 530366726 /nfs/dbraw/zinc/36/67/26/530366726.db2.gz QOOQYNBMCZJAEK-LLVKDONJSA-N 1 2 380.496 -0.708 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@@H]1C ZINC000349510384 530364482 /nfs/dbraw/zinc/36/44/82/530364482.db2.gz QOOQYNBMCZJAEK-NSHDSACASA-N 1 2 380.496 -0.708 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[C@@H]1C ZINC000349510384 530364481 /nfs/dbraw/zinc/36/44/81/530364481.db2.gz QOOQYNBMCZJAEK-NSHDSACASA-N 1 2 380.496 -0.708 20 0 GBADLO CN(C[C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349510394 530086085 /nfs/dbraw/zinc/08/60/85/530086085.db2.gz ZCOWAQFSZPOXSH-CYBMUJFWSA-N 1 2 377.488 -0.067 20 0 GBADLO CN(C[C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349510395 530086013 /nfs/dbraw/zinc/08/60/13/530086013.db2.gz ZCOWAQFSZPOXSH-ZDUSSCGKSA-N 1 2 377.488 -0.067 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C[C@H](C)[N@@H+]1C ZINC000349510708 530086098 /nfs/dbraw/zinc/08/60/98/530086098.db2.gz PPIORFRTLYLPJP-BETUJISGSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C[C@H](C)[N@H+]1C ZINC000349510708 530086097 /nfs/dbraw/zinc/08/60/97/530086097.db2.gz PPIORFRTLYLPJP-BETUJISGSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)C[C@H](C)[N@@H+]1C ZINC000349511108 530336640 /nfs/dbraw/zinc/33/66/40/530336640.db2.gz PVSFEAHUUAQNNI-BETUJISGSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)C[C@H](C)[N@H+]1C ZINC000349511108 530336638 /nfs/dbraw/zinc/33/66/38/530336638.db2.gz PVSFEAHUUAQNNI-BETUJISGSA-N 1 2 391.519 -0.037 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NCC(F)F)C[C@H](C)[N@@H+]1C ZINC000349511179 530336589 /nfs/dbraw/zinc/33/65/89/530336589.db2.gz QEVYBIZYEKXHTG-PHIMTYICSA-N 1 2 377.479 -0.085 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NCC(F)F)C[C@H](C)[N@H+]1C ZINC000349511179 530336587 /nfs/dbraw/zinc/33/65/87/530336587.db2.gz QEVYBIZYEKXHTG-PHIMTYICSA-N 1 2 377.479 -0.085 20 0 GBADLO C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349511631 530365732 /nfs/dbraw/zinc/36/57/32/530365732.db2.gz STPXVOMZRFSWGG-GFCCVEGCSA-N 1 2 390.487 -0.825 20 0 GBADLO C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349511632 530366275 /nfs/dbraw/zinc/36/62/75/530366275.db2.gz STPXVOMZRFSWGG-LBPRGKRZSA-N 1 2 390.487 -0.825 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@H]1C ZINC000349512222 530366457 /nfs/dbraw/zinc/36/64/57/530366457.db2.gz VFWCABKKDOVDQU-AWEZNQCLSA-N 1 2 390.531 -0.009 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@H]1C ZINC000349512222 530366454 /nfs/dbraw/zinc/36/64/54/530366454.db2.gz VFWCABKKDOVDQU-AWEZNQCLSA-N 1 2 390.531 -0.009 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H]1C ZINC000349512224 530366565 /nfs/dbraw/zinc/36/65/65/530366565.db2.gz VFWCABKKDOVDQU-CQSZACIVSA-N 1 2 390.531 -0.009 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H]1C ZINC000349512224 530366563 /nfs/dbraw/zinc/36/65/63/530366563.db2.gz VFWCABKKDOVDQU-CQSZACIVSA-N 1 2 390.531 -0.009 20 0 GBADLO C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349513322 530366420 /nfs/dbraw/zinc/36/64/20/530366420.db2.gz XDXMTZSGMVQIJI-GFCCVEGCSA-N 1 2 390.487 -0.872 20 0 GBADLO C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349513325 530366582 /nfs/dbraw/zinc/36/65/82/530366582.db2.gz XDXMTZSGMVQIJI-LBPRGKRZSA-N 1 2 390.487 -0.872 20 0 GBADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000349513331 530086053 /nfs/dbraw/zinc/08/60/53/530086053.db2.gz XEURMQHOQSMSFQ-GFCCVEGCSA-N 1 2 392.507 -0.943 20 0 GBADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000349513331 530086049 /nfs/dbraw/zinc/08/60/49/530086049.db2.gz XEURMQHOQSMSFQ-GFCCVEGCSA-N 1 2 392.507 -0.943 20 0 GBADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000349513333 530086178 /nfs/dbraw/zinc/08/61/78/530086178.db2.gz XEURMQHOQSMSFQ-LBPRGKRZSA-N 1 2 392.507 -0.943 20 0 GBADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000349513333 530086177 /nfs/dbraw/zinc/08/61/77/530086177.db2.gz XEURMQHOQSMSFQ-LBPRGKRZSA-N 1 2 392.507 -0.943 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)C[C@H](C)[N@@H+]1C ZINC000349513445 530086273 /nfs/dbraw/zinc/08/62/73/530086273.db2.gz UGPIRPSSGZGVIE-TXEJJXNPSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)C[C@H](C)[N@H+]1C ZINC000349513445 530086272 /nfs/dbraw/zinc/08/62/72/530086272.db2.gz UGPIRPSSGZGVIE-TXEJJXNPSA-N 1 2 394.523 -0.699 20 0 GBADLO CC(C)C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349513984 530336987 /nfs/dbraw/zinc/33/69/87/530336987.db2.gz CPJZWJFBWNPUQE-UHFFFAOYSA-N 1 2 394.523 -0.460 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C[C@H]1C ZINC000349514600 530366592 /nfs/dbraw/zinc/36/65/92/530366592.db2.gz ZZIJYBDDDBIUHI-CYBMUJFWSA-N 1 2 391.519 -0.036 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C[C@H]1C ZINC000349514600 530366590 /nfs/dbraw/zinc/36/65/90/530366590.db2.gz ZZIJYBDDDBIUHI-CYBMUJFWSA-N 1 2 391.519 -0.036 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C[C@H]1C ZINC000349514600 530366589 /nfs/dbraw/zinc/36/65/89/530366589.db2.gz ZZIJYBDDDBIUHI-CYBMUJFWSA-N 1 2 391.519 -0.036 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C[C@@H]1C ZINC000349514602 530366429 /nfs/dbraw/zinc/36/64/29/530366429.db2.gz ZZIJYBDDDBIUHI-ZDUSSCGKSA-N 1 2 391.519 -0.036 20 0 GBADLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C[C@@H]1C ZINC000349514602 530366428 /nfs/dbraw/zinc/36/64/28/530366428.db2.gz ZZIJYBDDDBIUHI-ZDUSSCGKSA-N 1 2 391.519 -0.036 20 0 GBADLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C[C@@H]1C ZINC000349514602 530366425 /nfs/dbraw/zinc/36/64/25/530366425.db2.gz ZZIJYBDDDBIUHI-ZDUSSCGKSA-N 1 2 391.519 -0.036 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H](C)N1C ZINC000349514623 530086462 /nfs/dbraw/zinc/08/64/62/530086462.db2.gz VMEJAJTYPCWHHS-OKILXGFUSA-N 1 2 390.531 -0.011 20 0 GBADLO Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000349514756 530366526 /nfs/dbraw/zinc/36/65/26/530366526.db2.gz AVJJQDYXTNHGFV-GFCCVEGCSA-N 1 2 394.523 -0.697 20 0 GBADLO Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2C[NH+](C)C)n1 ZINC000349514757 530366365 /nfs/dbraw/zinc/36/63/65/530366365.db2.gz AVJJQDYXTNHGFV-LBPRGKRZSA-N 1 2 394.523 -0.697 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[NH+](CC2CC2)CC1)Nc1nnc[nH]1 ZINC000349514845 530086488 /nfs/dbraw/zinc/08/64/88/530086488.db2.gz FTZXFWMMBNRMEE-UHFFFAOYSA-N 1 2 392.507 -0.706 20 0 GBADLO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349515196 530337131 /nfs/dbraw/zinc/33/71/31/530337131.db2.gz BEZRQGNWGJYGPW-CYBMUJFWSA-N 1 2 391.519 -0.036 20 0 GBADLO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349515197 530337239 /nfs/dbraw/zinc/33/72/39/530337239.db2.gz BEZRQGNWGJYGPW-ZDUSSCGKSA-N 1 2 391.519 -0.036 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)C[C@H](C)[N@@H+]1C ZINC000349515542 530337179 /nfs/dbraw/zinc/33/71/79/530337179.db2.gz WWHCXFNLYVUITL-TXEJJXNPSA-N 1 2 394.523 -0.699 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)C[C@H](C)[N@H+]1C ZINC000349515542 530337176 /nfs/dbraw/zinc/33/71/76/530337176.db2.gz WWHCXFNLYVUITL-TXEJJXNPSA-N 1 2 394.523 -0.699 20 0 GBADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)nn1 ZINC000349516440 530086946 /nfs/dbraw/zinc/08/69/46/530086946.db2.gz DATONCBXWDMVII-GFCCVEGCSA-N 1 2 394.523 -0.697 20 0 GBADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2C[NH+](C)C)nn1 ZINC000349516441 530087054 /nfs/dbraw/zinc/08/70/54/530087054.db2.gz DATONCBXWDMVII-LBPRGKRZSA-N 1 2 394.523 -0.697 20 0 GBADLO CC[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349517153 530087104 /nfs/dbraw/zinc/08/71/04/530087104.db2.gz FGSPYZFDXBTHLJ-CYBMUJFWSA-N 1 2 390.487 -0.825 20 0 GBADLO CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349517154 530086980 /nfs/dbraw/zinc/08/69/80/530086980.db2.gz FGSPYZFDXBTHLJ-ZDUSSCGKSA-N 1 2 390.487 -0.825 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC[C@H](O)CC1)Nc1cc[nH+]cc1 ZINC000349518343 530366822 /nfs/dbraw/zinc/36/68/22/530366822.db2.gz GVVINBQOOGGKQC-AWEZNQCLSA-N 1 2 377.488 -0.188 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H](O)CC1)Nc1cc[nH+]cc1 ZINC000349518344 530366838 /nfs/dbraw/zinc/36/68/38/530366838.db2.gz GVVINBQOOGGKQC-CQSZACIVSA-N 1 2 377.488 -0.188 20 0 GBADLO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349519610 530337471 /nfs/dbraw/zinc/33/74/71/530337471.db2.gz IUBCSDPGTUHMRA-LLVKDONJSA-N 1 2 380.496 -0.708 20 0 GBADLO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349519610 530337469 /nfs/dbraw/zinc/33/74/69/530337469.db2.gz IUBCSDPGTUHMRA-LLVKDONJSA-N 1 2 380.496 -0.708 20 0 GBADLO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349519613 530337512 /nfs/dbraw/zinc/33/75/12/530337512.db2.gz IUBCSDPGTUHMRA-NSHDSACASA-N 1 2 380.496 -0.708 20 0 GBADLO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349519613 530337510 /nfs/dbraw/zinc/33/75/10/530337510.db2.gz IUBCSDPGTUHMRA-NSHDSACASA-N 1 2 380.496 -0.708 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H]1CO ZINC000349521244 530087414 /nfs/dbraw/zinc/08/74/14/530087414.db2.gz JNQOREADIGENGV-OLZOCXBDSA-N 1 2 377.488 -0.475 20 0 GBADLO CN1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCOC2)c2ccc[nH+]c21 ZINC000349521261 530087502 /nfs/dbraw/zinc/08/75/02/530087502.db2.gz JOUNYPVIPPRSGJ-UHFFFAOYSA-N 1 2 390.487 -0.323 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Nc1nc[nH]n1 ZINC000349521813 530087359 /nfs/dbraw/zinc/08/73/59/530087359.db2.gz LXTCKWQTOAMXFM-GFCCVEGCSA-N 1 2 392.507 -0.564 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1)Nc1nnc[nH]1 ZINC000349521813 530087357 /nfs/dbraw/zinc/08/73/57/530087357.db2.gz LXTCKWQTOAMXFM-GFCCVEGCSA-N 1 2 392.507 -0.564 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1)Nc1nc[nH]n1 ZINC000349521814 530087282 /nfs/dbraw/zinc/08/72/82/530087282.db2.gz LXTCKWQTOAMXFM-LBPRGKRZSA-N 1 2 392.507 -0.564 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1)Nc1nnc[nH]1 ZINC000349521814 530087279 /nfs/dbraw/zinc/08/72/79/530087279.db2.gz LXTCKWQTOAMXFM-LBPRGKRZSA-N 1 2 392.507 -0.564 20 0 GBADLO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349522423 530087684 /nfs/dbraw/zinc/08/76/84/530087684.db2.gz NOIWRDXBNPQXRO-GFCCVEGCSA-N 1 2 394.523 -0.840 20 0 GBADLO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349522423 530087682 /nfs/dbraw/zinc/08/76/82/530087682.db2.gz NOIWRDXBNPQXRO-GFCCVEGCSA-N 1 2 394.523 -0.840 20 0 GBADLO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349522424 530087882 /nfs/dbraw/zinc/08/78/82/530087882.db2.gz NOIWRDXBNPQXRO-LBPRGKRZSA-N 1 2 394.523 -0.840 20 0 GBADLO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349522424 530087880 /nfs/dbraw/zinc/08/78/80/530087880.db2.gz NOIWRDXBNPQXRO-LBPRGKRZSA-N 1 2 394.523 -0.840 20 0 GBADLO COC(=O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349522591 530087872 /nfs/dbraw/zinc/08/78/72/530087872.db2.gz WEUHRXWWHRKUFL-GFCCVEGCSA-N 1 2 391.471 -0.540 20 0 GBADLO COC(=O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349522592 530087663 /nfs/dbraw/zinc/08/76/63/530087663.db2.gz WEUHRXWWHRKUFL-LBPRGKRZSA-N 1 2 391.471 -0.540 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1)N1CCOC1 ZINC000349523764 530087758 /nfs/dbraw/zinc/08/77/58/530087758.db2.gz MJFPTBQJOFGIRZ-AWEZNQCLSA-N 1 2 392.503 -0.313 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)N1CCOC1 ZINC000349523766 530087914 /nfs/dbraw/zinc/08/79/14/530087914.db2.gz MJFPTBQJOFGIRZ-CQSZACIVSA-N 1 2 392.503 -0.313 20 0 GBADLO CN([C@@H]1CCC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349523781 530367186 /nfs/dbraw/zinc/36/71/86/530367186.db2.gz MKDLKBADWDEINV-ZIAGYGMSSA-N 1 2 377.488 -0.190 20 0 GBADLO CNC(=O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349523913 530367215 /nfs/dbraw/zinc/36/72/15/530367215.db2.gz OURMZECALGLOQP-CYBMUJFWSA-N 1 2 390.487 -0.825 20 0 GBADLO CC1(C)C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349524653 530087939 /nfs/dbraw/zinc/08/79/39/530087939.db2.gz QGIAIHJSVSIFDQ-UHFFFAOYSA-N 1 2 390.487 -0.825 20 0 GBADLO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349525460 530088217 /nfs/dbraw/zinc/08/82/17/530088217.db2.gz RJONUDWFGCIDIX-GFCCVEGCSA-N 1 2 392.507 -0.565 20 0 GBADLO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349525460 530088216 /nfs/dbraw/zinc/08/82/16/530088216.db2.gz RJONUDWFGCIDIX-GFCCVEGCSA-N 1 2 392.507 -0.565 20 0 GBADLO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349525460 530088213 /nfs/dbraw/zinc/08/82/13/530088213.db2.gz RJONUDWFGCIDIX-GFCCVEGCSA-N 1 2 392.507 -0.565 20 0 GBADLO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349525460 530088211 /nfs/dbraw/zinc/08/82/11/530088211.db2.gz RJONUDWFGCIDIX-GFCCVEGCSA-N 1 2 392.507 -0.565 20 0 GBADLO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349525465 530088088 /nfs/dbraw/zinc/08/80/88/530088088.db2.gz RJONUDWFGCIDIX-LBPRGKRZSA-N 1 2 392.507 -0.565 20 0 GBADLO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349525465 530088087 /nfs/dbraw/zinc/08/80/87/530088087.db2.gz RJONUDWFGCIDIX-LBPRGKRZSA-N 1 2 392.507 -0.565 20 0 GBADLO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349525465 530088084 /nfs/dbraw/zinc/08/80/84/530088084.db2.gz RJONUDWFGCIDIX-LBPRGKRZSA-N 1 2 392.507 -0.565 20 0 GBADLO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349525465 530088083 /nfs/dbraw/zinc/08/80/83/530088083.db2.gz RJONUDWFGCIDIX-LBPRGKRZSA-N 1 2 392.507 -0.565 20 0 GBADLO CC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349525909 530338921 /nfs/dbraw/zinc/33/89/21/530338921.db2.gz SEVJBMWBHXWKGL-AWEZNQCLSA-N 1 2 390.487 -0.825 20 0 GBADLO CC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349525918 530338897 /nfs/dbraw/zinc/33/88/97/530338897.db2.gz SEVJBMWBHXWKGL-CQSZACIVSA-N 1 2 390.487 -0.825 20 0 GBADLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)CCCS(=O)(=O)N1CCOC1 ZINC000349526764 530333364 /nfs/dbraw/zinc/33/33/64/530333364.db2.gz PVVRFEAKJITVMU-UHFFFAOYSA-N 1 2 392.503 -0.077 20 0 GBADLO Cc1nnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)s1 ZINC000349527738 530088184 /nfs/dbraw/zinc/08/81/84/530088184.db2.gz WCRAWWKXUFBILU-LLVKDONJSA-N 1 2 397.548 -0.056 20 0 GBADLO Cc1nnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H]([NH+](C)C)C2)s1 ZINC000349527739 530087976 /nfs/dbraw/zinc/08/79/76/530087976.db2.gz WCRAWWKXUFBILU-NSHDSACASA-N 1 2 397.548 -0.056 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCN(C2CC2)CC1)Nc1cc[nH+]cc1 ZINC000349530061 530088658 /nfs/dbraw/zinc/08/86/58/530088658.db2.gz BWGSNSQNFXAUJS-UHFFFAOYSA-N 1 2 388.515 -0.255 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[NH+](C2CC2)CC1)Nc1cn[nH]c1 ZINC000349530310 530088588 /nfs/dbraw/zinc/08/85/88/530088588.db2.gz CNBIBMTYEGAQBQ-UHFFFAOYSA-N 1 2 377.492 -0.349 20 0 GBADLO CC(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)CC1 ZINC000349530838 530336003 /nfs/dbraw/zinc/33/60/03/530336003.db2.gz FMSDOWNKYSNWSA-UHFFFAOYSA-N 1 2 391.519 -0.036 20 0 GBADLO CC(C)N1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349531224 530088560 /nfs/dbraw/zinc/08/85/60/530088560.db2.gz GYFLZEWDSPZJKL-UHFFFAOYSA-N 1 2 390.531 -0.009 20 0 GBADLO CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncnn1-c1cc[nH+]cc1 ZINC000349531343 530088613 /nfs/dbraw/zinc/08/86/13/530088613.db2.gz HOFXQQJORFUJLC-UHFFFAOYSA-N 1 2 388.475 -0.503 20 0 GBADLO CN(Cc1[nH+]ccn1C)S(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1 ZINC000349531358 530088643 /nfs/dbraw/zinc/08/86/43/530088643.db2.gz HVQWNSJGOISOBR-UHFFFAOYSA-N 1 2 376.464 -0.263 20 0 GBADLO CC(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)CC1 ZINC000349531385 530336327 /nfs/dbraw/zinc/33/63/27/530336327.db2.gz ICUAIYUNCDSPKL-UHFFFAOYSA-N 1 2 379.508 -0.103 20 0 GBADLO Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000349531439 530089065 /nfs/dbraw/zinc/08/90/65/530089065.db2.gz IWKVQBWEFOZWFY-UHFFFAOYSA-N 1 2 391.519 -0.338 20 0 GBADLO CC(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)CC1 ZINC000349531493 530088968 /nfs/dbraw/zinc/08/89/68/530088968.db2.gz JPFBZTXVMLIJHR-UHFFFAOYSA-N 1 2 393.535 -0.092 20 0 GBADLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349531515 530088851 /nfs/dbraw/zinc/08/88/51/530088851.db2.gz JXUOOTCKRNSXRK-GFCCVEGCSA-N 1 2 394.523 -0.318 20 0 GBADLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349531516 530089002 /nfs/dbraw/zinc/08/90/02/530089002.db2.gz JXUOOTCKRNSXRK-LBPRGKRZSA-N 1 2 394.523 -0.318 20 0 GBADLO CC(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnn2C)CC1 ZINC000349531653 530089087 /nfs/dbraw/zinc/08/90/87/530089087.db2.gz LPYNQLSAQRQUSO-UHFFFAOYSA-N 1 2 393.535 -0.092 20 0 GBADLO Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000349531697 530089030 /nfs/dbraw/zinc/08/90/30/530089030.db2.gz MEABSPIITONNDO-UHFFFAOYSA-N 1 2 391.519 -0.040 20 0 GBADLO CC[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)CC1 ZINC000349531703 530088911 /nfs/dbraw/zinc/08/89/11/530088911.db2.gz MGUBLEPXNVJTIT-UHFFFAOYSA-N 1 2 394.523 -0.696 20 0 GBADLO CC[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)CC1 ZINC000349531703 530088910 /nfs/dbraw/zinc/08/89/10/530088910.db2.gz MGUBLEPXNVJTIT-UHFFFAOYSA-N 1 2 394.523 -0.696 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)c2cnn(C)c2)CC1 ZINC000349532137 530337048 /nfs/dbraw/zinc/33/70/48/530337048.db2.gz AHLZCBKDLXOCEB-UHFFFAOYSA-N 1 2 393.535 -0.457 20 0 GBADLO CN(CCO)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000349532185 530337078 /nfs/dbraw/zinc/33/70/78/530337078.db2.gz AMMKAZXAKVRDCJ-UHFFFAOYSA-N 1 2 392.503 -0.688 20 0 GBADLO CN(c1cccnc1)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349532217 530088904 /nfs/dbraw/zinc/08/89/04/530088904.db2.gz AQSORCLEQGLIKR-UHFFFAOYSA-N 1 2 376.504 -0.185 20 0 GBADLO CCc1n[nH]c(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)c1C ZINC000349532269 530088950 /nfs/dbraw/zinc/08/89/50/530088950.db2.gz AWYLOXLIPJTANN-UHFFFAOYSA-N 1 2 393.535 -0.010 20 0 GBADLO COc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)nn1 ZINC000349532619 530088916 /nfs/dbraw/zinc/08/89/16/530088916.db2.gz BLGFLHBQZIJVMK-UHFFFAOYSA-N 1 2 393.491 -0.806 20 0 GBADLO C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1)C(C)(F)F ZINC000349532977 530088900 /nfs/dbraw/zinc/08/89/00/530088900.db2.gz CJRBKJWZOVPGOZ-LLVKDONJSA-N 1 2 377.479 -0.083 20 0 GBADLO C[C@H](NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1)C(C)(F)F ZINC000349532978 530088995 /nfs/dbraw/zinc/08/89/95/530088995.db2.gz CJRBKJWZOVPGOZ-NSHDSACASA-N 1 2 377.479 -0.083 20 0 GBADLO CC[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)CC1 ZINC000349533164 530088943 /nfs/dbraw/zinc/08/89/43/530088943.db2.gz PTLMYILXAFFFSU-UHFFFAOYSA-N 1 2 380.496 -0.706 20 0 GBADLO CC[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)CC1 ZINC000349533164 530088942 /nfs/dbraw/zinc/08/89/42/530088942.db2.gz PTLMYILXAFFFSU-UHFFFAOYSA-N 1 2 380.496 -0.706 20 0 GBADLO CC[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349533164 530088941 /nfs/dbraw/zinc/08/89/41/530088941.db2.gz PTLMYILXAFFFSU-UHFFFAOYSA-N 1 2 380.496 -0.706 20 0 GBADLO CC[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349533164 530088940 /nfs/dbraw/zinc/08/89/40/530088940.db2.gz PTLMYILXAFFFSU-UHFFFAOYSA-N 1 2 380.496 -0.706 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(=O)[nH]c2)CC1 ZINC000349533332 530089547 /nfs/dbraw/zinc/08/95/47/530089547.db2.gz DDYWQZIFMVHFSS-UHFFFAOYSA-N 1 2 392.503 -0.114 20 0 GBADLO CN(c1nncs1)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349533356 530089431 /nfs/dbraw/zinc/08/94/31/530089431.db2.gz DIPMNVVHEPXCKF-UHFFFAOYSA-N 1 2 383.521 -0.729 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(=O)[nH]c2)CC1 ZINC000349533394 530089527 /nfs/dbraw/zinc/08/95/27/530089527.db2.gz DNNIRBGVRIKHGK-UHFFFAOYSA-N 1 2 378.476 -0.504 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)c2nncs2)CC1 ZINC000349533397 530089378 /nfs/dbraw/zinc/08/93/78/530089378.db2.gz DOPWLALEIWRARN-UHFFFAOYSA-N 1 2 397.548 -0.339 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[NH+](C2CC2)CC1)Nc1ccnnc1 ZINC000349533518 530340335 /nfs/dbraw/zinc/34/03/35/530340335.db2.gz QKWGTVABGAYKRA-UHFFFAOYSA-N 1 2 389.503 -0.282 20 0 GBADLO CC(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349533550 530089285 /nfs/dbraw/zinc/08/92/85/530089285.db2.gz QTPDWFKWPQDSQA-UHFFFAOYSA-N 1 2 380.496 -0.708 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCCn3nccc32)CC1 ZINC000349533876 530340763 /nfs/dbraw/zinc/34/07/63/530340763.db2.gz FHYNDKRKOZVOAM-UHFFFAOYSA-N 1 2 391.519 -0.610 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC[N@H+](CCO)CC1)Nc1ccon1 ZINC000349533917 530089353 /nfs/dbraw/zinc/08/93/53/530089353.db2.gz RQANZLHVPHGBCL-UHFFFAOYSA-N 1 2 396.491 -0.864 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC[N@@H+](CCO)CC1)Nc1ccon1 ZINC000349533917 530089352 /nfs/dbraw/zinc/08/93/52/530089352.db2.gz RQANZLHVPHGBCL-UHFFFAOYSA-N 1 2 396.491 -0.864 20 0 GBADLO C[C@@]1(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CCC(=O)N1 ZINC000349533973 530089369 /nfs/dbraw/zinc/08/93/69/530089369.db2.gz GTUQOVRTIBHCQL-AWEZNQCLSA-N 1 2 390.487 -0.777 20 0 GBADLO C[C@]1(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CCC(=O)N1 ZINC000349533974 530089330 /nfs/dbraw/zinc/08/93/30/530089330.db2.gz GTUQOVRTIBHCQL-CQSZACIVSA-N 1 2 390.487 -0.777 20 0 GBADLO C[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)CC1 ZINC000349534178 530340623 /nfs/dbraw/zinc/34/06/23/530340623.db2.gz FVQDDZOYSWSZRQ-UHFFFAOYSA-N 1 2 377.492 -0.424 20 0 GBADLO C[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)CC1 ZINC000349534178 530340621 /nfs/dbraw/zinc/34/06/21/530340621.db2.gz FVQDDZOYSWSZRQ-UHFFFAOYSA-N 1 2 377.492 -0.424 20 0 GBADLO CC[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)CC1 ZINC000349534400 530089393 /nfs/dbraw/zinc/08/93/93/530089393.db2.gz SNWNEFJBTFLNGY-UHFFFAOYSA-N 1 2 394.523 -0.696 20 0 GBADLO CC[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)CC1 ZINC000349534400 530089392 /nfs/dbraw/zinc/08/93/92/530089392.db2.gz SNWNEFJBTFLNGY-UHFFFAOYSA-N 1 2 394.523 -0.696 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(=O)[nH]n2)CC1 ZINC000349534446 530089479 /nfs/dbraw/zinc/08/94/79/530089479.db2.gz GTOYTFDLQIDBON-UHFFFAOYSA-N 1 2 393.491 -0.719 20 0 GBADLO CCn1nccc1NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349534453 530089376 /nfs/dbraw/zinc/08/93/76/530089376.db2.gz GUCQPFAZVYWJJR-UHFFFAOYSA-N 1 2 379.508 -0.388 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2F)CC1 ZINC000349534458 530089399 /nfs/dbraw/zinc/08/93/99/530089399.db2.gz GVFBQHLIHVGIPP-UHFFFAOYSA-N 1 2 380.467 -0.070 20 0 GBADLO Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)n1 ZINC000349534467 530089453 /nfs/dbraw/zinc/08/94/53/530089453.db2.gz GWLANIXTXQRNET-UHFFFAOYSA-N 1 2 391.519 -0.116 20 0 GBADLO Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)n1 ZINC000349534467 530089452 /nfs/dbraw/zinc/08/94/52/530089452.db2.gz GWLANIXTXQRNET-UHFFFAOYSA-N 1 2 391.519 -0.116 20 0 GBADLO C[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)NCC(F)(F)F)CC1 ZINC000349534530 530089417 /nfs/dbraw/zinc/08/94/17/530089417.db2.gz HBCAONCTEWAXKQ-UHFFFAOYSA-N 1 2 381.442 -0.175 20 0 GBADLO C[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)NCC(F)(F)F)CC1 ZINC000349534530 530089416 /nfs/dbraw/zinc/08/94/16/530089416.db2.gz HBCAONCTEWAXKQ-UHFFFAOYSA-N 1 2 381.442 -0.175 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)CC1 ZINC000349534551 530089371 /nfs/dbraw/zinc/08/93/71/530089371.db2.gz HBOQRBZRXQVMRI-UHFFFAOYSA-N 1 2 377.492 -0.424 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnn2C)CC1 ZINC000349534553 530089277 /nfs/dbraw/zinc/08/92/77/530089277.db2.gz HBSKBWZJYHUUDD-UHFFFAOYSA-N 1 2 379.508 -0.481 20 0 GBADLO CCN(c1cnn(C)c1)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349534556 530368018 /nfs/dbraw/zinc/36/80/18/530368018.db2.gz HCECAMHHMKKWEL-UHFFFAOYSA-N 1 2 393.535 -0.457 20 0 GBADLO CC(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)CC1 ZINC000349534587 530340715 /nfs/dbraw/zinc/34/07/15/530340715.db2.gz SVHVJTHCYHJPLX-UHFFFAOYSA-N 1 2 394.523 -0.697 20 0 GBADLO Cc1n[nH]c(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)c1C ZINC000349534612 530340428 /nfs/dbraw/zinc/34/04/28/530340428.db2.gz HJXCPZBYTMWAJK-UHFFFAOYSA-N 1 2 379.508 -0.264 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccncc2F)CC1 ZINC000349534621 530089851 /nfs/dbraw/zinc/08/98/51/530089851.db2.gz HMOYNLKNXCWPMW-UHFFFAOYSA-N 1 2 394.494 -0.258 20 0 GBADLO CC[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)CC1 ZINC000349534887 530089878 /nfs/dbraw/zinc/08/98/78/530089878.db2.gz USZCFJQTCWDOHY-UHFFFAOYSA-N 1 2 393.535 -0.091 20 0 GBADLO CC[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)CC1 ZINC000349534887 530089877 /nfs/dbraw/zinc/08/98/77/530089877.db2.gz USZCFJQTCWDOHY-UHFFFAOYSA-N 1 2 393.535 -0.091 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCc3ccncc32)CC1 ZINC000349534950 530089972 /nfs/dbraw/zinc/08/99/72/530089972.db2.gz HZATUQMPFACWNY-UHFFFAOYSA-N 1 2 388.515 -0.259 20 0 GBADLO Cc1nn(C)c(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)c1C ZINC000349534960 530089744 /nfs/dbraw/zinc/08/97/44/530089744.db2.gz ICUKVDLSQWLJLF-UHFFFAOYSA-N 1 2 393.535 -0.254 20 0 GBADLO COc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000349535290 530368075 /nfs/dbraw/zinc/36/80/75/530368075.db2.gz JCJRWUNWRORESE-UHFFFAOYSA-N 1 2 392.503 -0.201 20 0 GBADLO CN(c1ncccn1)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349535301 530089870 /nfs/dbraw/zinc/08/98/70/530089870.db2.gz JEEFFUOWIMQJBL-UHFFFAOYSA-N 1 2 377.492 -0.790 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)nc1 ZINC000349535318 637491357 /nfs/dbraw/zinc/49/13/57/637491357.db2.gz JIRDJRYKWKMUJU-UHFFFAOYSA-N 1 2 391.519 -0.116 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)nc1 ZINC000349535318 637491352 /nfs/dbraw/zinc/49/13/52/637491352.db2.gz JIRDJRYKWKMUJU-UHFFFAOYSA-N 1 2 391.519 -0.116 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccncc2F)CC1 ZINC000349535697 530089810 /nfs/dbraw/zinc/08/98/10/530089810.db2.gz JVGFNYGKCFAULV-UHFFFAOYSA-N 1 2 380.467 -0.648 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NCC1=CCOCC1 ZINC000349535772 530089981 /nfs/dbraw/zinc/08/99/81/530089981.db2.gz LOJWTLRETKUDBU-UHFFFAOYSA-N 1 2 375.472 -0.099 20 0 GBADLO CN(c1cccnn1)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349535915 530089858 /nfs/dbraw/zinc/08/98/58/530089858.db2.gz KIUPYUIGRXDPRO-UHFFFAOYSA-N 1 2 377.492 -0.790 20 0 GBADLO CC(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)CC1 ZINC000349536041 530089749 /nfs/dbraw/zinc/08/97/49/530089749.db2.gz XDVNXZWBARFECK-UHFFFAOYSA-N 1 2 391.519 -0.036 20 0 GBADLO CC[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)CC1 ZINC000349536055 530089889 /nfs/dbraw/zinc/08/98/89/530089889.db2.gz XEFIRCFRZNLBSS-UHFFFAOYSA-N 1 2 391.519 -0.034 20 0 GBADLO CC[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)CC1 ZINC000349536055 530089888 /nfs/dbraw/zinc/08/98/88/530089888.db2.gz XEFIRCFRZNLBSS-UHFFFAOYSA-N 1 2 391.519 -0.034 20 0 GBADLO CCn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000349536311 530340535 /nfs/dbraw/zinc/34/05/35/530340535.db2.gz KRIZUYMDGFNWJL-UHFFFAOYSA-N 1 2 379.508 -0.388 20 0 GBADLO CN(c1ncccc1F)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349536380 530090142 /nfs/dbraw/zinc/09/01/42/530090142.db2.gz LEWYLLDHLSAWJI-UHFFFAOYSA-N 1 2 394.494 -0.046 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[NH+](CCO)CC1)Nc1cccnc1 ZINC000349536768 530090355 /nfs/dbraw/zinc/09/03/55/530090355.db2.gz LOFRWBVSWTWFID-UHFFFAOYSA-N 1 2 392.503 -0.847 20 0 GBADLO CCc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC000349536790 530090344 /nfs/dbraw/zinc/09/03/44/530090344.db2.gz LRQMYXPHYZXGCA-UHFFFAOYSA-N 1 2 393.535 -0.309 20 0 GBADLO Cn1nccc1NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000349537020 530090365 /nfs/dbraw/zinc/09/03/65/530090365.db2.gz ZFZNNFXGFJCXNE-UHFFFAOYSA-N 1 2 391.519 -0.338 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349537425 530340486 /nfs/dbraw/zinc/34/04/86/530340486.db2.gz QHWIZUYQICPRLN-YPMHNXCESA-N 1 2 390.487 -0.791 20 0 GBADLO CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349537578 530090390 /nfs/dbraw/zinc/09/03/90/530090390.db2.gz FAHPHBPKRZUWMR-CHWSQXEVSA-N 1 2 377.488 -0.286 20 0 GBADLO CC1(C)[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@H]1O ZINC000349537579 530090388 /nfs/dbraw/zinc/09/03/88/530090388.db2.gz FAHPHBPKRZUWMR-OLZOCXBDSA-N 1 2 377.488 -0.286 20 0 GBADLO CC1(C)[C@H](O)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349537581 530090176 /nfs/dbraw/zinc/09/01/76/530090176.db2.gz FAHPHBPKRZUWMR-QWHCGFSZSA-N 1 2 377.488 -0.286 20 0 GBADLO CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349537582 530090348 /nfs/dbraw/zinc/09/03/48/530090348.db2.gz FAHPHBPKRZUWMR-STQMWFEESA-N 1 2 377.488 -0.286 20 0 GBADLO CN(c1ccn(C)n1)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349537608 530090223 /nfs/dbraw/zinc/09/02/23/530090223.db2.gz MKQFHFPCCNSAPG-UHFFFAOYSA-N 1 2 379.508 -0.847 20 0 GBADLO Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)nn1C ZINC000349537663 530090194 /nfs/dbraw/zinc/09/01/94/530090194.db2.gz MXHFABFLCVWKSX-UHFFFAOYSA-N 1 2 394.523 -0.777 20 0 GBADLO Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)nn1C ZINC000349537663 530090193 /nfs/dbraw/zinc/09/01/93/530090193.db2.gz MXHFABFLCVWKSX-UHFFFAOYSA-N 1 2 394.523 -0.777 20 0 GBADLO CN(c1cnccn1)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349538112 530341149 /nfs/dbraw/zinc/34/11/49/530341149.db2.gz NLXIRZAWISCDJJ-UHFFFAOYSA-N 1 2 377.492 -0.790 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)CC1 ZINC000349538131 530340900 /nfs/dbraw/zinc/34/09/00/530340900.db2.gz NSGPLAHIGMICDS-UHFFFAOYSA-N 1 2 379.508 -0.481 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)c2ccn(C)n2)CC1 ZINC000349538198 530340992 /nfs/dbraw/zinc/34/09/92/530340992.db2.gz ODNHPOZABMUQLT-UHFFFAOYSA-N 1 2 393.535 -0.457 20 0 GBADLO C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1)[C@@H]1CCOC1 ZINC000349538583 530341122 /nfs/dbraw/zinc/34/11/22/530341122.db2.gz UQJKHOPOEVDEOQ-CHWSQXEVSA-N 1 2 377.488 -0.020 20 0 GBADLO C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1)[C@H]1CCOC1 ZINC000349538584 530341151 /nfs/dbraw/zinc/34/11/51/530341151.db2.gz UQJKHOPOEVDEOQ-OLZOCXBDSA-N 1 2 377.488 -0.020 20 0 GBADLO C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1)[C@@H]1CCOC1 ZINC000349538585 530340883 /nfs/dbraw/zinc/34/08/83/530340883.db2.gz UQJKHOPOEVDEOQ-QWHCGFSZSA-N 1 2 377.488 -0.020 20 0 GBADLO C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1)[C@H]1CCOC1 ZINC000349538586 530341093 /nfs/dbraw/zinc/34/10/93/530341093.db2.gz UQJKHOPOEVDEOQ-STQMWFEESA-N 1 2 377.488 -0.020 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@@H]1CCC[C@H]1O ZINC000349538923 530090452 /nfs/dbraw/zinc/09/04/52/530090452.db2.gz VACBKLBJRRKLHP-GXTWGEPZSA-N 1 2 377.488 -0.284 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@H]1CCC[C@@H]1O ZINC000349538924 530340897 /nfs/dbraw/zinc/34/08/97/530340897.db2.gz VACBKLBJRRKLHP-OCCSQVGLSA-N 1 2 377.488 -0.284 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C)nn2C)CC1 ZINC000349539630 530367986 /nfs/dbraw/zinc/36/79/86/530367986.db2.gz QSBFOCRMOIVLED-UHFFFAOYSA-N 1 2 393.535 -0.172 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)c2ncccn2)CC1 ZINC000349539697 530090759 /nfs/dbraw/zinc/09/07/59/530090759.db2.gz RDVRLRSUDTUSKI-UHFFFAOYSA-N 1 2 391.519 -0.400 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH]nc2C)CC1 ZINC000349540151 530090556 /nfs/dbraw/zinc/09/05/56/530090556.db2.gz RZGURWHAZGXSFO-UHFFFAOYSA-N 1 2 379.508 -0.183 20 0 GBADLO CN(c1cnn(C)c1)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349540176 530090464 /nfs/dbraw/zinc/09/04/64/530090464.db2.gz SDRVOBDLRAGKDG-UHFFFAOYSA-N 1 2 379.508 -0.847 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[NH+](CCO)CC1)Nc1ccccn1 ZINC000349540194 530090420 /nfs/dbraw/zinc/09/04/20/530090420.db2.gz SKCOBOSETVXNIG-UHFFFAOYSA-N 1 2 392.503 -0.847 20 0 GBADLO CN(c1ccc(F)cn1)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349540202 530340994 /nfs/dbraw/zinc/34/09/94/530340994.db2.gz SMVGRVDUPLPAEB-UHFFFAOYSA-N 1 2 394.494 -0.046 20 0 GBADLO Cc1cc(=O)[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349540382 530090690 /nfs/dbraw/zinc/09/06/90/530090690.db2.gz SQIZUQXWLLJUIN-UHFFFAOYSA-N 1 2 392.503 -0.195 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC000349540433 530340869 /nfs/dbraw/zinc/34/08/69/530340869.db2.gz SZUQIUVBTNLKIQ-UHFFFAOYSA-N 1 2 379.508 -0.562 20 0 GBADLO CCc1ncc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000349540441 530090765 /nfs/dbraw/zinc/09/07/65/530090765.db2.gz TUDJHMMELKLTSL-UHFFFAOYSA-N 1 2 391.519 -0.252 20 0 GBADLO CSc1c[nH]nc1NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349540454 530090733 /nfs/dbraw/zinc/09/07/33/530090733.db2.gz TYCPDZXPGYGWPE-UHFFFAOYSA-N 1 2 397.548 -0.159 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)c2cccnn2)CC1 ZINC000349540469 530340968 /nfs/dbraw/zinc/34/09/68/530340968.db2.gz UBJFBEGBQSGFDN-UHFFFAOYSA-N 1 2 391.519 -0.400 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cnc(C)nc2)CC1 ZINC000349540797 530091010 /nfs/dbraw/zinc/09/10/10/530091010.db2.gz UQIGQZUBHHHNSO-UHFFFAOYSA-N 1 2 391.519 -0.116 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1cc[nH+]cc1 ZINC000349540804 530367892 /nfs/dbraw/zinc/36/78/92/530367892.db2.gz URPIBNUQAGOXJW-MCIONIFRSA-N 1 2 375.472 -0.125 20 0 GBADLO CN(c1ccccn1)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349540882 530341051 /nfs/dbraw/zinc/34/10/51/530341051.db2.gz VLVQMHCPOKHCHT-UHFFFAOYSA-N 1 2 376.504 -0.185 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cncc(F)c2)CC1 ZINC000349540888 530091037 /nfs/dbraw/zinc/09/10/37/530091037.db2.gz VNOAXMNADTUDRS-UHFFFAOYSA-N 1 2 380.467 -0.070 20 0 GBADLO CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349541228 530091064 /nfs/dbraw/zinc/09/10/64/530091064.db2.gz VNUWJJMCMVTNHV-UHFFFAOYSA-N 1 2 390.487 -0.871 20 0 GBADLO Cc1nnc(N(C)S(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)s1 ZINC000349541298 530090957 /nfs/dbraw/zinc/09/09/57/530090957.db2.gz WEZKRHXCQLGKQW-UHFFFAOYSA-N 1 2 397.548 -0.420 20 0 GBADLO CSc1n[nH]c(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)n1 ZINC000349541838 530341137 /nfs/dbraw/zinc/34/11/37/530341137.db2.gz WLWOSAHTRBOORM-UHFFFAOYSA-N 1 2 398.536 -0.764 20 0 GBADLO NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349541872 530090983 /nfs/dbraw/zinc/09/09/83/530090983.db2.gz WVGFTCJKTDXEDW-OLZOCXBDSA-N 1 2 390.487 -0.791 20 0 GBADLO Cc1ncc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000349542230 530090952 /nfs/dbraw/zinc/09/09/52/530090952.db2.gz XEAAFVROYUXSBC-UHFFFAOYSA-N 1 2 377.492 -0.506 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)c2cnccn2)CC1 ZINC000349542262 530091022 /nfs/dbraw/zinc/09/10/22/530091022.db2.gz XKVLIEAGIFQJNF-UHFFFAOYSA-N 1 2 391.519 -0.400 20 0 GBADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)ccc1=O ZINC000349542347 530341088 /nfs/dbraw/zinc/34/10/88/530341088.db2.gz XXDAINSBYZWSAJ-UHFFFAOYSA-N 1 2 392.503 -0.906 20 0 GBADLO Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)n1 ZINC000349542837 530091385 /nfs/dbraw/zinc/09/13/85/530091385.db2.gz YAHWSWRJZCDESO-UHFFFAOYSA-N 1 2 379.508 -0.481 20 0 GBADLO Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)n1 ZINC000349542837 530091382 /nfs/dbraw/zinc/09/13/82/530091382.db2.gz YAHWSWRJZCDESO-UHFFFAOYSA-N 1 2 379.508 -0.481 20 0 GBADLO CCc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)n[nH]1 ZINC000349542838 530091503 /nfs/dbraw/zinc/09/15/03/530091503.db2.gz YARHHVODTZWRHD-UHFFFAOYSA-N 1 2 394.523 -0.534 20 0 GBADLO CCc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)n[nH]1 ZINC000349542838 530091502 /nfs/dbraw/zinc/09/15/02/530091502.db2.gz YARHHVODTZWRHD-UHFFFAOYSA-N 1 2 394.523 -0.534 20 0 GBADLO Cc1n[nH]c(C)c1NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349542861 530091477 /nfs/dbraw/zinc/09/14/77/530091477.db2.gz YFZZMJZIZQETOQ-UHFFFAOYSA-N 1 2 379.508 -0.264 20 0 GBADLO Cc1nnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)s1 ZINC000349542879 530091510 /nfs/dbraw/zinc/09/15/10/530091510.db2.gz YJFYFULONJHBGC-UHFFFAOYSA-N 1 2 397.548 -0.054 20 0 GBADLO Cc1nnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)s1 ZINC000349542879 530091509 /nfs/dbraw/zinc/09/15/09/530091509.db2.gz YJFYFULONJHBGC-UHFFFAOYSA-N 1 2 397.548 -0.054 20 0 GBADLO COc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](C)CC2)ccn1 ZINC000349542895 530091558 /nfs/dbraw/zinc/09/15/58/530091558.db2.gz YMRDVVATPJFDKL-UHFFFAOYSA-N 1 2 392.503 -0.201 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349542923 530341172 /nfs/dbraw/zinc/34/11/72/530341172.db2.gz YSLNAXFKMVBQGP-UHFFFAOYSA-N 1 2 376.504 -0.397 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(F)cn2)CC1 ZINC000349543516 530091367 /nfs/dbraw/zinc/09/13/67/530091367.db2.gz ZEDCDKVTOLPZGG-UHFFFAOYSA-N 1 2 380.467 -0.070 20 0 GBADLO C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349544926 530091567 /nfs/dbraw/zinc/09/15/67/530091567.db2.gz QIFQLEWWZAXMRD-GXTWGEPZSA-N 1 2 393.487 -0.905 20 0 GBADLO C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349544952 530091493 /nfs/dbraw/zinc/09/14/93/530091493.db2.gz QIFQLEWWZAXMRD-JSGCOSHPSA-N 1 2 393.487 -0.905 20 0 GBADLO C[C@H]1OCC[C@]1(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349544954 530091534 /nfs/dbraw/zinc/09/15/34/530091534.db2.gz QIFQLEWWZAXMRD-OCCSQVGLSA-N 1 2 393.487 -0.905 20 0 GBADLO C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349544955 530091530 /nfs/dbraw/zinc/09/15/30/530091530.db2.gz QIFQLEWWZAXMRD-TZMCWYRMSA-N 1 2 393.487 -0.905 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@@H]1C=C[C@H](CO)C1)Nc1cc[nH+]cc1 ZINC000349545526 530091483 /nfs/dbraw/zinc/09/14/83/530091483.db2.gz APKDYQSEIVHRKN-GXTWGEPZSA-N 1 2 375.472 -0.508 20 0 GBADLO C[C@H]1COCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349546515 530091939 /nfs/dbraw/zinc/09/19/39/530091939.db2.gz DITABWARGHQAGH-GXTWGEPZSA-N 1 2 377.488 -0.020 20 0 GBADLO C[C@H]1COCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349546516 530091864 /nfs/dbraw/zinc/09/18/64/530091864.db2.gz DITABWARGHQAGH-JSGCOSHPSA-N 1 2 377.488 -0.020 20 0 GBADLO C[C@@H]1COCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349546517 530092030 /nfs/dbraw/zinc/09/20/30/530092030.db2.gz DITABWARGHQAGH-OCCSQVGLSA-N 1 2 377.488 -0.020 20 0 GBADLO C[C@@H]1COCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349546518 530092014 /nfs/dbraw/zinc/09/20/14/530092014.db2.gz DITABWARGHQAGH-TZMCWYRMSA-N 1 2 377.488 -0.020 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)no1 ZINC000349550433 530368764 /nfs/dbraw/zinc/36/87/64/530368764.db2.gz HQOUVTWFTOTYLP-CYBMUJFWSA-N 1 2 396.491 -0.899 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)no1 ZINC000349550433 530368762 /nfs/dbraw/zinc/36/87/62/530368762.db2.gz HQOUVTWFTOTYLP-CYBMUJFWSA-N 1 2 396.491 -0.899 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)no1 ZINC000349550435 530368685 /nfs/dbraw/zinc/36/86/85/530368685.db2.gz HQOUVTWFTOTYLP-ZDUSSCGKSA-N 1 2 396.491 -0.899 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)no1 ZINC000349550435 530368683 /nfs/dbraw/zinc/36/86/83/530368683.db2.gz HQOUVTWFTOTYLP-ZDUSSCGKSA-N 1 2 396.491 -0.899 20 0 GBADLO CC1(C)COC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349550700 530092226 /nfs/dbraw/zinc/09/22/26/530092226.db2.gz HWJBFSDFMALSLF-CYBMUJFWSA-N 1 2 377.488 -0.020 20 0 GBADLO CC1(C)COC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349550701 530092114 /nfs/dbraw/zinc/09/21/14/530092114.db2.gz HWJBFSDFMALSLF-ZDUSSCGKSA-N 1 2 377.488 -0.020 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@]1(O)CCSC1 ZINC000349551613 530341394 /nfs/dbraw/zinc/34/13/94/530341394.db2.gz JARJMUGYHDGGDF-CYBMUJFWSA-N 1 2 395.528 -0.577 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@@]1(O)CCSC1 ZINC000349551614 530341289 /nfs/dbraw/zinc/34/12/89/530341289.db2.gz JARJMUGYHDGGDF-ZDUSSCGKSA-N 1 2 395.528 -0.577 20 0 GBADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349552061 530092432 /nfs/dbraw/zinc/09/24/32/530092432.db2.gz JHYKUUCMGZOWPZ-CMPLNLGQSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349552061 530092430 /nfs/dbraw/zinc/09/24/30/530092430.db2.gz JHYKUUCMGZOWPZ-CMPLNLGQSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349552061 530092429 /nfs/dbraw/zinc/09/24/29/530092429.db2.gz JHYKUUCMGZOWPZ-CMPLNLGQSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349552061 530092428 /nfs/dbraw/zinc/09/24/28/530092428.db2.gz JHYKUUCMGZOWPZ-CMPLNLGQSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349552064 530092400 /nfs/dbraw/zinc/09/24/00/530092400.db2.gz JHYKUUCMGZOWPZ-JQWIXIFHSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349552064 530092398 /nfs/dbraw/zinc/09/23/98/530092398.db2.gz JHYKUUCMGZOWPZ-JQWIXIFHSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349552064 530092396 /nfs/dbraw/zinc/09/23/96/530092396.db2.gz JHYKUUCMGZOWPZ-JQWIXIFHSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349552064 530092395 /nfs/dbraw/zinc/09/23/95/530092395.db2.gz JHYKUUCMGZOWPZ-JQWIXIFHSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349552066 530092180 /nfs/dbraw/zinc/09/21/80/530092180.db2.gz JHYKUUCMGZOWPZ-PWSUYJOCSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349552066 530092179 /nfs/dbraw/zinc/09/21/79/530092179.db2.gz JHYKUUCMGZOWPZ-PWSUYJOCSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349552066 530092178 /nfs/dbraw/zinc/09/21/78/530092178.db2.gz JHYKUUCMGZOWPZ-PWSUYJOCSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349552066 530092177 /nfs/dbraw/zinc/09/21/77/530092177.db2.gz JHYKUUCMGZOWPZ-PWSUYJOCSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349552068 530092199 /nfs/dbraw/zinc/09/21/99/530092199.db2.gz JHYKUUCMGZOWPZ-ZYHUDNBSSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349552068 530092197 /nfs/dbraw/zinc/09/21/97/530092197.db2.gz JHYKUUCMGZOWPZ-ZYHUDNBSSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349552068 530092196 /nfs/dbraw/zinc/09/21/96/530092196.db2.gz JHYKUUCMGZOWPZ-ZYHUDNBSSA-N 1 2 392.507 -0.661 20 0 GBADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349552068 530092195 /nfs/dbraw/zinc/09/21/95/530092195.db2.gz JHYKUUCMGZOWPZ-ZYHUDNBSSA-N 1 2 392.507 -0.661 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1)Nc1cn[nH]c1 ZINC000349552924 530341683 /nfs/dbraw/zinc/34/16/83/530341683.db2.gz KTJZPKNDGVRBIM-LLVKDONJSA-N 1 2 388.475 -0.328 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1)Nc1cn[nH]c1 ZINC000349552925 530341624 /nfs/dbraw/zinc/34/16/24/530341624.db2.gz KTJZPKNDGVRBIM-NSHDSACASA-N 1 2 388.475 -0.328 20 0 GBADLO CCN1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1=O ZINC000349557185 530369116 /nfs/dbraw/zinc/36/91/16/530369116.db2.gz PWDGYSXIOHCCJC-CYBMUJFWSA-N 1 2 390.487 -0.825 20 0 GBADLO CCN1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1=O ZINC000349557186 530369041 /nfs/dbraw/zinc/36/90/41/530369041.db2.gz PWDGYSXIOHCCJC-ZDUSSCGKSA-N 1 2 390.487 -0.825 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@H]1CC[C@@H](O)C1 ZINC000349557720 530368968 /nfs/dbraw/zinc/36/89/68/530368968.db2.gz QLDBQZHMEDAJJB-GXTWGEPZSA-N 1 2 377.488 -0.284 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@H]1CC[C@H](O)C1 ZINC000349557721 530369038 /nfs/dbraw/zinc/36/90/38/530369038.db2.gz QLDBQZHMEDAJJB-JSGCOSHPSA-N 1 2 377.488 -0.284 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@@H]1CC[C@H](O)C1 ZINC000349557722 530369061 /nfs/dbraw/zinc/36/90/61/530369061.db2.gz QLDBQZHMEDAJJB-OCCSQVGLSA-N 1 2 377.488 -0.284 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@@H]1CC[C@@H](O)C1 ZINC000349557723 530368965 /nfs/dbraw/zinc/36/89/65/530368965.db2.gz QLDBQZHMEDAJJB-TZMCWYRMSA-N 1 2 377.488 -0.284 20 0 GBADLO CC(=O)N1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349559378 530092820 /nfs/dbraw/zinc/09/28/20/530092820.db2.gz VMDIIMJVJWGISZ-AWEZNQCLSA-N 1 2 390.487 -0.825 20 0 GBADLO CC(=O)N1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349559379 530092617 /nfs/dbraw/zinc/09/26/17/530092617.db2.gz VMDIIMJVJWGISZ-CQSZACIVSA-N 1 2 390.487 -0.825 20 0 GBADLO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2nccs2)C1 ZINC000349559488 530092669 /nfs/dbraw/zinc/09/26/69/530092669.db2.gz VZYGWIYVGDYRIO-GFCCVEGCSA-N 1 2 398.532 -0.739 20 0 GBADLO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2nccs2)C1 ZINC000349559488 530092667 /nfs/dbraw/zinc/09/26/67/530092667.db2.gz VZYGWIYVGDYRIO-GFCCVEGCSA-N 1 2 398.532 -0.739 20 0 GBADLO C[N@H+]1CC[C@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2nccs2)C1 ZINC000349559489 530092775 /nfs/dbraw/zinc/09/27/75/530092775.db2.gz VZYGWIYVGDYRIO-LBPRGKRZSA-N 1 2 398.532 -0.739 20 0 GBADLO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2nccs2)C1 ZINC000349559489 530092774 /nfs/dbraw/zinc/09/27/74/530092774.db2.gz VZYGWIYVGDYRIO-LBPRGKRZSA-N 1 2 398.532 -0.739 20 0 GBADLO C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[N@H+]1C1CC1 ZINC000349560206 530092940 /nfs/dbraw/zinc/09/29/40/530092940.db2.gz YMTIVMYJSFITGV-GHMZBOCLSA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[N@@H+]1C1CC1 ZINC000349560206 530092939 /nfs/dbraw/zinc/09/29/39/530092939.db2.gz YMTIVMYJSFITGV-GHMZBOCLSA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[N@H+]1C1CC1 ZINC000349560206 530092937 /nfs/dbraw/zinc/09/29/37/530092937.db2.gz YMTIVMYJSFITGV-GHMZBOCLSA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[N@@H+]1C1CC1 ZINC000349560206 530092935 /nfs/dbraw/zinc/09/29/35/530092935.db2.gz YMTIVMYJSFITGV-GHMZBOCLSA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[N@H+]1C1CC1 ZINC000349560207 530093306 /nfs/dbraw/zinc/09/33/06/530093306.db2.gz YMTIVMYJSFITGV-MNOVXSKESA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[N@@H+]1C1CC1 ZINC000349560207 530093304 /nfs/dbraw/zinc/09/33/04/530093304.db2.gz YMTIVMYJSFITGV-MNOVXSKESA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[N@H+]1C1CC1 ZINC000349560207 530093302 /nfs/dbraw/zinc/09/33/02/530093302.db2.gz YMTIVMYJSFITGV-MNOVXSKESA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[N@@H+]1C1CC1 ZINC000349560207 530093301 /nfs/dbraw/zinc/09/33/01/530093301.db2.gz YMTIVMYJSFITGV-MNOVXSKESA-N 1 2 392.507 -0.519 20 0 GBADLO CN1C[C@H](NS(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC1=O ZINC000349560388 530369594 /nfs/dbraw/zinc/36/95/94/530369594.db2.gz BSOWHBRDGSEDDS-CYBMUJFWSA-N 1 2 390.487 -0.825 20 0 GBADLO CN1C[C@@H](NS(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC1=O ZINC000349560389 530369592 /nfs/dbraw/zinc/36/95/92/530369592.db2.gz BSOWHBRDGSEDDS-ZDUSSCGKSA-N 1 2 390.487 -0.825 20 0 GBADLO C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[N@H+]1C1CC1 ZINC000349560517 530093061 /nfs/dbraw/zinc/09/30/61/530093061.db2.gz YMTIVMYJSFITGV-QWRGUYRKSA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[N@@H+]1C1CC1 ZINC000349560517 530093058 /nfs/dbraw/zinc/09/30/58/530093058.db2.gz YMTIVMYJSFITGV-QWRGUYRKSA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[N@H+]1C1CC1 ZINC000349560517 530093055 /nfs/dbraw/zinc/09/30/55/530093055.db2.gz YMTIVMYJSFITGV-QWRGUYRKSA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[N@@H+]1C1CC1 ZINC000349560517 530093054 /nfs/dbraw/zinc/09/30/54/530093054.db2.gz YMTIVMYJSFITGV-QWRGUYRKSA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[N@H+]1C1CC1 ZINC000349560519 530093117 /nfs/dbraw/zinc/09/31/17/530093117.db2.gz YMTIVMYJSFITGV-WDEREUQCSA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C[N@@H+]1C1CC1 ZINC000349560519 530093115 /nfs/dbraw/zinc/09/31/15/530093115.db2.gz YMTIVMYJSFITGV-WDEREUQCSA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[N@H+]1C1CC1 ZINC000349560519 530093112 /nfs/dbraw/zinc/09/31/12/530093112.db2.gz YMTIVMYJSFITGV-WDEREUQCSA-N 1 2 392.507 -0.519 20 0 GBADLO C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C[N@@H+]1C1CC1 ZINC000349560519 530093110 /nfs/dbraw/zinc/09/31/10/530093110.db2.gz YMTIVMYJSFITGV-WDEREUQCSA-N 1 2 392.507 -0.519 20 0 GBADLO Cc1conc1NS(=O)(=O)CCCS(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000349560976 530093326 /nfs/dbraw/zinc/09/33/26/530093326.db2.gz ZFLMIIPMXFFELT-CYBMUJFWSA-N 1 2 396.491 -0.899 20 0 GBADLO Cc1conc1NS(=O)(=O)CCCS(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000349560976 530093324 /nfs/dbraw/zinc/09/33/24/530093324.db2.gz ZFLMIIPMXFFELT-CYBMUJFWSA-N 1 2 396.491 -0.899 20 0 GBADLO Cc1conc1NS(=O)(=O)CCCS(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000349560977 530093040 /nfs/dbraw/zinc/09/30/40/530093040.db2.gz ZFLMIIPMXFFELT-ZDUSSCGKSA-N 1 2 396.491 -0.899 20 0 GBADLO Cc1conc1NS(=O)(=O)CCCS(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000349560977 530093039 /nfs/dbraw/zinc/09/30/39/530093039.db2.gz ZFLMIIPMXFFELT-ZDUSSCGKSA-N 1 2 396.491 -0.899 20 0 GBADLO C[C@@H](O)CNS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000349564350 530093309 /nfs/dbraw/zinc/09/33/09/530093309.db2.gz GXURNZIIBBJDKV-GFCCVEGCSA-N 1 2 392.503 -0.642 20 0 GBADLO C[C@H](CO)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000349564396 530369010 /nfs/dbraw/zinc/36/90/10/530369010.db2.gz HFTCVDAPHUWNMI-GFCCVEGCSA-N 1 2 392.503 -0.642 20 0 GBADLO C[C@@H](CO)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000349564397 530092998 /nfs/dbraw/zinc/09/29/98/530092998.db2.gz HFTCVDAPHUWNMI-LBPRGKRZSA-N 1 2 392.503 -0.642 20 0 GBADLO CN1CC[C@@H](NS(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C1=O ZINC000349565028 530093566 /nfs/dbraw/zinc/09/35/66/530093566.db2.gz KSNCCGGKXNQCFA-CYBMUJFWSA-N 1 2 390.487 -0.825 20 0 GBADLO CN1CC[C@H](NS(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C1=O ZINC000349565029 530093663 /nfs/dbraw/zinc/09/36/63/530093663.db2.gz KSNCCGGKXNQCFA-ZDUSSCGKSA-N 1 2 390.487 -0.825 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCc2[nH+]ccn2C1)Nc1cn[nH]c1 ZINC000349565733 530369425 /nfs/dbraw/zinc/36/94/25/530369425.db2.gz JPCJNLHXCXYJMM-LLVKDONJSA-N 1 2 388.475 -0.328 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@H]1CCc2[nH+]ccn2C1)Nc1cn[nH]c1 ZINC000349565734 530369430 /nfs/dbraw/zinc/36/94/30/530369430.db2.gz JPCJNLHXCXYJMM-NSHDSACASA-N 1 2 388.475 -0.328 20 0 GBADLO C[N@@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2nncs2)CC1 ZINC000349568022 530093410 /nfs/dbraw/zinc/09/34/10/530093410.db2.gz GKXDIVAPRPOWQS-UHFFFAOYSA-N 1 2 395.532 -0.149 20 0 GBADLO C[N@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2nncs2)CC1 ZINC000349568022 530093408 /nfs/dbraw/zinc/09/34/08/530093408.db2.gz GKXDIVAPRPOWQS-UHFFFAOYSA-N 1 2 395.532 -0.149 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCn2ccnc21)Nc1cc[nH+]cc1 ZINC000349572241 637412607 /nfs/dbraw/zinc/41/26/07/637412607.db2.gz KDUIXJSFQUIXAV-CYBMUJFWSA-N 1 2 385.471 -0.104 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@H]1CCn2ccnc21)Nc1cc[nH+]cc1 ZINC000349572242 637412838 /nfs/dbraw/zinc/41/28/38/637412838.db2.gz KDUIXJSFQUIXAV-ZDUSSCGKSA-N 1 2 385.471 -0.104 20 0 GBADLO C[N@@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)CC1 ZINC000349573324 530093894 /nfs/dbraw/zinc/09/38/94/530093894.db2.gz LEBDWLMDWGWMRV-UHFFFAOYSA-N 1 2 389.503 -0.210 20 0 GBADLO C[N@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)CC1 ZINC000349573324 530093892 /nfs/dbraw/zinc/09/38/92/530093892.db2.gz LEBDWLMDWGWMRV-UHFFFAOYSA-N 1 2 389.503 -0.210 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NCC1(O)CCCC1 ZINC000349573820 530370190 /nfs/dbraw/zinc/37/01/90/530370190.db2.gz YHAQKBUPNUXPPP-UHFFFAOYSA-N 1 2 377.488 -0.140 20 0 GBADLO C[N@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C1 ZINC000349574425 530094312 /nfs/dbraw/zinc/09/43/12/530094312.db2.gz ACPFUWWNKZTABX-GFCCVEGCSA-N 1 2 377.492 -0.521 20 0 GBADLO C[N@@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C1 ZINC000349574425 530094311 /nfs/dbraw/zinc/09/43/11/530094311.db2.gz ACPFUWWNKZTABX-GFCCVEGCSA-N 1 2 377.492 -0.521 20 0 GBADLO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C1 ZINC000349574430 530094383 /nfs/dbraw/zinc/09/43/83/530094383.db2.gz ACPFUWWNKZTABX-LBPRGKRZSA-N 1 2 377.492 -0.521 20 0 GBADLO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C1 ZINC000349574430 530094381 /nfs/dbraw/zinc/09/43/81/530094381.db2.gz ACPFUWWNKZTABX-LBPRGKRZSA-N 1 2 377.492 -0.521 20 0 GBADLO C[N@@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)CC1 ZINC000349574735 530339385 /nfs/dbraw/zinc/33/93/85/530339385.db2.gz NERXBOAABQAXNA-UHFFFAOYSA-N 1 2 378.480 -0.882 20 0 GBADLO C[N@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)CC1 ZINC000349574735 530339383 /nfs/dbraw/zinc/33/93/83/530339383.db2.gz NERXBOAABQAXNA-UHFFFAOYSA-N 1 2 378.480 -0.882 20 0 GBADLO C[N@@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349574735 530339381 /nfs/dbraw/zinc/33/93/81/530339381.db2.gz NERXBOAABQAXNA-UHFFFAOYSA-N 1 2 378.480 -0.882 20 0 GBADLO C[N@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349574735 530339379 /nfs/dbraw/zinc/33/93/79/530339379.db2.gz NERXBOAABQAXNA-UHFFFAOYSA-N 1 2 378.480 -0.882 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NCC1(O)CCOCC1 ZINC000349576539 530094438 /nfs/dbraw/zinc/09/44/38/530094438.db2.gz PZJYXNHPKYHIFZ-UHFFFAOYSA-N 1 2 393.487 -0.904 20 0 GBADLO Cc1nc([C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)n[nH]1 ZINC000349576990 530094495 /nfs/dbraw/zinc/09/44/95/530094495.db2.gz QFLQCUNPAZMVAM-JTQLQIEISA-N 1 2 388.475 -0.258 20 0 GBADLO Cc1nnc([C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)[nH]1 ZINC000349576990 530094494 /nfs/dbraw/zinc/09/44/94/530094494.db2.gz QFLQCUNPAZMVAM-JTQLQIEISA-N 1 2 388.475 -0.258 20 0 GBADLO Cc1nc([C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)n[nH]1 ZINC000349576991 530094516 /nfs/dbraw/zinc/09/45/16/530094516.db2.gz QFLQCUNPAZMVAM-SNVBAGLBSA-N 1 2 388.475 -0.258 20 0 GBADLO Cc1nnc([C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)[nH]1 ZINC000349576991 530094514 /nfs/dbraw/zinc/09/45/14/530094514.db2.gz QFLQCUNPAZMVAM-SNVBAGLBSA-N 1 2 388.475 -0.258 20 0 GBADLO CN(c1cccnn1)S(=O)(=O)CCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349577657 530094426 /nfs/dbraw/zinc/09/44/26/530094426.db2.gz AAVABUNCGHSHOD-UHFFFAOYSA-N 1 2 391.519 -0.400 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccnn2C)CC1 ZINC000349578137 530339610 /nfs/dbraw/zinc/33/96/10/530339610.db2.gz ASAXJUVYSAUXAN-UHFFFAOYSA-N 1 2 393.535 -0.091 20 0 GBADLO C[N@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2ncccn2)CC1 ZINC000349578233 530094297 /nfs/dbraw/zinc/09/42/97/530094297.db2.gz BGXFPDKGLNAZKC-UHFFFAOYSA-N 1 2 391.519 -0.034 20 0 GBADLO C[N@@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2ncccn2)CC1 ZINC000349578233 530094295 /nfs/dbraw/zinc/09/42/95/530094295.db2.gz BGXFPDKGLNAZKC-UHFFFAOYSA-N 1 2 391.519 -0.034 20 0 GBADLO C[C@@]1(O)C[C@H](NS(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349578640 530094422 /nfs/dbraw/zinc/09/44/22/530094422.db2.gz BUTPBLJOLFVDQT-OKILXGFUSA-N 1 2 377.488 -0.142 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC000349580686 530094936 /nfs/dbraw/zinc/09/49/36/530094936.db2.gz DYNLQKZJFJKHDV-UHFFFAOYSA-N 1 2 393.535 -0.172 20 0 GBADLO NC(=O)[C@H]1CCCN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349581875 530094685 /nfs/dbraw/zinc/09/46/85/530094685.db2.gz HALDDBRJYUIZQS-CYBMUJFWSA-N 1 2 390.487 -0.695 20 0 GBADLO NC(=O)[C@@H]1CCCN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349581876 530221640 /nfs/dbraw/zinc/22/16/40/530221640.db2.gz HALDDBRJYUIZQS-ZDUSSCGKSA-N 1 2 390.487 -0.695 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccncc2F)CC1 ZINC000349582667 530094757 /nfs/dbraw/zinc/09/47/57/530094757.db2.gz ILFDNYTTXKGIFZ-UHFFFAOYSA-N 1 2 394.494 -0.258 20 0 GBADLO C[N@@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2ccon2)CC1 ZINC000349582914 530370211 /nfs/dbraw/zinc/37/02/11/530370211.db2.gz WZIGRVALDZMICC-UHFFFAOYSA-N 1 2 378.476 -0.012 20 0 GBADLO C[N@H+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)Nc2ccon2)CC1 ZINC000349582914 530370209 /nfs/dbraw/zinc/37/02/09/530370209.db2.gz WZIGRVALDZMICC-UHFFFAOYSA-N 1 2 378.476 -0.012 20 0 GBADLO Cn1nccc1NS(=O)(=O)CCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349583806 530094735 /nfs/dbraw/zinc/09/47/35/530094735.db2.gz KHPJZFMQRUVRBF-UHFFFAOYSA-N 1 2 379.508 -0.481 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CCC[C@H]1O)Nc1cc[nH+]cc1 ZINC000349584438 530094917 /nfs/dbraw/zinc/09/49/17/530094917.db2.gz KPFZHIOPACEIFK-ZIAGYGMSSA-N 1 2 377.488 -0.142 20 0 GBADLO CN(c1ccn(C)n1)S(=O)(=O)CCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349585216 530094854 /nfs/dbraw/zinc/09/48/54/530094854.db2.gz LMCUTTKEPPQNHS-UHFFFAOYSA-N 1 2 393.535 -0.457 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cn[nH]c2)CC1 ZINC000349585336 530340260 /nfs/dbraw/zinc/34/02/60/530340260.db2.gz LZWLKFLBHWZZKI-UHFFFAOYSA-N 1 2 379.508 -0.101 20 0 GBADLO CC(C)[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349585455 530340345 /nfs/dbraw/zinc/34/03/45/530340345.db2.gz COSBAVBNBFFSAV-UHFFFAOYSA-N 1 2 394.523 -0.318 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccnnc2)CC1 ZINC000349587702 530095242 /nfs/dbraw/zinc/09/52/42/530095242.db2.gz OAVMNZRFWNERET-UHFFFAOYSA-N 1 2 377.492 -0.424 20 0 GBADLO Cc1n[nH]cc1NS(=O)(=O)CCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349588540 530095003 /nfs/dbraw/zinc/09/50/03/530095003.db2.gz OHFNVCFCOTUVRR-UHFFFAOYSA-N 1 2 379.508 -0.183 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@H]1CCCOC1 ZINC000349588849 530095208 /nfs/dbraw/zinc/09/52/08/530095208.db2.gz GMEXGMFQBOKTQH-CYBMUJFWSA-N 1 2 377.488 -0.019 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@@H]1CCCOC1 ZINC000349588850 530095196 /nfs/dbraw/zinc/09/51/96/530095196.db2.gz GMEXGMFQBOKTQH-ZDUSSCGKSA-N 1 2 377.488 -0.019 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(=O)[nH]n2)CC1 ZINC000349589220 530095064 /nfs/dbraw/zinc/09/50/64/530095064.db2.gz OTRUPTCDAHSUGA-UHFFFAOYSA-N 1 2 393.491 -0.719 20 0 GBADLO Cn1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[NH+](C)CC2)n1 ZINC000349589967 530095298 /nfs/dbraw/zinc/09/52/98/530095298.db2.gz PKJXREUDBKVEQX-UHFFFAOYSA-N 1 2 379.508 -0.481 20 0 GBADLO CN(c1ncccn1)S(=O)(=O)CCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349590028 530095287 /nfs/dbraw/zinc/09/52/87/530095287.db2.gz POCGOOLHDHTBSM-UHFFFAOYSA-N 1 2 391.519 -0.400 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccn(C)n2)CC1 ZINC000349590055 530340022 /nfs/dbraw/zinc/34/00/22/530340022.db2.gz PSBJRUDBTCOSCM-UHFFFAOYSA-N 1 2 393.535 -0.091 20 0 GBADLO CC[N@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nc[nH]n2)CC1 ZINC000349590155 530095309 /nfs/dbraw/zinc/09/53/09/530095309.db2.gz LEDRTBQXVYSBNB-UHFFFAOYSA-N 1 2 394.523 -0.316 20 0 GBADLO CC[N@@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nc[nH]n2)CC1 ZINC000349590155 530095307 /nfs/dbraw/zinc/09/53/07/530095307.db2.gz LEDRTBQXVYSBNB-UHFFFAOYSA-N 1 2 394.523 -0.316 20 0 GBADLO CC[N@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349590155 530095306 /nfs/dbraw/zinc/09/53/06/530095306.db2.gz LEDRTBQXVYSBNB-UHFFFAOYSA-N 1 2 394.523 -0.316 20 0 GBADLO CC[N@@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349590155 530095304 /nfs/dbraw/zinc/09/53/04/530095304.db2.gz LEDRTBQXVYSBNB-UHFFFAOYSA-N 1 2 394.523 -0.316 20 0 GBADLO CN(c1nncs1)S(=O)(=O)CCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349590660 530095667 /nfs/dbraw/zinc/09/56/67/530095667.db2.gz QHLFWVOWCCKDOJ-UHFFFAOYSA-N 1 2 397.548 -0.339 20 0 GBADLO CN(c1cnn(C)c1)S(=O)(=O)CCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349590708 530095588 /nfs/dbraw/zinc/09/55/88/530095588.db2.gz QPQDMUWYJJUAPE-UHFFFAOYSA-N 1 2 393.535 -0.457 20 0 GBADLO C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349591092 530095702 /nfs/dbraw/zinc/09/57/02/530095702.db2.gz NLHPSFPIZOEFDN-GFCCVEGCSA-N 1 2 390.487 -0.825 20 0 GBADLO C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349591093 530095664 /nfs/dbraw/zinc/09/56/64/530095664.db2.gz NLHPSFPIZOEFDN-LBPRGKRZSA-N 1 2 390.487 -0.825 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1CC[C@@H](CO)C1)Nc1cc[nH+]cc1 ZINC000349591615 530370671 /nfs/dbraw/zinc/37/06/71/530370671.db2.gz OYEUJLGDPOTIFL-CYBMUJFWSA-N 1 2 377.488 -0.331 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1CC[C@H](CO)C1)Nc1cc[nH+]cc1 ZINC000349591616 530370743 /nfs/dbraw/zinc/37/07/43/530370743.db2.gz OYEUJLGDPOTIFL-ZDUSSCGKSA-N 1 2 377.488 -0.331 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[C@@H](CO)C1)Nc1cc[nH+]cc1 ZINC000349591645 530095513 /nfs/dbraw/zinc/09/55/13/530095513.db2.gz LSGJTFGFOVQTFD-OCCSQVGLSA-N 1 2 377.488 -0.284 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cn(C)nn2)CC1 ZINC000349591903 530340266 /nfs/dbraw/zinc/34/02/66/530340266.db2.gz RTQYGWOWSMFTJA-UHFFFAOYSA-N 1 2 394.523 -0.696 20 0 GBADLO Cn1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CCC[N@@H+](C)CC2)n1 ZINC000349592325 530095750 /nfs/dbraw/zinc/09/57/50/530095750.db2.gz RYZNPBOYHAUMRM-UHFFFAOYSA-N 1 2 393.535 -0.091 20 0 GBADLO Cn1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CCC[N@H+](C)CC2)n1 ZINC000349592325 530095749 /nfs/dbraw/zinc/09/57/49/530095749.db2.gz RYZNPBOYHAUMRM-UHFFFAOYSA-N 1 2 393.535 -0.091 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21)Nc1cc[nH+]cc1 ZINC000349592345 530340350 /nfs/dbraw/zinc/34/03/50/530340350.db2.gz SJKCJXCXLMKFJC-WDNDVIMCSA-N 1 2 375.472 -0.410 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCC[C@@H]1O)Nc1cc[nH+]cc1 ZINC000349592854 530095645 /nfs/dbraw/zinc/09/56/45/530095645.db2.gz OMHIUJLQNMDFTN-KBPBESRZSA-N 1 2 377.488 -0.142 20 0 GBADLO CN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349592968 530340277 /nfs/dbraw/zinc/34/02/77/530340277.db2.gz UDWKAXMISXHYRO-UHFFFAOYSA-N 1 2 376.504 -0.397 20 0 GBADLO C[N@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nc[nH]n2)CC1 ZINC000349593598 530095499 /nfs/dbraw/zinc/09/54/99/530095499.db2.gz UQSNBVILGNIUDT-UHFFFAOYSA-N 1 2 380.496 -0.706 20 0 GBADLO C[N@@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nc[nH]n2)CC1 ZINC000349593598 530095497 /nfs/dbraw/zinc/09/54/97/530095497.db2.gz UQSNBVILGNIUDT-UHFFFAOYSA-N 1 2 380.496 -0.706 20 0 GBADLO C[N@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349593598 530095493 /nfs/dbraw/zinc/09/54/93/530095493.db2.gz UQSNBVILGNIUDT-UHFFFAOYSA-N 1 2 380.496 -0.706 20 0 GBADLO C[N@@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349593598 530095492 /nfs/dbraw/zinc/09/54/92/530095492.db2.gz UQSNBVILGNIUDT-UHFFFAOYSA-N 1 2 380.496 -0.706 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1CCC[C@H]1CO)Nc1cc[nH+]cc1 ZINC000349593704 530095506 /nfs/dbraw/zinc/09/55/06/530095506.db2.gz SLVRJIJRZPXBMH-AWEZNQCLSA-N 1 2 377.488 -0.188 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1CCC[C@@H]1CO)Nc1cc[nH+]cc1 ZINC000349593705 530340332 /nfs/dbraw/zinc/34/03/32/530340332.db2.gz SLVRJIJRZPXBMH-CQSZACIVSA-N 1 2 377.488 -0.188 20 0 GBADLO CN(c1cnccn1)S(=O)(=O)CCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349594169 530095730 /nfs/dbraw/zinc/09/57/30/530095730.db2.gz VJXAOUXDFGUWKB-UHFFFAOYSA-N 1 2 391.519 -0.400 20 0 GBADLO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C1 ZINC000349594969 530096027 /nfs/dbraw/zinc/09/60/27/530096027.db2.gz UEMFNDGDZOTOIA-NEPJUHHUSA-N 1 2 394.523 -0.271 20 0 GBADLO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C1 ZINC000349594969 530096026 /nfs/dbraw/zinc/09/60/26/530096026.db2.gz UEMFNDGDZOTOIA-NEPJUHHUSA-N 1 2 394.523 -0.271 20 0 GBADLO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C1 ZINC000349594974 530095951 /nfs/dbraw/zinc/09/59/51/530095951.db2.gz UEMFNDGDZOTOIA-NWDGAFQWSA-N 1 2 394.523 -0.271 20 0 GBADLO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C1 ZINC000349594974 530095950 /nfs/dbraw/zinc/09/59/50/530095950.db2.gz UEMFNDGDZOTOIA-NWDGAFQWSA-N 1 2 394.523 -0.271 20 0 GBADLO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C1 ZINC000349594975 530095994 /nfs/dbraw/zinc/09/59/94/530095994.db2.gz UEMFNDGDZOTOIA-RYUDHWBXSA-N 1 2 394.523 -0.271 20 0 GBADLO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C1 ZINC000349594975 530095993 /nfs/dbraw/zinc/09/59/93/530095993.db2.gz UEMFNDGDZOTOIA-RYUDHWBXSA-N 1 2 394.523 -0.271 20 0 GBADLO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C1 ZINC000349594976 530095938 /nfs/dbraw/zinc/09/59/38/530095938.db2.gz UEMFNDGDZOTOIA-VXGBXAGGSA-N 1 2 394.523 -0.271 20 0 GBADLO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C1 ZINC000349594976 530095937 /nfs/dbraw/zinc/09/59/37/530095937.db2.gz UEMFNDGDZOTOIA-VXGBXAGGSA-N 1 2 394.523 -0.271 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(=O)[nH]c2)CC1 ZINC000349595182 530342091 /nfs/dbraw/zinc/34/20/91/530342091.db2.gz XBMABXAHNOQCDM-UHFFFAOYSA-N 1 2 392.503 -0.114 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccnnc2)CC1 ZINC000349595736 530095940 /nfs/dbraw/zinc/09/59/40/530095940.db2.gz XTFISPHWDDEWAX-UHFFFAOYSA-N 1 2 391.519 -0.034 20 0 GBADLO Cc1ncc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000349595738 530095910 /nfs/dbraw/zinc/09/59/10/530095910.db2.gz XTIVWTVJOWKYSC-UHFFFAOYSA-N 1 2 391.519 -0.116 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000349596658 530371007 /nfs/dbraw/zinc/37/10/07/530371007.db2.gz ZFFQBDPLMBCQSX-UHFFFAOYSA-N 1 2 390.531 -0.007 20 0 GBADLO Cc1c(NS(=O)(=O)CCCCS(=O)(=O)N2CC([NH+](C)C)C2)nnn1C ZINC000349597039 530095927 /nfs/dbraw/zinc/09/59/27/530095927.db2.gz CKEXJEMQZMMOLU-UHFFFAOYSA-N 1 2 394.523 -0.779 20 0 GBADLO Cc1nnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@H+](C)C2)s1 ZINC000349597172 530342086 /nfs/dbraw/zinc/34/20/86/530342086.db2.gz BMLWIGMAGZCWGA-LLVKDONJSA-N 1 2 397.548 -0.151 20 0 GBADLO Cc1nnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)s1 ZINC000349597172 530342084 /nfs/dbraw/zinc/34/20/84/530342084.db2.gz BMLWIGMAGZCWGA-LLVKDONJSA-N 1 2 397.548 -0.151 20 0 GBADLO Cc1nnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)s1 ZINC000349597181 530342128 /nfs/dbraw/zinc/34/21/28/530342128.db2.gz BMLWIGMAGZCWGA-NSHDSACASA-N 1 2 397.548 -0.151 20 0 GBADLO Cc1nnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)s1 ZINC000349597181 530342126 /nfs/dbraw/zinc/34/21/26/530342126.db2.gz BMLWIGMAGZCWGA-NSHDSACASA-N 1 2 397.548 -0.151 20 0 GBADLO CC(C)NS(=O)(=O)CCCS(=O)(=O)Nc1ncnn1-c1cc[nH+]cc1 ZINC000349597543 530096009 /nfs/dbraw/zinc/09/60/09/530096009.db2.gz BYLJRZNKNVFZPW-UHFFFAOYSA-N 1 2 388.475 -0.456 20 0 GBADLO Cc1ncc(NS(=O)(=O)CCCCS(=O)(=O)N2CC([NH+](C)C)C2)cn1 ZINC000349598387 530096241 /nfs/dbraw/zinc/09/62/41/530096241.db2.gz GYXVBDRTPGEHPC-UHFFFAOYSA-N 1 2 391.519 -0.117 20 0 GBADLO C[N@H+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nnc[nH]2)C(C)(C)C1 ZINC000349598930 530096397 /nfs/dbraw/zinc/09/63/97/530096397.db2.gz IKSSVZRHURIWID-UHFFFAOYSA-N 1 2 394.523 -0.318 20 0 GBADLO C[N@@H+]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nnc[nH]2)C(C)(C)C1 ZINC000349598930 530096396 /nfs/dbraw/zinc/09/63/96/530096396.db2.gz IKSSVZRHURIWID-UHFFFAOYSA-N 1 2 394.523 -0.318 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H]1O ZINC000349599195 530371105 /nfs/dbraw/zinc/37/11/05/530371105.db2.gz IXCSASUATKOJFS-GXTWGEPZSA-N 1 2 377.488 -0.332 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@H]1O ZINC000349599196 530371034 /nfs/dbraw/zinc/37/10/34/530371034.db2.gz IXCSASUATKOJFS-JSGCOSHPSA-N 1 2 377.488 -0.332 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@H]1O ZINC000349599197 530371101 /nfs/dbraw/zinc/37/11/01/530371101.db2.gz IXCSASUATKOJFS-OCCSQVGLSA-N 1 2 377.488 -0.332 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H]1O ZINC000349599199 530371086 /nfs/dbraw/zinc/37/10/86/530371086.db2.gz IXCSASUATKOJFS-TZMCWYRMSA-N 1 2 377.488 -0.332 20 0 GBADLO C[C@H](O)CNS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000349599656 530096322 /nfs/dbraw/zinc/09/63/22/530096322.db2.gz GXURNZIIBBJDKV-LBPRGKRZSA-N 1 2 392.503 -0.642 20 0 GBADLO Cn1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CC([NH+](C)C)C2)n1 ZINC000349599988 530096278 /nfs/dbraw/zinc/09/62/78/530096278.db2.gz KXSJULLNDQDMBF-UHFFFAOYSA-N 1 2 379.508 -0.482 20 0 GBADLO Cc1nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC([NH+](C)C)C2)nn1C ZINC000349600310 530096466 /nfs/dbraw/zinc/09/64/66/530096466.db2.gz LKCVOGRVTUQKMP-UHFFFAOYSA-N 1 2 394.523 -0.779 20 0 GBADLO CN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC1=O ZINC000349601342 530096714 /nfs/dbraw/zinc/09/67/14/530096714.db2.gz OGDRSEFZOCHIMR-UHFFFAOYSA-N 1 2 390.487 -0.871 20 0 GBADLO C[NH+](C)C1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccnnc2)C1 ZINC000349601816 530096639 /nfs/dbraw/zinc/09/66/39/530096639.db2.gz PBXZGPYYDZJPPI-UHFFFAOYSA-N 1 2 377.492 -0.426 20 0 GBADLO C[NH+](C)C1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccncc2)C1 ZINC000349601845 530342288 /nfs/dbraw/zinc/34/22/88/530342288.db2.gz PDYDNGSKDQHHQB-UHFFFAOYSA-N 1 2 376.504 -0.399 20 0 GBADLO Cc1nnc(NS(=O)(=O)CCCCS(=O)(=O)N2CC([NH+](C)C)C2)s1 ZINC000349602140 530342406 /nfs/dbraw/zinc/34/24/06/530342406.db2.gz POPLBWJVYRPNTK-UHFFFAOYSA-N 1 2 397.548 -0.056 20 0 GBADLO Cc1ccnc(NS(=O)(=O)CCCCS(=O)(=O)N2CC([NH+](C)C)C2)n1 ZINC000349603297 530096626 /nfs/dbraw/zinc/09/66/26/530096626.db2.gz ROLIQOLBQLXVHN-UHFFFAOYSA-N 1 2 391.519 -0.117 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NCC1CCOCC1 ZINC000349603330 530096776 /nfs/dbraw/zinc/09/67/76/530096776.db2.gz NCTGFNBPWPJQBT-UHFFFAOYSA-N 1 2 377.488 -0.019 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@H+](C)C2)no1 ZINC000349603335 530096687 /nfs/dbraw/zinc/09/66/87/530096687.db2.gz NETVZOAELIZMDI-GFCCVEGCSA-N 1 2 380.492 -0.014 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)no1 ZINC000349603335 530096685 /nfs/dbraw/zinc/09/66/85/530096685.db2.gz NETVZOAELIZMDI-GFCCVEGCSA-N 1 2 380.492 -0.014 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)no1 ZINC000349603336 530096634 /nfs/dbraw/zinc/09/66/34/530096634.db2.gz NETVZOAELIZMDI-LBPRGKRZSA-N 1 2 380.492 -0.014 20 0 GBADLO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)no1 ZINC000349603336 530096633 /nfs/dbraw/zinc/09/66/33/530096633.db2.gz NETVZOAELIZMDI-LBPRGKRZSA-N 1 2 380.492 -0.014 20 0 GBADLO C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349603520 530370896 /nfs/dbraw/zinc/37/08/96/530370896.db2.gz BLUSYDFPWUAUQD-TZMCWYRMSA-N 1 2 377.488 -0.190 20 0 GBADLO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2nncs2)C1 ZINC000349603820 530342297 /nfs/dbraw/zinc/34/22/97/530342297.db2.gz NYHRFHVMAKDHNF-JTQLQIEISA-N 1 2 383.521 -0.459 20 0 GBADLO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2nncs2)C1 ZINC000349603820 530342296 /nfs/dbraw/zinc/34/22/96/530342296.db2.gz NYHRFHVMAKDHNF-JTQLQIEISA-N 1 2 383.521 -0.459 20 0 GBADLO C[N@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2nncs2)C1 ZINC000349603822 530342542 /nfs/dbraw/zinc/34/25/42/530342542.db2.gz NYHRFHVMAKDHNF-SNVBAGLBSA-N 1 2 383.521 -0.459 20 0 GBADLO C[N@@H+]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2nncs2)C1 ZINC000349603822 530342540 /nfs/dbraw/zinc/34/25/40/530342540.db2.gz NYHRFHVMAKDHNF-SNVBAGLBSA-N 1 2 383.521 -0.459 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1O)Nc1cc[nH+]cc1 ZINC000349604252 530096569 /nfs/dbraw/zinc/09/65/69/530096569.db2.gz OMHIUJLQNMDFTN-ZIAGYGMSSA-N 1 2 377.488 -0.142 20 0 GBADLO Cc1n[nH]cc1NS(=O)(=O)CCCCS(=O)(=O)N1CC([NH+](C)C)C1 ZINC000349604878 530342459 /nfs/dbraw/zinc/34/24/59/530342459.db2.gz UHCGYKRNHMOURN-UHFFFAOYSA-N 1 2 379.508 -0.184 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC(=O)N1 ZINC000349605644 530096524 /nfs/dbraw/zinc/09/65/24/530096524.db2.gz VKDAGGRDCGBFNX-GFCCVEGCSA-N 1 2 390.487 -0.825 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC(=O)N1 ZINC000349605648 530096734 /nfs/dbraw/zinc/09/67/34/530096734.db2.gz VKDAGGRDCGBFNX-LBPRGKRZSA-N 1 2 390.487 -0.825 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H]1CO ZINC000349606373 530096945 /nfs/dbraw/zinc/09/69/45/530096945.db2.gz WZKNSRHDJVDPOH-KGLIPLIRSA-N 1 2 391.515 -0.085 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2nnc[nH]2)C[C@H](C)[N@@H+]1C ZINC000349606699 530096919 /nfs/dbraw/zinc/09/69/19/530096919.db2.gz XXJSPLYPNAHURD-TXEJJXNPSA-N 1 2 394.523 -0.319 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2nnc[nH]2)C[C@H](C)[N@H+]1C ZINC000349606699 530096917 /nfs/dbraw/zinc/09/69/17/530096917.db2.gz XXJSPLYPNAHURD-TXEJJXNPSA-N 1 2 394.523 -0.319 20 0 GBADLO C[NH+](C)C1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ncccn2)C1 ZINC000349607096 530096961 /nfs/dbraw/zinc/09/69/61/530096961.db2.gz YUCBGYHFKCGUNJ-UHFFFAOYSA-N 1 2 377.492 -0.426 20 0 GBADLO Cc1conc1NS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000349607416 530097026 /nfs/dbraw/zinc/09/70/26/530097026.db2.gz UVMZBBJBVOYSPG-GFCCVEGCSA-N 1 2 380.492 -0.014 20 0 GBADLO Cc1conc1NS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000349607416 530097023 /nfs/dbraw/zinc/09/70/23/530097023.db2.gz UVMZBBJBVOYSPG-GFCCVEGCSA-N 1 2 380.492 -0.014 20 0 GBADLO Cc1conc1NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000349607420 530097137 /nfs/dbraw/zinc/09/71/37/530097137.db2.gz UVMZBBJBVOYSPG-LBPRGKRZSA-N 1 2 380.492 -0.014 20 0 GBADLO Cc1conc1NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000349607420 530097136 /nfs/dbraw/zinc/09/71/36/530097136.db2.gz UVMZBBJBVOYSPG-LBPRGKRZSA-N 1 2 380.492 -0.014 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1C[C@H](O)C2(CC2)C1)Nc1cc[nH+]cc1 ZINC000349608158 530342856 /nfs/dbraw/zinc/34/28/56/530342856.db2.gz GRROANLNGWYLPL-AWEZNQCLSA-N 1 2 389.499 -0.188 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1C[C@@H](O)C2(CC2)C1)Nc1cc[nH+]cc1 ZINC000349608159 530342920 /nfs/dbraw/zinc/34/29/20/530342920.db2.gz GRROANLNGWYLPL-CQSZACIVSA-N 1 2 389.499 -0.188 20 0 GBADLO Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@H+](C)C2)n1 ZINC000349608592 530342846 /nfs/dbraw/zinc/34/28/46/530342846.db2.gz XZEJYFYROMTHFD-CYBMUJFWSA-N 1 2 391.519 -0.212 20 0 GBADLO Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)n1 ZINC000349608592 530342844 /nfs/dbraw/zinc/34/28/44/530342844.db2.gz XZEJYFYROMTHFD-CYBMUJFWSA-N 1 2 391.519 -0.212 20 0 GBADLO Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)n1 ZINC000349608593 530342720 /nfs/dbraw/zinc/34/27/20/530342720.db2.gz XZEJYFYROMTHFD-ZDUSSCGKSA-N 1 2 391.519 -0.212 20 0 GBADLO Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000349608593 530342718 /nfs/dbraw/zinc/34/27/18/530342718.db2.gz XZEJYFYROMTHFD-ZDUSSCGKSA-N 1 2 391.519 -0.212 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@H+](C)C2)nc1 ZINC000349609236 637495000 /nfs/dbraw/zinc/49/50/00/637495000.db2.gz ZZIVIWOBIIAKSZ-CYBMUJFWSA-N 1 2 391.519 -0.212 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)nc1 ZINC000349609236 637494996 /nfs/dbraw/zinc/49/49/96/637494996.db2.gz ZZIVIWOBIIAKSZ-CYBMUJFWSA-N 1 2 391.519 -0.212 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)nc1 ZINC000349609237 637494827 /nfs/dbraw/zinc/49/48/27/637494827.db2.gz ZZIVIWOBIIAKSZ-ZDUSSCGKSA-N 1 2 391.519 -0.212 20 0 GBADLO Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)nc1 ZINC000349609237 637494824 /nfs/dbraw/zinc/49/48/24/637494824.db2.gz ZZIVIWOBIIAKSZ-ZDUSSCGKSA-N 1 2 391.519 -0.212 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1CCOC[C@@H](O)C1)Nc1cc[nH+]cc1 ZINC000349609787 530097600 /nfs/dbraw/zinc/09/76/00/530097600.db2.gz IVZRPUSCAIGOEG-AWEZNQCLSA-N 1 2 393.487 -0.952 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1CCOC[C@H](O)C1)Nc1cc[nH+]cc1 ZINC000349609788 530097501 /nfs/dbraw/zinc/09/75/01/530097501.db2.gz IVZRPUSCAIGOEG-CQSZACIVSA-N 1 2 393.487 -0.952 20 0 GBADLO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3nc[nH]n3)C[C@@H]21 ZINC000349610250 530097520 /nfs/dbraw/zinc/09/75/20/530097520.db2.gz QQCZKCWBGWFNCF-NEPJUHHUSA-N 1 2 392.507 -0.708 20 0 GBADLO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3nc[nH]n3)C[C@@H]21 ZINC000349610250 530097517 /nfs/dbraw/zinc/09/75/17/530097517.db2.gz QQCZKCWBGWFNCF-NEPJUHHUSA-N 1 2 392.507 -0.708 20 0 GBADLO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3nnc[nH]3)C[C@@H]21 ZINC000349610250 530097516 /nfs/dbraw/zinc/09/75/16/530097516.db2.gz QQCZKCWBGWFNCF-NEPJUHHUSA-N 1 2 392.507 -0.708 20 0 GBADLO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3nnc[nH]3)C[C@@H]21 ZINC000349610250 530097513 /nfs/dbraw/zinc/09/75/13/530097513.db2.gz QQCZKCWBGWFNCF-NEPJUHHUSA-N 1 2 392.507 -0.708 20 0 GBADLO CCN1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC1=O ZINC000349610268 530371972 /nfs/dbraw/zinc/37/19/72/530371972.db2.gz QVVQAEBWHOQJEA-UHFFFAOYSA-N 1 2 390.487 -0.523 20 0 GBADLO CN(C1CC(O)C1)S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349610486 530097754 /nfs/dbraw/zinc/09/77/54/530097754.db2.gz KBFUMLQEZRHXDM-UHFFFAOYSA-N 1 2 377.488 -0.190 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[C@H](O)CC1)Nc1cc[nH+]cc1 ZINC000349610927 530342761 /nfs/dbraw/zinc/34/27/61/530342761.db2.gz DOVJADBNRYLAFQ-MQMHXKEQSA-N 1 2 377.488 -0.142 20 0 GBADLO Cc1ncc(NS(=O)(=O)CCCS(=O)(=O)NCc2c[nH+]cn2C)cn1 ZINC000349611857 530097910 /nfs/dbraw/zinc/09/79/10/530097910.db2.gz IASVZVHUHXQXDG-UHFFFAOYSA-N 1 2 388.475 -0.230 20 0 GBADLO CN1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CC1=O ZINC000349612778 530343224 /nfs/dbraw/zinc/34/32/24/530343224.db2.gz VQFCKQJUQWDAIR-UHFFFAOYSA-N 1 2 376.460 -0.913 20 0 GBADLO C[C@@]1(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CCOC1 ZINC000349614256 530097718 /nfs/dbraw/zinc/09/77/18/530097718.db2.gz LPMHIZODLUOZCB-AWEZNQCLSA-N 1 2 377.488 -0.019 20 0 GBADLO C[C@]1(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CCOC1 ZINC000349614257 530097880 /nfs/dbraw/zinc/09/78/80/530097880.db2.gz LPMHIZODLUOZCB-CQSZACIVSA-N 1 2 377.488 -0.019 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1CC(O)(C(F)F)C1)Nc1cc[nH+]cc1 ZINC000349614639 530097784 /nfs/dbraw/zinc/09/77/84/530097784.db2.gz YEGQPFPLIOGLLJ-UHFFFAOYSA-N 1 2 399.441 -0.333 20 0 GBADLO C[NH+](C)C1CCC(NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)CC1 ZINC000349614933 530098119 /nfs/dbraw/zinc/09/81/19/530098119.db2.gz MICQCGCLMBHCFS-UHFFFAOYSA-N 1 2 394.523 -0.271 20 0 GBADLO C[NH+](C)C1CCC(NS(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)CC1 ZINC000349614933 530098118 /nfs/dbraw/zinc/09/81/18/530098118.db2.gz MICQCGCLMBHCFS-UHFFFAOYSA-N 1 2 394.523 -0.271 20 0 GBADLO CO[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@H]1O ZINC000349615332 530371942 /nfs/dbraw/zinc/37/19/42/530371942.db2.gz ZZHOIILFLWZURO-ZIAGYGMSSA-N 1 2 393.487 -0.953 20 0 GBADLO CN([C@@H]1CCNC1=O)S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349616507 530098095 /nfs/dbraw/zinc/09/80/95/530098095.db2.gz LVHRJIKBOWAUQG-CYBMUJFWSA-N 1 2 390.487 -0.825 20 0 GBADLO CN([C@H]1CCNC1=O)S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349616508 530098106 /nfs/dbraw/zinc/09/81/06/530098106.db2.gz LVHRJIKBOWAUQG-ZDUSSCGKSA-N 1 2 390.487 -0.825 20 0 GBADLO C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349621881 530098652 /nfs/dbraw/zinc/09/86/52/530098652.db2.gz QVLHRWUZZZAYJF-GXTWGEPZSA-N 1 2 377.488 -0.190 20 0 GBADLO C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349621885 530098473 /nfs/dbraw/zinc/09/84/73/530098473.db2.gz QVLHRWUZZZAYJF-JSGCOSHPSA-N 1 2 377.488 -0.190 20 0 GBADLO C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349621891 530098663 /nfs/dbraw/zinc/09/86/63/530098663.db2.gz QVLHRWUZZZAYJF-OCCSQVGLSA-N 1 2 377.488 -0.190 20 0 GBADLO C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349621893 530098582 /nfs/dbraw/zinc/09/85/82/530098582.db2.gz QVLHRWUZZZAYJF-TZMCWYRMSA-N 1 2 377.488 -0.190 20 0 GBADLO CCN1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1=O ZINC000349623242 530098983 /nfs/dbraw/zinc/09/89/83/530098983.db2.gz WRVAZNLNJFRHJF-CYBMUJFWSA-N 1 2 390.487 -0.825 20 0 GBADLO CCN1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1=O ZINC000349623248 530098842 /nfs/dbraw/zinc/09/88/42/530098842.db2.gz WRVAZNLNJFRHJF-ZDUSSCGKSA-N 1 2 390.487 -0.825 20 0 GBADLO O=C1NCCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349623750 530098750 /nfs/dbraw/zinc/09/87/50/530098750.db2.gz XFUGEZODDJARDQ-CYBMUJFWSA-N 1 2 390.487 -0.777 20 0 GBADLO O=C1NCCCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349623751 530098912 /nfs/dbraw/zinc/09/89/12/530098912.db2.gz XFUGEZODDJARDQ-ZDUSSCGKSA-N 1 2 390.487 -0.777 20 0 GBADLO C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3nc[nH]n3)C[C@@H]2C1 ZINC000349624587 530098967 /nfs/dbraw/zinc/09/89/67/530098967.db2.gz UVYSEFLLJOQARX-TXEJJXNPSA-N 1 2 392.507 -0.850 20 0 GBADLO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3nc[nH]n3)C[C@@H]2C1 ZINC000349624587 530098966 /nfs/dbraw/zinc/09/89/66/530098966.db2.gz UVYSEFLLJOQARX-TXEJJXNPSA-N 1 2 392.507 -0.850 20 0 GBADLO C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3nnc[nH]3)C[C@@H]2C1 ZINC000349624587 530098965 /nfs/dbraw/zinc/09/89/65/530098965.db2.gz UVYSEFLLJOQARX-TXEJJXNPSA-N 1 2 392.507 -0.850 20 0 GBADLO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)Nc3nnc[nH]3)C[C@@H]2C1 ZINC000349624587 530098963 /nfs/dbraw/zinc/09/89/63/530098963.db2.gz UVYSEFLLJOQARX-TXEJJXNPSA-N 1 2 392.507 -0.850 20 0 GBADLO CN([C@@H]1COC[C@H]1O)S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349630657 530099036 /nfs/dbraw/zinc/09/90/36/530099036.db2.gz XUQGCBOFTXODMP-ZIAGYGMSSA-N 1 2 393.487 -0.953 20 0 GBADLO C[C@@H]1C(=O)N(C)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349630755 530371933 /nfs/dbraw/zinc/37/19/33/530371933.db2.gz YANHYCTZUIWGSW-GFCCVEGCSA-N 1 2 390.487 -0.525 20 0 GBADLO C[C@H]1C(=O)N(C)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349630756 530372131 /nfs/dbraw/zinc/37/21/31/530372131.db2.gz YANHYCTZUIWGSW-LBPRGKRZSA-N 1 2 390.487 -0.525 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCCS(=O)(=O)Nc2nnc[nH]2)CC[N@@H+]1C ZINC000349634226 530099279 /nfs/dbraw/zinc/09/92/79/530099279.db2.gz ZXTKHJLNIPEQLJ-NEPJUHHUSA-N 1 2 394.523 -0.319 20 0 GBADLO C[C@@H]1[C@H](C)N(S(=O)(=O)CCCCS(=O)(=O)Nc2nnc[nH]2)CC[N@H+]1C ZINC000349634226 530099278 /nfs/dbraw/zinc/09/92/78/530099278.db2.gz ZXTKHJLNIPEQLJ-NEPJUHHUSA-N 1 2 394.523 -0.319 20 0 GBADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349634227 530099260 /nfs/dbraw/zinc/09/92/60/530099260.db2.gz ZXTKHJLNIPEQLJ-NWDGAFQWSA-N 1 2 394.523 -0.319 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349634227 530099258 /nfs/dbraw/zinc/09/92/58/530099258.db2.gz ZXTKHJLNIPEQLJ-NWDGAFQWSA-N 1 2 394.523 -0.319 20 0 GBADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349634228 530099371 /nfs/dbraw/zinc/09/93/71/530099371.db2.gz ZXTKHJLNIPEQLJ-RYUDHWBXSA-N 1 2 394.523 -0.319 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349634228 530099370 /nfs/dbraw/zinc/09/93/70/530099370.db2.gz ZXTKHJLNIPEQLJ-RYUDHWBXSA-N 1 2 394.523 -0.319 20 0 GBADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349634229 530099500 /nfs/dbraw/zinc/09/95/00/530099500.db2.gz ZXTKHJLNIPEQLJ-VXGBXAGGSA-N 1 2 394.523 -0.319 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349634229 530099498 /nfs/dbraw/zinc/09/94/98/530099498.db2.gz ZXTKHJLNIPEQLJ-VXGBXAGGSA-N 1 2 394.523 -0.319 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000359867625 212120559 /nfs/dbraw/zinc/12/05/59/212120559.db2.gz JNKDIZJCQDHTJX-HNNXBMFYSA-N 1 2 395.547 -0.462 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000359867636 530347118 /nfs/dbraw/zinc/34/71/18/530347118.db2.gz JNKDIZJCQDHTJX-OAHLLOKOSA-N 1 2 395.547 -0.462 20 0 GBADLO Cn1cc([C@@H]([NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2)cn1 ZINC000359956319 1073950278 /nfs/dbraw/zinc/95/02/78/1073950278.db2.gz DOXYCFCYYKKORC-INIZCTEOSA-N 1 2 382.424 -0.038 20 0 GBADLO Cn1cc([C@H]([NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2)cn1 ZINC000359956320 209207860 /nfs/dbraw/zinc/20/78/60/209207860.db2.gz DOXYCFCYYKKORC-MRXNPFEDSA-N 1 2 382.424 -0.038 20 0 GBADLO O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000360024867 1073843346 /nfs/dbraw/zinc/84/33/46/1073843346.db2.gz WOGRCOLQIDMSCH-AWEZNQCLSA-N 1 2 385.428 -0.219 20 0 GBADLO O=C(Nc1ccc(-n2cncn2)nc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000360024868 1073843705 /nfs/dbraw/zinc/84/37/05/1073843705.db2.gz WOGRCOLQIDMSCH-CQSZACIVSA-N 1 2 385.428 -0.219 20 0 GBADLO Cn1cc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)c(=O)n(C)c1=O ZINC000360063418 1073843082 /nfs/dbraw/zinc/84/30/82/1073843082.db2.gz YUSUEBKHZAUCKL-UHFFFAOYSA-N 1 2 378.454 -0.134 20 0 GBADLO Cn1cc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)c(=O)n(C)c1=O ZINC000360063418 1073843073 /nfs/dbraw/zinc/84/30/73/1073843073.db2.gz YUSUEBKHZAUCKL-UHFFFAOYSA-N 1 2 378.454 -0.134 20 0 GBADLO CNS(=O)(=O)C1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000360095073 530302718 /nfs/dbraw/zinc/30/27/18/530302718.db2.gz DXJCUJLFGYBJCW-UHFFFAOYSA-N 1 2 376.523 -0.773 20 0 GBADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000360252682 1072999693 /nfs/dbraw/zinc/99/96/93/1072999693.db2.gz DATUGGZZLHSHQO-IRXDYDNUSA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000360252682 1072999686 /nfs/dbraw/zinc/99/96/86/1072999686.db2.gz DATUGGZZLHSHQO-IRXDYDNUSA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000360252683 1072999895 /nfs/dbraw/zinc/99/98/95/1072999895.db2.gz DATUGGZZLHSHQO-SJORKVTESA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000360252683 1072999889 /nfs/dbraw/zinc/99/98/89/1072999889.db2.gz DATUGGZZLHSHQO-SJORKVTESA-N 1 2 380.489 -0.173 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000360537620 530302791 /nfs/dbraw/zinc/30/27/91/530302791.db2.gz CXVPMJSCJNOFSG-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000360537620 530302788 /nfs/dbraw/zinc/30/27/88/530302788.db2.gz CXVPMJSCJNOFSG-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000360537621 530302859 /nfs/dbraw/zinc/30/28/59/530302859.db2.gz CXVPMJSCJNOFSG-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000360537621 530302857 /nfs/dbraw/zinc/30/28/57/530302857.db2.gz CXVPMJSCJNOFSG-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOCCS(=O)(=O)NCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000360914883 530303334 /nfs/dbraw/zinc/30/33/34/530303334.db2.gz XAJBQJMEKRGWNF-HNNXBMFYSA-N 1 2 395.547 -0.734 20 0 GBADLO CCOCCS(=O)(=O)NCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000360914884 530303110 /nfs/dbraw/zinc/30/31/10/530303110.db2.gz XAJBQJMEKRGWNF-OAHLLOKOSA-N 1 2 395.547 -0.734 20 0 GBADLO CCS(=O)(=O)NCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000361578490 530303799 /nfs/dbraw/zinc/30/37/99/530303799.db2.gz YPNUKKQOGHCOII-CQSZACIVSA-N 1 2 380.536 -0.567 20 0 GBADLO NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361911485 530303701 /nfs/dbraw/zinc/30/37/01/530303701.db2.gz WGWHJZOOOJKOJP-UHFFFAOYSA-N 1 2 389.499 -0.251 20 0 GBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000362200898 530303872 /nfs/dbraw/zinc/30/38/72/530303872.db2.gz URCBUQGBGBHATR-KBPBESRZSA-N 1 2 375.491 -0.894 20 0 GBADLO C[C@H](CCS(C)(=O)=O)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000362200899 530303552 /nfs/dbraw/zinc/30/35/52/530303552.db2.gz URCBUQGBGBHATR-KGLIPLIRSA-N 1 2 375.491 -0.894 20 0 GBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000362200900 530303666 /nfs/dbraw/zinc/30/36/66/530303666.db2.gz URCBUQGBGBHATR-UONOGXRCSA-N 1 2 375.491 -0.894 20 0 GBADLO C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000362200901 530303531 /nfs/dbraw/zinc/30/35/31/530303531.db2.gz URCBUQGBGBHATR-ZIAGYGMSSA-N 1 2 375.491 -0.894 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000362641834 530304279 /nfs/dbraw/zinc/30/42/79/530304279.db2.gz QSFBVODBTKGBOD-CYBMUJFWSA-N 1 2 375.491 -0.008 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000362641834 530304277 /nfs/dbraw/zinc/30/42/77/530304277.db2.gz QSFBVODBTKGBOD-CYBMUJFWSA-N 1 2 375.491 -0.008 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000362641835 530304067 /nfs/dbraw/zinc/30/40/67/530304067.db2.gz QSFBVODBTKGBOD-ZDUSSCGKSA-N 1 2 375.491 -0.008 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000362641835 530304064 /nfs/dbraw/zinc/30/40/64/530304064.db2.gz QSFBVODBTKGBOD-ZDUSSCGKSA-N 1 2 375.491 -0.008 20 0 GBADLO CCCCC[N@@H+](CCO)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000362684922 530304253 /nfs/dbraw/zinc/30/42/53/530304253.db2.gz JKXPQLPJCGAKRG-INIZCTEOSA-N 1 2 375.535 -0.198 20 0 GBADLO CCCCC[N@H+](CCO)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000362684922 530304251 /nfs/dbraw/zinc/30/42/51/530304251.db2.gz JKXPQLPJCGAKRG-INIZCTEOSA-N 1 2 375.535 -0.198 20 0 GBADLO CCCCC[N@@H+](CCO)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000362684923 530304075 /nfs/dbraw/zinc/30/40/75/530304075.db2.gz JKXPQLPJCGAKRG-MRXNPFEDSA-N 1 2 375.535 -0.198 20 0 GBADLO CCCCC[N@H+](CCO)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000362684923 530304072 /nfs/dbraw/zinc/30/40/72/530304072.db2.gz JKXPQLPJCGAKRG-MRXNPFEDSA-N 1 2 375.535 -0.198 20 0 GBADLO COCC[N@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)CC(C)C ZINC000362871750 530304101 /nfs/dbraw/zinc/30/41/01/530304101.db2.gz NVEUEHHEZLSJKM-INIZCTEOSA-N 1 2 375.535 -0.078 20 0 GBADLO COCC[N@@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)CC(C)C ZINC000362871750 530304099 /nfs/dbraw/zinc/30/40/99/530304099.db2.gz NVEUEHHEZLSJKM-INIZCTEOSA-N 1 2 375.535 -0.078 20 0 GBADLO COCC[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)CC(C)C ZINC000362871759 530304171 /nfs/dbraw/zinc/30/41/71/530304171.db2.gz NVEUEHHEZLSJKM-MRXNPFEDSA-N 1 2 375.535 -0.078 20 0 GBADLO COCC[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)CC(C)C ZINC000362871759 530304168 /nfs/dbraw/zinc/30/41/68/530304168.db2.gz NVEUEHHEZLSJKM-MRXNPFEDSA-N 1 2 375.535 -0.078 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000363051945 530304845 /nfs/dbraw/zinc/30/48/45/530304845.db2.gz NFZJVVDIPYNWQV-HNNXBMFYSA-N 1 2 375.491 -0.087 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000363051946 530304679 /nfs/dbraw/zinc/30/46/79/530304679.db2.gz NFZJVVDIPYNWQV-OAHLLOKOSA-N 1 2 375.491 -0.087 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2sc(S(N)(=O)=O)cc2C)CC1 ZINC000363075065 530304516 /nfs/dbraw/zinc/30/45/16/530304516.db2.gz HGAYVKWUWSJTRU-UHFFFAOYSA-N 1 2 388.515 -0.012 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sc(S(N)(=O)=O)cc2C)CC1 ZINC000363075065 530304513 /nfs/dbraw/zinc/30/45/13/530304513.db2.gz HGAYVKWUWSJTRU-UHFFFAOYSA-N 1 2 388.515 -0.012 20 0 GBADLO COCCN(CCOC)S(=O)(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000363093017 530304537 /nfs/dbraw/zinc/30/45/37/530304537.db2.gz TUMNPDDRYLXNQB-HNNXBMFYSA-N 1 2 397.563 -0.377 20 0 GBADLO COCCN(CCOC)S(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000363093018 530304759 /nfs/dbraw/zinc/30/47/59/530304759.db2.gz TUMNPDDRYLXNQB-OAHLLOKOSA-N 1 2 397.563 -0.377 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000363108109 530304705 /nfs/dbraw/zinc/30/47/05/530304705.db2.gz RBGKIQPYVRCUQZ-CYBMUJFWSA-N 1 2 376.479 -0.988 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000363108109 530304704 /nfs/dbraw/zinc/30/47/04/530304704.db2.gz RBGKIQPYVRCUQZ-CYBMUJFWSA-N 1 2 376.479 -0.988 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000363108110 530304486 /nfs/dbraw/zinc/30/44/86/530304486.db2.gz RBGKIQPYVRCUQZ-ZDUSSCGKSA-N 1 2 376.479 -0.988 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000363108110 530304483 /nfs/dbraw/zinc/30/44/83/530304483.db2.gz RBGKIQPYVRCUQZ-ZDUSSCGKSA-N 1 2 376.479 -0.988 20 0 GBADLO CCOC(=O)N1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000363118488 530304711 /nfs/dbraw/zinc/30/47/11/530304711.db2.gz YSAMUIPXFGGFIB-UHFFFAOYSA-N 1 2 378.495 -0.452 20 0 GBADLO CCOC(=O)N1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000363118488 530304709 /nfs/dbraw/zinc/30/47/09/530304709.db2.gz YSAMUIPXFGGFIB-UHFFFAOYSA-N 1 2 378.495 -0.452 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000363154179 530304572 /nfs/dbraw/zinc/30/45/72/530304572.db2.gz JOORQLBKEDUBHK-GFCCVEGCSA-N 1 2 388.515 -0.305 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000363154179 530304569 /nfs/dbraw/zinc/30/45/69/530304569.db2.gz JOORQLBKEDUBHK-GFCCVEGCSA-N 1 2 388.515 -0.305 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000363154180 530304738 /nfs/dbraw/zinc/30/47/38/530304738.db2.gz JOORQLBKEDUBHK-LBPRGKRZSA-N 1 2 388.515 -0.305 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000363154180 530304736 /nfs/dbraw/zinc/30/47/36/530304736.db2.gz JOORQLBKEDUBHK-LBPRGKRZSA-N 1 2 388.515 -0.305 20 0 GBADLO CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363218308 530305078 /nfs/dbraw/zinc/30/50/78/530305078.db2.gz HNCWSYABBXTMSL-INIZCTEOSA-N 1 2 375.535 -0.030 20 0 GBADLO CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363218308 530305077 /nfs/dbraw/zinc/30/50/77/530305077.db2.gz HNCWSYABBXTMSL-INIZCTEOSA-N 1 2 375.535 -0.030 20 0 GBADLO CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000363218308 530305076 /nfs/dbraw/zinc/30/50/76/530305076.db2.gz HNCWSYABBXTMSL-INIZCTEOSA-N 1 2 375.535 -0.030 20 0 GBADLO CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363218309 530305082 /nfs/dbraw/zinc/30/50/82/530305082.db2.gz HNCWSYABBXTMSL-MRXNPFEDSA-N 1 2 375.535 -0.030 20 0 GBADLO CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363218309 530305081 /nfs/dbraw/zinc/30/50/81/530305081.db2.gz HNCWSYABBXTMSL-MRXNPFEDSA-N 1 2 375.535 -0.030 20 0 GBADLO CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000363218309 530305080 /nfs/dbraw/zinc/30/50/80/530305080.db2.gz HNCWSYABBXTMSL-MRXNPFEDSA-N 1 2 375.535 -0.030 20 0 GBADLO NS(=O)(=O)N1CCC(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000363287003 530305000 /nfs/dbraw/zinc/30/50/00/530305000.db2.gz WWWBNCGYAOLBBW-HNNXBMFYSA-N 1 2 392.547 -0.774 20 0 GBADLO NS(=O)(=O)N1CCC(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000363287004 530305065 /nfs/dbraw/zinc/30/50/65/530305065.db2.gz WWWBNCGYAOLBBW-OAHLLOKOSA-N 1 2 392.547 -0.774 20 0 GBADLO CS(=O)(=O)CCOCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000363287476 530305339 /nfs/dbraw/zinc/30/53/39/530305339.db2.gz BBCKWVQQQYJZTA-HNNXBMFYSA-N 1 2 395.547 -0.445 20 0 GBADLO CS(=O)(=O)CCOCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000363287477 530305108 /nfs/dbraw/zinc/30/51/08/530305108.db2.gz BBCKWVQQQYJZTA-OAHLLOKOSA-N 1 2 395.547 -0.445 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC2(CC(=O)OC)CC2)CC1 ZINC000363315567 530304985 /nfs/dbraw/zinc/30/49/85/530304985.db2.gz XGOFEMTXCWYUFR-UHFFFAOYSA-N 1 2 375.491 -0.197 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC2(CC(=O)OC)CC2)CC1 ZINC000363315567 530304981 /nfs/dbraw/zinc/30/49/81/530304981.db2.gz XGOFEMTXCWYUFR-UHFFFAOYSA-N 1 2 375.491 -0.197 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000363340984 530076269 /nfs/dbraw/zinc/07/62/69/530076269.db2.gz CCSYKPKSGXMPMM-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000363340984 530076268 /nfs/dbraw/zinc/07/62/68/530076268.db2.gz CCSYKPKSGXMPMM-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000363361301 530078541 /nfs/dbraw/zinc/07/85/41/530078541.db2.gz RLAIWUSBODYNIY-HNNXBMFYSA-N 1 2 377.507 -0.346 20 0 GBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000363361302 530078558 /nfs/dbraw/zinc/07/85/58/530078558.db2.gz RLAIWUSBODYNIY-OAHLLOKOSA-N 1 2 377.507 -0.346 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)o1 ZINC000363380019 530081580 /nfs/dbraw/zinc/08/15/80/530081580.db2.gz BLNFPNBQMOXQKR-AWEZNQCLSA-N 1 2 375.472 -0.135 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)o1 ZINC000363380020 530081782 /nfs/dbraw/zinc/08/17/82/530081782.db2.gz BLNFPNBQMOXQKR-CQSZACIVSA-N 1 2 375.472 -0.135 20 0 GBADLO CS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000363380759 530082246 /nfs/dbraw/zinc/08/22/46/530082246.db2.gz QZMCLELQEYGDBH-HOCLYGCPSA-N 1 2 391.559 -0.018 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000363412072 530090825 /nfs/dbraw/zinc/09/08/25/530090825.db2.gz OFGZKEITWBYQHE-CYBMUJFWSA-N 1 2 375.491 -0.008 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000363412072 530090822 /nfs/dbraw/zinc/09/08/22/530090822.db2.gz OFGZKEITWBYQHE-CYBMUJFWSA-N 1 2 375.491 -0.008 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000363412079 530090901 /nfs/dbraw/zinc/09/09/01/530090901.db2.gz OFGZKEITWBYQHE-ZDUSSCGKSA-N 1 2 375.491 -0.008 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000363412079 530090899 /nfs/dbraw/zinc/09/08/99/530090899.db2.gz OFGZKEITWBYQHE-ZDUSSCGKSA-N 1 2 375.491 -0.008 20 0 GBADLO COC(=O)CC1(CS(=O)(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)CC1 ZINC000363429644 530091368 /nfs/dbraw/zinc/09/13/68/530091368.db2.gz OXJNIXLZLCFBMD-UHFFFAOYSA-N 1 2 375.491 -0.245 20 0 GBADLO COC(=O)CC1(CS(=O)(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)CC1 ZINC000363429644 530091364 /nfs/dbraw/zinc/09/13/64/530091364.db2.gz OXJNIXLZLCFBMD-UHFFFAOYSA-N 1 2 375.491 -0.245 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000363484814 1072385850 /nfs/dbraw/zinc/38/58/50/1072385850.db2.gz FIWIJTWYHZQFFT-GOEBONIOSA-N 1 2 399.513 -0.655 20 0 GBADLO C[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@@H](CO)C(C)(C)C ZINC000363486636 530107067 /nfs/dbraw/zinc/10/70/67/530107067.db2.gz BHZRQCCFDQVWSY-CABCVRRESA-N 1 2 375.535 -0.344 20 0 GBADLO C[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@@H](CO)C(C)(C)C ZINC000363486636 530107066 /nfs/dbraw/zinc/10/70/66/530107066.db2.gz BHZRQCCFDQVWSY-CABCVRRESA-N 1 2 375.535 -0.344 20 0 GBADLO C[N@@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@@H](CO)C(C)(C)C ZINC000363486637 530107104 /nfs/dbraw/zinc/10/71/04/530107104.db2.gz BHZRQCCFDQVWSY-GJZGRUSLSA-N 1 2 375.535 -0.344 20 0 GBADLO C[N@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@@H](CO)C(C)(C)C ZINC000363486637 530107102 /nfs/dbraw/zinc/10/71/02/530107102.db2.gz BHZRQCCFDQVWSY-GJZGRUSLSA-N 1 2 375.535 -0.344 20 0 GBADLO C[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H](CO)C(C)(C)C ZINC000363486638 530106980 /nfs/dbraw/zinc/10/69/80/530106980.db2.gz BHZRQCCFDQVWSY-HUUCEWRRSA-N 1 2 375.535 -0.344 20 0 GBADLO C[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H](CO)C(C)(C)C ZINC000363486638 530106978 /nfs/dbraw/zinc/10/69/78/530106978.db2.gz BHZRQCCFDQVWSY-HUUCEWRRSA-N 1 2 375.535 -0.344 20 0 GBADLO C[N@@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@H](CO)C(C)(C)C ZINC000363486639 530107207 /nfs/dbraw/zinc/10/72/07/530107207.db2.gz BHZRQCCFDQVWSY-LSDHHAIUSA-N 1 2 375.535 -0.344 20 0 GBADLO C[N@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@H](CO)C(C)(C)C ZINC000363486639 530107206 /nfs/dbraw/zinc/10/72/06/530107206.db2.gz BHZRQCCFDQVWSY-LSDHHAIUSA-N 1 2 375.535 -0.344 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000363536845 1072575629 /nfs/dbraw/zinc/57/56/29/1072575629.db2.gz SBSMXUZQVMSVAP-LSDHHAIUSA-N 1 2 396.517 -0.473 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000363536845 1072575624 /nfs/dbraw/zinc/57/56/24/1072575624.db2.gz SBSMXUZQVMSVAP-LSDHHAIUSA-N 1 2 396.517 -0.473 20 0 GBADLO CNS(=O)(=O)C1CC[NH+](CC(=O)NC2(C(=O)OC)CCCCC2)CC1 ZINC000363626367 530115670 /nfs/dbraw/zinc/11/56/70/530115670.db2.gz BIOBMGZDKLFIHT-UHFFFAOYSA-N 1 2 375.491 -0.008 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000363777497 530103589 /nfs/dbraw/zinc/10/35/89/530103589.db2.gz OLXISNUOTSBBGG-BFHYXJOUSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000363777497 530103587 /nfs/dbraw/zinc/10/35/87/530103587.db2.gz OLXISNUOTSBBGG-BFHYXJOUSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000363777504 530103620 /nfs/dbraw/zinc/10/36/20/530103620.db2.gz OLXISNUOTSBBGG-MCIONIFRSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000363777504 530103619 /nfs/dbraw/zinc/10/36/19/530103619.db2.gz OLXISNUOTSBBGG-MCIONIFRSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000363777506 530103631 /nfs/dbraw/zinc/10/36/31/530103631.db2.gz OLXISNUOTSBBGG-MGPQQGTHSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000363777506 530103630 /nfs/dbraw/zinc/10/36/30/530103630.db2.gz OLXISNUOTSBBGG-MGPQQGTHSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000363777511 530103516 /nfs/dbraw/zinc/10/35/16/530103516.db2.gz OLXISNUOTSBBGG-MJBXVCDLSA-N 1 2 375.491 -0.071 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000363777511 530103514 /nfs/dbraw/zinc/10/35/14/530103514.db2.gz OLXISNUOTSBBGG-MJBXVCDLSA-N 1 2 375.491 -0.071 20 0 GBADLO CN1C(=O)N[C@]2(CCC[C@H]2CNS(=O)(=O)CCC[NH+]2CCOCC2)C1=O ZINC000363802701 1073259363 /nfs/dbraw/zinc/25/93/63/1073259363.db2.gz PTHVWLXCVMIEHP-BBRMVZONSA-N 1 2 388.490 -0.651 20 0 GBADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNS(=O)(=O)CCC[NH+]2CCOCC2)C1=O ZINC000363802705 1073258866 /nfs/dbraw/zinc/25/88/66/1073258866.db2.gz PTHVWLXCVMIEHP-CJNGLKHVSA-N 1 2 388.490 -0.651 20 0 GBADLO CN1C(=O)N[C@@]2(CCC[C@@H]2CNS(=O)(=O)CCC[NH+]2CCOCC2)C1=O ZINC000363802708 1073259190 /nfs/dbraw/zinc/25/91/90/1073259190.db2.gz PTHVWLXCVMIEHP-CZUORRHYSA-N 1 2 388.490 -0.651 20 0 GBADLO CN1C(=O)N[C@@]2(CCC[C@H]2CNS(=O)(=O)CCC[NH+]2CCOCC2)C1=O ZINC000363802710 1073259269 /nfs/dbraw/zinc/25/92/69/1073259269.db2.gz PTHVWLXCVMIEHP-XJKSGUPXSA-N 1 2 388.490 -0.651 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000363815973 530142103 /nfs/dbraw/zinc/14/21/03/530142103.db2.gz JCOPOASMQPSNPQ-KBPBESRZSA-N 1 2 383.536 -0.512 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000363815981 530141915 /nfs/dbraw/zinc/14/19/15/530141915.db2.gz JCOPOASMQPSNPQ-KGLIPLIRSA-N 1 2 383.536 -0.512 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000363815985 530142010 /nfs/dbraw/zinc/14/20/10/530142010.db2.gz JCOPOASMQPSNPQ-UONOGXRCSA-N 1 2 383.536 -0.512 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000363815993 530142099 /nfs/dbraw/zinc/14/20/99/530142099.db2.gz JCOPOASMQPSNPQ-ZIAGYGMSSA-N 1 2 383.536 -0.512 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000363846650 1073271298 /nfs/dbraw/zinc/27/12/98/1073271298.db2.gz LTNASGOVFPHCJN-DLBZAZTESA-N 1 2 391.472 -0.089 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000363846663 1073271238 /nfs/dbraw/zinc/27/12/38/1073271238.db2.gz LTNASGOVFPHCJN-SJORKVTESA-N 1 2 391.472 -0.089 20 0 GBADLO C[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1nnnc1C(C)(C)C ZINC000363870618 1073277776 /nfs/dbraw/zinc/27/77/76/1073277776.db2.gz WDHFXHMBCJGWOG-KBPBESRZSA-N 1 2 393.492 -0.419 20 0 GBADLO C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1nnnc1C(C)(C)C ZINC000363870619 1073277358 /nfs/dbraw/zinc/27/73/58/1073277358.db2.gz WDHFXHMBCJGWOG-KGLIPLIRSA-N 1 2 393.492 -0.419 20 0 GBADLO C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1nnnc1C(C)(C)C ZINC000363870620 1073277809 /nfs/dbraw/zinc/27/78/09/1073277809.db2.gz WDHFXHMBCJGWOG-UONOGXRCSA-N 1 2 393.492 -0.419 20 0 GBADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1nnnc1C(C)(C)C ZINC000363870621 1073277703 /nfs/dbraw/zinc/27/77/03/1073277703.db2.gz WDHFXHMBCJGWOG-ZIAGYGMSSA-N 1 2 393.492 -0.419 20 0 GBADLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)nn1 ZINC000363909648 1073284961 /nfs/dbraw/zinc/28/49/61/1073284961.db2.gz OQLJAJKQOLCVQH-KBPBESRZSA-N 1 2 392.460 -0.171 20 0 GBADLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)nn1 ZINC000363909648 1073284957 /nfs/dbraw/zinc/28/49/57/1073284957.db2.gz OQLJAJKQOLCVQH-KBPBESRZSA-N 1 2 392.460 -0.171 20 0 GBADLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)nn1 ZINC000363909649 1073284728 /nfs/dbraw/zinc/28/47/28/1073284728.db2.gz OQLJAJKQOLCVQH-KGLIPLIRSA-N 1 2 392.460 -0.171 20 0 GBADLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)nn1 ZINC000363909649 1073284726 /nfs/dbraw/zinc/28/47/26/1073284726.db2.gz OQLJAJKQOLCVQH-KGLIPLIRSA-N 1 2 392.460 -0.171 20 0 GBADLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)nn1 ZINC000363909650 1073284985 /nfs/dbraw/zinc/28/49/85/1073284985.db2.gz OQLJAJKQOLCVQH-UONOGXRCSA-N 1 2 392.460 -0.171 20 0 GBADLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)nn1 ZINC000363909650 1073284981 /nfs/dbraw/zinc/28/49/81/1073284981.db2.gz OQLJAJKQOLCVQH-UONOGXRCSA-N 1 2 392.460 -0.171 20 0 GBADLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)nn1 ZINC000363909651 1073285010 /nfs/dbraw/zinc/28/50/10/1073285010.db2.gz OQLJAJKQOLCVQH-ZIAGYGMSSA-N 1 2 392.460 -0.171 20 0 GBADLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)nn1 ZINC000363909651 1073285006 /nfs/dbraw/zinc/28/50/06/1073285006.db2.gz OQLJAJKQOLCVQH-ZIAGYGMSSA-N 1 2 392.460 -0.171 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000363929252 1073287291 /nfs/dbraw/zinc/28/72/91/1073287291.db2.gz VCBLAHDZWNLPHV-IBGZPJMESA-N 1 2 378.473 -0.422 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000363929252 1073287285 /nfs/dbraw/zinc/28/72/85/1073287285.db2.gz VCBLAHDZWNLPHV-IBGZPJMESA-N 1 2 378.473 -0.422 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000363929254 1073287341 /nfs/dbraw/zinc/28/73/41/1073287341.db2.gz VCBLAHDZWNLPHV-LJQANCHMSA-N 1 2 378.473 -0.422 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000363929254 1073287337 /nfs/dbraw/zinc/28/73/37/1073287337.db2.gz VCBLAHDZWNLPHV-LJQANCHMSA-N 1 2 378.473 -0.422 20 0 GBADLO O=C(c1ccccn1)N1CC[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000363957338 1073291062 /nfs/dbraw/zinc/29/10/62/1073291062.db2.gz AZKZYEZYABWJCE-HNNXBMFYSA-N 1 2 382.486 -0.062 20 0 GBADLO O=C(c1ccccn1)N1CC[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000363957340 1073290853 /nfs/dbraw/zinc/29/08/53/1073290853.db2.gz AZKZYEZYABWJCE-OAHLLOKOSA-N 1 2 382.486 -0.062 20 0 GBADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 ZINC000363977747 1073292464 /nfs/dbraw/zinc/29/24/64/1073292464.db2.gz YBRUGPHMHNZYMK-FQEVSTJZSA-N 1 2 399.451 -0.601 20 0 GBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 ZINC000363977747 1073292460 /nfs/dbraw/zinc/29/24/60/1073292460.db2.gz YBRUGPHMHNZYMK-FQEVSTJZSA-N 1 2 399.451 -0.601 20 0 GBADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 ZINC000363977752 1073292425 /nfs/dbraw/zinc/29/24/25/1073292425.db2.gz YBRUGPHMHNZYMK-HXUWFJFHSA-N 1 2 399.451 -0.601 20 0 GBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 ZINC000363977752 1073292420 /nfs/dbraw/zinc/29/24/20/1073292420.db2.gz YBRUGPHMHNZYMK-HXUWFJFHSA-N 1 2 399.451 -0.601 20 0 GBADLO Cn1cnnc1C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000364008582 1073295575 /nfs/dbraw/zinc/29/55/75/1073295575.db2.gz HKCDZRNYPCIIPA-INIZCTEOSA-N 1 2 390.488 -0.298 20 0 GBADLO Cn1cnnc1C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000364008583 1073295038 /nfs/dbraw/zinc/29/50/38/1073295038.db2.gz HKCDZRNYPCIIPA-MRXNPFEDSA-N 1 2 390.488 -0.298 20 0 GBADLO CN1CC(=O)N(CCCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000364013697 1073297061 /nfs/dbraw/zinc/29/70/61/1073297061.db2.gz HKDOACKAEFTCGR-KRWDZBQOSA-N 1 2 384.502 -0.015 20 0 GBADLO CN1CC(=O)N(CCCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000364013699 1073296566 /nfs/dbraw/zinc/29/65/66/1073296566.db2.gz HKDOACKAEFTCGR-QGZVFWFLSA-N 1 2 384.502 -0.015 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCC[N@@H+](CC(=O)NC)CC2)C1 ZINC000364024474 1073297614 /nfs/dbraw/zinc/29/76/14/1073297614.db2.gz ABSKTPUYEQTMHM-CVEARBPZSA-N 1 2 382.505 -0.070 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCC[N@H+](CC(=O)NC)CC2)C1 ZINC000364024474 1073297611 /nfs/dbraw/zinc/29/76/11/1073297611.db2.gz ABSKTPUYEQTMHM-CVEARBPZSA-N 1 2 382.505 -0.070 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCC[N@@H+](CC(=O)NC)CC2)C1 ZINC000364024475 1073297697 /nfs/dbraw/zinc/29/76/97/1073297697.db2.gz ABSKTPUYEQTMHM-HOTGVXAUSA-N 1 2 382.505 -0.070 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCC[N@H+](CC(=O)NC)CC2)C1 ZINC000364024475 1073297692 /nfs/dbraw/zinc/29/76/92/1073297692.db2.gz ABSKTPUYEQTMHM-HOTGVXAUSA-N 1 2 382.505 -0.070 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCC[N@@H+](CC(=O)NC)CC2)C1 ZINC000364024476 1073297753 /nfs/dbraw/zinc/29/77/53/1073297753.db2.gz ABSKTPUYEQTMHM-HZPDHXFCSA-N 1 2 382.505 -0.070 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCC[N@H+](CC(=O)NC)CC2)C1 ZINC000364024476 1073297749 /nfs/dbraw/zinc/29/77/49/1073297749.db2.gz ABSKTPUYEQTMHM-HZPDHXFCSA-N 1 2 382.505 -0.070 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCC[N@@H+](CC(=O)NC)CC2)C1 ZINC000364024477 1073297574 /nfs/dbraw/zinc/29/75/74/1073297574.db2.gz ABSKTPUYEQTMHM-JKSUJKDBSA-N 1 2 382.505 -0.070 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCC[N@H+](CC(=O)NC)CC2)C1 ZINC000364024477 1073297569 /nfs/dbraw/zinc/29/75/69/1073297569.db2.gz ABSKTPUYEQTMHM-JKSUJKDBSA-N 1 2 382.505 -0.070 20 0 GBADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000364042071 1073300249 /nfs/dbraw/zinc/30/02/49/1073300249.db2.gz NWMFSUPZMKNQPV-HNNXBMFYSA-N 1 2 393.488 -0.136 20 0 GBADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000364042071 1073300234 /nfs/dbraw/zinc/30/02/34/1073300234.db2.gz NWMFSUPZMKNQPV-HNNXBMFYSA-N 1 2 393.488 -0.136 20 0 GBADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000364042072 1073300160 /nfs/dbraw/zinc/30/01/60/1073300160.db2.gz NWMFSUPZMKNQPV-OAHLLOKOSA-N 1 2 393.488 -0.136 20 0 GBADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCCCN3CCCCCC3=O)CCN2C1=O ZINC000364042072 1073300152 /nfs/dbraw/zinc/30/01/52/1073300152.db2.gz NWMFSUPZMKNQPV-OAHLLOKOSA-N 1 2 393.488 -0.136 20 0 GBADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NC3CCC4(CC3)OCCO4)CCN2C1=O ZINC000364042819 1073299045 /nfs/dbraw/zinc/29/90/45/1073299045.db2.gz RPTWRZKBKRVRHY-AWEZNQCLSA-N 1 2 380.445 -0.243 20 0 GBADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NC3CCC4(CC3)OCCO4)CCN2C1=O ZINC000364042819 1073299040 /nfs/dbraw/zinc/29/90/40/1073299040.db2.gz RPTWRZKBKRVRHY-AWEZNQCLSA-N 1 2 380.445 -0.243 20 0 GBADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NC3CCC4(CC3)OCCO4)CCN2C1=O ZINC000364042820 1073299444 /nfs/dbraw/zinc/29/94/44/1073299444.db2.gz RPTWRZKBKRVRHY-CQSZACIVSA-N 1 2 380.445 -0.243 20 0 GBADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NC3CCC4(CC3)OCCO4)CCN2C1=O ZINC000364042820 1073299436 /nfs/dbraw/zinc/29/94/36/1073299436.db2.gz RPTWRZKBKRVRHY-CQSZACIVSA-N 1 2 380.445 -0.243 20 0 GBADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000364043986 1073300061 /nfs/dbraw/zinc/30/00/61/1073300061.db2.gz VVJFRZCASXFCCS-AWEZNQCLSA-N 1 2 387.444 -0.907 20 0 GBADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000364043986 1073300057 /nfs/dbraw/zinc/30/00/57/1073300057.db2.gz VVJFRZCASXFCCS-AWEZNQCLSA-N 1 2 387.444 -0.907 20 0 GBADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000364043987 1073300401 /nfs/dbraw/zinc/30/04/01/1073300401.db2.gz VVJFRZCASXFCCS-CQSZACIVSA-N 1 2 387.444 -0.907 20 0 GBADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)CCN2C1=O ZINC000364043987 1073300395 /nfs/dbraw/zinc/30/03/95/1073300395.db2.gz VVJFRZCASXFCCS-CQSZACIVSA-N 1 2 387.444 -0.907 20 0 GBADLO O=C([C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)c2ccccc2O1)N1CCOCC1 ZINC000364060905 1073301983 /nfs/dbraw/zinc/30/19/83/1073301983.db2.gz SBSABWGRLKXYLB-APWZRJJASA-N 1 2 391.468 -0.194 20 0 GBADLO O=C([C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2O1)N1CCOCC1 ZINC000364060906 1073301906 /nfs/dbraw/zinc/30/19/06/1073301906.db2.gz SBSABWGRLKXYLB-LPHOPBHVSA-N 1 2 391.468 -0.194 20 0 GBADLO O=C([C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2O1)N1CCOCC1 ZINC000364060907 1073302173 /nfs/dbraw/zinc/30/21/73/1073302173.db2.gz SBSABWGRLKXYLB-QFBILLFUSA-N 1 2 391.468 -0.194 20 0 GBADLO O=C([C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)c2ccccc2O1)N1CCOCC1 ZINC000364060908 1073302056 /nfs/dbraw/zinc/30/20/56/1073302056.db2.gz SBSABWGRLKXYLB-VQIMIIECSA-N 1 2 391.468 -0.194 20 0 GBADLO Cn1c(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nnc1C1CCC1 ZINC000364079852 1073304099 /nfs/dbraw/zinc/30/40/99/1073304099.db2.gz BGBHXCXAQNRLNK-HNNXBMFYSA-N 1 2 390.488 -0.121 20 0 GBADLO Cn1c(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nnc1C1CCC1 ZINC000364079853 1073303842 /nfs/dbraw/zinc/30/38/42/1073303842.db2.gz BGBHXCXAQNRLNK-OAHLLOKOSA-N 1 2 390.488 -0.121 20 0 GBADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000364083667 1073305035 /nfs/dbraw/zinc/30/50/35/1073305035.db2.gz UPIJBVXIVVKVRA-ZDUSSCGKSA-N 1 2 398.485 -0.618 20 0 GBADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000364083667 1073305028 /nfs/dbraw/zinc/30/50/28/1073305028.db2.gz UPIJBVXIVVKVRA-ZDUSSCGKSA-N 1 2 398.485 -0.618 20 0 GBADLO NC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000364086234 530144802 /nfs/dbraw/zinc/14/48/02/530144802.db2.gz JGGOOQXQIJNKGQ-UHFFFAOYSA-N 1 2 394.906 -0.301 20 0 GBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000364086234 530144801 /nfs/dbraw/zinc/14/48/01/530144801.db2.gz JGGOOQXQIJNKGQ-UHFFFAOYSA-N 1 2 394.906 -0.301 20 0 GBADLO CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364125728 1073308485 /nfs/dbraw/zinc/30/84/85/1073308485.db2.gz GFGQQACKMSVLDO-KBPBESRZSA-N 1 2 384.502 -0.843 20 0 GBADLO CN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364125729 1073308803 /nfs/dbraw/zinc/30/88/03/1073308803.db2.gz GFGQQACKMSVLDO-KGLIPLIRSA-N 1 2 384.502 -0.843 20 0 GBADLO CN(C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364125730 1073308845 /nfs/dbraw/zinc/30/88/45/1073308845.db2.gz GFGQQACKMSVLDO-UONOGXRCSA-N 1 2 384.502 -0.843 20 0 GBADLO CN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364125731 1073308880 /nfs/dbraw/zinc/30/88/80/1073308880.db2.gz GFGQQACKMSVLDO-ZIAGYGMSSA-N 1 2 384.502 -0.843 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364164603 1073312435 /nfs/dbraw/zinc/31/24/35/1073312435.db2.gz BZVXMSRDGJDBBN-OAHLLOKOSA-N 1 2 398.485 -0.105 20 0 GBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c[nH]1 ZINC000364193630 1073318803 /nfs/dbraw/zinc/31/88/03/1073318803.db2.gz XIWRZGUFJXIDKP-GFCCVEGCSA-N 1 2 393.425 -0.533 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@H](c2ncon2)C1 ZINC000364268539 1073322585 /nfs/dbraw/zinc/32/25/85/1073322585.db2.gz FGUAKOGMAALHRD-KGLIPLIRSA-N 1 2 379.417 -0.850 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@@H](c2ncon2)C1 ZINC000364268540 1073323012 /nfs/dbraw/zinc/32/30/12/1073323012.db2.gz FGUAKOGMAALHRD-UONOGXRCSA-N 1 2 379.417 -0.850 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCO[C@@H](c2ncon2)C1 ZINC000364268541 1073323142 /nfs/dbraw/zinc/32/31/42/1073323142.db2.gz FGUAKOGMAALHRD-ZIAGYGMSSA-N 1 2 379.417 -0.850 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](CCO)CC3)CC2)cn1C ZINC000364284123 1073324441 /nfs/dbraw/zinc/32/44/41/1073324441.db2.gz IZQDWWADRUZGER-UHFFFAOYSA-N 1 2 399.517 -0.734 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000364289891 1073325597 /nfs/dbraw/zinc/32/55/97/1073325597.db2.gz LASSBGJCTCDGCU-KRWDZBQOSA-N 1 2 380.489 -0.316 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000364289891 1073325584 /nfs/dbraw/zinc/32/55/84/1073325584.db2.gz LASSBGJCTCDGCU-KRWDZBQOSA-N 1 2 380.489 -0.316 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000364289892 1073326013 /nfs/dbraw/zinc/32/60/13/1073326013.db2.gz LASSBGJCTCDGCU-QGZVFWFLSA-N 1 2 380.489 -0.316 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000364289892 1073326010 /nfs/dbraw/zinc/32/60/10/1073326010.db2.gz LASSBGJCTCDGCU-QGZVFWFLSA-N 1 2 380.489 -0.316 20 0 GBADLO CN1CCN(c2cc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)nc[nH+]2)CC1=O ZINC000364311713 1073327653 /nfs/dbraw/zinc/32/76/53/1073327653.db2.gz CYFZHEZGNDTDEJ-GOSISDBHSA-N 1 2 387.444 -0.431 20 0 GBADLO CN1CCN(c2cc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)[nH+]cn2)CC1=O ZINC000364311713 1073327644 /nfs/dbraw/zinc/32/76/44/1073327644.db2.gz CYFZHEZGNDTDEJ-GOSISDBHSA-N 1 2 387.444 -0.431 20 0 GBADLO CN1CCN(c2cc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)nc[nH+]2)CC1=O ZINC000364311714 1073327534 /nfs/dbraw/zinc/32/75/34/1073327534.db2.gz CYFZHEZGNDTDEJ-SFHVURJKSA-N 1 2 387.444 -0.431 20 0 GBADLO CN1CCN(c2cc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)[nH+]cn2)CC1=O ZINC000364311714 1073327531 /nfs/dbraw/zinc/32/75/31/1073327531.db2.gz CYFZHEZGNDTDEJ-SFHVURJKSA-N 1 2 387.444 -0.431 20 0 GBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000364346645 1073334621 /nfs/dbraw/zinc/33/46/21/1073334621.db2.gz ZZYNGOSBNVPVST-CYBMUJFWSA-N 1 2 382.490 -0.339 20 0 GBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000364346645 1073334617 /nfs/dbraw/zinc/33/46/17/1073334617.db2.gz ZZYNGOSBNVPVST-CYBMUJFWSA-N 1 2 382.490 -0.339 20 0 GBADLO CC(C)NS(=O)(=O)[C@H]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000364346646 1073334882 /nfs/dbraw/zinc/33/48/82/1073334882.db2.gz ZZYNGOSBNVPVST-ZDUSSCGKSA-N 1 2 382.490 -0.339 20 0 GBADLO CC(C)NS(=O)(=O)[C@H]1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000364346646 1073334879 /nfs/dbraw/zinc/33/48/79/1073334879.db2.gz ZZYNGOSBNVPVST-ZDUSSCGKSA-N 1 2 382.490 -0.339 20 0 GBADLO COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000364376646 530149175 /nfs/dbraw/zinc/14/91/75/530149175.db2.gz KSSZNQXNNDUBFG-AWEZNQCLSA-N 1 2 375.491 -0.245 20 0 GBADLO COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000364376646 530149174 /nfs/dbraw/zinc/14/91/74/530149174.db2.gz KSSZNQXNNDUBFG-AWEZNQCLSA-N 1 2 375.491 -0.245 20 0 GBADLO COC(=O)[C@H](C)CS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000364376647 530149038 /nfs/dbraw/zinc/14/90/38/530149038.db2.gz KSSZNQXNNDUBFG-CQSZACIVSA-N 1 2 375.491 -0.245 20 0 GBADLO COC(=O)[C@H](C)CS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000364376647 530149036 /nfs/dbraw/zinc/14/90/36/530149036.db2.gz KSSZNQXNNDUBFG-CQSZACIVSA-N 1 2 375.491 -0.245 20 0 GBADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000364402409 1073343054 /nfs/dbraw/zinc/34/30/54/1073343054.db2.gz YGEKGZMDQYNXHM-CYBMUJFWSA-N 1 2 397.476 -0.014 20 0 GBADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000364402409 1073343047 /nfs/dbraw/zinc/34/30/47/1073343047.db2.gz YGEKGZMDQYNXHM-CYBMUJFWSA-N 1 2 397.476 -0.014 20 0 GBADLO COCCNc1nc(N2C[C@@H](O)C3(CC3)C2)[nH+]c(N2C[C@@H](O)C3(CC3)C2)n1 ZINC000364416653 1073344488 /nfs/dbraw/zinc/34/44/88/1073344488.db2.gz NICVLHZCSRCBAQ-CHWSQXEVSA-N 1 2 376.461 -0.726 20 0 GBADLO NC(=O)[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000364427284 1073346310 /nfs/dbraw/zinc/34/63/10/1073346310.db2.gz HHSPYNRPZYUALU-CQSZACIVSA-N 1 2 390.444 -0.984 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000364431564 530150498 /nfs/dbraw/zinc/15/04/98/530150498.db2.gz AAAJZSIYMHNPIJ-CABCVRRESA-N 1 2 397.563 -0.169 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000364431565 530150355 /nfs/dbraw/zinc/15/03/55/530150355.db2.gz AAAJZSIYMHNPIJ-GJZGRUSLSA-N 1 2 397.563 -0.169 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000364431566 530150575 /nfs/dbraw/zinc/15/05/75/530150575.db2.gz AAAJZSIYMHNPIJ-HUUCEWRRSA-N 1 2 397.563 -0.169 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000364431567 530150363 /nfs/dbraw/zinc/15/03/63/530150363.db2.gz AAAJZSIYMHNPIJ-LSDHHAIUSA-N 1 2 397.563 -0.169 20 0 GBADLO Cn1c2[nH]c(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)nc2c(=O)n(C)c1=O ZINC000364457742 1073348316 /nfs/dbraw/zinc/34/83/16/1073348316.db2.gz QTMSFJDXYKLLRK-GFCCVEGCSA-N 1 2 390.444 -0.969 20 0 GBADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)nc2c(=O)n(C)c1=O ZINC000364457742 1073348313 /nfs/dbraw/zinc/34/83/13/1073348313.db2.gz QTMSFJDXYKLLRK-GFCCVEGCSA-N 1 2 390.444 -0.969 20 0 GBADLO CCN(C[C@@H](O)C(F)(F)F)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364460387 1073349168 /nfs/dbraw/zinc/34/91/68/1073349168.db2.gz HCUBKSQXNHPGSK-QWHCGFSZSA-N 1 2 381.395 -0.061 20 0 GBADLO CCN(C[C@H](O)C(F)(F)F)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364460388 1073349145 /nfs/dbraw/zinc/34/91/45/1073349145.db2.gz HCUBKSQXNHPGSK-STQMWFEESA-N 1 2 381.395 -0.061 20 0 GBADLO CCN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(C)(C)C1=O ZINC000364463277 1073349444 /nfs/dbraw/zinc/34/94/44/1073349444.db2.gz MXHKVBSGPQEQHN-HNNXBMFYSA-N 1 2 380.489 -0.364 20 0 GBADLO Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1F ZINC000364471545 1073349747 /nfs/dbraw/zinc/34/97/47/1073349747.db2.gz ZGHIJVHYHFGIFU-LLVKDONJSA-N 1 2 391.407 -0.427 20 0 GBADLO Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1F ZINC000364471545 1073349743 /nfs/dbraw/zinc/34/97/43/1073349743.db2.gz ZGHIJVHYHFGIFU-LLVKDONJSA-N 1 2 391.407 -0.427 20 0 GBADLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000364544148 530151159 /nfs/dbraw/zinc/15/11/59/530151159.db2.gz RZXCSEPTWHBKLL-UHFFFAOYSA-N 1 2 391.519 -0.527 20 0 GBADLO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000364614561 530150943 /nfs/dbraw/zinc/15/09/43/530150943.db2.gz FAQIEEJIPAGOGA-CYBMUJFWSA-N 1 2 378.495 -0.405 20 0 GBADLO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000364614561 530150941 /nfs/dbraw/zinc/15/09/41/530150941.db2.gz FAQIEEJIPAGOGA-CYBMUJFWSA-N 1 2 378.495 -0.405 20 0 GBADLO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000364614562 530151063 /nfs/dbraw/zinc/15/10/63/530151063.db2.gz FAQIEEJIPAGOGA-ZDUSSCGKSA-N 1 2 378.495 -0.405 20 0 GBADLO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000364614562 530151060 /nfs/dbraw/zinc/15/10/60/530151060.db2.gz FAQIEEJIPAGOGA-ZDUSSCGKSA-N 1 2 378.495 -0.405 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000364618187 530150980 /nfs/dbraw/zinc/15/09/80/530150980.db2.gz NQIYQCHXINUZJH-CYBMUJFWSA-N 1 2 379.479 -0.962 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000364618187 530150979 /nfs/dbraw/zinc/15/09/79/530150979.db2.gz NQIYQCHXINUZJH-CYBMUJFWSA-N 1 2 379.479 -0.962 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000364618188 530150988 /nfs/dbraw/zinc/15/09/88/530150988.db2.gz NQIYQCHXINUZJH-ZDUSSCGKSA-N 1 2 379.479 -0.962 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000364618188 530150986 /nfs/dbraw/zinc/15/09/86/530150986.db2.gz NQIYQCHXINUZJH-ZDUSSCGKSA-N 1 2 379.479 -0.962 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000364620476 530151050 /nfs/dbraw/zinc/15/10/50/530151050.db2.gz SYOQVXIZMLKHPK-HNNXBMFYSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000364620476 530151047 /nfs/dbraw/zinc/15/10/47/530151047.db2.gz SYOQVXIZMLKHPK-HNNXBMFYSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000364620477 530151007 /nfs/dbraw/zinc/15/10/07/530151007.db2.gz SYOQVXIZMLKHPK-OAHLLOKOSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000364620477 530151006 /nfs/dbraw/zinc/15/10/06/530151006.db2.gz SYOQVXIZMLKHPK-OAHLLOKOSA-N 1 2 377.507 -0.346 20 0 GBADLO O=C(C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)NC(=O)NCC(F)(F)F ZINC000364841158 530152899 /nfs/dbraw/zinc/15/28/99/530152899.db2.gz PTKNRYWFMXIPPJ-JTQLQIEISA-N 1 2 386.396 -0.126 20 0 GBADLO O=C(C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)NC(=O)NCC(F)(F)F ZINC000364841158 530152897 /nfs/dbraw/zinc/15/28/97/530152897.db2.gz PTKNRYWFMXIPPJ-JTQLQIEISA-N 1 2 386.396 -0.126 20 0 GBADLO O=C(C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)NC(=O)NCC(F)(F)F ZINC000364841159 530152892 /nfs/dbraw/zinc/15/28/92/530152892.db2.gz PTKNRYWFMXIPPJ-SNVBAGLBSA-N 1 2 386.396 -0.126 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)NC(=O)NCC(F)(F)F ZINC000364841159 530152889 /nfs/dbraw/zinc/15/28/89/530152889.db2.gz PTKNRYWFMXIPPJ-SNVBAGLBSA-N 1 2 386.396 -0.126 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000364842452 530152779 /nfs/dbraw/zinc/15/27/79/530152779.db2.gz FWTBTJHTACDARF-HNNXBMFYSA-N 1 2 397.563 -0.216 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000364842453 530153009 /nfs/dbraw/zinc/15/30/09/530153009.db2.gz FWTBTJHTACDARF-OAHLLOKOSA-N 1 2 397.563 -0.216 20 0 GBADLO CCCN1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000364845688 1073365894 /nfs/dbraw/zinc/36/58/94/1073365894.db2.gz XRTUQTKFBBRHSW-INIZCTEOSA-N 1 2 380.489 -0.362 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCCC[C@@]1(C)C(N)=O)S(C)(=O)=O ZINC000364942837 530153759 /nfs/dbraw/zinc/15/37/59/530153759.db2.gz ONZLIKSXLYQQHR-INIZCTEOSA-N 1 2 376.523 -0.107 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O)S(C)(=O)=O ZINC000364942837 530153757 /nfs/dbraw/zinc/15/37/57/530153757.db2.gz ONZLIKSXLYQQHR-INIZCTEOSA-N 1 2 376.523 -0.107 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O)S(C)(=O)=O ZINC000364942838 530153741 /nfs/dbraw/zinc/15/37/41/530153741.db2.gz ONZLIKSXLYQQHR-MRXNPFEDSA-N 1 2 376.523 -0.107 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O)S(C)(=O)=O ZINC000364942838 530153739 /nfs/dbraw/zinc/15/37/39/530153739.db2.gz ONZLIKSXLYQQHR-MRXNPFEDSA-N 1 2 376.523 -0.107 20 0 GBADLO CCOC1CC(CNC(=O)CN(C)S(=O)(=O)CC)([NH+]2CCOCC2)C1 ZINC000365046920 530168266 /nfs/dbraw/zinc/16/82/66/530168266.db2.gz RZNDOQFDMFRIPU-UHFFFAOYSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(n3cccn3)CC2)c(=O)[nH]c1=O ZINC000365161776 1073515298 /nfs/dbraw/zinc/51/52/98/1073515298.db2.gz YUXWSUPJMYJLLG-UHFFFAOYSA-N 1 2 376.417 -0.106 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000365218440 530193805 /nfs/dbraw/zinc/19/38/05/530193805.db2.gz ZPOGMKGMBSKFEK-CQSZACIVSA-N 1 2 390.487 -0.643 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000365270135 530194616 /nfs/dbraw/zinc/19/46/16/530194616.db2.gz IHNGCMNJBTZNCC-CYBMUJFWSA-N 1 2 376.479 -0.699 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000365270135 530194612 /nfs/dbraw/zinc/19/46/12/530194612.db2.gz IHNGCMNJBTZNCC-CYBMUJFWSA-N 1 2 376.479 -0.699 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000365270137 530194328 /nfs/dbraw/zinc/19/43/28/530194328.db2.gz IHNGCMNJBTZNCC-ZDUSSCGKSA-N 1 2 376.479 -0.699 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000365270137 530194325 /nfs/dbraw/zinc/19/43/25/530194325.db2.gz IHNGCMNJBTZNCC-ZDUSSCGKSA-N 1 2 376.479 -0.699 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000365271191 530194373 /nfs/dbraw/zinc/19/43/73/530194373.db2.gz BPFWOHSIBNHACL-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000365271191 530194369 /nfs/dbraw/zinc/19/43/69/530194369.db2.gz BPFWOHSIBNHACL-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000365271192 530194625 /nfs/dbraw/zinc/19/46/25/530194625.db2.gz BPFWOHSIBNHACL-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000365271192 530194622 /nfs/dbraw/zinc/19/46/22/530194622.db2.gz BPFWOHSIBNHACL-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000365377004 530195555 /nfs/dbraw/zinc/19/55/55/530195555.db2.gz GGTULVBDAVXDSN-AWEZNQCLSA-N 1 2 377.511 -0.675 20 0 GBADLO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000365377005 530195390 /nfs/dbraw/zinc/19/53/90/530195390.db2.gz GGTULVBDAVXDSN-CQSZACIVSA-N 1 2 377.511 -0.675 20 0 GBADLO CC(C)S(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000365660960 530198915 /nfs/dbraw/zinc/19/89/15/530198915.db2.gz IGAAXWGMWYEQCB-AWEZNQCLSA-N 1 2 375.491 -0.894 20 0 GBADLO CC(C)S(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000365660969 530199036 /nfs/dbraw/zinc/19/90/36/530199036.db2.gz IGAAXWGMWYEQCB-CQSZACIVSA-N 1 2 375.491 -0.894 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC1 ZINC000365794730 530199709 /nfs/dbraw/zinc/19/97/09/530199709.db2.gz KXCHZWJHPJMHNF-AWEZNQCLSA-N 1 2 376.523 -0.331 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC1 ZINC000365794730 530199706 /nfs/dbraw/zinc/19/97/06/530199706.db2.gz KXCHZWJHPJMHNF-AWEZNQCLSA-N 1 2 376.523 -0.331 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC1 ZINC000365794737 530199844 /nfs/dbraw/zinc/19/98/44/530199844.db2.gz KXCHZWJHPJMHNF-CQSZACIVSA-N 1 2 376.523 -0.331 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC1 ZINC000365794737 530199840 /nfs/dbraw/zinc/19/98/40/530199840.db2.gz KXCHZWJHPJMHNF-CQSZACIVSA-N 1 2 376.523 -0.331 20 0 GBADLO CCOC1CC(CNC(=O)N2CCO[C@H](C(=O)OC)C2)([NH+]2CCOCC2)C1 ZINC000365810975 1073691953 /nfs/dbraw/zinc/69/19/53/1073691953.db2.gz AJHXEAXRZQMOLM-CSLYMUCUSA-N 1 2 385.461 -0.160 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000365823486 530200669 /nfs/dbraw/zinc/20/06/69/530200669.db2.gz LPMMGQZDJFWLHX-HNNXBMFYSA-N 1 2 397.563 -0.358 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000365823487 530200860 /nfs/dbraw/zinc/20/08/60/530200860.db2.gz LPMMGQZDJFWLHX-OAHLLOKOSA-N 1 2 397.563 -0.358 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000365823495 530200920 /nfs/dbraw/zinc/20/09/20/530200920.db2.gz LQMDXCJSDFJLAV-UHFFFAOYSA-N 1 2 387.487 -0.032 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000365823586 530200602 /nfs/dbraw/zinc/20/06/02/530200602.db2.gz MGYIHXXLXWUPLM-UHFFFAOYSA-N 1 2 378.520 -0.037 20 0 GBADLO COCC[C@H]1COCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000365836097 530200437 /nfs/dbraw/zinc/20/04/37/530200437.db2.gz HGQZAZHBIIRVHS-HNNXBMFYSA-N 1 2 379.523 -0.100 20 0 GBADLO COCC[C@H]1COCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000365836097 530200435 /nfs/dbraw/zinc/20/04/35/530200435.db2.gz HGQZAZHBIIRVHS-HNNXBMFYSA-N 1 2 379.523 -0.100 20 0 GBADLO COCC[C@@H]1COCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000365836101 530200749 /nfs/dbraw/zinc/20/07/49/530200749.db2.gz HGQZAZHBIIRVHS-OAHLLOKOSA-N 1 2 379.523 -0.100 20 0 GBADLO COCC[C@@H]1COCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000365836101 530200746 /nfs/dbraw/zinc/20/07/46/530200746.db2.gz HGQZAZHBIIRVHS-OAHLLOKOSA-N 1 2 379.523 -0.100 20 0 GBADLO CC(=O)OCCCS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000365981939 530201280 /nfs/dbraw/zinc/20/12/80/530201280.db2.gz WWTRSBJMRYGPOE-UHFFFAOYSA-N 1 2 375.491 -0.101 20 0 GBADLO CC(=O)OCCCS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000365981939 530201279 /nfs/dbraw/zinc/20/12/79/530201279.db2.gz WWTRSBJMRYGPOE-UHFFFAOYSA-N 1 2 375.491 -0.101 20 0 GBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366016185 530201739 /nfs/dbraw/zinc/20/17/39/530201739.db2.gz WWLMLBOZLGSUGS-JTQLQIEISA-N 1 2 387.234 -0.356 20 0 GBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366016186 530201674 /nfs/dbraw/zinc/20/16/74/530201674.db2.gz WWLMLBOZLGSUGS-SNVBAGLBSA-N 1 2 387.234 -0.356 20 0 GBADLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)O2 ZINC000366096755 530202418 /nfs/dbraw/zinc/20/24/18/530202418.db2.gz SQVRAIIXMHKHPI-FMKPAKJESA-N 1 2 377.507 -0.348 20 0 GBADLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)O2 ZINC000366096755 530202416 /nfs/dbraw/zinc/20/24/16/530202416.db2.gz SQVRAIIXMHKHPI-FMKPAKJESA-N 1 2 377.507 -0.348 20 0 GBADLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)O2 ZINC000366096756 530202148 /nfs/dbraw/zinc/20/21/48/530202148.db2.gz SQVRAIIXMHKHPI-IIAWOOMASA-N 1 2 377.507 -0.348 20 0 GBADLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)O2 ZINC000366096756 530202146 /nfs/dbraw/zinc/20/21/46/530202146.db2.gz SQVRAIIXMHKHPI-IIAWOOMASA-N 1 2 377.507 -0.348 20 0 GBADLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)O2 ZINC000366096758 530202217 /nfs/dbraw/zinc/20/22/17/530202217.db2.gz SQVRAIIXMHKHPI-IJEWVQPXSA-N 1 2 377.507 -0.348 20 0 GBADLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)O2 ZINC000366096758 530202214 /nfs/dbraw/zinc/20/22/14/530202214.db2.gz SQVRAIIXMHKHPI-IJEWVQPXSA-N 1 2 377.507 -0.348 20 0 GBADLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)O2 ZINC000366096759 530202280 /nfs/dbraw/zinc/20/22/80/530202280.db2.gz SQVRAIIXMHKHPI-YCPHGPKFSA-N 1 2 377.507 -0.348 20 0 GBADLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](C)O2 ZINC000366096759 530202278 /nfs/dbraw/zinc/20/22/78/530202278.db2.gz SQVRAIIXMHKHPI-YCPHGPKFSA-N 1 2 377.507 -0.348 20 0 GBADLO CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000366103067 530202366 /nfs/dbraw/zinc/20/23/66/530202366.db2.gz IPNWRGFNKMASPP-AWEZNQCLSA-N 1 2 375.491 -0.054 20 0 GBADLO CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000366103067 530202365 /nfs/dbraw/zinc/20/23/65/530202365.db2.gz IPNWRGFNKMASPP-AWEZNQCLSA-N 1 2 375.491 -0.054 20 0 GBADLO CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000366103068 530202074 /nfs/dbraw/zinc/20/20/74/530202074.db2.gz IPNWRGFNKMASPP-CQSZACIVSA-N 1 2 375.491 -0.054 20 0 GBADLO CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000366103068 530202071 /nfs/dbraw/zinc/20/20/71/530202071.db2.gz IPNWRGFNKMASPP-CQSZACIVSA-N 1 2 375.491 -0.054 20 0 GBADLO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000366211276 530202913 /nfs/dbraw/zinc/20/29/13/530202913.db2.gz DYPGXBRIUFJPBP-CVEARBPZSA-N 1 2 377.507 -0.610 20 0 GBADLO CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000366211279 530202754 /nfs/dbraw/zinc/20/27/54/530202754.db2.gz DYPGXBRIUFJPBP-HOTGVXAUSA-N 1 2 377.507 -0.610 20 0 GBADLO CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000366211280 530202896 /nfs/dbraw/zinc/20/28/96/530202896.db2.gz DYPGXBRIUFJPBP-HZPDHXFCSA-N 1 2 377.507 -0.610 20 0 GBADLO CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000366211281 530202736 /nfs/dbraw/zinc/20/27/36/530202736.db2.gz DYPGXBRIUFJPBP-JKSUJKDBSA-N 1 2 377.507 -0.610 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000366212112 530202820 /nfs/dbraw/zinc/20/28/20/530202820.db2.gz UHOBZTYFTPOOSJ-CYBMUJFWSA-N 1 2 378.520 -0.056 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000366212116 530202825 /nfs/dbraw/zinc/20/28/25/530202825.db2.gz UHOBZTYFTPOOSJ-ZDUSSCGKSA-N 1 2 378.520 -0.056 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000366232350 530202814 /nfs/dbraw/zinc/20/28/14/530202814.db2.gz FVMULJCSFIVJAN-AWEZNQCLSA-N 1 2 397.563 -0.121 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000366232351 530202780 /nfs/dbraw/zinc/20/27/80/530202780.db2.gz FVMULJCSFIVJAN-CQSZACIVSA-N 1 2 397.563 -0.121 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cn1 ZINC000366424152 530204298 /nfs/dbraw/zinc/20/42/98/530204298.db2.gz GSYMIBWUHYRWDQ-CYBMUJFWSA-N 1 2 378.520 -0.012 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cn1 ZINC000366424152 530204296 /nfs/dbraw/zinc/20/42/96/530204296.db2.gz GSYMIBWUHYRWDQ-CYBMUJFWSA-N 1 2 378.520 -0.012 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)cn1 ZINC000366424153 530204225 /nfs/dbraw/zinc/20/42/25/530204225.db2.gz GSYMIBWUHYRWDQ-ZDUSSCGKSA-N 1 2 378.520 -0.012 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cn1 ZINC000366424153 530204224 /nfs/dbraw/zinc/20/42/24/530204224.db2.gz GSYMIBWUHYRWDQ-ZDUSSCGKSA-N 1 2 378.520 -0.012 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O)S(C)(=O)=O ZINC000366446840 530204793 /nfs/dbraw/zinc/20/47/93/530204793.db2.gz YGOYPHGEHANOAF-AWEZNQCLSA-N 1 2 397.563 -0.327 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O)S(C)(=O)=O ZINC000366446840 530204791 /nfs/dbraw/zinc/20/47/91/530204791.db2.gz YGOYPHGEHANOAF-AWEZNQCLSA-N 1 2 397.563 -0.327 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O)S(C)(=O)=O ZINC000366446853 530204676 /nfs/dbraw/zinc/20/46/76/530204676.db2.gz YGOYPHGEHANOAF-CQSZACIVSA-N 1 2 397.563 -0.327 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O)S(C)(=O)=O ZINC000366446853 530204675 /nfs/dbraw/zinc/20/46/75/530204675.db2.gz YGOYPHGEHANOAF-CQSZACIVSA-N 1 2 397.563 -0.327 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000366480427 530204681 /nfs/dbraw/zinc/20/46/81/530204681.db2.gz PQLOVGDAKRNVMY-AWEZNQCLSA-N 1 2 376.523 -0.379 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000366480427 530204680 /nfs/dbraw/zinc/20/46/80/530204680.db2.gz PQLOVGDAKRNVMY-AWEZNQCLSA-N 1 2 376.523 -0.379 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000366480428 530204707 /nfs/dbraw/zinc/20/47/07/530204707.db2.gz PQLOVGDAKRNVMY-CQSZACIVSA-N 1 2 376.523 -0.379 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000366480428 530204706 /nfs/dbraw/zinc/20/47/06/530204706.db2.gz PQLOVGDAKRNVMY-CQSZACIVSA-N 1 2 376.523 -0.379 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000366481980 530204920 /nfs/dbraw/zinc/20/49/20/530204920.db2.gz UXTWCAXQVZLAGQ-AWEZNQCLSA-N 1 2 376.523 -0.427 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000366481980 530204918 /nfs/dbraw/zinc/20/49/18/530204918.db2.gz UXTWCAXQVZLAGQ-AWEZNQCLSA-N 1 2 376.523 -0.427 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000366481982 530204928 /nfs/dbraw/zinc/20/49/28/530204928.db2.gz UXTWCAXQVZLAGQ-CQSZACIVSA-N 1 2 376.523 -0.427 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000366481982 530204926 /nfs/dbraw/zinc/20/49/26/530204926.db2.gz UXTWCAXQVZLAGQ-CQSZACIVSA-N 1 2 376.523 -0.427 20 0 GBADLO CCOC1CC(CNC(=O)NCC(=O)NCC(F)F)([NH+]2CCOCC2)C1 ZINC000366583140 1072620133 /nfs/dbraw/zinc/62/01/33/1072620133.db2.gz CPJACGGGMJYGKB-UHFFFAOYSA-N 1 2 378.420 -0.063 20 0 GBADLO COC(=O)CCNC(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000366645351 1072751816 /nfs/dbraw/zinc/75/18/16/1072751816.db2.gz TZYTUIBKTJVLIE-HNNXBMFYSA-N 1 2 388.428 -0.074 20 0 GBADLO COC(=O)CCNC(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000366645351 1072751805 /nfs/dbraw/zinc/75/18/05/1072751805.db2.gz TZYTUIBKTJVLIE-HNNXBMFYSA-N 1 2 388.428 -0.074 20 0 GBADLO COC(=O)CCNC(=O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000366645352 1072752064 /nfs/dbraw/zinc/75/20/64/1072752064.db2.gz TZYTUIBKTJVLIE-OAHLLOKOSA-N 1 2 388.428 -0.074 20 0 GBADLO COC(=O)CCNC(=O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000366645352 1072752056 /nfs/dbraw/zinc/75/20/56/1072752056.db2.gz TZYTUIBKTJVLIE-OAHLLOKOSA-N 1 2 388.428 -0.074 20 0 GBADLO O=C(Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)N1CCNC(=O)C1 ZINC000366646038 1072753115 /nfs/dbraw/zinc/75/31/15/1072753115.db2.gz VGKAHAIZKNGOGK-HNNXBMFYSA-N 1 2 385.428 -0.795 20 0 GBADLO O=C(Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)N1CCNC(=O)C1 ZINC000366646038 1072753111 /nfs/dbraw/zinc/75/31/11/1072753111.db2.gz VGKAHAIZKNGOGK-HNNXBMFYSA-N 1 2 385.428 -0.795 20 0 GBADLO O=C(Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)N1CCNC(=O)C1 ZINC000366646039 1072753126 /nfs/dbraw/zinc/75/31/26/1072753126.db2.gz VGKAHAIZKNGOGK-OAHLLOKOSA-N 1 2 385.428 -0.795 20 0 GBADLO O=C(Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1)N1CCNC(=O)C1 ZINC000366646039 1072753122 /nfs/dbraw/zinc/75/31/22/1072753122.db2.gz VGKAHAIZKNGOGK-OAHLLOKOSA-N 1 2 385.428 -0.795 20 0 GBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)C2=O)c1 ZINC000366647255 1072754585 /nfs/dbraw/zinc/75/45/85/1072754585.db2.gz WYIHARXOVHDXFN-KBXCAEBGSA-N 1 2 388.424 -0.050 20 0 GBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@H](O)C4(CC4)C3)C2=O)c1 ZINC000366647255 1072754581 /nfs/dbraw/zinc/75/45/81/1072754581.db2.gz WYIHARXOVHDXFN-KBXCAEBGSA-N 1 2 388.424 -0.050 20 0 GBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)C2=O)c1 ZINC000366647256 1072754340 /nfs/dbraw/zinc/75/43/40/1072754340.db2.gz WYIHARXOVHDXFN-KDOFPFPSSA-N 1 2 388.424 -0.050 20 0 GBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@@H](O)C4(CC4)C3)C2=O)c1 ZINC000366647256 1072754331 /nfs/dbraw/zinc/75/43/31/1072754331.db2.gz WYIHARXOVHDXFN-KDOFPFPSSA-N 1 2 388.424 -0.050 20 0 GBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)C2=O)c1 ZINC000366647257 1072754655 /nfs/dbraw/zinc/75/46/55/1072754655.db2.gz WYIHARXOVHDXFN-KSSFIOAISA-N 1 2 388.424 -0.050 20 0 GBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@H](O)C4(CC4)C3)C2=O)c1 ZINC000366647257 1072754650 /nfs/dbraw/zinc/75/46/50/1072754650.db2.gz WYIHARXOVHDXFN-KSSFIOAISA-N 1 2 388.424 -0.050 20 0 GBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)C2=O)c1 ZINC000366647261 1072754760 /nfs/dbraw/zinc/75/47/60/1072754760.db2.gz WYIHARXOVHDXFN-RDTXWAMCSA-N 1 2 388.424 -0.050 20 0 GBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@@H](O)C4(CC4)C3)C2=O)c1 ZINC000366647261 1072754753 /nfs/dbraw/zinc/75/47/53/1072754753.db2.gz WYIHARXOVHDXFN-RDTXWAMCSA-N 1 2 388.424 -0.050 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000366652351 530254366 /nfs/dbraw/zinc/25/43/66/530254366.db2.gz KOTKTAQDFMBNMK-GWCFXTLKSA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000366652351 530254364 /nfs/dbraw/zinc/25/43/64/530254364.db2.gz KOTKTAQDFMBNMK-GWCFXTLKSA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000366652352 530254243 /nfs/dbraw/zinc/25/42/43/530254243.db2.gz KOTKTAQDFMBNMK-GXFFZTMASA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000366652352 530254242 /nfs/dbraw/zinc/25/42/42/530254242.db2.gz KOTKTAQDFMBNMK-GXFFZTMASA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000366652353 530254052 /nfs/dbraw/zinc/25/40/52/530254052.db2.gz KOTKTAQDFMBNMK-MFKMUULPSA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000366652353 530254050 /nfs/dbraw/zinc/25/40/50/530254050.db2.gz KOTKTAQDFMBNMK-MFKMUULPSA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000366652354 530254376 /nfs/dbraw/zinc/25/43/76/530254376.db2.gz KOTKTAQDFMBNMK-ZWNOBZJWSA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000366652354 530254375 /nfs/dbraw/zinc/25/43/75/530254375.db2.gz KOTKTAQDFMBNMK-ZWNOBZJWSA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000366653046 1072764263 /nfs/dbraw/zinc/76/42/63/1072764263.db2.gz MAAPCDIJFBNVPX-HNNXBMFYSA-N 1 2 382.486 -0.486 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000366653046 1072764256 /nfs/dbraw/zinc/76/42/56/1072764256.db2.gz MAAPCDIJFBNVPX-HNNXBMFYSA-N 1 2 382.486 -0.486 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000366653049 1072764352 /nfs/dbraw/zinc/76/43/52/1072764352.db2.gz MAAPCDIJFBNVPX-OAHLLOKOSA-N 1 2 382.486 -0.486 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000366653049 1072764339 /nfs/dbraw/zinc/76/43/39/1072764339.db2.gz MAAPCDIJFBNVPX-OAHLLOKOSA-N 1 2 382.486 -0.486 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000366655842 530254539 /nfs/dbraw/zinc/25/45/39/530254539.db2.gz RGEAMXBFSIZVCO-GWCFXTLKSA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000366655842 530254538 /nfs/dbraw/zinc/25/45/38/530254538.db2.gz RGEAMXBFSIZVCO-GWCFXTLKSA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000366655843 530254725 /nfs/dbraw/zinc/25/47/25/530254725.db2.gz RGEAMXBFSIZVCO-GXFFZTMASA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000366655843 530254723 /nfs/dbraw/zinc/25/47/23/530254723.db2.gz RGEAMXBFSIZVCO-GXFFZTMASA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000366655844 530254625 /nfs/dbraw/zinc/25/46/25/530254625.db2.gz RGEAMXBFSIZVCO-MFKMUULPSA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000366655844 530254622 /nfs/dbraw/zinc/25/46/22/530254622.db2.gz RGEAMXBFSIZVCO-MFKMUULPSA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000366655845 530254779 /nfs/dbraw/zinc/25/47/79/530254779.db2.gz RGEAMXBFSIZVCO-ZWNOBZJWSA-N 1 2 390.487 -0.716 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000366655845 530254777 /nfs/dbraw/zinc/25/47/77/530254777.db2.gz RGEAMXBFSIZVCO-ZWNOBZJWSA-N 1 2 390.487 -0.716 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(F)(F)C[C@@H]2CO)CC1 ZINC000366663684 1072811717 /nfs/dbraw/zinc/81/17/17/1072811717.db2.gz NPLJLCNNEGCSAG-GFCCVEGCSA-N 1 2 395.414 -0.286 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(F)(F)C[C@H]2CO)CC1 ZINC000366663685 1072811678 /nfs/dbraw/zinc/81/16/78/1072811678.db2.gz NPLJLCNNEGCSAG-LBPRGKRZSA-N 1 2 395.414 -0.286 20 0 GBADLO COCCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000366732320 530270380 /nfs/dbraw/zinc/27/03/80/530270380.db2.gz WFPUDDCEHBYMMM-HZSPNIEDSA-N 1 2 376.475 -0.611 20 0 GBADLO COCCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000366732320 530270377 /nfs/dbraw/zinc/27/03/77/530270377.db2.gz WFPUDDCEHBYMMM-HZSPNIEDSA-N 1 2 376.475 -0.611 20 0 GBADLO COCCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000366732321 530270323 /nfs/dbraw/zinc/27/03/23/530270323.db2.gz WFPUDDCEHBYMMM-MGPQQGTHSA-N 1 2 376.475 -0.611 20 0 GBADLO COCCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000366732321 530270322 /nfs/dbraw/zinc/27/03/22/530270322.db2.gz WFPUDDCEHBYMMM-MGPQQGTHSA-N 1 2 376.475 -0.611 20 0 GBADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]2C1 ZINC000366840439 530283703 /nfs/dbraw/zinc/28/37/03/530283703.db2.gz NUTMXKXOTDOWBI-ILXRZTDVSA-N 1 2 377.507 -0.348 20 0 GBADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]2C1 ZINC000366840439 530283701 /nfs/dbraw/zinc/28/37/01/530283701.db2.gz NUTMXKXOTDOWBI-ILXRZTDVSA-N 1 2 377.507 -0.348 20 0 GBADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]2C1 ZINC000366840440 530283402 /nfs/dbraw/zinc/28/34/02/530283402.db2.gz NUTMXKXOTDOWBI-KFWWJZLASA-N 1 2 377.507 -0.348 20 0 GBADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]2C1 ZINC000366840440 530283401 /nfs/dbraw/zinc/28/34/01/530283401.db2.gz NUTMXKXOTDOWBI-KFWWJZLASA-N 1 2 377.507 -0.348 20 0 GBADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]2C1 ZINC000366840441 530283525 /nfs/dbraw/zinc/28/35/25/530283525.db2.gz NUTMXKXOTDOWBI-QLFBSQMISA-N 1 2 377.507 -0.348 20 0 GBADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]2C1 ZINC000366840441 530283523 /nfs/dbraw/zinc/28/35/23/530283523.db2.gz NUTMXKXOTDOWBI-QLFBSQMISA-N 1 2 377.507 -0.348 20 0 GBADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]2C1 ZINC000366840442 530283695 /nfs/dbraw/zinc/28/36/95/530283695.db2.gz NUTMXKXOTDOWBI-RBSFLKMASA-N 1 2 377.507 -0.348 20 0 GBADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]2C1 ZINC000366840442 530283694 /nfs/dbraw/zinc/28/36/94/530283694.db2.gz NUTMXKXOTDOWBI-RBSFLKMASA-N 1 2 377.507 -0.348 20 0 GBADLO NS(=O)(=O)c1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)co1 ZINC000366920922 530283645 /nfs/dbraw/zinc/28/36/45/530283645.db2.gz HKXFMUCGZXCMGU-AWEZNQCLSA-N 1 2 375.472 -0.135 20 0 GBADLO NS(=O)(=O)c1cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)co1 ZINC000366920923 530283679 /nfs/dbraw/zinc/28/36/79/530283679.db2.gz HKXFMUCGZXCMGU-CQSZACIVSA-N 1 2 375.472 -0.135 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000367032850 530283825 /nfs/dbraw/zinc/28/38/25/530283825.db2.gz DQIPOXPUPJQKIJ-UHFFFAOYSA-N 1 2 395.547 -0.462 20 0 GBADLO CCOC(=O)CN(C)C(=O)C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000367087891 530284866 /nfs/dbraw/zinc/28/48/66/530284866.db2.gz ZNFIZQHYXNSJPV-UHFFFAOYSA-N 1 2 375.491 -0.102 20 0 GBADLO COCCCS(=O)(=O)NCC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000367094754 530284669 /nfs/dbraw/zinc/28/46/69/530284669.db2.gz QXDDZWNPGWRTAA-UHFFFAOYSA-N 1 2 397.563 -0.168 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000367222684 1073574798 /nfs/dbraw/zinc/57/47/98/1073574798.db2.gz BRPKPGWUUFDQDE-HNNXBMFYSA-N 1 2 387.550 -0.168 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000367222685 1073575480 /nfs/dbraw/zinc/57/54/80/1073575480.db2.gz BRPKPGWUUFDQDE-OAHLLOKOSA-N 1 2 387.550 -0.168 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000367232595 1073577130 /nfs/dbraw/zinc/57/71/30/1073577130.db2.gz WCYPEDJNJBGOEZ-HNNXBMFYSA-N 1 2 380.470 -0.168 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000367232596 1073577456 /nfs/dbraw/zinc/57/74/56/1073577456.db2.gz WCYPEDJNJBGOEZ-OAHLLOKOSA-N 1 2 380.470 -0.168 20 0 GBADLO O=S(=O)(N1CCC[C@H]1C[NH+]1CCOCC1)N1CCC2(CC1)OCCO2 ZINC000367261836 530302068 /nfs/dbraw/zinc/30/20/68/530302068.db2.gz FKZDBUKQUOCFNN-HNNXBMFYSA-N 1 2 375.491 -0.133 20 0 GBADLO O=S(=O)(N1CCC[C@@H]1C[NH+]1CCOCC1)N1CCC2(CC1)OCCO2 ZINC000367261837 530302239 /nfs/dbraw/zinc/30/22/39/530302239.db2.gz FKZDBUKQUOCFNN-OAHLLOKOSA-N 1 2 375.491 -0.133 20 0 GBADLO CC(C)Nc1nc(N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)nc(NCCO)[nH+]1 ZINC000367326669 1073609359 /nfs/dbraw/zinc/60/93/59/1073609359.db2.gz LSFDTWXSFAPPDN-HUUCEWRRSA-N 1 2 390.492 -0.234 20 0 GBADLO CC(C)Nc1nc(N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)nc(NCCO)[nH+]1 ZINC000367326670 1073609222 /nfs/dbraw/zinc/60/92/22/1073609222.db2.gz LSFDTWXSFAPPDN-LSDHHAIUSA-N 1 2 390.492 -0.234 20 0 GBADLO CC(C)Nc1nc(N2CCC(N3CCCNC3=O)CC2)nc(NCCO)[nH+]1 ZINC000367339127 1073612835 /nfs/dbraw/zinc/61/28/35/1073612835.db2.gz IXSZUKQBLVCBSS-UHFFFAOYSA-N 1 2 378.481 -0.676 20 0 GBADLO COC(=O)N1CCC(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000367340608 1073613782 /nfs/dbraw/zinc/61/37/82/1073613782.db2.gz ZDDUOGMMBPPWEN-INIZCTEOSA-N 1 2 396.488 -0.238 20 0 GBADLO COC(=O)N1CCC(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000367340609 1073614048 /nfs/dbraw/zinc/61/40/48/1073614048.db2.gz ZDDUOGMMBPPWEN-MRXNPFEDSA-N 1 2 396.488 -0.238 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc(C2OCCO2)s1 ZINC000367389440 1073651295 /nfs/dbraw/zinc/65/12/95/1073651295.db2.gz VCEBEPMABZHWGI-GFCCVEGCSA-N 1 2 396.469 -0.149 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc(C2OCCO2)s1 ZINC000367389441 1073651063 /nfs/dbraw/zinc/65/10/63/1073651063.db2.gz VCEBEPMABZHWGI-LBPRGKRZSA-N 1 2 396.469 -0.149 20 0 GBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[NH2+]C[C@@H]3C(F)F)cnc21 ZINC000367468717 530305454 /nfs/dbraw/zinc/30/54/54/530305454.db2.gz CMJWVJQAWLKKAZ-SECBINFHSA-N 1 2 375.357 -0.738 20 0 GBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[NH2+]C[C@H]3C(F)F)cnc21 ZINC000367468718 530305706 /nfs/dbraw/zinc/30/57/06/530305706.db2.gz CMJWVJQAWLKKAZ-VIFPVBQESA-N 1 2 375.357 -0.738 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000367509625 530305682 /nfs/dbraw/zinc/30/56/82/530305682.db2.gz HCDATGAVSUNXAB-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000367509625 530305681 /nfs/dbraw/zinc/30/56/81/530305681.db2.gz HCDATGAVSUNXAB-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000367509626 530305639 /nfs/dbraw/zinc/30/56/39/530305639.db2.gz HCDATGAVSUNXAB-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000367509626 530305637 /nfs/dbraw/zinc/30/56/37/530305637.db2.gz HCDATGAVSUNXAB-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(=O)OCC)C2)C1 ZINC000367511018 530305793 /nfs/dbraw/zinc/30/57/93/530305793.db2.gz VREVXAOZBYGMON-KBPBESRZSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(=O)OCC)C2)C1 ZINC000367511018 530305791 /nfs/dbraw/zinc/30/57/91/530305791.db2.gz VREVXAOZBYGMON-KBPBESRZSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000367511019 530305473 /nfs/dbraw/zinc/30/54/73/530305473.db2.gz VREVXAOZBYGMON-KGLIPLIRSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000367511019 530305472 /nfs/dbraw/zinc/30/54/72/530305472.db2.gz VREVXAOZBYGMON-KGLIPLIRSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(=O)OCC)C2)C1 ZINC000367511020 530305767 /nfs/dbraw/zinc/30/57/67/530305767.db2.gz VREVXAOZBYGMON-UONOGXRCSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(=O)OCC)C2)C1 ZINC000367511020 530305766 /nfs/dbraw/zinc/30/57/66/530305766.db2.gz VREVXAOZBYGMON-UONOGXRCSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000367511021 530305762 /nfs/dbraw/zinc/30/57/62/530305762.db2.gz VREVXAOZBYGMON-ZIAGYGMSSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000367511021 530305760 /nfs/dbraw/zinc/30/57/60/530305760.db2.gz VREVXAOZBYGMON-ZIAGYGMSSA-N 1 2 375.491 -0.198 20 0 GBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367742213 530305869 /nfs/dbraw/zinc/30/58/69/530305869.db2.gz SWGNXGXFNIUDQG-CABCVRRESA-N 1 2 377.507 -0.348 20 0 GBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367742214 530306025 /nfs/dbraw/zinc/30/60/25/530306025.db2.gz SWGNXGXFNIUDQG-GJZGRUSLSA-N 1 2 377.507 -0.348 20 0 GBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367742215 530305925 /nfs/dbraw/zinc/30/59/25/530305925.db2.gz SWGNXGXFNIUDQG-HUUCEWRRSA-N 1 2 377.507 -0.348 20 0 GBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367742216 530306085 /nfs/dbraw/zinc/30/60/85/530306085.db2.gz SWGNXGXFNIUDQG-LSDHHAIUSA-N 1 2 377.507 -0.348 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](CS(C)(=O)=O)C1)S(C)(=O)=O ZINC000367871956 530306158 /nfs/dbraw/zinc/30/61/58/530306158.db2.gz DFRNLIAJUSPVAI-AWEZNQCLSA-N 1 2 397.563 -0.471 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1)S(C)(=O)=O ZINC000367871956 530306157 /nfs/dbraw/zinc/30/61/57/530306157.db2.gz DFRNLIAJUSPVAI-AWEZNQCLSA-N 1 2 397.563 -0.471 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1)S(C)(=O)=O ZINC000367871957 530306150 /nfs/dbraw/zinc/30/61/50/530306150.db2.gz DFRNLIAJUSPVAI-CQSZACIVSA-N 1 2 397.563 -0.471 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1)S(C)(=O)=O ZINC000367871957 530306148 /nfs/dbraw/zinc/30/61/48/530306148.db2.gz DFRNLIAJUSPVAI-CQSZACIVSA-N 1 2 397.563 -0.471 20 0 GBADLO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367884815 530075102 /nfs/dbraw/zinc/07/51/02/530075102.db2.gz INPCWUVIVGVSDH-GFCCVEGCSA-N 1 2 383.442 -0.166 20 0 GBADLO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367884822 530075421 /nfs/dbraw/zinc/07/54/21/530075421.db2.gz INPCWUVIVGVSDH-LBPRGKRZSA-N 1 2 383.442 -0.166 20 0 GBADLO O=S(=O)(N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCC2(CC1)OCCO2 ZINC000367931111 530306124 /nfs/dbraw/zinc/30/61/24/530306124.db2.gz OOVOBDVGVNWJHH-CABCVRRESA-N 1 2 375.491 -0.399 20 0 GBADLO O=S(=O)(N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCC2(CC1)OCCO2 ZINC000367931118 530306110 /nfs/dbraw/zinc/30/61/10/530306110.db2.gz OOVOBDVGVNWJHH-GJZGRUSLSA-N 1 2 375.491 -0.399 20 0 GBADLO O=S(=O)(N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCC2(CC1)OCCO2 ZINC000367931119 530306479 /nfs/dbraw/zinc/30/64/79/530306479.db2.gz OOVOBDVGVNWJHH-HUUCEWRRSA-N 1 2 375.491 -0.399 20 0 GBADLO O=S(=O)(N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCC2(CC1)OCCO2 ZINC000367931121 530306388 /nfs/dbraw/zinc/30/63/88/530306388.db2.gz OOVOBDVGVNWJHH-LSDHHAIUSA-N 1 2 375.491 -0.399 20 0 GBADLO CNC(=O)CN1CCC[N@@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000368008790 530306351 /nfs/dbraw/zinc/30/63/51/530306351.db2.gz VBAPRJMFVUUIBH-UHFFFAOYSA-N 1 2 377.507 -0.503 20 0 GBADLO CNC(=O)CN1CCC[N@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000368008790 530306349 /nfs/dbraw/zinc/30/63/49/530306349.db2.gz VBAPRJMFVUUIBH-UHFFFAOYSA-N 1 2 377.507 -0.503 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000368027391 530099856 /nfs/dbraw/zinc/09/98/56/530099856.db2.gz VTGKWSDJVUVNLI-UHFFFAOYSA-N 1 2 378.495 -0.742 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000368027391 530099854 /nfs/dbraw/zinc/09/98/54/530099854.db2.gz VTGKWSDJVUVNLI-UHFFFAOYSA-N 1 2 378.495 -0.742 20 0 GBADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368074533 530306468 /nfs/dbraw/zinc/30/64/68/530306468.db2.gz IQNITQIOMMAXMN-AWEZNQCLSA-N 1 2 375.491 -0.008 20 0 GBADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368074533 530306467 /nfs/dbraw/zinc/30/64/67/530306467.db2.gz IQNITQIOMMAXMN-AWEZNQCLSA-N 1 2 375.491 -0.008 20 0 GBADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368074534 530306338 /nfs/dbraw/zinc/30/63/38/530306338.db2.gz IQNITQIOMMAXMN-CQSZACIVSA-N 1 2 375.491 -0.008 20 0 GBADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368074534 530306336 /nfs/dbraw/zinc/30/63/36/530306336.db2.gz IQNITQIOMMAXMN-CQSZACIVSA-N 1 2 375.491 -0.008 20 0 GBADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368075560 530306502 /nfs/dbraw/zinc/30/65/02/530306502.db2.gz MBLIBNKWGRILBT-GXTWGEPZSA-N 1 2 375.491 -0.010 20 0 GBADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368075560 530306499 /nfs/dbraw/zinc/30/64/99/530306499.db2.gz MBLIBNKWGRILBT-GXTWGEPZSA-N 1 2 375.491 -0.010 20 0 GBADLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368075561 530306462 /nfs/dbraw/zinc/30/64/62/530306462.db2.gz MBLIBNKWGRILBT-JSGCOSHPSA-N 1 2 375.491 -0.010 20 0 GBADLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368075561 530306461 /nfs/dbraw/zinc/30/64/61/530306461.db2.gz MBLIBNKWGRILBT-JSGCOSHPSA-N 1 2 375.491 -0.010 20 0 GBADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368075562 530306410 /nfs/dbraw/zinc/30/64/10/530306410.db2.gz MBLIBNKWGRILBT-OCCSQVGLSA-N 1 2 375.491 -0.010 20 0 GBADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368075562 530306409 /nfs/dbraw/zinc/30/64/09/530306409.db2.gz MBLIBNKWGRILBT-OCCSQVGLSA-N 1 2 375.491 -0.010 20 0 GBADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368075563 530306534 /nfs/dbraw/zinc/30/65/34/530306534.db2.gz MBLIBNKWGRILBT-TZMCWYRMSA-N 1 2 375.491 -0.010 20 0 GBADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000368075563 530306532 /nfs/dbraw/zinc/30/65/32/530306532.db2.gz MBLIBNKWGRILBT-TZMCWYRMSA-N 1 2 375.491 -0.010 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000368093259 530306573 /nfs/dbraw/zinc/30/65/73/530306573.db2.gz PUHAKEALOFRPRE-UHFFFAOYSA-N 1 2 389.400 -0.811 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000368093259 530306570 /nfs/dbraw/zinc/30/65/70/530306570.db2.gz PUHAKEALOFRPRE-UHFFFAOYSA-N 1 2 389.400 -0.811 20 0 GBADLO CCOC(=O)CN(C)C(=O)C[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000368392068 530306900 /nfs/dbraw/zinc/30/69/00/530306900.db2.gz ZSFWCKQVKIGFNB-UHFFFAOYSA-N 1 2 375.491 -0.797 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000368495296 530307412 /nfs/dbraw/zinc/30/74/12/530307412.db2.gz UENXYEZDFFJRNL-INIZCTEOSA-N 1 2 393.575 -0.164 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000368495297 530307113 /nfs/dbraw/zinc/30/71/13/530307113.db2.gz UENXYEZDFFJRNL-MRXNPFEDSA-N 1 2 393.575 -0.164 20 0 GBADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000368513338 530307218 /nfs/dbraw/zinc/30/72/18/530307218.db2.gz CXMVXFRLGKUYGN-AWEZNQCLSA-N 1 2 375.491 -0.292 20 0 GBADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000368513338 530307216 /nfs/dbraw/zinc/30/72/16/530307216.db2.gz CXMVXFRLGKUYGN-AWEZNQCLSA-N 1 2 375.491 -0.292 20 0 GBADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000368513339 530307225 /nfs/dbraw/zinc/30/72/25/530307225.db2.gz CXMVXFRLGKUYGN-CQSZACIVSA-N 1 2 375.491 -0.292 20 0 GBADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC3(CC2)OCCO3)C1 ZINC000368513339 530307223 /nfs/dbraw/zinc/30/72/23/530307223.db2.gz CXMVXFRLGKUYGN-CQSZACIVSA-N 1 2 375.491 -0.292 20 0 GBADLO COCCCS(=O)(=O)NCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000368556061 530143539 /nfs/dbraw/zinc/14/35/39/530143539.db2.gz LEEICXXLHOTIPW-HNNXBMFYSA-N 1 2 395.547 -0.734 20 0 GBADLO COCCCS(=O)(=O)NCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000368556062 530143480 /nfs/dbraw/zinc/14/34/80/530143480.db2.gz LEEICXXLHOTIPW-OAHLLOKOSA-N 1 2 395.547 -0.734 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000368649640 530307591 /nfs/dbraw/zinc/30/75/91/530307591.db2.gz HLFPVXJBJVOMRB-UHFFFAOYSA-N 1 2 395.547 -0.415 20 0 GBADLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000368661273 530148430 /nfs/dbraw/zinc/14/84/30/530148430.db2.gz XTYHOTGFJPEXMK-UHFFFAOYSA-N 1 2 376.523 -0.426 20 0 GBADLO CC(C)C(=O)N1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000368661273 530148428 /nfs/dbraw/zinc/14/84/28/530148428.db2.gz XTYHOTGFJPEXMK-UHFFFAOYSA-N 1 2 376.523 -0.426 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000368681009 530307836 /nfs/dbraw/zinc/30/78/36/530307836.db2.gz SKPBORFPJGBBOL-GWCFXTLKSA-N 1 2 390.487 -0.586 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000368681009 530307834 /nfs/dbraw/zinc/30/78/34/530307834.db2.gz SKPBORFPJGBBOL-GWCFXTLKSA-N 1 2 390.487 -0.586 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368681010 530307839 /nfs/dbraw/zinc/30/78/39/530307839.db2.gz SKPBORFPJGBBOL-GXFFZTMASA-N 1 2 390.487 -0.586 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368681010 530307838 /nfs/dbraw/zinc/30/78/38/530307838.db2.gz SKPBORFPJGBBOL-GXFFZTMASA-N 1 2 390.487 -0.586 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000368681011 530307500 /nfs/dbraw/zinc/30/75/00/530307500.db2.gz SKPBORFPJGBBOL-MFKMUULPSA-N 1 2 390.487 -0.586 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000368681011 530307498 /nfs/dbraw/zinc/30/74/98/530307498.db2.gz SKPBORFPJGBBOL-MFKMUULPSA-N 1 2 390.487 -0.586 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368681012 530307518 /nfs/dbraw/zinc/30/75/18/530307518.db2.gz SKPBORFPJGBBOL-ZWNOBZJWSA-N 1 2 390.487 -0.586 20 0 GBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368681012 530307515 /nfs/dbraw/zinc/30/75/15/530307515.db2.gz SKPBORFPJGBBOL-ZWNOBZJWSA-N 1 2 390.487 -0.586 20 0 GBADLO COC(=O)C1(NC(=O)C[N@H+]2CCCN(S(C)(=O)=O)CC2)CCCCC1 ZINC000368750803 530307586 /nfs/dbraw/zinc/30/75/86/530307586.db2.gz LXRRCJOOFIHQNT-UHFFFAOYSA-N 1 2 375.491 -0.054 20 0 GBADLO COC(=O)C1(NC(=O)C[N@@H+]2CCCN(S(C)(=O)=O)CC2)CCCCC1 ZINC000368750803 530307584 /nfs/dbraw/zinc/30/75/84/530307584.db2.gz LXRRCJOOFIHQNT-UHFFFAOYSA-N 1 2 375.491 -0.054 20 0 GBADLO CC[N@@H+](CCC(=O)OC)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000368812181 530307624 /nfs/dbraw/zinc/30/76/24/530307624.db2.gz IZPWRUBQXDVOIZ-AWEZNQCLSA-N 1 2 375.491 -0.797 20 0 GBADLO CC[N@H+](CCC(=O)OC)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000368812181 530307623 /nfs/dbraw/zinc/30/76/23/530307623.db2.gz IZPWRUBQXDVOIZ-AWEZNQCLSA-N 1 2 375.491 -0.797 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000368829696 530307884 /nfs/dbraw/zinc/30/78/84/530307884.db2.gz MCMIDUYMHGTRQZ-UHFFFAOYSA-N 1 2 385.262 -0.109 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000368829696 530307881 /nfs/dbraw/zinc/30/78/81/530307881.db2.gz MCMIDUYMHGTRQZ-UHFFFAOYSA-N 1 2 385.262 -0.109 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000368830296 530307723 /nfs/dbraw/zinc/30/77/23/530307723.db2.gz PNUHRHGFPVEVJN-UHFFFAOYSA-N 1 2 388.515 -0.303 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000368830296 530307722 /nfs/dbraw/zinc/30/77/22/530307722.db2.gz PNUHRHGFPVEVJN-UHFFFAOYSA-N 1 2 388.515 -0.303 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000368830693 530307758 /nfs/dbraw/zinc/30/77/58/530307758.db2.gz RTFNZGNYYJRMMF-UHFFFAOYSA-N 1 2 396.249 -0.219 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000368830693 530307757 /nfs/dbraw/zinc/30/77/57/530307757.db2.gz RTFNZGNYYJRMMF-UHFFFAOYSA-N 1 2 396.249 -0.219 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O)S(C)(=O)=O ZINC000369035211 530308131 /nfs/dbraw/zinc/30/81/31/530308131.db2.gz DAMPTCCIZHMIMN-AWEZNQCLSA-N 1 2 376.523 -0.237 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+](C)[C@H]1CCCCNC1=O)S(C)(=O)=O ZINC000369035211 530308130 /nfs/dbraw/zinc/30/81/30/530308130.db2.gz DAMPTCCIZHMIMN-AWEZNQCLSA-N 1 2 376.523 -0.237 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O)S(C)(=O)=O ZINC000369035212 530308072 /nfs/dbraw/zinc/30/80/72/530308072.db2.gz DAMPTCCIZHMIMN-CQSZACIVSA-N 1 2 376.523 -0.237 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O)S(C)(=O)=O ZINC000369035212 530308070 /nfs/dbraw/zinc/30/80/70/530308070.db2.gz DAMPTCCIZHMIMN-CQSZACIVSA-N 1 2 376.523 -0.237 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000369288273 530308189 /nfs/dbraw/zinc/30/81/89/530308189.db2.gz PDTBUOCOAMHSRS-GXTWGEPZSA-N 1 2 375.491 -0.200 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000369288273 530308187 /nfs/dbraw/zinc/30/81/87/530308187.db2.gz PDTBUOCOAMHSRS-GXTWGEPZSA-N 1 2 375.491 -0.200 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000369288274 530308104 /nfs/dbraw/zinc/30/81/04/530308104.db2.gz PDTBUOCOAMHSRS-JSGCOSHPSA-N 1 2 375.491 -0.200 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000369288274 530308102 /nfs/dbraw/zinc/30/81/02/530308102.db2.gz PDTBUOCOAMHSRS-JSGCOSHPSA-N 1 2 375.491 -0.200 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000369288275 530308361 /nfs/dbraw/zinc/30/83/61/530308361.db2.gz PDTBUOCOAMHSRS-OCCSQVGLSA-N 1 2 375.491 -0.200 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000369288275 530308359 /nfs/dbraw/zinc/30/83/59/530308359.db2.gz PDTBUOCOAMHSRS-OCCSQVGLSA-N 1 2 375.491 -0.200 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000369288276 530197252 /nfs/dbraw/zinc/19/72/52/530197252.db2.gz PDTBUOCOAMHSRS-TZMCWYRMSA-N 1 2 375.491 -0.200 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000369288276 530197250 /nfs/dbraw/zinc/19/72/50/530197250.db2.gz PDTBUOCOAMHSRS-TZMCWYRMSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000369289253 530308875 /nfs/dbraw/zinc/30/88/75/530308875.db2.gz YPESYQGQECPMET-KBPBESRZSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000369289253 530308873 /nfs/dbraw/zinc/30/88/73/530308873.db2.gz YPESYQGQECPMET-KBPBESRZSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000369289254 530308898 /nfs/dbraw/zinc/30/88/98/530308898.db2.gz YPESYQGQECPMET-KGLIPLIRSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000369289254 530308897 /nfs/dbraw/zinc/30/88/97/530308897.db2.gz YPESYQGQECPMET-KGLIPLIRSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000369289255 530308798 /nfs/dbraw/zinc/30/87/98/530308798.db2.gz YPESYQGQECPMET-UONOGXRCSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000369289255 530308796 /nfs/dbraw/zinc/30/87/96/530308796.db2.gz YPESYQGQECPMET-UONOGXRCSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000369289256 530308599 /nfs/dbraw/zinc/30/85/99/530308599.db2.gz YPESYQGQECPMET-ZIAGYGMSSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000369289256 530308597 /nfs/dbraw/zinc/30/85/97/530308597.db2.gz YPESYQGQECPMET-ZIAGYGMSSA-N 1 2 375.491 -0.056 20 0 GBADLO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000369312616 530308695 /nfs/dbraw/zinc/30/86/95/530308695.db2.gz QQQBPSVXAXCTTE-CYBMUJFWSA-N 1 2 375.491 -0.056 20 0 GBADLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000369312616 530308693 /nfs/dbraw/zinc/30/86/93/530308693.db2.gz QQQBPSVXAXCTTE-CYBMUJFWSA-N 1 2 375.491 -0.056 20 0 GBADLO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000369312617 530308579 /nfs/dbraw/zinc/30/85/79/530308579.db2.gz QQQBPSVXAXCTTE-ZDUSSCGKSA-N 1 2 375.491 -0.056 20 0 GBADLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000369312617 530308577 /nfs/dbraw/zinc/30/85/77/530308577.db2.gz QQQBPSVXAXCTTE-ZDUSSCGKSA-N 1 2 375.491 -0.056 20 0 GBADLO O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000369349604 530308853 /nfs/dbraw/zinc/30/88/53/530308853.db2.gz ZZBMNJJDHBZWLW-CABCVRRESA-N 1 2 391.559 -0.571 20 0 GBADLO O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000369349605 530308837 /nfs/dbraw/zinc/30/88/37/530308837.db2.gz ZZBMNJJDHBZWLW-GJZGRUSLSA-N 1 2 391.559 -0.571 20 0 GBADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000369349606 530308786 /nfs/dbraw/zinc/30/87/86/530308786.db2.gz ZZBMNJJDHBZWLW-HUUCEWRRSA-N 1 2 391.559 -0.571 20 0 GBADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000369349607 530308510 /nfs/dbraw/zinc/30/85/10/530308510.db2.gz ZZBMNJJDHBZWLW-LSDHHAIUSA-N 1 2 391.559 -0.571 20 0 GBADLO C[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2(CCOCC2)O1 ZINC000369379964 530308502 /nfs/dbraw/zinc/30/85/02/530308502.db2.gz QDEVXCQPRITEPU-AWEZNQCLSA-N 1 2 377.507 -0.346 20 0 GBADLO C[C@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2(CCOCC2)O1 ZINC000369379964 530308500 /nfs/dbraw/zinc/30/85/00/530308500.db2.gz QDEVXCQPRITEPU-AWEZNQCLSA-N 1 2 377.507 -0.346 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2(CCOCC2)O1 ZINC000369379965 530308589 /nfs/dbraw/zinc/30/85/89/530308589.db2.gz QDEVXCQPRITEPU-CQSZACIVSA-N 1 2 377.507 -0.346 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2(CCOCC2)O1 ZINC000369379965 530308587 /nfs/dbraw/zinc/30/85/87/530308587.db2.gz QDEVXCQPRITEPU-CQSZACIVSA-N 1 2 377.507 -0.346 20 0 GBADLO COC(=O)CCCS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000369445211 530308819 /nfs/dbraw/zinc/30/88/19/530308819.db2.gz HXAWHMUXEHXVAY-UHFFFAOYSA-N 1 2 375.491 -0.101 20 0 GBADLO COC(=O)CCCS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000369445211 530308817 /nfs/dbraw/zinc/30/88/17/530308817.db2.gz HXAWHMUXEHXVAY-UHFFFAOYSA-N 1 2 375.491 -0.101 20 0 GBADLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000369452715 1073710965 /nfs/dbraw/zinc/71/09/65/1073710965.db2.gz QGRFPJOOGHHADQ-CYBMUJFWSA-N 1 2 386.460 -0.778 20 0 GBADLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000369452715 1073710958 /nfs/dbraw/zinc/71/09/58/1073710958.db2.gz QGRFPJOOGHHADQ-CYBMUJFWSA-N 1 2 386.460 -0.778 20 0 GBADLO COC(=O)[C@]12CN(S(=O)(=O)CCC[NH+]3CCOCC3)C[C@H]1COCC2 ZINC000369536687 530309103 /nfs/dbraw/zinc/30/91/03/530309103.db2.gz JXOOOACKUVTATO-GOEBONIOSA-N 1 2 376.475 -0.450 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@]2(CCCOC2)O1 ZINC000369553498 530253561 /nfs/dbraw/zinc/25/35/61/530253561.db2.gz USMJJJZYVAQXMB-GDBMZVCRSA-N 1 2 377.507 -0.346 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@]2(CCCOC2)O1 ZINC000369553498 530253560 /nfs/dbraw/zinc/25/35/60/530253560.db2.gz USMJJJZYVAQXMB-GDBMZVCRSA-N 1 2 377.507 -0.346 20 0 GBADLO C[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@]2(CCCOC2)O1 ZINC000369553499 530253535 /nfs/dbraw/zinc/25/35/35/530253535.db2.gz USMJJJZYVAQXMB-GOEBONIOSA-N 1 2 377.507 -0.346 20 0 GBADLO C[C@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@]2(CCCOC2)O1 ZINC000369553499 530253534 /nfs/dbraw/zinc/25/35/34/530253534.db2.gz USMJJJZYVAQXMB-GOEBONIOSA-N 1 2 377.507 -0.346 20 0 GBADLO C[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@]2(CCCOC2)O1 ZINC000369553500 530253468 /nfs/dbraw/zinc/25/34/68/530253468.db2.gz USMJJJZYVAQXMB-HOCLYGCPSA-N 1 2 377.507 -0.346 20 0 GBADLO C[C@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@]2(CCCOC2)O1 ZINC000369553500 530253465 /nfs/dbraw/zinc/25/34/65/530253465.db2.gz USMJJJZYVAQXMB-HOCLYGCPSA-N 1 2 377.507 -0.346 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@]2(CCCOC2)O1 ZINC000369553501 530253545 /nfs/dbraw/zinc/25/35/45/530253545.db2.gz USMJJJZYVAQXMB-ZBFHGGJFSA-N 1 2 377.507 -0.346 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@]2(CCCOC2)O1 ZINC000369553501 530253544 /nfs/dbraw/zinc/25/35/44/530253544.db2.gz USMJJJZYVAQXMB-ZBFHGGJFSA-N 1 2 377.507 -0.346 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)cn1 ZINC000369825669 530309845 /nfs/dbraw/zinc/30/98/45/530309845.db2.gz YKPQXQPZEMZNCD-AWEZNQCLSA-N 1 2 387.531 -0.262 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)cn1 ZINC000369825669 530309844 /nfs/dbraw/zinc/30/98/44/530309844.db2.gz YKPQXQPZEMZNCD-AWEZNQCLSA-N 1 2 387.531 -0.262 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cn1 ZINC000369825670 530309818 /nfs/dbraw/zinc/30/98/18/530309818.db2.gz YKPQXQPZEMZNCD-CQSZACIVSA-N 1 2 387.531 -0.262 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cn1 ZINC000369825670 530309815 /nfs/dbraw/zinc/30/98/15/530309815.db2.gz YKPQXQPZEMZNCD-CQSZACIVSA-N 1 2 387.531 -0.262 20 0 GBADLO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000369850839 530309575 /nfs/dbraw/zinc/30/95/75/530309575.db2.gz HLRIJQQAPDYITN-CABCVRRESA-N 1 2 377.507 -0.346 20 0 GBADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000369850839 530309574 /nfs/dbraw/zinc/30/95/74/530309574.db2.gz HLRIJQQAPDYITN-CABCVRRESA-N 1 2 377.507 -0.346 20 0 GBADLO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000369850840 530309620 /nfs/dbraw/zinc/30/96/20/530309620.db2.gz HLRIJQQAPDYITN-GJZGRUSLSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000369850840 530309619 /nfs/dbraw/zinc/30/96/19/530309619.db2.gz HLRIJQQAPDYITN-GJZGRUSLSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000369850841 530309629 /nfs/dbraw/zinc/30/96/29/530309629.db2.gz HLRIJQQAPDYITN-HUUCEWRRSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000369850841 530309627 /nfs/dbraw/zinc/30/96/27/530309627.db2.gz HLRIJQQAPDYITN-HUUCEWRRSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000369850842 530309499 /nfs/dbraw/zinc/30/94/99/530309499.db2.gz HLRIJQQAPDYITN-LSDHHAIUSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000369850842 530309495 /nfs/dbraw/zinc/30/94/95/530309495.db2.gz HLRIJQQAPDYITN-LSDHHAIUSA-N 1 2 377.507 -0.346 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)ccc1Cl ZINC000369933158 530309481 /nfs/dbraw/zinc/30/94/81/530309481.db2.gz MUQGTLNSHXGNFY-NWDGAFQWSA-N 1 2 391.877 -0.044 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)ccc1Cl ZINC000369933158 530309479 /nfs/dbraw/zinc/30/94/79/530309479.db2.gz MUQGTLNSHXGNFY-NWDGAFQWSA-N 1 2 391.877 -0.044 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000369997580 530310206 /nfs/dbraw/zinc/31/02/06/530310206.db2.gz PFJLKCZCJCPGLI-KBPBESRZSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000369997580 530310204 /nfs/dbraw/zinc/31/02/04/530310204.db2.gz PFJLKCZCJCPGLI-KBPBESRZSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000369997582 530310099 /nfs/dbraw/zinc/31/00/99/530310099.db2.gz PFJLKCZCJCPGLI-KGLIPLIRSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000369997582 530310098 /nfs/dbraw/zinc/31/00/98/530310098.db2.gz PFJLKCZCJCPGLI-KGLIPLIRSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000369997583 530310217 /nfs/dbraw/zinc/31/02/17/530310217.db2.gz PFJLKCZCJCPGLI-UONOGXRCSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000369997583 530310215 /nfs/dbraw/zinc/31/02/15/530310215.db2.gz PFJLKCZCJCPGLI-UONOGXRCSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000369997584 530309995 /nfs/dbraw/zinc/30/99/95/530309995.db2.gz PFJLKCZCJCPGLI-ZIAGYGMSSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000369997584 530309994 /nfs/dbraw/zinc/30/99/94/530309994.db2.gz PFJLKCZCJCPGLI-ZIAGYGMSSA-N 1 2 375.491 -0.198 20 0 GBADLO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000370043403 530310090 /nfs/dbraw/zinc/31/00/90/530310090.db2.gz RBANHTKLQZTPMB-AWEZNQCLSA-N 1 2 383.536 -0.558 20 0 GBADLO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000370043403 530310087 /nfs/dbraw/zinc/31/00/87/530310087.db2.gz RBANHTKLQZTPMB-AWEZNQCLSA-N 1 2 383.536 -0.558 20 0 GBADLO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000370043404 530310265 /nfs/dbraw/zinc/31/02/65/530310265.db2.gz RBANHTKLQZTPMB-CQSZACIVSA-N 1 2 383.536 -0.558 20 0 GBADLO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000370043404 530310264 /nfs/dbraw/zinc/31/02/64/530310264.db2.gz RBANHTKLQZTPMB-CQSZACIVSA-N 1 2 383.536 -0.558 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cn1 ZINC000370043529 530310314 /nfs/dbraw/zinc/31/03/14/530310314.db2.gz SGQOOFMJTGOLDH-CYBMUJFWSA-N 1 2 391.519 -0.802 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cn1 ZINC000370043529 530310312 /nfs/dbraw/zinc/31/03/12/530310312.db2.gz SGQOOFMJTGOLDH-CYBMUJFWSA-N 1 2 391.519 -0.802 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cn1 ZINC000370043530 530310147 /nfs/dbraw/zinc/31/01/47/530310147.db2.gz SGQOOFMJTGOLDH-ZDUSSCGKSA-N 1 2 391.519 -0.802 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cn1 ZINC000370043530 530310144 /nfs/dbraw/zinc/31/01/44/530310144.db2.gz SGQOOFMJTGOLDH-ZDUSSCGKSA-N 1 2 391.519 -0.802 20 0 GBADLO COC(=O)CCN(C)S(=O)(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000370098720 530310006 /nfs/dbraw/zinc/31/00/06/530310006.db2.gz YXMGICUEMAXDQK-AWEZNQCLSA-N 1 2 381.520 -0.476 20 0 GBADLO COC(=O)CCN(C)S(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000370098721 530310104 /nfs/dbraw/zinc/31/01/04/530310104.db2.gz YXMGICUEMAXDQK-CQSZACIVSA-N 1 2 381.520 -0.476 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000370326600 530310657 /nfs/dbraw/zinc/31/06/57/530310657.db2.gz PVBNHALOAOAUPO-CYBMUJFWSA-N 1 2 376.479 -0.524 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000370326600 530310656 /nfs/dbraw/zinc/31/06/56/530310656.db2.gz PVBNHALOAOAUPO-CYBMUJFWSA-N 1 2 376.479 -0.524 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000370326603 530310706 /nfs/dbraw/zinc/31/07/06/530310706.db2.gz PVBNHALOAOAUPO-ZDUSSCGKSA-N 1 2 376.479 -0.524 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000370326603 530310705 /nfs/dbraw/zinc/31/07/05/530310705.db2.gz PVBNHALOAOAUPO-ZDUSSCGKSA-N 1 2 376.479 -0.524 20 0 GBADLO CCNC(=O)CN1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000370368202 530310514 /nfs/dbraw/zinc/31/05/14/530310514.db2.gz SHEYDYJILUXQDT-UHFFFAOYSA-N 1 2 376.523 -0.818 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000370380085 530310869 /nfs/dbraw/zinc/31/08/69/530310869.db2.gz JYQTVDOELBEVKF-AWEZNQCLSA-N 1 2 383.536 -0.700 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000370380086 530310954 /nfs/dbraw/zinc/31/09/54/530310954.db2.gz JYQTVDOELBEVKF-CQSZACIVSA-N 1 2 383.536 -0.700 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000370385079 530311082 /nfs/dbraw/zinc/31/10/82/530311082.db2.gz OMERZSYJHOKWDZ-UHFFFAOYSA-N 1 2 376.504 -0.091 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@](C)(C(=O)OC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000370457954 530310933 /nfs/dbraw/zinc/31/09/33/530310933.db2.gz WJNDVXKCWWIMDA-BBRMVZONSA-N 1 2 376.475 -0.467 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@](C)(C(=O)OC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000370457954 530310931 /nfs/dbraw/zinc/31/09/31/530310931.db2.gz WJNDVXKCWWIMDA-BBRMVZONSA-N 1 2 376.475 -0.467 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@](C)(C(=O)OC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000370457958 530310969 /nfs/dbraw/zinc/31/09/69/530310969.db2.gz WJNDVXKCWWIMDA-CJNGLKHVSA-N 1 2 376.475 -0.467 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@](C)(C(=O)OC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000370457958 530310968 /nfs/dbraw/zinc/31/09/68/530310968.db2.gz WJNDVXKCWWIMDA-CJNGLKHVSA-N 1 2 376.475 -0.467 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@@](C)(C(=O)OC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000370457960 530310962 /nfs/dbraw/zinc/31/09/62/530310962.db2.gz WJNDVXKCWWIMDA-CZUORRHYSA-N 1 2 376.475 -0.467 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@@](C)(C(=O)OC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000370457960 530310961 /nfs/dbraw/zinc/31/09/61/530310961.db2.gz WJNDVXKCWWIMDA-CZUORRHYSA-N 1 2 376.475 -0.467 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@@](C)(C(=O)OC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000370457961 530311050 /nfs/dbraw/zinc/31/10/50/530311050.db2.gz WJNDVXKCWWIMDA-XJKSGUPXSA-N 1 2 376.475 -0.467 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@@](C)(C(=O)OC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000370457961 530311048 /nfs/dbraw/zinc/31/10/48/530311048.db2.gz WJNDVXKCWWIMDA-XJKSGUPXSA-N 1 2 376.475 -0.467 20 0 GBADLO CCOC1CC(CNC(=O)C(C)(C)NS(C)(=O)=O)([NH+]2CCOCC2)C1 ZINC000370498517 530310986 /nfs/dbraw/zinc/31/09/86/530310986.db2.gz HMLCTJNPXSCVRJ-UHFFFAOYSA-N 1 2 377.507 -0.300 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000370516118 530311464 /nfs/dbraw/zinc/31/14/64/530311464.db2.gz AIGRPVOGENQMGA-CHWSQXEVSA-N 1 2 378.495 -0.407 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000370516118 530311461 /nfs/dbraw/zinc/31/14/61/530311461.db2.gz AIGRPVOGENQMGA-CHWSQXEVSA-N 1 2 378.495 -0.407 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000370516125 530311415 /nfs/dbraw/zinc/31/14/15/530311415.db2.gz AIGRPVOGENQMGA-OLZOCXBDSA-N 1 2 378.495 -0.407 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000370516125 530311414 /nfs/dbraw/zinc/31/14/14/530311414.db2.gz AIGRPVOGENQMGA-OLZOCXBDSA-N 1 2 378.495 -0.407 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000370516127 530311587 /nfs/dbraw/zinc/31/15/87/530311587.db2.gz AIGRPVOGENQMGA-QWHCGFSZSA-N 1 2 378.495 -0.407 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000370516127 530311585 /nfs/dbraw/zinc/31/15/85/530311585.db2.gz AIGRPVOGENQMGA-QWHCGFSZSA-N 1 2 378.495 -0.407 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000370516137 530311474 /nfs/dbraw/zinc/31/14/74/530311474.db2.gz AIGRPVOGENQMGA-STQMWFEESA-N 1 2 378.495 -0.407 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000370516137 530311473 /nfs/dbraw/zinc/31/14/73/530311473.db2.gz AIGRPVOGENQMGA-STQMWFEESA-N 1 2 378.495 -0.407 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000370528813 530311553 /nfs/dbraw/zinc/31/15/53/530311553.db2.gz QEBZGKQNKNWAEH-AWEZNQCLSA-N 1 2 383.536 -0.606 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000370528814 530311559 /nfs/dbraw/zinc/31/15/59/530311559.db2.gz QEBZGKQNKNWAEH-CQSZACIVSA-N 1 2 383.536 -0.606 20 0 GBADLO COCCOCCS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000370783501 530103407 /nfs/dbraw/zinc/10/34/07/530103407.db2.gz YYHCKQSBGLCUPO-UHFFFAOYSA-N 1 2 377.507 -0.391 20 0 GBADLO COCCOCCS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000370783501 530103404 /nfs/dbraw/zinc/10/34/04/530103404.db2.gz YYHCKQSBGLCUPO-UHFFFAOYSA-N 1 2 377.507 -0.391 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000370832701 530103958 /nfs/dbraw/zinc/10/39/58/530103958.db2.gz ZDTIKRFMDLYDTO-AWEZNQCLSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000370832702 530103970 /nfs/dbraw/zinc/10/39/70/530103970.db2.gz ZDTIKRFMDLYDTO-CQSZACIVSA-N 1 2 375.491 -0.056 20 0 GBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000370856591 1072316147 /nfs/dbraw/zinc/31/61/47/1072316147.db2.gz RDBPVMHDHZNSKJ-HNNXBMFYSA-N 1 2 386.518 -0.531 20 0 GBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000370856591 1072316137 /nfs/dbraw/zinc/31/61/37/1072316137.db2.gz RDBPVMHDHZNSKJ-HNNXBMFYSA-N 1 2 386.518 -0.531 20 0 GBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000370865776 530104178 /nfs/dbraw/zinc/10/41/78/530104178.db2.gz ZCFCVUHJEHNTHK-GFCCVEGCSA-N 1 2 379.508 -0.900 20 0 GBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000370865776 530104175 /nfs/dbraw/zinc/10/41/75/530104175.db2.gz ZCFCVUHJEHNTHK-GFCCVEGCSA-N 1 2 379.508 -0.900 20 0 GBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000370865777 530104494 /nfs/dbraw/zinc/10/44/94/530104494.db2.gz ZCFCVUHJEHNTHK-LBPRGKRZSA-N 1 2 379.508 -0.900 20 0 GBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000370865777 530104493 /nfs/dbraw/zinc/10/44/93/530104493.db2.gz ZCFCVUHJEHNTHK-LBPRGKRZSA-N 1 2 379.508 -0.900 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000371005383 1073210685 /nfs/dbraw/zinc/21/06/85/1073210685.db2.gz AXVQJIYXKUOGQB-KBPBESRZSA-N 1 2 398.485 -0.424 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000371005383 1073210681 /nfs/dbraw/zinc/21/06/81/1073210681.db2.gz AXVQJIYXKUOGQB-KBPBESRZSA-N 1 2 398.485 -0.424 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000371005389 1073210700 /nfs/dbraw/zinc/21/07/00/1073210700.db2.gz AXVQJIYXKUOGQB-KGLIPLIRSA-N 1 2 398.485 -0.424 20 0 GBADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000371005389 1073210695 /nfs/dbraw/zinc/21/06/95/1073210695.db2.gz AXVQJIYXKUOGQB-KGLIPLIRSA-N 1 2 398.485 -0.424 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000371005390 1073210893 /nfs/dbraw/zinc/21/08/93/1073210893.db2.gz AXVQJIYXKUOGQB-UONOGXRCSA-N 1 2 398.485 -0.424 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000371005390 1073210882 /nfs/dbraw/zinc/21/08/82/1073210882.db2.gz AXVQJIYXKUOGQB-UONOGXRCSA-N 1 2 398.485 -0.424 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000371005392 1073211157 /nfs/dbraw/zinc/21/11/57/1073211157.db2.gz AXVQJIYXKUOGQB-ZIAGYGMSSA-N 1 2 398.485 -0.424 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000371005392 1073211152 /nfs/dbraw/zinc/21/11/52/1073211152.db2.gz AXVQJIYXKUOGQB-ZIAGYGMSSA-N 1 2 398.485 -0.424 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000371006082 1073213210 /nfs/dbraw/zinc/21/32/10/1073213210.db2.gz QFODIHPOCPKGPZ-BFHYXJOUSA-N 1 2 383.470 -0.045 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000371006082 1073213198 /nfs/dbraw/zinc/21/31/98/1073213198.db2.gz QFODIHPOCPKGPZ-BFHYXJOUSA-N 1 2 383.470 -0.045 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000371006086 1073212953 /nfs/dbraw/zinc/21/29/53/1073212953.db2.gz QFODIHPOCPKGPZ-HZSPNIEDSA-N 1 2 383.470 -0.045 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000371006086 1073212947 /nfs/dbraw/zinc/21/29/47/1073212947.db2.gz QFODIHPOCPKGPZ-HZSPNIEDSA-N 1 2 383.470 -0.045 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000371006094 1073213658 /nfs/dbraw/zinc/21/36/58/1073213658.db2.gz QFODIHPOCPKGPZ-MELADBBJSA-N 1 2 383.470 -0.045 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000371006094 1073213651 /nfs/dbraw/zinc/21/36/51/1073213651.db2.gz QFODIHPOCPKGPZ-MELADBBJSA-N 1 2 383.470 -0.045 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000371006097 1073214499 /nfs/dbraw/zinc/21/44/99/1073214499.db2.gz QFODIHPOCPKGPZ-MGPQQGTHSA-N 1 2 383.470 -0.045 20 0 GBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000371006097 1073214493 /nfs/dbraw/zinc/21/44/93/1073214493.db2.gz QFODIHPOCPKGPZ-MGPQQGTHSA-N 1 2 383.470 -0.045 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1-n1cnnn1 ZINC000371020133 1073533327 /nfs/dbraw/zinc/53/33/27/1073533327.db2.gz SXEIFDUAZJRHNR-CQSZACIVSA-N 1 2 385.428 -0.675 20 0 GBADLO CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000371020520 1073533557 /nfs/dbraw/zinc/53/35/57/1073533557.db2.gz UZFMFNNMQMCOKI-OAHLLOKOSA-N 1 2 389.518 -0.503 20 0 GBADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000371084489 530311792 /nfs/dbraw/zinc/31/17/92/530311792.db2.gz APLOSHXFUBVOHK-HNNXBMFYSA-N 1 2 388.515 -0.415 20 0 GBADLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000371084489 530311791 /nfs/dbraw/zinc/31/17/91/530311791.db2.gz APLOSHXFUBVOHK-HNNXBMFYSA-N 1 2 388.515 -0.415 20 0 GBADLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000371084490 530311851 /nfs/dbraw/zinc/31/18/51/530311851.db2.gz APLOSHXFUBVOHK-OAHLLOKOSA-N 1 2 388.515 -0.415 20 0 GBADLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000371084490 530311849 /nfs/dbraw/zinc/31/18/49/530311849.db2.gz APLOSHXFUBVOHK-OAHLLOKOSA-N 1 2 388.515 -0.415 20 0 GBADLO CCS(=O)(=O)CCN(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000371125666 530312021 /nfs/dbraw/zinc/31/20/21/530312021.db2.gz AGBKRMZIWICLFT-AWEZNQCLSA-N 1 2 375.491 -0.940 20 0 GBADLO CCS(=O)(=O)CCN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000371125667 530311918 /nfs/dbraw/zinc/31/19/18/530311918.db2.gz AGBKRMZIWICLFT-CQSZACIVSA-N 1 2 375.491 -0.940 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000371352713 530312490 /nfs/dbraw/zinc/31/24/90/530312490.db2.gz HCHZFVSVBSWQLI-HNNXBMFYSA-N 1 2 386.499 -0.333 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000371352714 530312535 /nfs/dbraw/zinc/31/25/35/530312535.db2.gz HCHZFVSVBSWQLI-OAHLLOKOSA-N 1 2 386.499 -0.333 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C(=O)OCC)C1 ZINC000371441133 530312742 /nfs/dbraw/zinc/31/27/42/530312742.db2.gz WPNLAQILYLXFMZ-KBPBESRZSA-N 1 2 375.491 -0.056 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C(=O)OCC)C1 ZINC000371441133 530312741 /nfs/dbraw/zinc/31/27/41/530312741.db2.gz WPNLAQILYLXFMZ-KBPBESRZSA-N 1 2 375.491 -0.056 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C(=O)OCC)C1 ZINC000371441134 530312917 /nfs/dbraw/zinc/31/29/17/530312917.db2.gz WPNLAQILYLXFMZ-KGLIPLIRSA-N 1 2 375.491 -0.056 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C(=O)OCC)C1 ZINC000371441134 530312916 /nfs/dbraw/zinc/31/29/16/530312916.db2.gz WPNLAQILYLXFMZ-KGLIPLIRSA-N 1 2 375.491 -0.056 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C(=O)OCC)C1 ZINC000371441135 530313063 /nfs/dbraw/zinc/31/30/63/530313063.db2.gz WPNLAQILYLXFMZ-UONOGXRCSA-N 1 2 375.491 -0.056 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C(=O)OCC)C1 ZINC000371441135 530313062 /nfs/dbraw/zinc/31/30/62/530313062.db2.gz WPNLAQILYLXFMZ-UONOGXRCSA-N 1 2 375.491 -0.056 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C(=O)OCC)C1 ZINC000371441136 530312698 /nfs/dbraw/zinc/31/26/98/530312698.db2.gz WPNLAQILYLXFMZ-ZIAGYGMSSA-N 1 2 375.491 -0.056 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C(=O)OCC)C1 ZINC000371441136 530312696 /nfs/dbraw/zinc/31/26/96/530312696.db2.gz WPNLAQILYLXFMZ-ZIAGYGMSSA-N 1 2 375.491 -0.056 20 0 GBADLO O=C(CCN1CCCS1(=O)=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000371456473 530312662 /nfs/dbraw/zinc/31/26/62/530312662.db2.gz IDYIJEDASIWUEN-HNNXBMFYSA-N 1 2 377.532 -0.264 20 0 GBADLO O=C(CCN1CCCS1(=O)=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000371456474 530312768 /nfs/dbraw/zinc/31/27/68/530312768.db2.gz IDYIJEDASIWUEN-OAHLLOKOSA-N 1 2 377.532 -0.264 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000371457456 530312672 /nfs/dbraw/zinc/31/26/72/530312672.db2.gz SOZHJPLYNISTAE-UHFFFAOYSA-N 1 2 388.515 -0.351 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000371457456 530312670 /nfs/dbraw/zinc/31/26/70/530312670.db2.gz SOZHJPLYNISTAE-UHFFFAOYSA-N 1 2 388.515 -0.351 20 0 GBADLO O=C(C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NC1CCOCC1 ZINC000371550999 530312863 /nfs/dbraw/zinc/31/28/63/530312863.db2.gz DCTVYAMCGWHPHL-HNNXBMFYSA-N 1 2 375.491 -0.592 20 0 GBADLO O=C(C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NC1CCOCC1 ZINC000371550999 530312860 /nfs/dbraw/zinc/31/28/60/530312860.db2.gz DCTVYAMCGWHPHL-HNNXBMFYSA-N 1 2 375.491 -0.592 20 0 GBADLO O=C(C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NC1CCOCC1 ZINC000371551001 530312938 /nfs/dbraw/zinc/31/29/38/530312938.db2.gz DCTVYAMCGWHPHL-OAHLLOKOSA-N 1 2 375.491 -0.592 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NC1CCOCC1 ZINC000371551001 530312935 /nfs/dbraw/zinc/31/29/35/530312935.db2.gz DCTVYAMCGWHPHL-OAHLLOKOSA-N 1 2 375.491 -0.592 20 0 GBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCS(=O)(=O)NC(C)C)C2)CC1 ZINC000371596509 530312789 /nfs/dbraw/zinc/31/27/89/530312789.db2.gz HWMXCRDBEIQLFL-HNNXBMFYSA-N 1 2 375.539 -0.264 20 0 GBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCS(=O)(=O)NC(C)C)C2)CC1 ZINC000371596510 530313332 /nfs/dbraw/zinc/31/33/32/530313332.db2.gz HWMXCRDBEIQLFL-OAHLLOKOSA-N 1 2 375.539 -0.264 20 0 GBADLO CCN(CC)S(=O)(=O)CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000371640009 530313416 /nfs/dbraw/zinc/31/34/16/530313416.db2.gz BSLSNRPHAKMASR-HNNXBMFYSA-N 1 2 379.548 -0.018 20 0 GBADLO CCN(CC)S(=O)(=O)CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000371640010 530313170 /nfs/dbraw/zinc/31/31/70/530313170.db2.gz BSLSNRPHAKMASR-OAHLLOKOSA-N 1 2 379.548 -0.018 20 0 GBADLO COCCCS(=O)(=O)NCC[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000371826994 530313140 /nfs/dbraw/zinc/31/31/40/530313140.db2.gz PDKYOCKGNGOXPB-HNNXBMFYSA-N 1 2 377.507 -0.344 20 0 GBADLO COCCCS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000371826994 530313139 /nfs/dbraw/zinc/31/31/39/530313139.db2.gz PDKYOCKGNGOXPB-HNNXBMFYSA-N 1 2 377.507 -0.344 20 0 GBADLO COCCCS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000371826995 530313224 /nfs/dbraw/zinc/31/32/24/530313224.db2.gz PDKYOCKGNGOXPB-OAHLLOKOSA-N 1 2 377.507 -0.344 20 0 GBADLO COCCCS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000371826995 530313223 /nfs/dbraw/zinc/31/32/23/530313223.db2.gz PDKYOCKGNGOXPB-OAHLLOKOSA-N 1 2 377.507 -0.344 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000371896580 530313786 /nfs/dbraw/zinc/31/37/86/530313786.db2.gz XDMCUMISBRJCQQ-AWEZNQCLSA-N 1 2 383.536 -0.558 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000371896581 530313830 /nfs/dbraw/zinc/31/38/30/530313830.db2.gz XDMCUMISBRJCQQ-CQSZACIVSA-N 1 2 383.536 -0.558 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000371922730 530313775 /nfs/dbraw/zinc/31/37/75/530313775.db2.gz GWNFCKXKHUNBCE-UHFFFAOYSA-N 1 2 397.563 -0.120 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000372002729 530313837 /nfs/dbraw/zinc/31/38/37/530313837.db2.gz JNZOYNLGSGXJKR-UHFFFAOYSA-N 1 2 395.547 -0.415 20 0 GBADLO CC(C)NS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000372074746 530314292 /nfs/dbraw/zinc/31/42/92/530314292.db2.gz YVMYRPFDMJQMHI-AWEZNQCLSA-N 1 2 383.536 -0.559 20 0 GBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000372074747 530314214 /nfs/dbraw/zinc/31/42/14/530314214.db2.gz YVMYRPFDMJQMHI-CQSZACIVSA-N 1 2 383.536 -0.559 20 0 GBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)CNS(=O)(=O)CCCOC)C2)CC1 ZINC000372099066 530314407 /nfs/dbraw/zinc/31/44/07/530314407.db2.gz QMGSPCYEGKOZPP-HNNXBMFYSA-N 1 2 376.523 -0.819 20 0 GBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CNS(=O)(=O)CCCOC)C2)CC1 ZINC000372099067 530314368 /nfs/dbraw/zinc/31/43/68/530314368.db2.gz QMGSPCYEGKOZPP-OAHLLOKOSA-N 1 2 376.523 -0.819 20 0 GBADLO O=C(CNC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO)Nc1ccccc1Br ZINC000372127932 530314347 /nfs/dbraw/zinc/31/43/47/530314347.db2.gz HTYABVUCFGJDRC-WDEREUQCSA-N 1 2 386.246 -0.069 20 0 GBADLO O=C(CNC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO)Nc1ccccc1Br ZINC000372127932 530314345 /nfs/dbraw/zinc/31/43/45/530314345.db2.gz HTYABVUCFGJDRC-WDEREUQCSA-N 1 2 386.246 -0.069 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000372149317 530314298 /nfs/dbraw/zinc/31/42/98/530314298.db2.gz MQHVBPBEEWBONV-GXTWGEPZSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000372149317 530314296 /nfs/dbraw/zinc/31/42/96/530314296.db2.gz MQHVBPBEEWBONV-GXTWGEPZSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000372149318 530314306 /nfs/dbraw/zinc/31/43/06/530314306.db2.gz MQHVBPBEEWBONV-JSGCOSHPSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000372149318 530314303 /nfs/dbraw/zinc/31/43/03/530314303.db2.gz MQHVBPBEEWBONV-JSGCOSHPSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000372149319 530314278 /nfs/dbraw/zinc/31/42/78/530314278.db2.gz MQHVBPBEEWBONV-OCCSQVGLSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000372149319 530314277 /nfs/dbraw/zinc/31/42/77/530314277.db2.gz MQHVBPBEEWBONV-OCCSQVGLSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000372149320 530314253 /nfs/dbraw/zinc/31/42/53/530314253.db2.gz MQHVBPBEEWBONV-TZMCWYRMSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000372149320 530314251 /nfs/dbraw/zinc/31/42/51/530314251.db2.gz MQHVBPBEEWBONV-TZMCWYRMSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000372149605 530314129 /nfs/dbraw/zinc/31/41/29/530314129.db2.gz OSTOWZZWIWJLDU-CYBMUJFWSA-N 1 2 376.479 -0.653 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000372149605 530314127 /nfs/dbraw/zinc/31/41/27/530314127.db2.gz OSTOWZZWIWJLDU-CYBMUJFWSA-N 1 2 376.479 -0.653 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000372149609 530314228 /nfs/dbraw/zinc/31/42/28/530314228.db2.gz OSTOWZZWIWJLDU-ZDUSSCGKSA-N 1 2 376.479 -0.653 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000372149609 530314227 /nfs/dbraw/zinc/31/42/27/530314227.db2.gz OSTOWZZWIWJLDU-ZDUSSCGKSA-N 1 2 376.479 -0.653 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372155756 530314856 /nfs/dbraw/zinc/31/48/56/530314856.db2.gz HAONLOIZMMKVJB-BFHYXJOUSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372155756 530314853 /nfs/dbraw/zinc/31/48/53/530314853.db2.gz HAONLOIZMMKVJB-BFHYXJOUSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372155758 530314718 /nfs/dbraw/zinc/31/47/18/530314718.db2.gz HAONLOIZMMKVJB-MCIONIFRSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372155758 530314716 /nfs/dbraw/zinc/31/47/16/530314716.db2.gz HAONLOIZMMKVJB-MCIONIFRSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372155760 530314663 /nfs/dbraw/zinc/31/46/63/530314663.db2.gz HAONLOIZMMKVJB-MGPQQGTHSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372155760 530314662 /nfs/dbraw/zinc/31/46/62/530314662.db2.gz HAONLOIZMMKVJB-MGPQQGTHSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372155762 530314631 /nfs/dbraw/zinc/31/46/31/530314631.db2.gz HAONLOIZMMKVJB-MJBXVCDLSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372155762 530314629 /nfs/dbraw/zinc/31/46/29/530314629.db2.gz HAONLOIZMMKVJB-MJBXVCDLSA-N 1 2 375.491 -0.200 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000372227777 530314744 /nfs/dbraw/zinc/31/47/44/530314744.db2.gz HAQHMRRLNWGLOE-CYBMUJFWSA-N 1 2 389.503 -0.928 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000372227782 530314816 /nfs/dbraw/zinc/31/48/16/530314816.db2.gz HAQHMRRLNWGLOE-ZDUSSCGKSA-N 1 2 389.503 -0.928 20 0 GBADLO CCN(CCS(C)(=O)=O)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000372819913 530315803 /nfs/dbraw/zinc/31/58/03/530315803.db2.gz DXMWXPDTKAHYCA-AWEZNQCLSA-N 1 2 375.491 -0.940 20 0 GBADLO CCN(CCS(C)(=O)=O)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000372819920 530315820 /nfs/dbraw/zinc/31/58/20/530315820.db2.gz DXMWXPDTKAHYCA-CQSZACIVSA-N 1 2 375.491 -0.940 20 0 GBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000372978536 530316546 /nfs/dbraw/zinc/31/65/46/530316546.db2.gz KRHDTVWHHIKFJP-GUTXKFCHSA-N 1 2 375.491 -0.342 20 0 GBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000372978536 530316545 /nfs/dbraw/zinc/31/65/45/530316545.db2.gz KRHDTVWHHIKFJP-GUTXKFCHSA-N 1 2 375.491 -0.342 20 0 GBADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000372978539 530316539 /nfs/dbraw/zinc/31/65/39/530316539.db2.gz KRHDTVWHHIKFJP-IPYPFGDCSA-N 1 2 375.491 -0.342 20 0 GBADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000372978539 530316537 /nfs/dbraw/zinc/31/65/37/530316537.db2.gz KRHDTVWHHIKFJP-IPYPFGDCSA-N 1 2 375.491 -0.342 20 0 GBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000372978541 530316254 /nfs/dbraw/zinc/31/62/54/530316254.db2.gz KRHDTVWHHIKFJP-NFAWXSAZSA-N 1 2 375.491 -0.342 20 0 GBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000372978541 530316251 /nfs/dbraw/zinc/31/62/51/530316251.db2.gz KRHDTVWHHIKFJP-NFAWXSAZSA-N 1 2 375.491 -0.342 20 0 GBADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000372978544 530316439 /nfs/dbraw/zinc/31/64/39/530316439.db2.gz KRHDTVWHHIKFJP-YDHLFZDLSA-N 1 2 375.491 -0.342 20 0 GBADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000372978544 530316437 /nfs/dbraw/zinc/31/64/37/530316437.db2.gz KRHDTVWHHIKFJP-YDHLFZDLSA-N 1 2 375.491 -0.342 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H]1C ZINC000372978545 530316471 /nfs/dbraw/zinc/31/64/71/530316471.db2.gz HCWADUPOYWHISU-TZMCWYRMSA-N 1 2 375.491 -0.054 20 0 GBADLO CCOC1CC(CNC(=O)CCS(=O)(=O)N(C)C)([NH+]2CCOCC2)C1 ZINC000373069857 530316498 /nfs/dbraw/zinc/31/64/98/530316498.db2.gz LKCHBVMYJDMXGH-UHFFFAOYSA-N 1 2 377.507 -0.346 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000373368525 530316949 /nfs/dbraw/zinc/31/69/49/530316949.db2.gz GFZDLXRGAPPRHK-AWEZNQCLSA-N 1 2 383.536 -0.748 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000373368528 530316881 /nfs/dbraw/zinc/31/68/81/530316881.db2.gz GFZDLXRGAPPRHK-CQSZACIVSA-N 1 2 383.536 -0.748 20 0 GBADLO CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000373458572 530317285 /nfs/dbraw/zinc/31/72/85/530317285.db2.gz BDNVZQMULLGSQH-CVEARBPZSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000373458572 530317283 /nfs/dbraw/zinc/31/72/83/530317283.db2.gz BDNVZQMULLGSQH-CVEARBPZSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000373458573 530317298 /nfs/dbraw/zinc/31/72/98/530317298.db2.gz BDNVZQMULLGSQH-HOTGVXAUSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000373458573 530317297 /nfs/dbraw/zinc/31/72/97/530317297.db2.gz BDNVZQMULLGSQH-HOTGVXAUSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)C[C@H](CO)[N@@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000373458574 530317148 /nfs/dbraw/zinc/31/71/48/530317148.db2.gz BDNVZQMULLGSQH-HZPDHXFCSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000373458574 530317142 /nfs/dbraw/zinc/31/71/42/530317142.db2.gz BDNVZQMULLGSQH-HZPDHXFCSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)C[C@H](CO)[N@@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000373458575 530317116 /nfs/dbraw/zinc/31/71/16/530317116.db2.gz BDNVZQMULLGSQH-JKSUJKDBSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000373458575 530317113 /nfs/dbraw/zinc/31/71/13/530317113.db2.gz BDNVZQMULLGSQH-JKSUJKDBSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@]12CCOC2=O)S(C)(=O)=O ZINC000373528485 530317187 /nfs/dbraw/zinc/31/71/87/530317187.db2.gz INTMXCCUIRRAOU-INIZCTEOSA-N 1 2 375.491 -0.056 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@]12CCOC2=O)S(C)(=O)=O ZINC000373528485 530317186 /nfs/dbraw/zinc/31/71/86/530317186.db2.gz INTMXCCUIRRAOU-INIZCTEOSA-N 1 2 375.491 -0.056 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@]12CCOC2=O)S(C)(=O)=O ZINC000373528486 530317320 /nfs/dbraw/zinc/31/73/20/530317320.db2.gz INTMXCCUIRRAOU-MRXNPFEDSA-N 1 2 375.491 -0.056 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@]12CCOC2=O)S(C)(=O)=O ZINC000373528486 530317317 /nfs/dbraw/zinc/31/73/17/530317317.db2.gz INTMXCCUIRRAOU-MRXNPFEDSA-N 1 2 375.491 -0.056 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000373599719 530317430 /nfs/dbraw/zinc/31/74/30/530317430.db2.gz WFVKAAQPAHGDRC-UHFFFAOYSA-N 1 2 379.433 -0.067 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000373599719 530317428 /nfs/dbraw/zinc/31/74/28/530317428.db2.gz WFVKAAQPAHGDRC-UHFFFAOYSA-N 1 2 379.433 -0.067 20 0 GBADLO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000373800892 530318209 /nfs/dbraw/zinc/31/82/09/530318209.db2.gz PURYOOMPEFUGKK-CABCVRRESA-N 1 2 379.523 -0.100 20 0 GBADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000373800892 530318206 /nfs/dbraw/zinc/31/82/06/530318206.db2.gz PURYOOMPEFUGKK-CABCVRRESA-N 1 2 379.523 -0.100 20 0 GBADLO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000373800893 530317951 /nfs/dbraw/zinc/31/79/51/530317951.db2.gz PURYOOMPEFUGKK-GJZGRUSLSA-N 1 2 379.523 -0.100 20 0 GBADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000373800893 530317948 /nfs/dbraw/zinc/31/79/48/530317948.db2.gz PURYOOMPEFUGKK-GJZGRUSLSA-N 1 2 379.523 -0.100 20 0 GBADLO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000373800894 530318237 /nfs/dbraw/zinc/31/82/37/530318237.db2.gz PURYOOMPEFUGKK-HUUCEWRRSA-N 1 2 379.523 -0.100 20 0 GBADLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000373800894 530318235 /nfs/dbraw/zinc/31/82/35/530318235.db2.gz PURYOOMPEFUGKK-HUUCEWRRSA-N 1 2 379.523 -0.100 20 0 GBADLO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000373800895 530318121 /nfs/dbraw/zinc/31/81/21/530318121.db2.gz PURYOOMPEFUGKK-LSDHHAIUSA-N 1 2 379.523 -0.100 20 0 GBADLO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000373800895 530318119 /nfs/dbraw/zinc/31/81/19/530318119.db2.gz PURYOOMPEFUGKK-LSDHHAIUSA-N 1 2 379.523 -0.100 20 0 GBADLO CC[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000373814922 530318170 /nfs/dbraw/zinc/31/81/70/530318170.db2.gz NDRMHWMNGZFZKG-GDBMZVCRSA-N 1 2 377.507 -0.346 20 0 GBADLO CC[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000373814922 530318168 /nfs/dbraw/zinc/31/81/68/530318168.db2.gz NDRMHWMNGZFZKG-GDBMZVCRSA-N 1 2 377.507 -0.346 20 0 GBADLO CC[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000373814923 530317922 /nfs/dbraw/zinc/31/79/22/530317922.db2.gz NDRMHWMNGZFZKG-GOEBONIOSA-N 1 2 377.507 -0.346 20 0 GBADLO CC[C@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000373814923 530317920 /nfs/dbraw/zinc/31/79/20/530317920.db2.gz NDRMHWMNGZFZKG-GOEBONIOSA-N 1 2 377.507 -0.346 20 0 GBADLO CC[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000373814924 530317970 /nfs/dbraw/zinc/31/79/70/530317970.db2.gz NDRMHWMNGZFZKG-HOCLYGCPSA-N 1 2 377.507 -0.346 20 0 GBADLO CC[C@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000373814924 530317968 /nfs/dbraw/zinc/31/79/68/530317968.db2.gz NDRMHWMNGZFZKG-HOCLYGCPSA-N 1 2 377.507 -0.346 20 0 GBADLO CC[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000373814925 530318242 /nfs/dbraw/zinc/31/82/42/530318242.db2.gz NDRMHWMNGZFZKG-ZBFHGGJFSA-N 1 2 377.507 -0.346 20 0 GBADLO CC[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000373814925 530318240 /nfs/dbraw/zinc/31/82/40/530318240.db2.gz NDRMHWMNGZFZKG-ZBFHGGJFSA-N 1 2 377.507 -0.346 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCSCC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000373874182 530318183 /nfs/dbraw/zinc/31/81/83/530318183.db2.gz YUACBYQFARATQT-HNNXBMFYSA-N 1 2 391.559 -0.018 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCSCC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000373874182 530318181 /nfs/dbraw/zinc/31/81/81/530318181.db2.gz YUACBYQFARATQT-HNNXBMFYSA-N 1 2 391.559 -0.018 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCSCC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000373874186 530318228 /nfs/dbraw/zinc/31/82/28/530318228.db2.gz YUACBYQFARATQT-OAHLLOKOSA-N 1 2 391.559 -0.018 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCSCC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000373874186 530318227 /nfs/dbraw/zinc/31/82/27/530318227.db2.gz YUACBYQFARATQT-OAHLLOKOSA-N 1 2 391.559 -0.018 20 0 GBADLO CCOC1CC(CNC(=O)CN2CCCS2(=O)=O)([NH+]2CCOCC2)C1 ZINC000373881537 530317903 /nfs/dbraw/zinc/31/79/03/530317903.db2.gz KYKULUPBQGIKRW-UHFFFAOYSA-N 1 2 375.491 -0.592 20 0 GBADLO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000374052966 530318484 /nfs/dbraw/zinc/31/84/84/530318484.db2.gz XATGEXDFSHHBFP-AWEZNQCLSA-N 1 2 379.548 -0.018 20 0 GBADLO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000374052966 530318481 /nfs/dbraw/zinc/31/84/81/530318481.db2.gz XATGEXDFSHHBFP-AWEZNQCLSA-N 1 2 379.548 -0.018 20 0 GBADLO COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000374052972 530318615 /nfs/dbraw/zinc/31/86/15/530318615.db2.gz XATGEXDFSHHBFP-CQSZACIVSA-N 1 2 379.548 -0.018 20 0 GBADLO COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000374052972 530318613 /nfs/dbraw/zinc/31/86/13/530318613.db2.gz XATGEXDFSHHBFP-CQSZACIVSA-N 1 2 379.548 -0.018 20 0 GBADLO COC(=O)[C@]1(C)C[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000374345103 530318951 /nfs/dbraw/zinc/31/89/51/530318951.db2.gz KGVLLYLVICHFHZ-JRPNMDOOSA-N 1 2 375.447 -0.870 20 0 GBADLO COC(=O)[C@]1(C)C[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000374345103 530318950 /nfs/dbraw/zinc/31/89/50/530318950.db2.gz KGVLLYLVICHFHZ-JRPNMDOOSA-N 1 2 375.447 -0.870 20 0 GBADLO COC(=O)[C@]1(C)C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000374345104 530319016 /nfs/dbraw/zinc/31/90/16/530319016.db2.gz KGVLLYLVICHFHZ-UEKVPHQBSA-N 1 2 375.447 -0.870 20 0 GBADLO COC(=O)[C@]1(C)C[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000374345104 530319014 /nfs/dbraw/zinc/31/90/14/530319014.db2.gz KGVLLYLVICHFHZ-UEKVPHQBSA-N 1 2 375.447 -0.870 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374824540 530319636 /nfs/dbraw/zinc/31/96/36/530319636.db2.gz NGUHPAFZNNIIOV-GFCCVEGCSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374824540 530319634 /nfs/dbraw/zinc/31/96/34/530319634.db2.gz NGUHPAFZNNIIOV-GFCCVEGCSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374824544 530319855 /nfs/dbraw/zinc/31/98/55/530319855.db2.gz NGUHPAFZNNIIOV-LBPRGKRZSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374824544 530319853 /nfs/dbraw/zinc/31/98/53/530319853.db2.gz NGUHPAFZNNIIOV-LBPRGKRZSA-N 1 2 376.479 -0.653 20 0 GBADLO CCOC(=O)CCCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374827685 530319767 /nfs/dbraw/zinc/31/97/67/530319767.db2.gz VAWOISUJXPGAIN-UHFFFAOYSA-N 1 2 375.491 -0.054 20 0 GBADLO CCOC(=O)CCCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374827685 530319766 /nfs/dbraw/zinc/31/97/66/530319766.db2.gz VAWOISUJXPGAIN-UHFFFAOYSA-N 1 2 375.491 -0.054 20 0 GBADLO O=C(C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1)NC(=O)NCC(F)(F)F ZINC000374828308 530319729 /nfs/dbraw/zinc/31/97/29/530319729.db2.gz WYTFUKBGCGBKPQ-UHFFFAOYSA-N 1 2 386.396 -0.126 20 0 GBADLO O=C(C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1)NC(=O)NCC(F)(F)F ZINC000374828308 530319727 /nfs/dbraw/zinc/31/97/27/530319727.db2.gz WYTFUKBGCGBKPQ-UHFFFAOYSA-N 1 2 386.396 -0.126 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000374834186 530319817 /nfs/dbraw/zinc/31/98/17/530319817.db2.gz SCMPJZDBDDRXHX-UHFFFAOYSA-N 1 2 391.519 -0.802 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000374834186 530319816 /nfs/dbraw/zinc/31/98/16/530319816.db2.gz SCMPJZDBDDRXHX-UHFFFAOYSA-N 1 2 391.519 -0.802 20 0 GBADLO COCCCS(=O)(=O)NCC[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374835364 530319577 /nfs/dbraw/zinc/31/95/77/530319577.db2.gz WHQYSWPJCNWSJV-UHFFFAOYSA-N 1 2 383.536 -0.558 20 0 GBADLO COCCCS(=O)(=O)NCC[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374835364 530319574 /nfs/dbraw/zinc/31/95/74/530319574.db2.gz WHQYSWPJCNWSJV-UHFFFAOYSA-N 1 2 383.536 -0.558 20 0 GBADLO O=S(=O)([C@H]1CCC[N@@H+](CC2CCS(=O)(=O)CC2)C1)N1CCOCC1 ZINC000374836526 530319701 /nfs/dbraw/zinc/31/97/01/530319701.db2.gz OGHSYFZKLXNRKO-HNNXBMFYSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)N1CCOCC1 ZINC000374836526 530319698 /nfs/dbraw/zinc/31/96/98/530319698.db2.gz OGHSYFZKLXNRKO-HNNXBMFYSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@@H+](CC2CCS(=O)(=O)CC2)C1)N1CCOCC1 ZINC000374836527 530319839 /nfs/dbraw/zinc/31/98/39/530319839.db2.gz OGHSYFZKLXNRKO-OAHLLOKOSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)N1CCOCC1 ZINC000374836527 530319837 /nfs/dbraw/zinc/31/98/37/530319837.db2.gz OGHSYFZKLXNRKO-OAHLLOKOSA-N 1 2 380.532 -0.062 20 0 GBADLO CCOC(=O)CN1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000374840960 530320022 /nfs/dbraw/zinc/32/00/22/530320022.db2.gz FLCRZEUNNKBDNF-UHFFFAOYSA-N 1 2 377.507 -0.391 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1)S(C)(=O)=O ZINC000375113357 530320108 /nfs/dbraw/zinc/32/01/08/530320108.db2.gz IGEPRICETHCZSN-INIZCTEOSA-N 1 2 377.507 -0.346 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1)S(C)(=O)=O ZINC000375113357 530320106 /nfs/dbraw/zinc/32/01/06/530320106.db2.gz IGEPRICETHCZSN-INIZCTEOSA-N 1 2 377.507 -0.346 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1)S(C)(=O)=O ZINC000375113358 530320090 /nfs/dbraw/zinc/32/00/90/530320090.db2.gz IGEPRICETHCZSN-MRXNPFEDSA-N 1 2 377.507 -0.346 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1)S(C)(=O)=O ZINC000375113358 530320088 /nfs/dbraw/zinc/32/00/88/530320088.db2.gz IGEPRICETHCZSN-MRXNPFEDSA-N 1 2 377.507 -0.346 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1)S(C)(=O)=O ZINC000375238017 530320386 /nfs/dbraw/zinc/32/03/86/530320386.db2.gz BHYFJQOSXWTUQN-HNNXBMFYSA-N 1 2 376.523 -0.821 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1)S(C)(=O)=O ZINC000375238017 530320385 /nfs/dbraw/zinc/32/03/85/530320385.db2.gz BHYFJQOSXWTUQN-HNNXBMFYSA-N 1 2 376.523 -0.821 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCN2CCOC[C@H]2C1)S(C)(=O)=O ZINC000375238022 530320645 /nfs/dbraw/zinc/32/06/45/530320645.db2.gz BHYFJQOSXWTUQN-OAHLLOKOSA-N 1 2 376.523 -0.821 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1)S(C)(=O)=O ZINC000375238022 530320643 /nfs/dbraw/zinc/32/06/43/530320643.db2.gz BHYFJQOSXWTUQN-OAHLLOKOSA-N 1 2 376.523 -0.821 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000375256130 530320377 /nfs/dbraw/zinc/32/03/77/530320377.db2.gz MWQSMVINGLCMOR-UHFFFAOYSA-N 1 2 391.515 -0.374 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000375256130 530320375 /nfs/dbraw/zinc/32/03/75/530320375.db2.gz MWQSMVINGLCMOR-UHFFFAOYSA-N 1 2 391.515 -0.374 20 0 GBADLO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CCS(C)(=O)=O ZINC000375313232 530320413 /nfs/dbraw/zinc/32/04/13/530320413.db2.gz CNFVBQGWAWKGKZ-INIZCTEOSA-N 1 2 390.527 -0.070 20 0 GBADLO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCS(C)(=O)=O ZINC000375313232 530320411 /nfs/dbraw/zinc/32/04/11/530320411.db2.gz CNFVBQGWAWKGKZ-INIZCTEOSA-N 1 2 390.527 -0.070 20 0 GBADLO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CCS(C)(=O)=O ZINC000375313235 530320592 /nfs/dbraw/zinc/32/05/92/530320592.db2.gz CNFVBQGWAWKGKZ-MRXNPFEDSA-N 1 2 390.527 -0.070 20 0 GBADLO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCS(C)(=O)=O ZINC000375313235 530320591 /nfs/dbraw/zinc/32/05/91/530320591.db2.gz CNFVBQGWAWKGKZ-MRXNPFEDSA-N 1 2 390.527 -0.070 20 0 GBADLO CCN1CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1=O ZINC000375482752 530320492 /nfs/dbraw/zinc/32/04/92/530320492.db2.gz JLEHIXORSQOMIR-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO CCN1CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1=O ZINC000375482752 530320491 /nfs/dbraw/zinc/32/04/91/530320491.db2.gz JLEHIXORSQOMIR-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000375617092 530320827 /nfs/dbraw/zinc/32/08/27/530320827.db2.gz GHSOPVGSHFWSLF-KBPBESRZSA-N 1 2 383.536 -0.607 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000375617093 530321053 /nfs/dbraw/zinc/32/10/53/530321053.db2.gz GHSOPVGSHFWSLF-KGLIPLIRSA-N 1 2 383.536 -0.607 20 0 GBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000375617094 530320782 /nfs/dbraw/zinc/32/07/82/530320782.db2.gz GHSOPVGSHFWSLF-UONOGXRCSA-N 1 2 383.536 -0.607 20 0 GBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000375617095 530320847 /nfs/dbraw/zinc/32/08/47/530320847.db2.gz GHSOPVGSHFWSLF-ZIAGYGMSSA-N 1 2 383.536 -0.607 20 0 GBADLO COCCOCCOCCS(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000375620062 530321034 /nfs/dbraw/zinc/32/10/34/530321034.db2.gz UWEXPDJAFQJSLA-CVEARBPZSA-N 1 2 380.507 -0.209 20 0 GBADLO COCCOCCOCCS(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000375620068 530321029 /nfs/dbraw/zinc/32/10/29/530321029.db2.gz UWEXPDJAFQJSLA-HOTGVXAUSA-N 1 2 380.507 -0.209 20 0 GBADLO COCCOCCOCCS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000375620070 530320900 /nfs/dbraw/zinc/32/09/00/530320900.db2.gz UWEXPDJAFQJSLA-HZPDHXFCSA-N 1 2 380.507 -0.209 20 0 GBADLO COCCOCCOCCS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000375620073 530320938 /nfs/dbraw/zinc/32/09/38/530320938.db2.gz UWEXPDJAFQJSLA-JKSUJKDBSA-N 1 2 380.507 -0.209 20 0 GBADLO Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000375621642 1073793947 /nfs/dbraw/zinc/79/39/47/1073793947.db2.gz VFWRHOWPYSYRFZ-CABCVRRESA-N 1 2 375.473 -0.111 20 0 GBADLO Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000375621643 1073793990 /nfs/dbraw/zinc/79/39/90/1073793990.db2.gz VFWRHOWPYSYRFZ-GJZGRUSLSA-N 1 2 375.473 -0.111 20 0 GBADLO Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000375621644 1072324325 /nfs/dbraw/zinc/32/43/25/1072324325.db2.gz VFWRHOWPYSYRFZ-HUUCEWRRSA-N 1 2 375.473 -0.111 20 0 GBADLO Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000375621645 1072324222 /nfs/dbraw/zinc/32/42/22/1072324222.db2.gz VFWRHOWPYSYRFZ-LSDHHAIUSA-N 1 2 375.473 -0.111 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000375622437 530321008 /nfs/dbraw/zinc/32/10/08/530321008.db2.gz DOOPUAGGQGQUCE-CABCVRRESA-N 1 2 375.491 -0.135 20 0 GBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000375622439 530320881 /nfs/dbraw/zinc/32/08/81/530320881.db2.gz DOOPUAGGQGQUCE-GJZGRUSLSA-N 1 2 375.491 -0.135 20 0 GBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000375622441 530321041 /nfs/dbraw/zinc/32/10/41/530321041.db2.gz DOOPUAGGQGQUCE-HUUCEWRRSA-N 1 2 375.491 -0.135 20 0 GBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000375622443 530320815 /nfs/dbraw/zinc/32/08/15/530320815.db2.gz DOOPUAGGQGQUCE-LSDHHAIUSA-N 1 2 375.491 -0.135 20 0 GBADLO CN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000375623387 1072329278 /nfs/dbraw/zinc/32/92/78/1072329278.db2.gz JJMCHCQKEKHDQQ-HNNXBMFYSA-N 1 2 390.550 -0.431 20 0 GBADLO CN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000375623390 1072329017 /nfs/dbraw/zinc/32/90/17/1072329017.db2.gz JJMCHCQKEKHDQQ-OAHLLOKOSA-N 1 2 390.550 -0.431 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000375623423 530320861 /nfs/dbraw/zinc/32/08/61/530320861.db2.gz JNKCOUCKWGFKCJ-CQSZACIVSA-N 1 2 395.547 -0.415 20 0 GBADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000375623707 1072331268 /nfs/dbraw/zinc/33/12/68/1072331268.db2.gz KXZKUDJNCDRFDS-HNNXBMFYSA-N 1 2 386.518 -0.577 20 0 GBADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000375623707 1072331259 /nfs/dbraw/zinc/33/12/59/1072331259.db2.gz KXZKUDJNCDRFDS-HNNXBMFYSA-N 1 2 386.518 -0.577 20 0 GBADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000375623708 1072330657 /nfs/dbraw/zinc/33/06/57/1072330657.db2.gz KXZKUDJNCDRFDS-OAHLLOKOSA-N 1 2 386.518 -0.577 20 0 GBADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000375623708 1072330647 /nfs/dbraw/zinc/33/06/47/1072330647.db2.gz KXZKUDJNCDRFDS-OAHLLOKOSA-N 1 2 386.518 -0.577 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000375625190 1072333898 /nfs/dbraw/zinc/33/38/98/1072333898.db2.gz NLLRHMQLVUMVPW-CYBMUJFWSA-N 1 2 397.476 -0.064 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000375625190 1072333892 /nfs/dbraw/zinc/33/38/92/1072333892.db2.gz NLLRHMQLVUMVPW-CYBMUJFWSA-N 1 2 397.476 -0.064 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000375625193 1072333509 /nfs/dbraw/zinc/33/35/09/1072333509.db2.gz NLLRHMQLVUMVPW-ZDUSSCGKSA-N 1 2 397.476 -0.064 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000375625193 1072333502 /nfs/dbraw/zinc/33/35/02/1072333502.db2.gz NLLRHMQLVUMVPW-ZDUSSCGKSA-N 1 2 397.476 -0.064 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000375628025 530321065 /nfs/dbraw/zinc/32/10/65/530321065.db2.gz AJQGUISSNMTIBE-DZGCQCFKSA-N 1 2 375.491 -0.089 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000375628027 530320956 /nfs/dbraw/zinc/32/09/56/530320956.db2.gz AJQGUISSNMTIBE-HIFRSBDPSA-N 1 2 375.491 -0.089 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000375628029 530320909 /nfs/dbraw/zinc/32/09/09/530320909.db2.gz AJQGUISSNMTIBE-UKRRQHHQSA-N 1 2 375.491 -0.089 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000375628030 530320895 /nfs/dbraw/zinc/32/08/95/530320895.db2.gz AJQGUISSNMTIBE-ZFWWWQNUSA-N 1 2 375.491 -0.089 20 0 GBADLO COCCN(CCOC)S(=O)(=O)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375637737 530320844 /nfs/dbraw/zinc/32/08/44/530320844.db2.gz CZSXORGPWVRAES-AWEZNQCLSA-N 1 2 376.479 -0.005 20 0 GBADLO COCCN(CCOC)S(=O)(=O)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375637742 530321138 /nfs/dbraw/zinc/32/11/38/530321138.db2.gz CZSXORGPWVRAES-CQSZACIVSA-N 1 2 376.479 -0.005 20 0 GBADLO CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000375660364 530321024 /nfs/dbraw/zinc/32/10/24/530321024.db2.gz MOIMQIZHFYYKNN-AWEZNQCLSA-N 1 2 383.536 -0.606 20 0 GBADLO CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000375660365 530321057 /nfs/dbraw/zinc/32/10/57/530321057.db2.gz MOIMQIZHFYYKNN-CQSZACIVSA-N 1 2 383.536 -0.606 20 0 GBADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000375688195 530320820 /nfs/dbraw/zinc/32/08/20/530320820.db2.gz MLXURBBJOBYSIQ-GFCCVEGCSA-N 1 2 379.508 -0.946 20 0 GBADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000375688195 530320818 /nfs/dbraw/zinc/32/08/18/530320818.db2.gz MLXURBBJOBYSIQ-GFCCVEGCSA-N 1 2 379.508 -0.946 20 0 GBADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000375688197 530320800 /nfs/dbraw/zinc/32/08/00/530320800.db2.gz MLXURBBJOBYSIQ-LBPRGKRZSA-N 1 2 379.508 -0.946 20 0 GBADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000375688197 530320799 /nfs/dbraw/zinc/32/07/99/530320799.db2.gz MLXURBBJOBYSIQ-LBPRGKRZSA-N 1 2 379.508 -0.946 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCS(=O)(=O)N(C)C)CC1 ZINC000375714613 530321270 /nfs/dbraw/zinc/32/12/70/530321270.db2.gz PHTQDLLXRXGRPR-UHFFFAOYSA-N 1 2 394.519 -0.121 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCS(=O)(=O)N(C)C)CC1 ZINC000375714613 530321266 /nfs/dbraw/zinc/32/12/66/530321266.db2.gz PHTQDLLXRXGRPR-UHFFFAOYSA-N 1 2 394.519 -0.121 20 0 GBADLO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000375739840 1072467259 /nfs/dbraw/zinc/46/72/59/1072467259.db2.gz DRGRWQITDRYXPG-DLBZAZTESA-N 1 2 380.489 -0.269 20 0 GBADLO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000375739841 1072467454 /nfs/dbraw/zinc/46/74/54/1072467454.db2.gz DRGRWQITDRYXPG-IAGOWNOFSA-N 1 2 380.489 -0.269 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)C1(O)CCCC1 ZINC000375749211 1072557997 /nfs/dbraw/zinc/55/79/97/1072557997.db2.gz NECSYTCTHKTRCL-CYBMUJFWSA-N 1 2 375.416 -0.024 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(F)(F)C1(O)CCCC1 ZINC000375749212 1072557673 /nfs/dbraw/zinc/55/76/73/1072557673.db2.gz NECSYTCTHKTRCL-ZDUSSCGKSA-N 1 2 375.416 -0.024 20 0 GBADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(C)CC(F)(F)F ZINC000375749554 1072557932 /nfs/dbraw/zinc/55/79/32/1072557932.db2.gz OVSYRYGCURYIRP-CHWSQXEVSA-N 1 2 380.411 -0.082 20 0 GBADLO C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(C)CC(F)(F)F ZINC000375749555 1072557535 /nfs/dbraw/zinc/55/75/35/1072557535.db2.gz OVSYRYGCURYIRP-OLZOCXBDSA-N 1 2 380.411 -0.082 20 0 GBADLO C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(C)CC(F)(F)F ZINC000375749556 1072557952 /nfs/dbraw/zinc/55/79/52/1072557952.db2.gz OVSYRYGCURYIRP-QWHCGFSZSA-N 1 2 380.411 -0.082 20 0 GBADLO C[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(C)CC(F)(F)F ZINC000375749557 1072558087 /nfs/dbraw/zinc/55/80/87/1072558087.db2.gz OVSYRYGCURYIRP-STQMWFEESA-N 1 2 380.411 -0.082 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@H]1c1ncon1 ZINC000375778493 1072602782 /nfs/dbraw/zinc/60/27/82/1072602782.db2.gz JKQGCNHVNJYRJU-KBPBESRZSA-N 1 2 379.417 -0.850 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@H]1c1ncon1 ZINC000375778498 1072602991 /nfs/dbraw/zinc/60/29/91/1072602991.db2.gz JKQGCNHVNJYRJU-KGLIPLIRSA-N 1 2 379.417 -0.850 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1c1ncon1 ZINC000375778501 1072603016 /nfs/dbraw/zinc/60/30/16/1072603016.db2.gz JKQGCNHVNJYRJU-UONOGXRCSA-N 1 2 379.417 -0.850 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCOC[C@@H]1c1ncon1 ZINC000375778504 1072603170 /nfs/dbraw/zinc/60/31/70/1072603170.db2.gz JKQGCNHVNJYRJU-ZIAGYGMSSA-N 1 2 379.417 -0.850 20 0 GBADLO Cc1noc(NC(=O)Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)n1 ZINC000375793441 1072776718 /nfs/dbraw/zinc/77/67/18/1072776718.db2.gz NMCZIAIQDKJSMV-AWEZNQCLSA-N 1 2 384.400 -0.001 20 0 GBADLO Cc1noc(NC(=O)Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)n1 ZINC000375793441 1072776707 /nfs/dbraw/zinc/77/67/07/1072776707.db2.gz NMCZIAIQDKJSMV-AWEZNQCLSA-N 1 2 384.400 -0.001 20 0 GBADLO Cc1noc(NC(=O)Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)n1 ZINC000375793447 1072776756 /nfs/dbraw/zinc/77/67/56/1072776756.db2.gz NMCZIAIQDKJSMV-CQSZACIVSA-N 1 2 384.400 -0.001 20 0 GBADLO Cc1noc(NC(=O)Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)n1 ZINC000375793447 1072776747 /nfs/dbraw/zinc/77/67/47/1072776747.db2.gz NMCZIAIQDKJSMV-CQSZACIVSA-N 1 2 384.400 -0.001 20 0 GBADLO C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)C(=O)N(C)C ZINC000375801848 1072785680 /nfs/dbraw/zinc/78/56/80/1072785680.db2.gz OMDOZCBRUGJANC-KKUMJFAQSA-N 1 2 384.477 -0.051 20 0 GBADLO C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)C(=O)N(C)C ZINC000375801848 1072785674 /nfs/dbraw/zinc/78/56/74/1072785674.db2.gz OMDOZCBRUGJANC-KKUMJFAQSA-N 1 2 384.477 -0.051 20 0 GBADLO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1)C(=O)N(C)C ZINC000375801849 1072785720 /nfs/dbraw/zinc/78/57/20/1072785720.db2.gz OMDOZCBRUGJANC-RRFJBIMHSA-N 1 2 384.477 -0.051 20 0 GBADLO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1)C(=O)N(C)C ZINC000375801849 1072785714 /nfs/dbraw/zinc/78/57/14/1072785714.db2.gz OMDOZCBRUGJANC-RRFJBIMHSA-N 1 2 384.477 -0.051 20 0 GBADLO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1)C(=O)N(C)C ZINC000375801850 1072785564 /nfs/dbraw/zinc/78/55/64/1072785564.db2.gz OMDOZCBRUGJANC-SOUVJXGZSA-N 1 2 384.477 -0.051 20 0 GBADLO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1)C(=O)N(C)C ZINC000375801850 1072785555 /nfs/dbraw/zinc/78/55/55/1072785555.db2.gz OMDOZCBRUGJANC-SOUVJXGZSA-N 1 2 384.477 -0.051 20 0 GBADLO C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1)C(=O)N(C)C ZINC000375801851 1072785759 /nfs/dbraw/zinc/78/57/59/1072785759.db2.gz OMDOZCBRUGJANC-ZNMIVQPWSA-N 1 2 384.477 -0.051 20 0 GBADLO C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1)C(=O)N(C)C ZINC000375801851 1072785753 /nfs/dbraw/zinc/78/57/53/1072785753.db2.gz OMDOZCBRUGJANC-ZNMIVQPWSA-N 1 2 384.477 -0.051 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(Cc3nc(N)nc(N)n3)C2)CC1 ZINC000375890042 1072812908 /nfs/dbraw/zinc/81/29/08/1072812908.db2.gz RAQGQZCGVAAVJY-GFCCVEGCSA-N 1 2 378.481 -0.176 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(Cc3nc(N)nc(N)n3)C2)CC1 ZINC000375890043 1072812666 /nfs/dbraw/zinc/81/26/66/1072812666.db2.gz RAQGQZCGVAAVJY-LBPRGKRZSA-N 1 2 378.481 -0.176 20 0 GBADLO CC(C)[C@@H](O)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000375910000 1072815787 /nfs/dbraw/zinc/81/57/87/1072815787.db2.gz PNJUENMIYLCQSQ-RHSMWYFYSA-N 1 2 377.489 -0.034 20 0 GBADLO CC(C)[C@@H](O)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000375910001 1072815666 /nfs/dbraw/zinc/81/56/66/1072815666.db2.gz PNJUENMIYLCQSQ-WMLDXEAASA-N 1 2 377.489 -0.034 20 0 GBADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000375933482 530321283 /nfs/dbraw/zinc/32/12/83/530321283.db2.gz OZPUKRBSYFMBRQ-CYBMUJFWSA-N 1 2 391.519 -0.579 20 0 GBADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000375933483 530321439 /nfs/dbraw/zinc/32/14/39/530321439.db2.gz OZPUKRBSYFMBRQ-ZDUSSCGKSA-N 1 2 391.519 -0.579 20 0 GBADLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC2)n1 ZINC000375936217 1072821701 /nfs/dbraw/zinc/82/17/01/1072821701.db2.gz ZNIUZJSQKSIBEK-LLVKDONJSA-N 1 2 380.449 -0.246 20 0 GBADLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC2)n1 ZINC000375936218 1072821542 /nfs/dbraw/zinc/82/15/42/1072821542.db2.gz ZNIUZJSQKSIBEK-NSHDSACASA-N 1 2 380.449 -0.246 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000376045154 530321928 /nfs/dbraw/zinc/32/19/28/530321928.db2.gz DMGPEVHFMOZCHG-HNNXBMFYSA-N 1 2 395.547 -0.462 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000376045159 530321958 /nfs/dbraw/zinc/32/19/58/530321958.db2.gz DMGPEVHFMOZCHG-OAHLLOKOSA-N 1 2 395.547 -0.462 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)Nc2ccc(N3CCOCC3)nc2)CCO1 ZINC000376064285 1072868567 /nfs/dbraw/zinc/86/85/67/1072868567.db2.gz CVSGXFDOESILOB-HNNXBMFYSA-N 1 2 392.460 -0.432 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)Nc2ccc(N3CCOCC3)nc2)CCO1 ZINC000376064285 1072868560 /nfs/dbraw/zinc/86/85/60/1072868560.db2.gz CVSGXFDOESILOB-HNNXBMFYSA-N 1 2 392.460 -0.432 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)Nc2ccc(N3CCOCC3)nc2)CCO1 ZINC000376064287 1072868227 /nfs/dbraw/zinc/86/82/27/1072868227.db2.gz CVSGXFDOESILOB-OAHLLOKOSA-N 1 2 392.460 -0.432 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)Nc2ccc(N3CCOCC3)nc2)CCO1 ZINC000376064287 1072868210 /nfs/dbraw/zinc/86/82/10/1072868210.db2.gz CVSGXFDOESILOB-OAHLLOKOSA-N 1 2 392.460 -0.432 20 0 GBADLO CC(C)Nc1nc(N2CCC(c3nnc4n3CCC4)CC2)nc(NCCO)[nH+]1 ZINC000376156432 1072894123 /nfs/dbraw/zinc/89/41/23/1072894123.db2.gz GZTHXDWHNLTDRN-UHFFFAOYSA-N 1 2 387.492 -0.138 20 0 GBADLO Cn1cnn(CC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1=O ZINC000376173134 1072900524 /nfs/dbraw/zinc/90/05/24/1072900524.db2.gz IQPRYZFAJXBSCL-AWEZNQCLSA-N 1 2 394.476 -0.265 20 0 GBADLO Cn1cnn(CC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1=O ZINC000376173135 1072900718 /nfs/dbraw/zinc/90/07/18/1072900718.db2.gz IQPRYZFAJXBSCL-CQSZACIVSA-N 1 2 394.476 -0.265 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000376174416 1072899582 /nfs/dbraw/zinc/89/95/82/1072899582.db2.gz QXSUNAYOVDRNGL-OLZOCXBDSA-N 1 2 395.460 -0.262 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000376174617 1072899706 /nfs/dbraw/zinc/89/97/06/1072899706.db2.gz QXSUNAYOVDRNGL-STQMWFEESA-N 1 2 395.460 -0.262 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177871 530479074 /nfs/dbraw/zinc/47/90/74/530479074.db2.gz LWJBSVTYJQCWTA-CHWSQXEVSA-N 1 2 376.479 -0.653 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177871 530479072 /nfs/dbraw/zinc/47/90/72/530479072.db2.gz LWJBSVTYJQCWTA-CHWSQXEVSA-N 1 2 376.479 -0.653 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177872 530479296 /nfs/dbraw/zinc/47/92/96/530479296.db2.gz LWJBSVTYJQCWTA-OLZOCXBDSA-N 1 2 376.479 -0.653 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177872 530479294 /nfs/dbraw/zinc/47/92/94/530479294.db2.gz LWJBSVTYJQCWTA-OLZOCXBDSA-N 1 2 376.479 -0.653 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177873 530479355 /nfs/dbraw/zinc/47/93/55/530479355.db2.gz LWJBSVTYJQCWTA-QWHCGFSZSA-N 1 2 376.479 -0.653 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177873 530479352 /nfs/dbraw/zinc/47/93/52/530479352.db2.gz LWJBSVTYJQCWTA-QWHCGFSZSA-N 1 2 376.479 -0.653 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177874 530479018 /nfs/dbraw/zinc/47/90/18/530479018.db2.gz LWJBSVTYJQCWTA-STQMWFEESA-N 1 2 376.479 -0.653 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000376177874 530479016 /nfs/dbraw/zinc/47/90/16/530479016.db2.gz LWJBSVTYJQCWTA-STQMWFEESA-N 1 2 376.479 -0.653 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 ZINC000376178633 1072901405 /nfs/dbraw/zinc/90/14/05/1072901405.db2.gz SMTOTQVCKWDWHP-UHFFFAOYSA-N 1 2 394.497 -0.359 20 0 GBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376186598 1073804308 /nfs/dbraw/zinc/80/43/08/1073804308.db2.gz IBYXSNMXVCLZDP-HZSPNIEDSA-N 1 2 385.490 -0.592 20 0 GBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376186600 1073804802 /nfs/dbraw/zinc/80/48/02/1073804802.db2.gz IBYXSNMXVCLZDP-IHRRRGAJSA-N 1 2 385.490 -0.592 20 0 GBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376186602 1072903672 /nfs/dbraw/zinc/90/36/72/1072903672.db2.gz IBYXSNMXVCLZDP-MELADBBJSA-N 1 2 385.490 -0.592 20 0 GBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376186603 1072904211 /nfs/dbraw/zinc/90/42/11/1072904211.db2.gz IBYXSNMXVCLZDP-RDBSUJKOSA-N 1 2 385.490 -0.592 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 ZINC000376187271 1072903843 /nfs/dbraw/zinc/90/38/43/1072903843.db2.gz JUDMBIZRIQLMIT-CYBMUJFWSA-N 1 2 395.460 -0.308 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 ZINC000376187275 1072904379 /nfs/dbraw/zinc/90/43/79/1072904379.db2.gz JUDMBIZRIQLMIT-ZDUSSCGKSA-N 1 2 395.460 -0.308 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CN3CCOCC3=O)C2)CC1 ZINC000376199480 1072908044 /nfs/dbraw/zinc/90/80/44/1072908044.db2.gz NHPHHBUOSUINJT-HNNXBMFYSA-N 1 2 396.488 -0.001 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)CC1 ZINC000376199481 1072907768 /nfs/dbraw/zinc/90/77/68/1072907768.db2.gz NHPHHBUOSUINJT-OAHLLOKOSA-N 1 2 396.488 -0.001 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000376202003 1072909006 /nfs/dbraw/zinc/90/90/06/1072909006.db2.gz YBTFFNNXJKRTPM-UHFFFAOYSA-N 1 2 386.474 -0.057 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000376202003 1072908998 /nfs/dbraw/zinc/90/89/98/1072908998.db2.gz YBTFFNNXJKRTPM-UHFFFAOYSA-N 1 2 386.474 -0.057 20 0 GBADLO CC(C)Nc1nc(N2CCC[C@H](N3CCCCC3=O)C2)nc(NCCO)[nH+]1 ZINC000376224487 1072924066 /nfs/dbraw/zinc/92/40/66/1072924066.db2.gz BEWNIVALLNQEID-AWEZNQCLSA-N 1 2 377.493 -0.079 20 0 GBADLO CC(C)Nc1nc(N2CCC[C@@H](N3CCCCC3=O)C2)nc(NCCO)[nH+]1 ZINC000376224489 1072924406 /nfs/dbraw/zinc/92/44/06/1072924406.db2.gz BEWNIVALLNQEID-CQSZACIVSA-N 1 2 377.493 -0.079 20 0 GBADLO Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cn1C ZINC000376227448 1072925993 /nfs/dbraw/zinc/92/59/93/1072925993.db2.gz JCDAWQKMXNSYQA-DZGCQCFKSA-N 1 2 399.517 -0.281 20 0 GBADLO Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cn1C ZINC000376227450 1072926015 /nfs/dbraw/zinc/92/60/15/1072926015.db2.gz JCDAWQKMXNSYQA-HIFRSBDPSA-N 1 2 399.517 -0.281 20 0 GBADLO Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cn1C ZINC000376227451 1072926057 /nfs/dbraw/zinc/92/60/57/1072926057.db2.gz JCDAWQKMXNSYQA-UKRRQHHQSA-N 1 2 399.517 -0.281 20 0 GBADLO Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cn1C ZINC000376227452 1072925964 /nfs/dbraw/zinc/92/59/64/1072925964.db2.gz JCDAWQKMXNSYQA-ZFWWWQNUSA-N 1 2 399.517 -0.281 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](CO)NC(N)=O)C2)CC1 ZINC000376235556 1072930288 /nfs/dbraw/zinc/93/02/88/1072930288.db2.gz TZKRIRFFMZBKKR-CHWSQXEVSA-N 1 2 385.465 -0.831 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H](CO)NC(N)=O)C2)CC1 ZINC000376235557 1072930451 /nfs/dbraw/zinc/93/04/51/1072930451.db2.gz TZKRIRFFMZBKKR-OLZOCXBDSA-N 1 2 385.465 -0.831 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H](CO)NC(N)=O)C2)CC1 ZINC000376235558 1072929924 /nfs/dbraw/zinc/92/99/24/1072929924.db2.gz TZKRIRFFMZBKKR-QWHCGFSZSA-N 1 2 385.465 -0.831 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H](CO)NC(N)=O)C2)CC1 ZINC000376235559 1072930498 /nfs/dbraw/zinc/93/04/98/1072930498.db2.gz TZKRIRFFMZBKKR-STQMWFEESA-N 1 2 385.465 -0.831 20 0 GBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1C ZINC000376246931 1072933494 /nfs/dbraw/zinc/93/34/94/1072933494.db2.gz ILRNDMGIBPJIOK-CHWSQXEVSA-N 1 2 399.469 -0.088 20 0 GBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1C ZINC000376246931 1072933486 /nfs/dbraw/zinc/93/34/86/1072933486.db2.gz ILRNDMGIBPJIOK-CHWSQXEVSA-N 1 2 399.469 -0.088 20 0 GBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1C ZINC000376246932 1072933418 /nfs/dbraw/zinc/93/34/18/1072933418.db2.gz ILRNDMGIBPJIOK-OLZOCXBDSA-N 1 2 399.469 -0.088 20 0 GBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1C ZINC000376246932 1072933415 /nfs/dbraw/zinc/93/34/15/1072933415.db2.gz ILRNDMGIBPJIOK-OLZOCXBDSA-N 1 2 399.469 -0.088 20 0 GBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1C ZINC000376246933 1072933001 /nfs/dbraw/zinc/93/30/01/1072933001.db2.gz ILRNDMGIBPJIOK-QWHCGFSZSA-N 1 2 399.469 -0.088 20 0 GBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1C ZINC000376246933 1072932992 /nfs/dbraw/zinc/93/29/92/1072932992.db2.gz ILRNDMGIBPJIOK-QWHCGFSZSA-N 1 2 399.469 -0.088 20 0 GBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1C ZINC000376246934 1072933365 /nfs/dbraw/zinc/93/33/65/1072933365.db2.gz ILRNDMGIBPJIOK-STQMWFEESA-N 1 2 399.469 -0.088 20 0 GBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1C ZINC000376246934 1072933356 /nfs/dbraw/zinc/93/33/56/1072933356.db2.gz ILRNDMGIBPJIOK-STQMWFEESA-N 1 2 399.469 -0.088 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000376297630 530322346 /nfs/dbraw/zinc/32/23/46/530322346.db2.gz BOFZXRRYUUJTBN-CABCVRRESA-N 1 2 375.539 -0.312 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000376297631 530322225 /nfs/dbraw/zinc/32/22/25/530322225.db2.gz BOFZXRRYUUJTBN-GJZGRUSLSA-N 1 2 375.539 -0.312 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000376297632 530322212 /nfs/dbraw/zinc/32/22/12/530322212.db2.gz BOFZXRRYUUJTBN-HUUCEWRRSA-N 1 2 375.539 -0.312 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000376297633 530322116 /nfs/dbraw/zinc/32/21/16/530322116.db2.gz BOFZXRRYUUJTBN-LSDHHAIUSA-N 1 2 375.539 -0.312 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376315681 1072946652 /nfs/dbraw/zinc/94/66/52/1072946652.db2.gz WDVPMSDWTQVUKK-DOTOQJQBSA-N 1 2 395.504 -0.428 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000376315682 1072947520 /nfs/dbraw/zinc/94/75/20/1072947520.db2.gz WDVPMSDWTQVUKK-NVXWUHKLSA-N 1 2 395.504 -0.428 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376315683 1072947562 /nfs/dbraw/zinc/94/75/62/1072947562.db2.gz WDVPMSDWTQVUKK-RDJZCZTQSA-N 1 2 395.504 -0.428 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000376315684 1072947868 /nfs/dbraw/zinc/94/78/68/1072947868.db2.gz WDVPMSDWTQVUKK-WBVHZDCISA-N 1 2 395.504 -0.428 20 0 GBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000376323717 1072948726 /nfs/dbraw/zinc/94/87/26/1072948726.db2.gz RBCOFZBLRUYKCC-UHFFFAOYSA-N 1 2 393.506 -0.284 20 0 GBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000376323717 1072948723 /nfs/dbraw/zinc/94/87/23/1072948723.db2.gz RBCOFZBLRUYKCC-UHFFFAOYSA-N 1 2 393.506 -0.284 20 0 GBADLO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000376323756 1072948516 /nfs/dbraw/zinc/94/85/16/1072948516.db2.gz JLTGETKVXXBGPK-CYBMUJFWSA-N 1 2 390.419 0.178 20 0 GBADLO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000376323756 1072948505 /nfs/dbraw/zinc/94/85/05/1072948505.db2.gz JLTGETKVXXBGPK-CYBMUJFWSA-N 1 2 390.419 0.178 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 ZINC000376324607 1072948712 /nfs/dbraw/zinc/94/87/12/1072948712.db2.gz YYWAHJGWQKWPBD-UHFFFAOYSA-N 1 2 383.474 -0.774 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 ZINC000376324607 1072948708 /nfs/dbraw/zinc/94/87/08/1072948708.db2.gz YYWAHJGWQKWPBD-UHFFFAOYSA-N 1 2 383.474 -0.774 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCO[C@]2(CCOC2)C1 ZINC000376386717 1072966111 /nfs/dbraw/zinc/96/61/11/1072966111.db2.gz OMUNHCDKLDFOKI-GOSISDBHSA-N 1 2 376.461 -0.201 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCO[C@@]2(CCOC2)C1 ZINC000376386718 1072966072 /nfs/dbraw/zinc/96/60/72/1072966072.db2.gz OMUNHCDKLDFOKI-SFHVURJKSA-N 1 2 376.461 -0.201 20 0 GBADLO CC(C)Nc1nc(N2CCC(N3CCCCC3=O)CC2)nc(NCCO)[nH+]1 ZINC000376402606 1072971583 /nfs/dbraw/zinc/97/15/83/1072971583.db2.gz JMUPYFMXAFBGMH-UHFFFAOYSA-N 1 2 377.493 -0.079 20 0 GBADLO CCOC1CC(CNC(=O)C2=NN(CCO)C(=O)CC2)([NH+]2CCOCC2)C1 ZINC000376427420 1072979775 /nfs/dbraw/zinc/97/97/75/1072979775.db2.gz KNPCEUYQTNFPIL-UHFFFAOYSA-N 1 2 382.461 -0.657 20 0 GBADLO COc1cnc(N2CC[N@H+]3CCOC[C@@H]3C2)nc1N1CCN2CCOC[C@H]2C1 ZINC000376432142 1072980605 /nfs/dbraw/zinc/98/06/05/1072980605.db2.gz CSMNFGWYCCBLIA-CVEARBPZSA-N 1 2 390.488 -0.473 20 0 GBADLO COc1cnc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc1N1CCN2CCOC[C@H]2C1 ZINC000376432142 1072980598 /nfs/dbraw/zinc/98/05/98/1072980598.db2.gz CSMNFGWYCCBLIA-CVEARBPZSA-N 1 2 390.488 -0.473 20 0 GBADLO COc1cnc(N2CC[N@H+]3CCOC[C@@H]3C2)nc1N1CCN2CCOC[C@@H]2C1 ZINC000376432143 1072980774 /nfs/dbraw/zinc/98/07/74/1072980774.db2.gz CSMNFGWYCCBLIA-HOTGVXAUSA-N 1 2 390.488 -0.473 20 0 GBADLO COc1cnc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc1N1CCN2CCOC[C@@H]2C1 ZINC000376432143 1072980762 /nfs/dbraw/zinc/98/07/62/1072980762.db2.gz CSMNFGWYCCBLIA-HOTGVXAUSA-N 1 2 390.488 -0.473 20 0 GBADLO COc1cnc(N2CC[N@H+]3CCOC[C@H]3C2)nc1N1CCN2CCOC[C@H]2C1 ZINC000376432144 1072980495 /nfs/dbraw/zinc/98/04/95/1072980495.db2.gz CSMNFGWYCCBLIA-HZPDHXFCSA-N 1 2 390.488 -0.473 20 0 GBADLO COc1cnc(N2CC[N@@H+]3CCOC[C@H]3C2)nc1N1CCN2CCOC[C@H]2C1 ZINC000376432144 1072980487 /nfs/dbraw/zinc/98/04/87/1072980487.db2.gz CSMNFGWYCCBLIA-HZPDHXFCSA-N 1 2 390.488 -0.473 20 0 GBADLO COc1cnc(N2CC[N@H+]3CCOC[C@H]3C2)nc1N1CCN2CCOC[C@@H]2C1 ZINC000376432145 1072980535 /nfs/dbraw/zinc/98/05/35/1072980535.db2.gz CSMNFGWYCCBLIA-JKSUJKDBSA-N 1 2 390.488 -0.473 20 0 GBADLO COc1cnc(N2CC[N@@H+]3CCOC[C@H]3C2)nc1N1CCN2CCOC[C@@H]2C1 ZINC000376432145 1072980532 /nfs/dbraw/zinc/98/05/32/1072980532.db2.gz CSMNFGWYCCBLIA-JKSUJKDBSA-N 1 2 390.488 -0.473 20 0 GBADLO CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376440770 530322586 /nfs/dbraw/zinc/32/25/86/530322586.db2.gz IPRUMFGPSUMLFN-KBPBESRZSA-N 1 2 377.511 -0.677 20 0 GBADLO CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376440775 530322569 /nfs/dbraw/zinc/32/25/69/530322569.db2.gz IPRUMFGPSUMLFN-KGLIPLIRSA-N 1 2 377.511 -0.677 20 0 GBADLO CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376440777 530322698 /nfs/dbraw/zinc/32/26/98/530322698.db2.gz IPRUMFGPSUMLFN-UONOGXRCSA-N 1 2 377.511 -0.677 20 0 GBADLO CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376440779 530322536 /nfs/dbraw/zinc/32/25/36/530322536.db2.gz IPRUMFGPSUMLFN-ZIAGYGMSSA-N 1 2 377.511 -0.677 20 0 GBADLO CC(C)Nc1nc(N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376445962 1072983448 /nfs/dbraw/zinc/98/34/48/1072983448.db2.gz AOKHNJRMBFVWDJ-DZGCQCFKSA-N 1 2 389.504 -0.080 20 0 GBADLO CC(C)Nc1nc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376445963 1072983853 /nfs/dbraw/zinc/98/38/53/1072983853.db2.gz AOKHNJRMBFVWDJ-HIFRSBDPSA-N 1 2 389.504 -0.080 20 0 GBADLO CC(C)Nc1nc(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376445964 1072984131 /nfs/dbraw/zinc/98/41/31/1072984131.db2.gz AOKHNJRMBFVWDJ-UKRRQHHQSA-N 1 2 389.504 -0.080 20 0 GBADLO CC(C)Nc1nc(N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)nc(NCCO)[nH+]1 ZINC000376445965 1072983831 /nfs/dbraw/zinc/98/38/31/1072983831.db2.gz AOKHNJRMBFVWDJ-ZFWWWQNUSA-N 1 2 389.504 -0.080 20 0 GBADLO CC(C)Nc1nc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)nc(NCCO)[nH+]1 ZINC000376461179 1072987293 /nfs/dbraw/zinc/98/72/93/1072987293.db2.gz LKAZRAHQAPGBAU-UHFFFAOYSA-N 1 2 387.492 -0.133 20 0 GBADLO CCN1C(=O)[C@@H]2CN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000376483989 1072994986 /nfs/dbraw/zinc/99/49/86/1072994986.db2.gz KLAOQDSIDXBXQG-HNNXBMFYSA-N 1 2 386.456 -0.302 20 0 GBADLO CCN1C(=O)[C@H]2CN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)CCN2C1=O ZINC000376483992 1072995156 /nfs/dbraw/zinc/99/51/56/1072995156.db2.gz KLAOQDSIDXBXQG-OAHLLOKOSA-N 1 2 386.456 -0.302 20 0 GBADLO COC(=O)C[C@@H]1COCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376539506 1073010722 /nfs/dbraw/zinc/01/07/22/1073010722.db2.gz IHRGXFSTAPGMMZ-CYBMUJFWSA-N 1 2 396.444 -0.074 20 0 GBADLO COC(=O)C[C@@H]1COCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376539506 1073010710 /nfs/dbraw/zinc/01/07/10/1073010710.db2.gz IHRGXFSTAPGMMZ-CYBMUJFWSA-N 1 2 396.444 -0.074 20 0 GBADLO COC(=O)C[C@H]1COCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376539509 1073010643 /nfs/dbraw/zinc/01/06/43/1073010643.db2.gz IHRGXFSTAPGMMZ-ZDUSSCGKSA-N 1 2 396.444 -0.074 20 0 GBADLO COC(=O)C[C@H]1COCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376539509 1073010633 /nfs/dbraw/zinc/01/06/33/1073010633.db2.gz IHRGXFSTAPGMMZ-ZDUSSCGKSA-N 1 2 396.444 -0.074 20 0 GBADLO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H](O)C[NH+]2CCOCC2)on1 ZINC000376613041 1073077601 /nfs/dbraw/zinc/07/76/01/1073077601.db2.gz WYUYWDGONOWKRN-HRCADAONSA-N 1 2 399.467 -0.112 20 0 GBADLO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H](O)C[NH+]2CCOCC2)on1 ZINC000376613042 1073077655 /nfs/dbraw/zinc/07/76/55/1073077655.db2.gz WYUYWDGONOWKRN-JYJNAYRXSA-N 1 2 399.467 -0.112 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 ZINC000376618057 1073084296 /nfs/dbraw/zinc/08/42/96/1073084296.db2.gz WYXNYMXAKHFACZ-CYBMUJFWSA-N 1 2 380.411 -0.128 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 ZINC000376618057 1073084284 /nfs/dbraw/zinc/08/42/84/1073084284.db2.gz WYXNYMXAKHFACZ-CYBMUJFWSA-N 1 2 380.411 -0.128 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 ZINC000376618058 1073084098 /nfs/dbraw/zinc/08/40/98/1073084098.db2.gz WYXNYMXAKHFACZ-ZDUSSCGKSA-N 1 2 380.411 -0.128 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 ZINC000376618058 1073084089 /nfs/dbraw/zinc/08/40/89/1073084089.db2.gz WYXNYMXAKHFACZ-ZDUSSCGKSA-N 1 2 380.411 -0.128 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000376649847 1073086940 /nfs/dbraw/zinc/08/69/40/1073086940.db2.gz ZFRCDMOQNVJTGB-DOTOQJQBSA-N 1 2 387.440 -0.376 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000376649848 1073086908 /nfs/dbraw/zinc/08/69/08/1073086908.db2.gz ZFRCDMOQNVJTGB-NVXWUHKLSA-N 1 2 387.440 -0.376 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000376649849 1073086380 /nfs/dbraw/zinc/08/63/80/1073086380.db2.gz ZFRCDMOQNVJTGB-RDJZCZTQSA-N 1 2 387.440 -0.376 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000376649850 1073086880 /nfs/dbraw/zinc/08/68/80/1073086880.db2.gz ZFRCDMOQNVJTGB-WBVHZDCISA-N 1 2 387.440 -0.376 20 0 GBADLO C[C@@H](OCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nccn1C ZINC000376662242 1073087602 /nfs/dbraw/zinc/08/76/02/1073087602.db2.gz ZGGTUUIHSSYFOL-CABCVRRESA-N 1 2 379.461 -0.453 20 0 GBADLO C[C@H](OCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nccn1C ZINC000376662243 1073087834 /nfs/dbraw/zinc/08/78/34/1073087834.db2.gz ZGGTUUIHSSYFOL-GJZGRUSLSA-N 1 2 379.461 -0.453 20 0 GBADLO C[C@@H](OCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nccn1C ZINC000376662244 1073087423 /nfs/dbraw/zinc/08/74/23/1073087423.db2.gz ZGGTUUIHSSYFOL-HUUCEWRRSA-N 1 2 379.461 -0.453 20 0 GBADLO C[C@H](OCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nccn1C ZINC000376662245 1073087243 /nfs/dbraw/zinc/08/72/43/1073087243.db2.gz ZGGTUUIHSSYFOL-LSDHHAIUSA-N 1 2 379.461 -0.453 20 0 GBADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000376717273 1073105882 /nfs/dbraw/zinc/10/58/82/1073105882.db2.gz YZQMDIJZJPJAIW-AWEZNQCLSA-N 1 2 383.474 -0.833 20 0 GBADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000376717277 1073105893 /nfs/dbraw/zinc/10/58/93/1073105893.db2.gz YZQMDIJZJPJAIW-CQSZACIVSA-N 1 2 383.474 -0.833 20 0 GBADLO CC(C)N1C(=S)N=NC1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000376740783 1073111871 /nfs/dbraw/zinc/11/18/71/1073111871.db2.gz YVTPSNMENYTDKK-CYBMUJFWSA-N 1 2 396.517 -0.055 20 0 GBADLO CC(C)N1C(=S)N=NC1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000376740784 1073111834 /nfs/dbraw/zinc/11/18/34/1073111834.db2.gz YVTPSNMENYTDKK-ZDUSSCGKSA-N 1 2 396.517 -0.055 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1 ZINC000376784114 1073116628 /nfs/dbraw/zinc/11/66/28/1073116628.db2.gz FEMORDXJDCVLSV-UHFFFAOYSA-N 1 2 391.407 -0.161 20 0 GBADLO CCNS(=O)(=O)[C@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000376812342 530323100 /nfs/dbraw/zinc/32/31/00/530323100.db2.gz WORMSMNJBQRHJA-AWEZNQCLSA-N 1 2 376.523 -0.773 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000376812349 530323067 /nfs/dbraw/zinc/32/30/67/530323067.db2.gz WORMSMNJBQRHJA-CQSZACIVSA-N 1 2 376.523 -0.773 20 0 GBADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000376833148 530323136 /nfs/dbraw/zinc/32/31/36/530323136.db2.gz QGKBEHJRMKPYTR-HNNXBMFYSA-N 1 2 377.507 -0.394 20 0 GBADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000376833148 530323134 /nfs/dbraw/zinc/32/31/34/530323134.db2.gz QGKBEHJRMKPYTR-HNNXBMFYSA-N 1 2 377.507 -0.394 20 0 GBADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000376833159 530322982 /nfs/dbraw/zinc/32/29/82/530322982.db2.gz QGKBEHJRMKPYTR-OAHLLOKOSA-N 1 2 377.507 -0.394 20 0 GBADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000376833159 530322978 /nfs/dbraw/zinc/32/29/78/530322978.db2.gz QGKBEHJRMKPYTR-OAHLLOKOSA-N 1 2 377.507 -0.394 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000376846572 1073118999 /nfs/dbraw/zinc/11/89/99/1073118999.db2.gz PXMCUWULGCKLAF-CABCVRRESA-N 1 2 397.501 -0.136 20 0 GBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000376846574 1073119033 /nfs/dbraw/zinc/11/90/33/1073119033.db2.gz PXMCUWULGCKLAF-GJZGRUSLSA-N 1 2 397.501 -0.136 20 0 GBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000376846575 1073119022 /nfs/dbraw/zinc/11/90/22/1073119022.db2.gz PXMCUWULGCKLAF-HUUCEWRRSA-N 1 2 397.501 -0.136 20 0 GBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000376846580 1073119269 /nfs/dbraw/zinc/11/92/69/1073119269.db2.gz PXMCUWULGCKLAF-LSDHHAIUSA-N 1 2 397.501 -0.136 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@H](C(=O)N4CCOCC4)C3)nc[nH+]2)CC1=O ZINC000376882171 1073120961 /nfs/dbraw/zinc/12/09/61/1073120961.db2.gz OIYLNGKRZMBVEQ-HNNXBMFYSA-N 1 2 388.472 -0.170 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@H](C(=O)N4CCOCC4)C3)[nH+]cn2)CC1=O ZINC000376882171 1073120957 /nfs/dbraw/zinc/12/09/57/1073120957.db2.gz OIYLNGKRZMBVEQ-HNNXBMFYSA-N 1 2 388.472 -0.170 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)nc[nH+]2)CC1=O ZINC000376882172 1073120741 /nfs/dbraw/zinc/12/07/41/1073120741.db2.gz OIYLNGKRZMBVEQ-OAHLLOKOSA-N 1 2 388.472 -0.170 20 0 GBADLO CN1CCN(c2cc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)[nH+]cn2)CC1=O ZINC000376882172 1073120734 /nfs/dbraw/zinc/12/07/34/1073120734.db2.gz OIYLNGKRZMBVEQ-OAHLLOKOSA-N 1 2 388.472 -0.170 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000376900745 1073121507 /nfs/dbraw/zinc/12/15/07/1073121507.db2.gz ALLGNGZLAPFDRZ-DLBZAZTESA-N 1 2 383.489 -0.038 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCCC[C@H]1CCO ZINC000376907173 1073122807 /nfs/dbraw/zinc/12/28/07/1073122807.db2.gz ICVNYFDECRXWSV-INIZCTEOSA-N 1 2 379.461 -0.083 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCCC[C@@H]1CCO ZINC000376907174 1073122606 /nfs/dbraw/zinc/12/26/06/1073122606.db2.gz ICVNYFDECRXWSV-MRXNPFEDSA-N 1 2 379.461 -0.083 20 0 GBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000376926166 1073123457 /nfs/dbraw/zinc/12/34/57/1073123457.db2.gz RIUBGYJSUMEORQ-AWEZNQCLSA-N 1 2 388.486 -0.180 20 0 GBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000376926169 1073123388 /nfs/dbraw/zinc/12/33/88/1073123388.db2.gz RIUBGYJSUMEORQ-CQSZACIVSA-N 1 2 388.486 -0.180 20 0 GBADLO O=C(CN1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1)N1CCOCC1 ZINC000376936832 1073123711 /nfs/dbraw/zinc/12/37/11/1073123711.db2.gz GKBXOXJRUPPMMZ-GOSISDBHSA-N 1 2 394.516 -0.510 20 0 GBADLO O=C(CN1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1)N1CCOCC1 ZINC000376936832 1073123701 /nfs/dbraw/zinc/12/37/01/1073123701.db2.gz GKBXOXJRUPPMMZ-GOSISDBHSA-N 1 2 394.516 -0.510 20 0 GBADLO O=C(CN1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1)N1CCOCC1 ZINC000376936833 1073123854 /nfs/dbraw/zinc/12/38/54/1073123854.db2.gz GKBXOXJRUPPMMZ-SFHVURJKSA-N 1 2 394.516 -0.510 20 0 GBADLO O=C(CN1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1)N1CCOCC1 ZINC000376936833 1073123847 /nfs/dbraw/zinc/12/38/47/1073123847.db2.gz GKBXOXJRUPPMMZ-SFHVURJKSA-N 1 2 394.516 -0.510 20 0 GBADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000376951578 1073124509 /nfs/dbraw/zinc/12/45/09/1073124509.db2.gz JJGXKFDBVVXCAJ-UONOGXRCSA-N 1 2 384.477 -0.051 20 0 GBADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000376951582 1073124355 /nfs/dbraw/zinc/12/43/55/1073124355.db2.gz JJGXKFDBVVXCAJ-ZIAGYGMSSA-N 1 2 384.477 -0.051 20 0 GBADLO COCCN1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1=O ZINC000376959090 1073124337 /nfs/dbraw/zinc/12/43/37/1073124337.db2.gz WHNUGZLHTRGICK-UHFFFAOYSA-N 1 2 394.476 -0.072 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000376983753 530323308 /nfs/dbraw/zinc/32/33/08/530323308.db2.gz WZNBBPZGJZKEEW-KBPBESRZSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000376983753 530323307 /nfs/dbraw/zinc/32/33/07/530323307.db2.gz WZNBBPZGJZKEEW-KBPBESRZSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000376983754 530323313 /nfs/dbraw/zinc/32/33/13/530323313.db2.gz WZNBBPZGJZKEEW-KGLIPLIRSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000376983754 530323311 /nfs/dbraw/zinc/32/33/11/530323311.db2.gz WZNBBPZGJZKEEW-KGLIPLIRSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000376983755 530323350 /nfs/dbraw/zinc/32/33/50/530323350.db2.gz WZNBBPZGJZKEEW-UONOGXRCSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000376983755 530323348 /nfs/dbraw/zinc/32/33/48/530323348.db2.gz WZNBBPZGJZKEEW-UONOGXRCSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000376983756 530323572 /nfs/dbraw/zinc/32/35/72/530323572.db2.gz WZNBBPZGJZKEEW-ZIAGYGMSSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000376983756 530323570 /nfs/dbraw/zinc/32/35/70/530323570.db2.gz WZNBBPZGJZKEEW-ZIAGYGMSSA-N 1 2 375.491 -0.198 20 0 GBADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376994878 1073128381 /nfs/dbraw/zinc/12/83/81/1073128381.db2.gz NSTJWRAAYGQGLQ-GXTWGEPZSA-N 1 2 396.444 -0.339 20 0 GBADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376994878 1073128374 /nfs/dbraw/zinc/12/83/74/1073128374.db2.gz NSTJWRAAYGQGLQ-GXTWGEPZSA-N 1 2 396.444 -0.339 20 0 GBADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376994879 1073127960 /nfs/dbraw/zinc/12/79/60/1073127960.db2.gz NSTJWRAAYGQGLQ-JSGCOSHPSA-N 1 2 396.444 -0.339 20 0 GBADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376994879 1073127958 /nfs/dbraw/zinc/12/79/58/1073127958.db2.gz NSTJWRAAYGQGLQ-JSGCOSHPSA-N 1 2 396.444 -0.339 20 0 GBADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376994880 1073128213 /nfs/dbraw/zinc/12/82/13/1073128213.db2.gz NSTJWRAAYGQGLQ-OCCSQVGLSA-N 1 2 396.444 -0.339 20 0 GBADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376994880 1073128208 /nfs/dbraw/zinc/12/82/08/1073128208.db2.gz NSTJWRAAYGQGLQ-OCCSQVGLSA-N 1 2 396.444 -0.339 20 0 GBADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376994881 1073128482 /nfs/dbraw/zinc/12/84/82/1073128482.db2.gz NSTJWRAAYGQGLQ-TZMCWYRMSA-N 1 2 396.444 -0.339 20 0 GBADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000376994881 1073128474 /nfs/dbraw/zinc/12/84/74/1073128474.db2.gz NSTJWRAAYGQGLQ-TZMCWYRMSA-N 1 2 396.444 -0.339 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC2(C1)CCCOC2 ZINC000377019562 1073129372 /nfs/dbraw/zinc/12/93/72/1073129372.db2.gz LPJINWDXPCVHLB-UHFFFAOYSA-N 1 2 377.445 -0.207 20 0 GBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000377022965 1073129999 /nfs/dbraw/zinc/12/99/99/1073129999.db2.gz JWCCBXBVFZSUFZ-INIZCTEOSA-N 1 2 380.489 -0.175 20 0 GBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000377022965 1073129995 /nfs/dbraw/zinc/12/99/95/1073129995.db2.gz JWCCBXBVFZSUFZ-INIZCTEOSA-N 1 2 380.489 -0.175 20 0 GBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000377022966 1073129967 /nfs/dbraw/zinc/12/99/67/1073129967.db2.gz JWCCBXBVFZSUFZ-MRXNPFEDSA-N 1 2 380.489 -0.175 20 0 GBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000377022966 1073129961 /nfs/dbraw/zinc/12/99/61/1073129961.db2.gz JWCCBXBVFZSUFZ-MRXNPFEDSA-N 1 2 380.489 -0.175 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000377029781 1073130308 /nfs/dbraw/zinc/13/03/08/1073130308.db2.gz KAGHYRKMUNICLT-HZPDHXFCSA-N 1 2 379.461 -0.036 20 0 GBADLO CC(C)NC(=O)OC1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000377084639 1073133262 /nfs/dbraw/zinc/13/32/62/1073133262.db2.gz XNPFOYSGQKWBBC-AWEZNQCLSA-N 1 2 382.461 -0.488 20 0 GBADLO CC(C)NC(=O)OC1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000377084640 1073133244 /nfs/dbraw/zinc/13/32/44/1073133244.db2.gz XNPFOYSGQKWBBC-CQSZACIVSA-N 1 2 382.461 -0.488 20 0 GBADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 ZINC000377101035 1073136156 /nfs/dbraw/zinc/13/61/56/1073136156.db2.gz RXKRPYKSUSPMNU-OLZOCXBDSA-N 1 2 395.460 -0.262 20 0 GBADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 ZINC000377101036 1073135977 /nfs/dbraw/zinc/13/59/77/1073135977.db2.gz RXKRPYKSUSPMNU-STQMWFEESA-N 1 2 395.460 -0.262 20 0 GBADLO COC(=O)c1cn(CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)nn1 ZINC000377107720 1073135154 /nfs/dbraw/zinc/13/51/54/1073135154.db2.gz WASLBCIGJSDGDE-INIZCTEOSA-N 1 2 398.489 -0.428 20 0 GBADLO COC(=O)c1cn(CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)nn1 ZINC000377107723 1073134948 /nfs/dbraw/zinc/13/49/48/1073134948.db2.gz WASLBCIGJSDGDE-MRXNPFEDSA-N 1 2 398.489 -0.428 20 0 GBADLO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377119827 1073136765 /nfs/dbraw/zinc/13/67/65/1073136765.db2.gz LIHCWDCMBMGCAO-ARFHVFGLSA-N 1 2 378.473 -0.563 20 0 GBADLO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377119832 1073137082 /nfs/dbraw/zinc/13/70/82/1073137082.db2.gz LIHCWDCMBMGCAO-BZUAXINKSA-N 1 2 378.473 -0.563 20 0 GBADLO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377119833 1073136827 /nfs/dbraw/zinc/13/68/27/1073136827.db2.gz LIHCWDCMBMGCAO-OAGGEKHMSA-N 1 2 378.473 -0.563 20 0 GBADLO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377119835 1073136667 /nfs/dbraw/zinc/13/66/67/1073136667.db2.gz LIHCWDCMBMGCAO-XHSDSOJGSA-N 1 2 378.473 -0.563 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000377120910 530323449 /nfs/dbraw/zinc/32/34/49/530323449.db2.gz RDGBBSQOSWXUDA-AWEZNQCLSA-N 1 2 376.504 -0.361 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000377120911 530323292 /nfs/dbraw/zinc/32/32/92/530323292.db2.gz RDGBBSQOSWXUDA-CQSZACIVSA-N 1 2 376.504 -0.361 20 0 GBADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 ZINC000377123846 1073136808 /nfs/dbraw/zinc/13/68/08/1073136808.db2.gz VNPBNYKSAVARHJ-CYBMUJFWSA-N 1 2 395.460 -0.308 20 0 GBADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 ZINC000377123847 1073136655 /nfs/dbraw/zinc/13/66/55/1073136655.db2.gz VNPBNYKSAVARHJ-ZDUSSCGKSA-N 1 2 395.460 -0.308 20 0 GBADLO CC(C)Nc1nc(N2CCC(C(=O)N3CCOCC3)CC2)nc(NCCO)[nH+]1 ZINC000377138817 1073137747 /nfs/dbraw/zinc/13/77/47/1073137747.db2.gz GRXPCGZYNFRCMO-UHFFFAOYSA-N 1 2 393.492 -0.985 20 0 GBADLO O=C(NC[C@H](CO)c1cccnc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377153179 1073138646 /nfs/dbraw/zinc/13/86/46/1073138646.db2.gz VJPTXEKTXXBSGR-DLBZAZTESA-N 1 2 376.457 -0.546 20 0 GBADLO O=C(NC[C@H](CO)c1cccnc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377153180 1073138714 /nfs/dbraw/zinc/13/87/14/1073138714.db2.gz VJPTXEKTXXBSGR-IAGOWNOFSA-N 1 2 376.457 -0.546 20 0 GBADLO O=C(NC[C@@H](CO)c1cccnc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377153181 1073138852 /nfs/dbraw/zinc/13/88/52/1073138852.db2.gz VJPTXEKTXXBSGR-IRXDYDNUSA-N 1 2 376.457 -0.546 20 0 GBADLO O=C(NC[C@@H](CO)c1cccnc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377153182 1073138586 /nfs/dbraw/zinc/13/85/86/1073138586.db2.gz VJPTXEKTXXBSGR-SJORKVTESA-N 1 2 376.457 -0.546 20 0 GBADLO CNS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000377155371 1073138800 /nfs/dbraw/zinc/13/88/00/1073138800.db2.gz QODJEGDYPUFBNM-INIZCTEOSA-N 1 2 388.534 -0.124 20 0 GBADLO CNS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000377155372 1073138819 /nfs/dbraw/zinc/13/88/19/1073138819.db2.gz QODJEGDYPUFBNM-MRXNPFEDSA-N 1 2 388.534 -0.124 20 0 GBADLO Cn1cnn(CC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1=O ZINC000377173027 1073139483 /nfs/dbraw/zinc/13/94/83/1073139483.db2.gz ZSIRCCYDRQHMOK-AWEZNQCLSA-N 1 2 394.476 -0.265 20 0 GBADLO Cn1cnn(CC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1=O ZINC000377173028 1073139812 /nfs/dbraw/zinc/13/98/12/1073139812.db2.gz ZSIRCCYDRQHMOK-CQSZACIVSA-N 1 2 394.476 -0.265 20 0 GBADLO O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377174798 1073139634 /nfs/dbraw/zinc/13/96/34/1073139634.db2.gz BBQJBJTWDIHRGC-GFCCVEGCSA-N 1 2 389.378 -0.049 20 0 GBADLO O=C(Cn1ccc(C(F)(F)F)n1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377174799 1073139951 /nfs/dbraw/zinc/13/99/51/1073139951.db2.gz BBQJBJTWDIHRGC-LBPRGKRZSA-N 1 2 389.378 -0.049 20 0 GBADLO CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C2=O ZINC000377179066 1073139610 /nfs/dbraw/zinc/13/96/10/1073139610.db2.gz OWMBXBPSOLDTGS-HVEKOLDVSA-N 1 2 396.488 -0.361 20 0 GBADLO CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C2=O ZINC000377179067 1073139849 /nfs/dbraw/zinc/13/98/49/1073139849.db2.gz OWMBXBPSOLDTGS-XAUUPUKJSA-N 1 2 396.488 -0.361 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000377206725 530324041 /nfs/dbraw/zinc/32/40/41/530324041.db2.gz JUHLWWWCYZMXPO-CHWSQXEVSA-N 1 2 379.479 -0.964 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000377206725 530324039 /nfs/dbraw/zinc/32/40/39/530324039.db2.gz JUHLWWWCYZMXPO-CHWSQXEVSA-N 1 2 379.479 -0.964 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000377206729 530324048 /nfs/dbraw/zinc/32/40/48/530324048.db2.gz JUHLWWWCYZMXPO-OLZOCXBDSA-N 1 2 379.479 -0.964 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000377206729 530324047 /nfs/dbraw/zinc/32/40/47/530324047.db2.gz JUHLWWWCYZMXPO-OLZOCXBDSA-N 1 2 379.479 -0.964 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000377206731 530323801 /nfs/dbraw/zinc/32/38/01/530323801.db2.gz JUHLWWWCYZMXPO-QWHCGFSZSA-N 1 2 379.479 -0.964 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000377206731 530323800 /nfs/dbraw/zinc/32/38/00/530323800.db2.gz JUHLWWWCYZMXPO-QWHCGFSZSA-N 1 2 379.479 -0.964 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000377206732 530323953 /nfs/dbraw/zinc/32/39/53/530323953.db2.gz JUHLWWWCYZMXPO-STQMWFEESA-N 1 2 379.479 -0.964 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000377206732 530323951 /nfs/dbraw/zinc/32/39/51/530323951.db2.gz JUHLWWWCYZMXPO-STQMWFEESA-N 1 2 379.479 -0.964 20 0 GBADLO CCc1n[nH]c(C2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)n1 ZINC000377209330 1073142508 /nfs/dbraw/zinc/14/25/08/1073142508.db2.gz VVDDLLPVPKKUOK-UHFFFAOYSA-N 1 2 386.522 -0.056 20 0 GBADLO CCc1nnc(C2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)[nH]1 ZINC000377209330 1073142504 /nfs/dbraw/zinc/14/25/04/1073142504.db2.gz VVDDLLPVPKKUOK-UHFFFAOYSA-N 1 2 386.522 -0.056 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000377216007 1073142954 /nfs/dbraw/zinc/14/29/54/1073142954.db2.gz FRANCKIEPPMARK-JKSUJKDBSA-N 1 2 383.489 -0.038 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000377216007 1073142949 /nfs/dbraw/zinc/14/29/49/1073142949.db2.gz FRANCKIEPPMARK-JKSUJKDBSA-N 1 2 383.489 -0.038 20 0 GBADLO COCCn1c(N)c(C(=O)CN2CCC[C@@H](c3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000377261533 1073146363 /nfs/dbraw/zinc/14/63/63/1073146363.db2.gz JKSSQIDQNOTUAF-GFCCVEGCSA-N 1 2 390.444 -0.027 20 0 GBADLO COCCn1c(N)c(C(=O)CN2CCC[C@H](c3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000377261534 1073146424 /nfs/dbraw/zinc/14/64/24/1073146424.db2.gz JKSSQIDQNOTUAF-LBPRGKRZSA-N 1 2 390.444 -0.027 20 0 GBADLO COCCNc1nc(N2CC(O)(C3CC3)C2)[nH+]c(N2CC(O)(C3CC3)C2)n1 ZINC000377265095 1073146618 /nfs/dbraw/zinc/14/66/18/1073146618.db2.gz CZFWVDRXFBGJFX-UHFFFAOYSA-N 1 2 376.461 -0.726 20 0 GBADLO COCCNc1nc(N2CC(O)(C3CC3)C2)nc(N2CC(O)(C3CC3)C2)[nH+]1 ZINC000377265095 1073146611 /nfs/dbraw/zinc/14/66/11/1073146611.db2.gz CZFWVDRXFBGJFX-UHFFFAOYSA-N 1 2 376.461 -0.726 20 0 GBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000377274689 1073147493 /nfs/dbraw/zinc/14/74/93/1073147493.db2.gz BHUOQXAGTRMPRZ-KSZLIROESA-N 1 2 395.500 -0.038 20 0 GBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000377274689 1073147489 /nfs/dbraw/zinc/14/74/89/1073147489.db2.gz BHUOQXAGTRMPRZ-KSZLIROESA-N 1 2 395.500 -0.038 20 0 GBADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000377274690 1073147184 /nfs/dbraw/zinc/14/71/84/1073147184.db2.gz BHUOQXAGTRMPRZ-KURKYZTESA-N 1 2 395.500 -0.038 20 0 GBADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000377274690 1073147178 /nfs/dbraw/zinc/14/71/78/1073147178.db2.gz BHUOQXAGTRMPRZ-KURKYZTESA-N 1 2 395.500 -0.038 20 0 GBADLO COC(=O)c1cc(CNC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)oc1C ZINC000377298643 1073149061 /nfs/dbraw/zinc/14/90/61/1073149061.db2.gz OMSLBRXDCUKKPC-CYBMUJFWSA-N 1 2 382.417 -0.298 20 0 GBADLO COC(=O)c1cc(CNC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)oc1C ZINC000377298643 1073149055 /nfs/dbraw/zinc/14/90/55/1073149055.db2.gz OMSLBRXDCUKKPC-CYBMUJFWSA-N 1 2 382.417 -0.298 20 0 GBADLO COC(=O)c1cc(CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)oc1C ZINC000377298860 1073148873 /nfs/dbraw/zinc/14/88/73/1073148873.db2.gz OMSLBRXDCUKKPC-ZDUSSCGKSA-N 1 2 382.417 -0.298 20 0 GBADLO COC(=O)c1cc(CNC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)oc1C ZINC000377298860 1073148868 /nfs/dbraw/zinc/14/88/68/1073148868.db2.gz OMSLBRXDCUKKPC-ZDUSSCGKSA-N 1 2 382.417 -0.298 20 0 GBADLO CN(C)S(=O)(=O)N1CCCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000377330436 1073151063 /nfs/dbraw/zinc/15/10/63/1073151063.db2.gz MOMBKYKFFNYSDE-UHFFFAOYSA-N 1 2 397.505 -0.927 20 0 GBADLO CN(C)S(=O)(=O)N1CCCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000377330436 1073151061 /nfs/dbraw/zinc/15/10/61/1073151061.db2.gz MOMBKYKFFNYSDE-UHFFFAOYSA-N 1 2 397.505 -0.927 20 0 GBADLO C[C@H]1CN(S(=O)(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000377377871 1073153543 /nfs/dbraw/zinc/15/35/43/1073153543.db2.gz OUXIBYZTGISNTC-HOTGVXAUSA-N 1 2 388.534 -0.030 20 0 GBADLO C[C@H]1CN(S(=O)(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000377377871 1073153542 /nfs/dbraw/zinc/15/35/42/1073153542.db2.gz OUXIBYZTGISNTC-HOTGVXAUSA-N 1 2 388.534 -0.030 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C[C@@H](C)O1 ZINC000377377873 1073153443 /nfs/dbraw/zinc/15/34/43/1073153443.db2.gz OUXIBYZTGISNTC-HZPDHXFCSA-N 1 2 388.534 -0.030 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C[C@@H](C)O1 ZINC000377377873 1073153441 /nfs/dbraw/zinc/15/34/41/1073153441.db2.gz OUXIBYZTGISNTC-HZPDHXFCSA-N 1 2 388.534 -0.030 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000377377875 1073153493 /nfs/dbraw/zinc/15/34/93/1073153493.db2.gz OUXIBYZTGISNTC-IYBDPMFKSA-N 1 2 388.534 -0.030 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000377377875 1073153492 /nfs/dbraw/zinc/15/34/92/1073153492.db2.gz OUXIBYZTGISNTC-IYBDPMFKSA-N 1 2 388.534 -0.030 20 0 GBADLO Cn1cnc2c1c(=O)n(CC(=O)NC1CCN(c3cccc[nH+]3)CC1)c(=O)n2C ZINC000377426087 1073162410 /nfs/dbraw/zinc/16/24/10/1073162410.db2.gz ONYCSVOKBSAFNU-UHFFFAOYSA-N 1 2 397.439 -0.386 20 0 GBADLO O=C(CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCOCC1 ZINC000377427110 1073158494 /nfs/dbraw/zinc/15/84/94/1073158494.db2.gz UHNIYJHOQFBQBY-KRWDZBQOSA-N 1 2 386.518 -0.258 20 0 GBADLO O=C(CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCOCC1 ZINC000377427111 1073158430 /nfs/dbraw/zinc/15/84/30/1073158430.db2.gz UHNIYJHOQFBQBY-QGZVFWFLSA-N 1 2 386.518 -0.258 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000377432305 1073162942 /nfs/dbraw/zinc/16/29/42/1073162942.db2.gz NJBQJFFTOJYFNF-UHFFFAOYSA-N 1 2 388.516 -0.174 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000377432305 1073162937 /nfs/dbraw/zinc/16/29/37/1073162937.db2.gz NJBQJFFTOJYFNF-UHFFFAOYSA-N 1 2 388.516 -0.174 20 0 GBADLO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000377434578 530324478 /nfs/dbraw/zinc/32/44/78/530324478.db2.gz XIIDGMGDXJVGPX-KBPBESRZSA-N 1 2 375.491 -0.941 20 0 GBADLO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000377434578 530324475 /nfs/dbraw/zinc/32/44/75/530324475.db2.gz XIIDGMGDXJVGPX-KBPBESRZSA-N 1 2 375.491 -0.941 20 0 GBADLO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000377434580 530324135 /nfs/dbraw/zinc/32/41/35/530324135.db2.gz XIIDGMGDXJVGPX-KGLIPLIRSA-N 1 2 375.491 -0.941 20 0 GBADLO COC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000377434580 530324132 /nfs/dbraw/zinc/32/41/32/530324132.db2.gz XIIDGMGDXJVGPX-KGLIPLIRSA-N 1 2 375.491 -0.941 20 0 GBADLO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000377434582 530324391 /nfs/dbraw/zinc/32/43/91/530324391.db2.gz XIIDGMGDXJVGPX-UONOGXRCSA-N 1 2 375.491 -0.941 20 0 GBADLO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000377434582 530324390 /nfs/dbraw/zinc/32/43/90/530324390.db2.gz XIIDGMGDXJVGPX-UONOGXRCSA-N 1 2 375.491 -0.941 20 0 GBADLO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000377434583 530324372 /nfs/dbraw/zinc/32/43/72/530324372.db2.gz XIIDGMGDXJVGPX-ZIAGYGMSSA-N 1 2 375.491 -0.941 20 0 GBADLO COC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000377434583 530324369 /nfs/dbraw/zinc/32/43/69/530324369.db2.gz XIIDGMGDXJVGPX-ZIAGYGMSSA-N 1 2 375.491 -0.941 20 0 GBADLO CC(=O)N1CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000377434720 530324278 /nfs/dbraw/zinc/32/42/78/530324278.db2.gz ZOMGXNWXFFIMJA-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO CC(=O)N1CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000377434720 530324276 /nfs/dbraw/zinc/32/42/76/530324276.db2.gz ZOMGXNWXFFIMJA-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000377443514 1073175129 /nfs/dbraw/zinc/17/51/29/1073175129.db2.gz PXXHNMHKWWQXQH-UHFFFAOYSA-N 1 2 386.456 -0.148 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000377443514 1073175125 /nfs/dbraw/zinc/17/51/25/1073175125.db2.gz PXXHNMHKWWQXQH-UHFFFAOYSA-N 1 2 386.456 -0.148 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000377454472 1073181140 /nfs/dbraw/zinc/18/11/40/1073181140.db2.gz NDEOUUUUIVIFJT-UHFFFAOYSA-N 1 2 379.461 -0.479 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000377454472 1073181137 /nfs/dbraw/zinc/18/11/37/1073181137.db2.gz NDEOUUUUIVIFJT-UHFFFAOYSA-N 1 2 379.461 -0.479 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1 ZINC000377454579 1073181060 /nfs/dbraw/zinc/18/10/60/1073181060.db2.gz QVOUOCFBJZTQRO-UHFFFAOYSA-N 1 2 381.477 -0.233 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1 ZINC000377454579 1073181057 /nfs/dbraw/zinc/18/10/57/1073181057.db2.gz QVOUOCFBJZTQRO-UHFFFAOYSA-N 1 2 381.477 -0.233 20 0 GBADLO O=C(NC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)C1CC1 ZINC000377463530 1073182545 /nfs/dbraw/zinc/18/25/45/1073182545.db2.gz FJIYWDQMFPUOOZ-INIZCTEOSA-N 1 2 392.500 -0.316 20 0 GBADLO O=C(NC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)C1CC1 ZINC000377463532 1073182775 /nfs/dbraw/zinc/18/27/75/1073182775.db2.gz FJIYWDQMFPUOOZ-MRXNPFEDSA-N 1 2 392.500 -0.316 20 0 GBADLO CC(C)NS(=O)(=O)CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000377466235 530324416 /nfs/dbraw/zinc/32/44/16/530324416.db2.gz WZFMXSXRNDIZBF-HNNXBMFYSA-N 1 2 394.563 -0.179 20 0 GBADLO CC(C)NS(=O)(=O)CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000377466236 530324266 /nfs/dbraw/zinc/32/42/66/530324266.db2.gz WZFMXSXRNDIZBF-OAHLLOKOSA-N 1 2 394.563 -0.179 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000377474191 1073184178 /nfs/dbraw/zinc/18/41/78/1073184178.db2.gz INLGZOQYKXOUHJ-HNNXBMFYSA-N 1 2 388.534 -0.139 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000377474191 1073184171 /nfs/dbraw/zinc/18/41/71/1073184171.db2.gz INLGZOQYKXOUHJ-HNNXBMFYSA-N 1 2 388.534 -0.139 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000377474193 1073184015 /nfs/dbraw/zinc/18/40/15/1073184015.db2.gz INLGZOQYKXOUHJ-OAHLLOKOSA-N 1 2 388.534 -0.139 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000377474193 1073184014 /nfs/dbraw/zinc/18/40/14/1073184014.db2.gz INLGZOQYKXOUHJ-OAHLLOKOSA-N 1 2 388.534 -0.139 20 0 GBADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CC(=O)N3CCNC(=O)C3)CC2)C1 ZINC000377491149 1073189657 /nfs/dbraw/zinc/18/96/57/1073189657.db2.gz HHIONEQQXGEZLH-HNNXBMFYSA-N 1 2 395.504 -0.428 20 0 GBADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)N3CCNC(=O)C3)CC2)C1 ZINC000377491151 1073189825 /nfs/dbraw/zinc/18/98/25/1073189825.db2.gz HHIONEQQXGEZLH-OAHLLOKOSA-N 1 2 395.504 -0.428 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000377519537 1073195706 /nfs/dbraw/zinc/19/57/06/1073195706.db2.gz OGYKKKRSQCBECF-AWEZNQCLSA-N 1 2 393.488 -0.090 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000377519537 1073195702 /nfs/dbraw/zinc/19/57/02/1073195702.db2.gz OGYKKKRSQCBECF-AWEZNQCLSA-N 1 2 393.488 -0.090 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000377519538 1073195844 /nfs/dbraw/zinc/19/58/44/1073195844.db2.gz OGYKKKRSQCBECF-CQSZACIVSA-N 1 2 393.488 -0.090 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000377519538 1073195839 /nfs/dbraw/zinc/19/58/39/1073195839.db2.gz OGYKKKRSQCBECF-CQSZACIVSA-N 1 2 393.488 -0.090 20 0 GBADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(Cc3nc(N)nc(N)n3)CC2)C1 ZINC000377526834 1073196405 /nfs/dbraw/zinc/19/64/05/1073196405.db2.gz HBQJSHLWLBJZPR-GFCCVEGCSA-N 1 2 378.481 -0.176 20 0 GBADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(Cc3nc(N)nc(N)n3)CC2)C1 ZINC000377526837 1073196249 /nfs/dbraw/zinc/19/62/49/1073196249.db2.gz HBQJSHLWLBJZPR-LBPRGKRZSA-N 1 2 378.481 -0.176 20 0 GBADLO NS(=O)(=O)C1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000377532640 1073196973 /nfs/dbraw/zinc/19/69/73/1073196973.db2.gz ZIPAXGQYYIKAGF-UHFFFAOYSA-N 1 2 398.441 -0.141 20 0 GBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)c(=O)[nH]c1=O ZINC000377534606 1073197243 /nfs/dbraw/zinc/19/72/43/1073197243.db2.gz VLQHHTDOQNOCIU-UHFFFAOYSA-N 1 2 376.417 -0.037 20 0 GBADLO CCC[C@]1(CO)CC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000377540904 1073197194 /nfs/dbraw/zinc/19/71/94/1073197194.db2.gz BKYLBQRHDWMVQA-AEFFLSMTSA-N 1 2 387.546 -0.198 20 0 GBADLO CCC[C@]1(CO)CC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000377540904 1073197189 /nfs/dbraw/zinc/19/71/89/1073197189.db2.gz BKYLBQRHDWMVQA-AEFFLSMTSA-N 1 2 387.546 -0.198 20 0 GBADLO CCC[C@@]1(CO)CC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000377540905 1073197234 /nfs/dbraw/zinc/19/72/34/1073197234.db2.gz BKYLBQRHDWMVQA-FUHWJXTLSA-N 1 2 387.546 -0.198 20 0 GBADLO CCC[C@@]1(CO)CC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000377540905 1073197233 /nfs/dbraw/zinc/19/72/33/1073197233.db2.gz BKYLBQRHDWMVQA-FUHWJXTLSA-N 1 2 387.546 -0.198 20 0 GBADLO CCC[C@@]1(CO)CC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000377540906 1073197006 /nfs/dbraw/zinc/19/70/06/1073197006.db2.gz BKYLBQRHDWMVQA-SJLPKXTDSA-N 1 2 387.546 -0.198 20 0 GBADLO CCC[C@@]1(CO)CC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000377540906 1073197000 /nfs/dbraw/zinc/19/70/00/1073197000.db2.gz BKYLBQRHDWMVQA-SJLPKXTDSA-N 1 2 387.546 -0.198 20 0 GBADLO CCC[C@]1(CO)CC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000377540907 1073197264 /nfs/dbraw/zinc/19/72/64/1073197264.db2.gz BKYLBQRHDWMVQA-WMZOPIPTSA-N 1 2 387.546 -0.198 20 0 GBADLO CCC[C@]1(CO)CC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000377540907 1073197261 /nfs/dbraw/zinc/19/72/61/1073197261.db2.gz BKYLBQRHDWMVQA-WMZOPIPTSA-N 1 2 387.546 -0.198 20 0 GBADLO COC(=O)CNC(=O)CN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377544861 1073197145 /nfs/dbraw/zinc/19/71/45/1073197145.db2.gz ROSMZESAHOTBPG-AWEZNQCLSA-N 1 2 384.477 -0.097 20 0 GBADLO COC(=O)CNC(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377544863 1073197136 /nfs/dbraw/zinc/19/71/36/1073197136.db2.gz ROSMZESAHOTBPG-CQSZACIVSA-N 1 2 384.477 -0.097 20 0 GBADLO CNS(=O)(=O)C1CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000377571334 530324394 /nfs/dbraw/zinc/32/43/94/530324394.db2.gz JZULDIDUSPFPQU-UHFFFAOYSA-N 1 2 384.520 -0.244 20 0 GBADLO CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377642184 530324782 /nfs/dbraw/zinc/32/47/82/530324782.db2.gz ANMTUULBIHAKRC-KBPBESRZSA-N 1 2 375.491 -0.894 20 0 GBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377642185 530324718 /nfs/dbraw/zinc/32/47/18/530324718.db2.gz ANMTUULBIHAKRC-KGLIPLIRSA-N 1 2 375.491 -0.894 20 0 GBADLO CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377642186 530324845 /nfs/dbraw/zinc/32/48/45/530324845.db2.gz ANMTUULBIHAKRC-UONOGXRCSA-N 1 2 375.491 -0.894 20 0 GBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377642187 530324966 /nfs/dbraw/zinc/32/49/66/530324966.db2.gz ANMTUULBIHAKRC-ZIAGYGMSSA-N 1 2 375.491 -0.894 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@@](CO)(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000377651218 530324809 /nfs/dbraw/zinc/32/48/09/530324809.db2.gz YPKPGYYNKJDHIB-DOTOQJQBSA-N 1 2 376.519 -0.011 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@@](CO)(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000377651218 530324807 /nfs/dbraw/zinc/32/48/07/530324807.db2.gz YPKPGYYNKJDHIB-DOTOQJQBSA-N 1 2 376.519 -0.011 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@@](CO)(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000377651221 530324654 /nfs/dbraw/zinc/32/46/54/530324654.db2.gz YPKPGYYNKJDHIB-NVXWUHKLSA-N 1 2 376.519 -0.011 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@@](CO)(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000377651221 530324653 /nfs/dbraw/zinc/32/46/53/530324653.db2.gz YPKPGYYNKJDHIB-NVXWUHKLSA-N 1 2 376.519 -0.011 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@](CO)(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000377651223 530324678 /nfs/dbraw/zinc/32/46/78/530324678.db2.gz YPKPGYYNKJDHIB-RDJZCZTQSA-N 1 2 376.519 -0.011 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@](CO)(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000377651223 530324677 /nfs/dbraw/zinc/32/46/77/530324677.db2.gz YPKPGYYNKJDHIB-RDJZCZTQSA-N 1 2 376.519 -0.011 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@](CO)(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000377651225 530324902 /nfs/dbraw/zinc/32/49/02/530324902.db2.gz YPKPGYYNKJDHIB-WBVHZDCISA-N 1 2 376.519 -0.011 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@](CO)(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000377651225 530324901 /nfs/dbraw/zinc/32/49/01/530324901.db2.gz YPKPGYYNKJDHIB-WBVHZDCISA-N 1 2 376.519 -0.011 20 0 GBADLO O=C(Cn1cccnc1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000377661471 1073204534 /nfs/dbraw/zinc/20/45/34/1073204534.db2.gz GJGKWLKTKYPRTL-HNNXBMFYSA-N 1 2 399.455 -0.345 20 0 GBADLO O=C(Cn1cccnc1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000377661471 1073204531 /nfs/dbraw/zinc/20/45/31/1073204531.db2.gz GJGKWLKTKYPRTL-HNNXBMFYSA-N 1 2 399.455 -0.345 20 0 GBADLO O=C(Cn1cccnc1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000377661472 1073204585 /nfs/dbraw/zinc/20/45/85/1073204585.db2.gz GJGKWLKTKYPRTL-OAHLLOKOSA-N 1 2 399.455 -0.345 20 0 GBADLO O=C(Cn1cccnc1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000377661472 1073204582 /nfs/dbraw/zinc/20/45/82/1073204582.db2.gz GJGKWLKTKYPRTL-OAHLLOKOSA-N 1 2 399.455 -0.345 20 0 GBADLO CC(C)(C)C(=O)NCCCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377714910 1073208295 /nfs/dbraw/zinc/20/82/95/1073208295.db2.gz AMRZPFXEVQBWOX-HNNXBMFYSA-N 1 2 382.505 -0.022 20 0 GBADLO CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377714911 1073208727 /nfs/dbraw/zinc/20/87/27/1073208727.db2.gz AMRZPFXEVQBWOX-OAHLLOKOSA-N 1 2 382.505 -0.022 20 0 GBADLO CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCC1=O ZINC000377714914 1073208405 /nfs/dbraw/zinc/20/84/05/1073208405.db2.gz ANZPBCUDSWZPHB-CRAIPNDOSA-N 1 2 380.489 -0.317 20 0 GBADLO CC(C)[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCC1=O ZINC000377714915 1073208823 /nfs/dbraw/zinc/20/88/23/1073208823.db2.gz ANZPBCUDSWZPHB-MAUKXSAKSA-N 1 2 380.489 -0.317 20 0 GBADLO CC(C)[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCC1=O ZINC000377714916 1073208839 /nfs/dbraw/zinc/20/88/39/1073208839.db2.gz ANZPBCUDSWZPHB-QAPCUYQASA-N 1 2 380.489 -0.317 20 0 GBADLO CC(C)[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCC1=O ZINC000377714917 1073208793 /nfs/dbraw/zinc/20/87/93/1073208793.db2.gz ANZPBCUDSWZPHB-YJBOKZPZSA-N 1 2 380.489 -0.317 20 0 GBADLO CC(=O)N[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000377720615 1073208653 /nfs/dbraw/zinc/20/86/53/1073208653.db2.gz NVPQOIZROXIJDA-AEFFLSMTSA-N 1 2 380.489 -0.269 20 0 GBADLO CC(=O)N[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000377720618 1073208978 /nfs/dbraw/zinc/20/89/78/1073208978.db2.gz NVPQOIZROXIJDA-FUHWJXTLSA-N 1 2 380.489 -0.269 20 0 GBADLO CC(=O)N[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000377720620 1073208766 /nfs/dbraw/zinc/20/87/66/1073208766.db2.gz NVPQOIZROXIJDA-SJLPKXTDSA-N 1 2 380.489 -0.269 20 0 GBADLO CC(=O)N[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000377720623 1073208884 /nfs/dbraw/zinc/20/88/84/1073208884.db2.gz NVPQOIZROXIJDA-WMZOPIPTSA-N 1 2 380.489 -0.269 20 0 GBADLO Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC000377729561 1073210378 /nfs/dbraw/zinc/21/03/78/1073210378.db2.gz QBZKMSYRFOCBHM-CVEARBPZSA-N 1 2 390.488 -0.704 20 0 GBADLO Cn1cc(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC000377729562 1073210217 /nfs/dbraw/zinc/21/02/17/1073210217.db2.gz QBZKMSYRFOCBHM-HOTGVXAUSA-N 1 2 390.488 -0.704 20 0 GBADLO Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC000377729563 1073210384 /nfs/dbraw/zinc/21/03/84/1073210384.db2.gz QBZKMSYRFOCBHM-HZPDHXFCSA-N 1 2 390.488 -0.704 20 0 GBADLO Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC000377729564 1073210341 /nfs/dbraw/zinc/21/03/41/1073210341.db2.gz QBZKMSYRFOCBHM-JKSUJKDBSA-N 1 2 390.488 -0.704 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000377731779 1073210964 /nfs/dbraw/zinc/21/09/64/1073210964.db2.gz HKRSMBAUEWJCFD-UHFFFAOYSA-N 1 2 398.485 -0.154 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000377731779 1073210953 /nfs/dbraw/zinc/21/09/53/1073210953.db2.gz HKRSMBAUEWJCFD-UHFFFAOYSA-N 1 2 398.485 -0.154 20 0 GBADLO CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377744203 1073212819 /nfs/dbraw/zinc/21/28/19/1073212819.db2.gz MLDYBFACPURWHK-CABCVRRESA-N 1 2 398.529 -0.263 20 0 GBADLO CCCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377744205 1073212921 /nfs/dbraw/zinc/21/29/21/1073212921.db2.gz MLDYBFACPURWHK-GJZGRUSLSA-N 1 2 398.529 -0.263 20 0 GBADLO CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377744206 1073212851 /nfs/dbraw/zinc/21/28/51/1073212851.db2.gz MLDYBFACPURWHK-HUUCEWRRSA-N 1 2 398.529 -0.263 20 0 GBADLO CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377744208 1073212770 /nfs/dbraw/zinc/21/27/70/1073212770.db2.gz MLDYBFACPURWHK-LSDHHAIUSA-N 1 2 398.529 -0.263 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc2sccn2c1=O ZINC000377750603 1073213903 /nfs/dbraw/zinc/21/39/03/1073213903.db2.gz YXRKRKDUQNFFEA-GFCCVEGCSA-N 1 2 391.453 -0.581 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc2sccn2c1=O ZINC000377750610 1073214010 /nfs/dbraw/zinc/21/40/10/1073214010.db2.gz YXRKRKDUQNFFEA-LBPRGKRZSA-N 1 2 391.453 -0.581 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000377759620 1073214932 /nfs/dbraw/zinc/21/49/32/1073214932.db2.gz HQKXTJKKFQFGEN-CVEARBPZSA-N 1 2 388.534 -0.030 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000377759620 1073214927 /nfs/dbraw/zinc/21/49/27/1073214927.db2.gz HQKXTJKKFQFGEN-CVEARBPZSA-N 1 2 388.534 -0.030 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000377759621 1073214709 /nfs/dbraw/zinc/21/47/09/1073214709.db2.gz HQKXTJKKFQFGEN-HOTGVXAUSA-N 1 2 388.534 -0.030 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000377759621 1073214704 /nfs/dbraw/zinc/21/47/04/1073214704.db2.gz HQKXTJKKFQFGEN-HOTGVXAUSA-N 1 2 388.534 -0.030 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000377759622 1073215019 /nfs/dbraw/zinc/21/50/19/1073215019.db2.gz HQKXTJKKFQFGEN-HZPDHXFCSA-N 1 2 388.534 -0.030 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000377759622 1073215013 /nfs/dbraw/zinc/21/50/13/1073215013.db2.gz HQKXTJKKFQFGEN-HZPDHXFCSA-N 1 2 388.534 -0.030 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000377759623 1073214852 /nfs/dbraw/zinc/21/48/52/1073214852.db2.gz HQKXTJKKFQFGEN-JKSUJKDBSA-N 1 2 388.534 -0.030 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000377759623 1073214845 /nfs/dbraw/zinc/21/48/45/1073214845.db2.gz HQKXTJKKFQFGEN-JKSUJKDBSA-N 1 2 388.534 -0.030 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000377760930 530325396 /nfs/dbraw/zinc/32/53/96/530325396.db2.gz OGNLYAWHWGGABG-UHFFFAOYSA-N 1 2 390.531 -0.221 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000377760930 530325393 /nfs/dbraw/zinc/32/53/93/530325393.db2.gz OGNLYAWHWGGABG-UHFFFAOYSA-N 1 2 390.531 -0.221 20 0 GBADLO CCOC(=O)CCCNC(=O)C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377762969 530325383 /nfs/dbraw/zinc/32/53/83/530325383.db2.gz OPWHKWMQSGQFJN-UHFFFAOYSA-N 1 2 378.495 -0.740 20 0 GBADLO CCOC(=O)CCCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377762969 530325381 /nfs/dbraw/zinc/32/53/81/530325381.db2.gz OPWHKWMQSGQFJN-UHFFFAOYSA-N 1 2 378.495 -0.740 20 0 GBADLO O=C(Nc1cnn(-c2ncccn2)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377772154 1073215749 /nfs/dbraw/zinc/21/57/49/1073215749.db2.gz BHADHBJWDUFBNH-AWEZNQCLSA-N 1 2 385.428 -0.219 20 0 GBADLO O=C(Nc1cnn(-c2ncccn2)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377772157 1073215650 /nfs/dbraw/zinc/21/56/50/1073215650.db2.gz BHADHBJWDUFBNH-CQSZACIVSA-N 1 2 385.428 -0.219 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000377776290 1073215835 /nfs/dbraw/zinc/21/58/35/1073215835.db2.gz LXUGTDCHAGDDSW-UHFFFAOYSA-N 1 2 382.486 -0.446 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000377776290 1073215832 /nfs/dbraw/zinc/21/58/32/1073215832.db2.gz LXUGTDCHAGDDSW-UHFFFAOYSA-N 1 2 382.486 -0.446 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000377782326 1073216309 /nfs/dbraw/zinc/21/63/09/1073216309.db2.gz SOHFDZMVEICHEU-UHFFFAOYSA-N 1 2 396.513 -0.138 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000377782326 1073216307 /nfs/dbraw/zinc/21/63/07/1073216307.db2.gz SOHFDZMVEICHEU-UHFFFAOYSA-N 1 2 396.513 -0.138 20 0 GBADLO CC(C)CCOCCNC(=O)C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377782742 530325295 /nfs/dbraw/zinc/32/52/95/530325295.db2.gz UJFJDOWLEJFKDK-UHFFFAOYSA-N 1 2 378.539 -0.021 20 0 GBADLO CC(C)CCOCCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377782742 530325293 /nfs/dbraw/zinc/32/52/93/530325293.db2.gz UJFJDOWLEJFKDK-UHFFFAOYSA-N 1 2 378.539 -0.021 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1 ZINC000377787504 1073216452 /nfs/dbraw/zinc/21/64/52/1073216452.db2.gz ZJYMLVQQGMIOTL-UHFFFAOYSA-N 1 2 386.449 -0.616 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1 ZINC000377787504 1073216439 /nfs/dbraw/zinc/21/64/39/1073216439.db2.gz ZJYMLVQQGMIOTL-UHFFFAOYSA-N 1 2 386.449 -0.616 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)NCCOc2ccccc2)CC1 ZINC000377790076 1073216226 /nfs/dbraw/zinc/21/62/26/1073216226.db2.gz WMDRBDZPFGIVOV-UHFFFAOYSA-N 1 2 384.502 -0.004 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)NCCOc2ccccc2)CC1 ZINC000377790076 1073216220 /nfs/dbraw/zinc/21/62/20/1073216220.db2.gz WMDRBDZPFGIVOV-UHFFFAOYSA-N 1 2 384.502 -0.004 20 0 GBADLO CCOC(=O)CCS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000377794991 530325328 /nfs/dbraw/zinc/32/53/28/530325328.db2.gz ODDZQIOFIYZACM-UHFFFAOYSA-N 1 2 375.491 -0.101 20 0 GBADLO CCOC(=O)CCS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000377794991 530325326 /nfs/dbraw/zinc/32/53/26/530325326.db2.gz ODDZQIOFIYZACM-UHFFFAOYSA-N 1 2 375.491 -0.101 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCc3nn(CC)c(=O)cc3C2)CC1 ZINC000377830346 1073218773 /nfs/dbraw/zinc/21/87/73/1073218773.db2.gz CTBSTBSCIBXQSA-UHFFFAOYSA-N 1 2 377.445 -0.078 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCc3nn(CC)c(=O)cc3C2)CC1 ZINC000377830346 1073218770 /nfs/dbraw/zinc/21/87/70/1073218770.db2.gz CTBSTBSCIBXQSA-UHFFFAOYSA-N 1 2 377.445 -0.078 20 0 GBADLO COC(=O)CN(CCN1C(=O)NC2(CCCC2)C1=O)CC[NH+]1CCOCC1 ZINC000377861975 1073220662 /nfs/dbraw/zinc/22/06/62/1073220662.db2.gz UJEOEGFFFNBJKC-UHFFFAOYSA-N 1 2 382.461 -0.342 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377976191 530325617 /nfs/dbraw/zinc/32/56/17/530325617.db2.gz IKUIZCOUXINBHQ-AWEZNQCLSA-N 1 2 377.511 -0.769 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377976192 530325555 /nfs/dbraw/zinc/32/55/55/530325555.db2.gz IKUIZCOUXINBHQ-CQSZACIVSA-N 1 2 377.511 -0.769 20 0 GBADLO CN(C)S(=O)(=O)N1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000377992534 1073231777 /nfs/dbraw/zinc/23/17/77/1073231777.db2.gz RAUDRXMYYIBEFX-UHFFFAOYSA-N 1 2 391.538 -0.379 20 0 GBADLO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000378030027 1073234562 /nfs/dbraw/zinc/23/45/62/1073234562.db2.gz GHYPTFFYHDWLAY-BZUAXINKSA-N 1 2 387.488 -0.093 20 0 GBADLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000378030028 1073234693 /nfs/dbraw/zinc/23/46/93/1073234693.db2.gz GHYPTFFYHDWLAY-OAGGEKHMSA-N 1 2 387.488 -0.093 20 0 GBADLO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000378030029 1073234264 /nfs/dbraw/zinc/23/42/64/1073234264.db2.gz GHYPTFFYHDWLAY-OWCLPIDISA-N 1 2 387.488 -0.093 20 0 GBADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000378030030 1073234494 /nfs/dbraw/zinc/23/44/94/1073234494.db2.gz GHYPTFFYHDWLAY-PMPSAXMXSA-N 1 2 387.488 -0.093 20 0 GBADLO CN(C)S(=O)(=O)N1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000378070491 1073238049 /nfs/dbraw/zinc/23/80/49/1073238049.db2.gz KALFIXWAHJOWHE-UHFFFAOYSA-N 1 2 391.538 -0.379 20 0 GBADLO CN(C)S(=O)(=O)N1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000378070491 1073238043 /nfs/dbraw/zinc/23/80/43/1073238043.db2.gz KALFIXWAHJOWHE-UHFFFAOYSA-N 1 2 391.538 -0.379 20 0 GBADLO C[C@@H](NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000378075543 1073239080 /nfs/dbraw/zinc/23/90/80/1073239080.db2.gz TVQXUGLEDYPDQO-CABCVRRESA-N 1 2 391.538 -0.381 20 0 GBADLO C[C@H](NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000378075548 1073238727 /nfs/dbraw/zinc/23/87/27/1073238727.db2.gz TVQXUGLEDYPDQO-GJZGRUSLSA-N 1 2 391.538 -0.381 20 0 GBADLO C[C@@H](NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000378075550 1073238899 /nfs/dbraw/zinc/23/88/99/1073238899.db2.gz TVQXUGLEDYPDQO-HUUCEWRRSA-N 1 2 391.538 -0.381 20 0 GBADLO C[C@H]([C@H](C)NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000378075552 1073238791 /nfs/dbraw/zinc/23/87/91/1073238791.db2.gz TVQXUGLEDYPDQO-LSDHHAIUSA-N 1 2 391.538 -0.381 20 0 GBADLO CN(C)S(=O)(=O)N1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000378101258 1073240437 /nfs/dbraw/zinc/24/04/37/1073240437.db2.gz PWEPIXNKGWMYTD-UHFFFAOYSA-N 1 2 391.538 -0.379 20 0 GBADLO CN(C)S(=O)(=O)N1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000378101258 1073240431 /nfs/dbraw/zinc/24/04/31/1073240431.db2.gz PWEPIXNKGWMYTD-UHFFFAOYSA-N 1 2 391.538 -0.379 20 0 GBADLO C[C@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000378118145 530326036 /nfs/dbraw/zinc/32/60/36/530326036.db2.gz ZVYLBFUISDQZTF-KBPBESRZSA-N 1 2 391.519 -0.412 20 0 GBADLO C[C@@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000378118147 530326032 /nfs/dbraw/zinc/32/60/32/530326032.db2.gz ZVYLBFUISDQZTF-KGLIPLIRSA-N 1 2 391.519 -0.412 20 0 GBADLO C[C@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1n1cc[nH+]c1 ZINC000378118149 530326205 /nfs/dbraw/zinc/32/62/05/530326205.db2.gz ZVYLBFUISDQZTF-UONOGXRCSA-N 1 2 391.519 -0.412 20 0 GBADLO C[C@@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1n1cc[nH+]c1 ZINC000378118151 530326126 /nfs/dbraw/zinc/32/61/26/530326126.db2.gz ZVYLBFUISDQZTF-ZIAGYGMSSA-N 1 2 391.519 -0.412 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378127758 530326186 /nfs/dbraw/zinc/32/61/86/530326186.db2.gz RJENCTFVOIYGDR-QLFBSQMISA-N 1 2 397.563 -0.171 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378127758 530326183 /nfs/dbraw/zinc/32/61/83/530326183.db2.gz RJENCTFVOIYGDR-QLFBSQMISA-N 1 2 397.563 -0.171 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000378127760 530325958 /nfs/dbraw/zinc/32/59/58/530325958.db2.gz RJENCTFVOIYGDR-RBSFLKMASA-N 1 2 397.563 -0.171 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000378127762 530326083 /nfs/dbraw/zinc/32/60/83/530326083.db2.gz RJENCTFVOIYGDR-SOUVJXGZSA-N 1 2 397.563 -0.171 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378127764 530326067 /nfs/dbraw/zinc/32/60/67/530326067.db2.gz RJENCTFVOIYGDR-ZNMIVQPWSA-N 1 2 397.563 -0.171 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378127764 530326064 /nfs/dbraw/zinc/32/60/64/530326064.db2.gz RJENCTFVOIYGDR-ZNMIVQPWSA-N 1 2 397.563 -0.171 20 0 GBADLO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000378135209 1073242167 /nfs/dbraw/zinc/24/21/67/1073242167.db2.gz CVHJBNDRKPJTHW-UHFFFAOYSA-N 1 2 391.432 -0.955 20 0 GBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCNC(=O)C1 ZINC000378160325 1073244315 /nfs/dbraw/zinc/24/43/15/1073244315.db2.gz LTUJZVGCHZNSDZ-CABCVRRESA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCNC(=O)C1 ZINC000378160325 1073244306 /nfs/dbraw/zinc/24/43/06/1073244306.db2.gz LTUJZVGCHZNSDZ-CABCVRRESA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCNC(=O)C1 ZINC000378160326 1073244121 /nfs/dbraw/zinc/24/41/21/1073244121.db2.gz LTUJZVGCHZNSDZ-GJZGRUSLSA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCNC(=O)C1 ZINC000378160326 1073244117 /nfs/dbraw/zinc/24/41/17/1073244117.db2.gz LTUJZVGCHZNSDZ-GJZGRUSLSA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCNC(=O)C1 ZINC000378160327 1073244419 /nfs/dbraw/zinc/24/44/19/1073244419.db2.gz LTUJZVGCHZNSDZ-HUUCEWRRSA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCNC(=O)C1 ZINC000378160327 1073244414 /nfs/dbraw/zinc/24/44/14/1073244414.db2.gz LTUJZVGCHZNSDZ-HUUCEWRRSA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCNC(=O)C1 ZINC000378160328 1073244165 /nfs/dbraw/zinc/24/41/65/1073244165.db2.gz LTUJZVGCHZNSDZ-LSDHHAIUSA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCNC(=O)C1 ZINC000378160328 1073244158 /nfs/dbraw/zinc/24/41/58/1073244158.db2.gz LTUJZVGCHZNSDZ-LSDHHAIUSA-N 1 2 388.472 -0.076 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000378160527 530326042 /nfs/dbraw/zinc/32/60/42/530326042.db2.gz JGMHEPHJFSDOAI-GFCCVEGCSA-N 1 2 377.492 -0.241 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000378160530 530326225 /nfs/dbraw/zinc/32/62/25/530326225.db2.gz JGMHEPHJFSDOAI-LBPRGKRZSA-N 1 2 377.492 -0.241 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000378167345 530326147 /nfs/dbraw/zinc/32/61/47/530326147.db2.gz HOSQPYSRHBAPSQ-CHWSQXEVSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000378167345 530326145 /nfs/dbraw/zinc/32/61/45/530326145.db2.gz HOSQPYSRHBAPSQ-CHWSQXEVSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000378167346 530326011 /nfs/dbraw/zinc/32/60/11/530326011.db2.gz HOSQPYSRHBAPSQ-OLZOCXBDSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000378167346 530326009 /nfs/dbraw/zinc/32/60/09/530326009.db2.gz HOSQPYSRHBAPSQ-OLZOCXBDSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000378167347 530326292 /nfs/dbraw/zinc/32/62/92/530326292.db2.gz HOSQPYSRHBAPSQ-QWHCGFSZSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000378167347 530326290 /nfs/dbraw/zinc/32/62/90/530326290.db2.gz HOSQPYSRHBAPSQ-QWHCGFSZSA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000378167348 530326179 /nfs/dbraw/zinc/32/61/79/530326179.db2.gz HOSQPYSRHBAPSQ-STQMWFEESA-N 1 2 376.479 -0.653 20 0 GBADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000378167348 530326176 /nfs/dbraw/zinc/32/61/76/530326176.db2.gz HOSQPYSRHBAPSQ-STQMWFEESA-N 1 2 376.479 -0.653 20 0 GBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000378170516 1073245359 /nfs/dbraw/zinc/24/53/59/1073245359.db2.gz SSAGZMJXRUUYBA-CYBMUJFWSA-N 1 2 380.474 -0.087 20 0 GBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000378170517 1073245233 /nfs/dbraw/zinc/24/52/33/1073245233.db2.gz SSAGZMJXRUUYBA-ZDUSSCGKSA-N 1 2 380.474 -0.087 20 0 GBADLO CCn1c(N)c(C(=O)C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c(=O)[nH]c1=O ZINC000378199867 1073247619 /nfs/dbraw/zinc/24/76/19/1073247619.db2.gz JPSPGAFSSZWKQO-CYBMUJFWSA-N 1 2 379.461 -0.080 20 0 GBADLO CCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c(=O)[nH]c1=O ZINC000378199867 1073247610 /nfs/dbraw/zinc/24/76/10/1073247610.db2.gz JPSPGAFSSZWKQO-CYBMUJFWSA-N 1 2 379.461 -0.080 20 0 GBADLO CCn1c(N)c(C(=O)C[N@H+]2CCCC[C@H]2CN2CCOCC2)c(=O)[nH]c1=O ZINC000378199881 1073247593 /nfs/dbraw/zinc/24/75/93/1073247593.db2.gz JPSPGAFSSZWKQO-ZDUSSCGKSA-N 1 2 379.461 -0.080 20 0 GBADLO CCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c(=O)[nH]c1=O ZINC000378199881 1073247586 /nfs/dbraw/zinc/24/75/86/1073247586.db2.gz JPSPGAFSSZWKQO-ZDUSSCGKSA-N 1 2 379.461 -0.080 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)CCOCCOC)CC1 ZINC000378200860 530326608 /nfs/dbraw/zinc/32/66/08/530326608.db2.gz GVFVKWMFDDOZBR-UHFFFAOYSA-N 1 2 379.523 -0.145 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CCOCCOC)CC1 ZINC000378200860 530326606 /nfs/dbraw/zinc/32/66/06/530326606.db2.gz GVFVKWMFDDOZBR-UHFFFAOYSA-N 1 2 379.523 -0.145 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000378204671 1073248138 /nfs/dbraw/zinc/24/81/38/1073248138.db2.gz URGDVGQSZPZMDV-KBPBESRZSA-N 1 2 393.488 -0.576 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000378204671 1073248132 /nfs/dbraw/zinc/24/81/32/1073248132.db2.gz URGDVGQSZPZMDV-KBPBESRZSA-N 1 2 393.488 -0.576 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000378204672 1073248308 /nfs/dbraw/zinc/24/83/08/1073248308.db2.gz URGDVGQSZPZMDV-KGLIPLIRSA-N 1 2 393.488 -0.576 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000378204672 1073248307 /nfs/dbraw/zinc/24/83/07/1073248307.db2.gz URGDVGQSZPZMDV-KGLIPLIRSA-N 1 2 393.488 -0.576 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000378204673 1073248410 /nfs/dbraw/zinc/24/84/10/1073248410.db2.gz URGDVGQSZPZMDV-UONOGXRCSA-N 1 2 393.488 -0.576 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000378204673 1073248406 /nfs/dbraw/zinc/24/84/06/1073248406.db2.gz URGDVGQSZPZMDV-UONOGXRCSA-N 1 2 393.488 -0.576 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000378204674 1073248029 /nfs/dbraw/zinc/24/80/29/1073248029.db2.gz URGDVGQSZPZMDV-ZIAGYGMSSA-N 1 2 393.488 -0.576 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000378204674 1073248023 /nfs/dbraw/zinc/24/80/23/1073248023.db2.gz URGDVGQSZPZMDV-ZIAGYGMSSA-N 1 2 393.488 -0.576 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000378215224 1073248863 /nfs/dbraw/zinc/24/88/63/1073248863.db2.gz SXZMZXLOJCGIOL-FKEKPDDDSA-N 1 2 391.472 -0.227 20 0 GBADLO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000378227011 1073250725 /nfs/dbraw/zinc/25/07/25/1073250725.db2.gz OMCJNXINMVCAGP-HNNXBMFYSA-N 1 2 382.486 -0.659 20 0 GBADLO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000378227013 1073250832 /nfs/dbraw/zinc/25/08/32/1073250832.db2.gz OMCJNXINMVCAGP-OAHLLOKOSA-N 1 2 382.486 -0.659 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(Cn2ccnn2)CC1 ZINC000378257110 1073252295 /nfs/dbraw/zinc/25/22/95/1073252295.db2.gz QJTVQOHEARVBMA-KRWDZBQOSA-N 1 2 390.488 -0.303 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(Cn2ccnn2)CC1 ZINC000378257111 1073252353 /nfs/dbraw/zinc/25/23/53/1073252353.db2.gz QJTVQOHEARVBMA-QGZVFWFLSA-N 1 2 390.488 -0.303 20 0 GBADLO CCOC(=O)c1cnn2c1nccc2C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000378311276 1073256950 /nfs/dbraw/zinc/25/69/50/1073256950.db2.gz DAIRPAAYCZBGQQ-UHFFFAOYSA-N 1 2 388.428 -0.200 20 0 GBADLO CCOC(=O)c1cnn2c1nccc2C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000378311276 1073256942 /nfs/dbraw/zinc/25/69/42/1073256942.db2.gz DAIRPAAYCZBGQQ-UHFFFAOYSA-N 1 2 388.428 -0.200 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000378397771 530326421 /nfs/dbraw/zinc/32/64/21/530326421.db2.gz QRFMRYZUNOMFSE-AWEZNQCLSA-N 1 2 376.479 -0.588 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000378397784 530326474 /nfs/dbraw/zinc/32/64/74/530326474.db2.gz QRFMRYZUNOMFSE-CQSZACIVSA-N 1 2 376.479 -0.588 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)OCC)CC2)C1 ZINC000378410032 530326679 /nfs/dbraw/zinc/32/66/79/530326679.db2.gz OFYNOCMBSNPWOS-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCC(C(=O)OCC)CC2)C1 ZINC000378410032 530326677 /nfs/dbraw/zinc/32/66/77/530326677.db2.gz OFYNOCMBSNPWOS-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)OCC)CC2)C1 ZINC000378410033 530326484 /nfs/dbraw/zinc/32/64/84/530326484.db2.gz OFYNOCMBSNPWOS-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC(C(=O)OCC)CC2)C1 ZINC000378410033 530326483 /nfs/dbraw/zinc/32/64/83/530326483.db2.gz OFYNOCMBSNPWOS-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)OCC)CC2)C1 ZINC000378411760 530326562 /nfs/dbraw/zinc/32/65/62/530326562.db2.gz NLLLSKGLCNUGRS-CYBMUJFWSA-N 1 2 376.479 -0.699 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)OCC)CC2)C1 ZINC000378411760 530326559 /nfs/dbraw/zinc/32/65/59/530326559.db2.gz NLLLSKGLCNUGRS-CYBMUJFWSA-N 1 2 376.479 -0.699 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)OCC)CC2)C1 ZINC000378411761 530326520 /nfs/dbraw/zinc/32/65/20/530326520.db2.gz NLLLSKGLCNUGRS-ZDUSSCGKSA-N 1 2 376.479 -0.699 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)OCC)CC2)C1 ZINC000378411761 530326518 /nfs/dbraw/zinc/32/65/18/530326518.db2.gz NLLLSKGLCNUGRS-ZDUSSCGKSA-N 1 2 376.479 -0.699 20 0 GBADLO CCCC[N@@H+](CCCO)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000378463708 530326959 /nfs/dbraw/zinc/32/69/59/530326959.db2.gz AKORIQYOFSAFND-INIZCTEOSA-N 1 2 375.535 -0.198 20 0 GBADLO CCCC[N@H+](CCCO)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000378463708 530326957 /nfs/dbraw/zinc/32/69/57/530326957.db2.gz AKORIQYOFSAFND-INIZCTEOSA-N 1 2 375.535 -0.198 20 0 GBADLO CCCC[N@@H+](CCCO)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000378463709 530327023 /nfs/dbraw/zinc/32/70/23/530327023.db2.gz AKORIQYOFSAFND-MRXNPFEDSA-N 1 2 375.535 -0.198 20 0 GBADLO CCCC[N@H+](CCCO)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000378463709 530327020 /nfs/dbraw/zinc/32/70/20/530327020.db2.gz AKORIQYOFSAFND-MRXNPFEDSA-N 1 2 375.535 -0.198 20 0 GBADLO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378530966 530326827 /nfs/dbraw/zinc/32/68/27/530326827.db2.gz HLBQHWWKEADLDM-CYBMUJFWSA-N 1 2 376.479 -0.651 20 0 GBADLO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378530966 530326825 /nfs/dbraw/zinc/32/68/25/530326825.db2.gz HLBQHWWKEADLDM-CYBMUJFWSA-N 1 2 376.479 -0.651 20 0 GBADLO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378530970 530327122 /nfs/dbraw/zinc/32/71/22/530327122.db2.gz HLBQHWWKEADLDM-ZDUSSCGKSA-N 1 2 376.479 -0.651 20 0 GBADLO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378530970 530327121 /nfs/dbraw/zinc/32/71/21/530327121.db2.gz HLBQHWWKEADLDM-ZDUSSCGKSA-N 1 2 376.479 -0.651 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)O1 ZINC000378532291 1073272949 /nfs/dbraw/zinc/27/29/49/1073272949.db2.gz WQIZLPKAJVMDQY-CVEARBPZSA-N 1 2 394.476 -0.027 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)O1 ZINC000378532293 1073273134 /nfs/dbraw/zinc/27/31/34/1073273134.db2.gz WQIZLPKAJVMDQY-HOTGVXAUSA-N 1 2 394.476 -0.027 20 0 GBADLO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)O1 ZINC000378532297 1073273327 /nfs/dbraw/zinc/27/33/27/1073273327.db2.gz WQIZLPKAJVMDQY-HZPDHXFCSA-N 1 2 394.476 -0.027 20 0 GBADLO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)O1 ZINC000378533527 1073273172 /nfs/dbraw/zinc/27/31/72/1073273172.db2.gz WQIZLPKAJVMDQY-JKSUJKDBSA-N 1 2 394.476 -0.027 20 0 GBADLO O=C(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCC(F)(F)F ZINC000378550140 1073274725 /nfs/dbraw/zinc/27/47/25/1073274725.db2.gz NZZJBYNIWGKHBK-LLVKDONJSA-N 1 2 380.367 -0.896 20 0 GBADLO O=C(CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCC(F)(F)F ZINC000378550145 1073274781 /nfs/dbraw/zinc/27/47/81/1073274781.db2.gz NZZJBYNIWGKHBK-NSHDSACASA-N 1 2 380.367 -0.896 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 ZINC000378551469 1073274484 /nfs/dbraw/zinc/27/44/84/1073274484.db2.gz JFORIEZENKDDEE-CVEARBPZSA-N 1 2 392.481 -0.029 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 ZINC000378551469 1073274477 /nfs/dbraw/zinc/27/44/77/1073274477.db2.gz JFORIEZENKDDEE-CVEARBPZSA-N 1 2 392.481 -0.029 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1 ZINC000378551470 1073274636 /nfs/dbraw/zinc/27/46/36/1073274636.db2.gz JFORIEZENKDDEE-HOTGVXAUSA-N 1 2 392.481 -0.029 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1 ZINC000378551470 1073274633 /nfs/dbraw/zinc/27/46/33/1073274633.db2.gz JFORIEZENKDDEE-HOTGVXAUSA-N 1 2 392.481 -0.029 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 ZINC000378551471 1073275413 /nfs/dbraw/zinc/27/54/13/1073275413.db2.gz JFORIEZENKDDEE-HZPDHXFCSA-N 1 2 392.481 -0.029 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 ZINC000378551471 1073275400 /nfs/dbraw/zinc/27/54/00/1073275400.db2.gz JFORIEZENKDDEE-HZPDHXFCSA-N 1 2 392.481 -0.029 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1 ZINC000378551472 1073275533 /nfs/dbraw/zinc/27/55/33/1073275533.db2.gz JFORIEZENKDDEE-JKSUJKDBSA-N 1 2 392.481 -0.029 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1 ZINC000378551472 1073275527 /nfs/dbraw/zinc/27/55/27/1073275527.db2.gz JFORIEZENKDDEE-JKSUJKDBSA-N 1 2 392.481 -0.029 20 0 GBADLO O=C(NCCNC(=O)c1ccn[nH]1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000378590728 1073278159 /nfs/dbraw/zinc/27/81/59/1073278159.db2.gz QTGYQCSRISCCDU-INIZCTEOSA-N 1 2 382.490 -0.353 20 0 GBADLO O=C(NCCNC(=O)c1ccn[nH]1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000378590736 1073278233 /nfs/dbraw/zinc/27/82/33/1073278233.db2.gz QTGYQCSRISCCDU-MRXNPFEDSA-N 1 2 382.490 -0.353 20 0 GBADLO CN(C)C(=O)c1cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1C ZINC000378592575 1073279102 /nfs/dbraw/zinc/27/91/02/1073279102.db2.gz CMRFLOAUOJXSJW-GDBMZVCRSA-N 1 2 384.502 -0.053 20 0 GBADLO CN(C)C(=O)c1cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1C ZINC000378592577 1073279059 /nfs/dbraw/zinc/27/90/59/1073279059.db2.gz CMRFLOAUOJXSJW-GOEBONIOSA-N 1 2 384.502 -0.053 20 0 GBADLO CN(C)C(=O)c1cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1C ZINC000378592578 1073278993 /nfs/dbraw/zinc/27/89/93/1073278993.db2.gz CMRFLOAUOJXSJW-HOCLYGCPSA-N 1 2 384.502 -0.053 20 0 GBADLO CN(C)C(=O)c1cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1C ZINC000378592580 1073278851 /nfs/dbraw/zinc/27/88/51/1073278851.db2.gz CMRFLOAUOJXSJW-ZBFHGGJFSA-N 1 2 384.502 -0.053 20 0 GBADLO O=S(=O)(c1cccc(-n2cnnn2)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000378600073 1073279478 /nfs/dbraw/zinc/27/94/78/1073279478.db2.gz PEAWOSUNYVOIKH-CVEARBPZSA-N 1 2 378.458 -0.118 20 0 GBADLO O=S(=O)(c1cccc(-n2cnnn2)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000378600085 1073279555 /nfs/dbraw/zinc/27/95/55/1073279555.db2.gz PEAWOSUNYVOIKH-HOTGVXAUSA-N 1 2 378.458 -0.118 20 0 GBADLO O=S(=O)(c1cccc(-n2cnnn2)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000378600086 1073279565 /nfs/dbraw/zinc/27/95/65/1073279565.db2.gz PEAWOSUNYVOIKH-HZPDHXFCSA-N 1 2 378.458 -0.118 20 0 GBADLO O=S(=O)(c1cccc(-n2cnnn2)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000378600087 1073279502 /nfs/dbraw/zinc/27/95/02/1073279502.db2.gz PEAWOSUNYVOIKH-JKSUJKDBSA-N 1 2 378.458 -0.118 20 0 GBADLO Cn1ncc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1I ZINC000394812346 677368419 /nfs/dbraw/zinc/36/84/19/677368419.db2.gz TXNWKRGTEXUYRH-SECBINFHSA-N 1 2 375.214 -0.246 20 0 GBADLO Cn1ncc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1I ZINC000394812350 677368269 /nfs/dbraw/zinc/36/82/69/677368269.db2.gz TXNWKRGTEXUYRH-VIFPVBQESA-N 1 2 375.214 -0.246 20 0 GBADLO CS(=O)(=O)CS(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397485908 1072298897 /nfs/dbraw/zinc/29/88/97/1072298897.db2.gz BPZBYJQCGCYUOK-UHFFFAOYSA-N 1 2 376.500 -0.065 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397489586 677368597 /nfs/dbraw/zinc/36/85/97/677368597.db2.gz HCHBKSVLPZRBHL-UHFFFAOYSA-N 1 2 390.527 -0.023 20 0 GBADLO CN(CC(F)(F)F)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000407956918 530128773 /nfs/dbraw/zinc/12/87/73/530128773.db2.gz XNGPQAASYKKJFZ-UHFFFAOYSA-N 1 2 387.428 -0.290 20 0 GBADLO CC(C)NC(=O)CC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000407981157 530132277 /nfs/dbraw/zinc/13/22/77/530132277.db2.gz AZIWOYKJLYOPDL-GASCZTMLSA-N 1 2 376.523 -0.127 20 0 GBADLO CC(C)NC(=O)CC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000407981159 530132478 /nfs/dbraw/zinc/13/24/78/530132478.db2.gz AZIWOYKJLYOPDL-GJZGRUSLSA-N 1 2 376.523 -0.127 20 0 GBADLO CC(C)NC(=O)CC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000407981161 530132303 /nfs/dbraw/zinc/13/23/03/530132303.db2.gz AZIWOYKJLYOPDL-HUUCEWRRSA-N 1 2 376.523 -0.127 20 0 GBADLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C[C@H]21 ZINC000408022711 1073111293 /nfs/dbraw/zinc/11/12/93/1073111293.db2.gz NMIWIUYILSJWRZ-CVEARBPZSA-N 1 2 398.485 -0.419 20 0 GBADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C[C@H]21 ZINC000408022711 1073111287 /nfs/dbraw/zinc/11/12/87/1073111287.db2.gz NMIWIUYILSJWRZ-CVEARBPZSA-N 1 2 398.485 -0.419 20 0 GBADLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C[C@@H]21 ZINC000408022712 1073111265 /nfs/dbraw/zinc/11/12/65/1073111265.db2.gz NMIWIUYILSJWRZ-HOTGVXAUSA-N 1 2 398.485 -0.419 20 0 GBADLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C[C@@H]21 ZINC000408022712 1073111259 /nfs/dbraw/zinc/11/12/59/1073111259.db2.gz NMIWIUYILSJWRZ-HOTGVXAUSA-N 1 2 398.485 -0.419 20 0 GBADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C[C@H]21 ZINC000408022713 1073111810 /nfs/dbraw/zinc/11/18/10/1073111810.db2.gz NMIWIUYILSJWRZ-HZPDHXFCSA-N 1 2 398.485 -0.419 20 0 GBADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C[C@H]21 ZINC000408022713 1073111806 /nfs/dbraw/zinc/11/18/06/1073111806.db2.gz NMIWIUYILSJWRZ-HZPDHXFCSA-N 1 2 398.485 -0.419 20 0 GBADLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C[C@@H]21 ZINC000408022714 1073112106 /nfs/dbraw/zinc/11/21/06/1073112106.db2.gz NMIWIUYILSJWRZ-JKSUJKDBSA-N 1 2 398.485 -0.419 20 0 GBADLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C[C@@H]21 ZINC000408022714 1073112104 /nfs/dbraw/zinc/11/21/04/1073112104.db2.gz NMIWIUYILSJWRZ-JKSUJKDBSA-N 1 2 398.485 -0.419 20 0 GBADLO COCc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000408044089 1073153458 /nfs/dbraw/zinc/15/34/58/1073153458.db2.gz SDHCPSBAERKAHY-UHFFFAOYSA-N 1 2 386.474 -0.324 20 0 GBADLO CCc1cnccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408056262 1073221324 /nfs/dbraw/zinc/22/13/24/1073221324.db2.gz FLAYLAJJUYGJHX-UHFFFAOYSA-N 1 2 381.502 -0.106 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000408062769 530140930 /nfs/dbraw/zinc/14/09/30/530140930.db2.gz RCTQSMFFAXCFBN-UHFFFAOYSA-N 1 2 389.499 -0.181 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000408090825 530146162 /nfs/dbraw/zinc/14/61/62/530146162.db2.gz SNTPNWFWPTUFTB-CYBMUJFWSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000408090825 530146161 /nfs/dbraw/zinc/14/61/61/530146161.db2.gz SNTPNWFWPTUFTB-CYBMUJFWSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000408090826 530146383 /nfs/dbraw/zinc/14/63/83/530146383.db2.gz SNTPNWFWPTUFTB-ZDUSSCGKSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000408090826 530146381 /nfs/dbraw/zinc/14/63/81/530146381.db2.gz SNTPNWFWPTUFTB-ZDUSSCGKSA-N 1 2 375.491 -0.246 20 0 GBADLO Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000408096829 530149413 /nfs/dbraw/zinc/14/94/13/530149413.db2.gz GERJXBNTOMIFBA-UHFFFAOYSA-N 1 2 392.503 -0.613 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC000408120836 530154323 /nfs/dbraw/zinc/15/43/23/530154323.db2.gz JDLDDAXDJZIJBR-QWHCGFSZSA-N 1 2 375.491 -0.248 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC000408120836 530154321 /nfs/dbraw/zinc/15/43/21/530154321.db2.gz JDLDDAXDJZIJBR-QWHCGFSZSA-N 1 2 375.491 -0.248 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC000408120837 530154080 /nfs/dbraw/zinc/15/40/80/530154080.db2.gz JDLDDAXDJZIJBR-STQMWFEESA-N 1 2 375.491 -0.248 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC000408120837 530154078 /nfs/dbraw/zinc/15/40/78/530154078.db2.gz JDLDDAXDJZIJBR-STQMWFEESA-N 1 2 375.491 -0.248 20 0 GBADLO CCCCCS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408135342 530155339 /nfs/dbraw/zinc/15/53/39/530155339.db2.gz XLDVAWALAFVWLZ-UHFFFAOYSA-N 1 2 382.552 -0.384 20 0 GBADLO CN(C1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1)S(C)(=O)=O ZINC000408140195 1073383799 /nfs/dbraw/zinc/38/37/99/1073383799.db2.gz QWCVOVCVMLDKBE-UHFFFAOYSA-N 1 2 386.518 -0.577 20 0 GBADLO O=C(C(=O)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1)N1CCCC1 ZINC000408144962 1073385845 /nfs/dbraw/zinc/38/58/45/1073385845.db2.gz DYUAZHKBQMAVQP-KRWDZBQOSA-N 1 2 392.500 -0.077 20 0 GBADLO O=C(C(=O)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1)N1CCCC1 ZINC000408144962 1073385841 /nfs/dbraw/zinc/38/58/41/1073385841.db2.gz DYUAZHKBQMAVQP-KRWDZBQOSA-N 1 2 392.500 -0.077 20 0 GBADLO O=C(C(=O)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1)N1CCCC1 ZINC000408144964 1073385673 /nfs/dbraw/zinc/38/56/73/1073385673.db2.gz DYUAZHKBQMAVQP-QGZVFWFLSA-N 1 2 392.500 -0.077 20 0 GBADLO O=C(C(=O)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1)N1CCCC1 ZINC000408144964 1073385667 /nfs/dbraw/zinc/38/56/67/1073385667.db2.gz DYUAZHKBQMAVQP-QGZVFWFLSA-N 1 2 392.500 -0.077 20 0 GBADLO CC[C@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408149447 530157443 /nfs/dbraw/zinc/15/74/43/530157443.db2.gz IHKNPWMTAFRVIO-AWEZNQCLSA-N 1 2 382.552 -0.528 20 0 GBADLO CC[C@@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408149449 530157174 /nfs/dbraw/zinc/15/71/74/530157174.db2.gz IHKNPWMTAFRVIO-CQSZACIVSA-N 1 2 382.552 -0.528 20 0 GBADLO CCC[C@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408150303 530158779 /nfs/dbraw/zinc/15/87/79/530158779.db2.gz LMRRKZFUTNVCIR-HNNXBMFYSA-N 1 2 396.579 -0.138 20 0 GBADLO CCC[C@@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408150307 530158784 /nfs/dbraw/zinc/15/87/84/530158784.db2.gz LMRRKZFUTNVCIR-OAHLLOKOSA-N 1 2 396.579 -0.138 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CCC(C)(C)C)CC2)CC1 ZINC000408152238 530159130 /nfs/dbraw/zinc/15/91/30/530159130.db2.gz YAOBGCCVFWSCQN-UHFFFAOYSA-N 1 2 396.579 -0.138 20 0 GBADLO CNC(=O)c1cccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000408159856 1073404049 /nfs/dbraw/zinc/40/40/49/1073404049.db2.gz RYSVATFYKFHRPW-UHFFFAOYSA-N 1 2 395.529 -0.344 20 0 GBADLO C[C@@H](C(=O)OC(C)(C)C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408206124 530184349 /nfs/dbraw/zinc/18/43/49/530184349.db2.gz MSQZEIJBTKSTGT-AWEZNQCLSA-N 1 2 376.523 -0.174 20 0 GBADLO C[C@H](C(=O)OC(C)(C)C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408206126 530184545 /nfs/dbraw/zinc/18/45/45/530184545.db2.gz MSQZEIJBTKSTGT-CQSZACIVSA-N 1 2 376.523 -0.174 20 0 GBADLO COCCC(C)(C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408216592 530188417 /nfs/dbraw/zinc/18/84/17/530188417.db2.gz WXBBHIQULNWGEG-UHFFFAOYSA-N 1 2 376.523 -0.315 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)C)CC2)CC1 ZINC000408223843 530189509 /nfs/dbraw/zinc/18/95/09/530189509.db2.gz VCCJAJJJHRFRQH-UHFFFAOYSA-N 1 2 382.552 -0.528 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC000408232612 530190599 /nfs/dbraw/zinc/19/05/99/530190599.db2.gz PPGLRFNMSYRMDJ-GRYCIOLGSA-N 1 2 375.413 -0.119 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000408232616 530190715 /nfs/dbraw/zinc/19/07/15/530190715.db2.gz PPGLRFNMSYRMDJ-IJLUTSLNSA-N 1 2 375.413 -0.119 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC000408232617 530190841 /nfs/dbraw/zinc/19/08/41/530190841.db2.gz PPGLRFNMSYRMDJ-TUAOUCFPSA-N 1 2 375.413 -0.119 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000408232619 530190847 /nfs/dbraw/zinc/19/08/47/530190847.db2.gz PPGLRFNMSYRMDJ-UTUOFQBUSA-N 1 2 375.413 -0.119 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000408235217 530191127 /nfs/dbraw/zinc/19/11/27/530191127.db2.gz HOUJSIMWFNIYTK-AWEZNQCLSA-N 1 2 375.491 -0.230 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000408235219 530191111 /nfs/dbraw/zinc/19/11/11/530191111.db2.gz HOUJSIMWFNIYTK-CQSZACIVSA-N 1 2 375.491 -0.230 20 0 GBADLO CN(C1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000408242885 530191858 /nfs/dbraw/zinc/19/18/58/530191858.db2.gz ZHXMSALVAUBBHZ-UHFFFAOYSA-N 1 2 383.536 -0.606 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3ccncc3Cl)CC2)CC1 ZINC000408247704 530191740 /nfs/dbraw/zinc/19/17/40/530191740.db2.gz WUTUXEQJBSJTEY-UHFFFAOYSA-N 1 2 387.893 -0.015 20 0 GBADLO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000408301072 530194450 /nfs/dbraw/zinc/19/44/50/530194450.db2.gz NSYNMEIKUXKKQD-UHFFFAOYSA-N 1 2 389.499 -0.181 20 0 GBADLO CC[C@@H](C)[C@H](OC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408308872 530195090 /nfs/dbraw/zinc/19/50/90/530195090.db2.gz WVYURQMZJQTFPE-CABCVRRESA-N 1 2 376.523 -0.316 20 0 GBADLO CC[C@H](C)[C@H](OC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408308876 530195076 /nfs/dbraw/zinc/19/50/76/530195076.db2.gz WVYURQMZJQTFPE-GJZGRUSLSA-N 1 2 376.523 -0.316 20 0 GBADLO CC[C@@H](C)[C@@H](OC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408308878 530194901 /nfs/dbraw/zinc/19/49/01/530194901.db2.gz WVYURQMZJQTFPE-HUUCEWRRSA-N 1 2 376.523 -0.316 20 0 GBADLO CC[C@H](C)[C@@H](OC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408308880 530194929 /nfs/dbraw/zinc/19/49/29/530194929.db2.gz WVYURQMZJQTFPE-LSDHHAIUSA-N 1 2 376.523 -0.316 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408310610 530194883 /nfs/dbraw/zinc/19/48/83/530194883.db2.gz SWXWTAWABJVBKX-HNNXBMFYSA-N 1 2 375.539 -0.649 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408310613 530195133 /nfs/dbraw/zinc/19/51/33/530195133.db2.gz SWXWTAWABJVBKX-OAHLLOKOSA-N 1 2 375.539 -0.649 20 0 GBADLO CCN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408386724 530200086 /nfs/dbraw/zinc/20/00/86/530200086.db2.gz RLGGLGFJYNLBAC-GASCZTMLSA-N 1 2 376.523 -0.174 20 0 GBADLO CCN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000408386725 530200335 /nfs/dbraw/zinc/20/03/35/530200335.db2.gz RLGGLGFJYNLBAC-GJZGRUSLSA-N 1 2 376.523 -0.174 20 0 GBADLO CCN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000408386727 530200011 /nfs/dbraw/zinc/20/00/11/530200011.db2.gz RLGGLGFJYNLBAC-HUUCEWRRSA-N 1 2 376.523 -0.174 20 0 GBADLO COC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c[nH]1 ZINC000408388244 1073692674 /nfs/dbraw/zinc/69/26/74/1073692674.db2.gz BDEIEEVCCWHOHS-UHFFFAOYSA-N 1 2 399.473 -0.949 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000408408848 530204166 /nfs/dbraw/zinc/20/41/66/530204166.db2.gz RGJPPRMEDCJXKJ-UHFFFAOYSA-N 1 2 377.511 -0.675 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000408435034 530097436 /nfs/dbraw/zinc/09/74/36/530097436.db2.gz KYBOZRLFSAXCHA-UHFFFAOYSA-N 1 2 392.503 -0.781 20 0 GBADLO CC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000408443513 1073877562 /nfs/dbraw/zinc/87/75/62/1073877562.db2.gz OGMQLLIDGAZYCM-UHFFFAOYSA-N 1 2 384.458 -0.268 20 0 GBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC1 ZINC000408447024 1073884310 /nfs/dbraw/zinc/88/43/10/1073884310.db2.gz ALGZDEHCBSSJQC-GFCCVEGCSA-N 1 2 389.460 -0.495 20 0 GBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC1 ZINC000408447027 1073883532 /nfs/dbraw/zinc/88/35/32/1073883532.db2.gz ALGZDEHCBSSJQC-LBPRGKRZSA-N 1 2 389.460 -0.495 20 0 GBADLO COC(=O)C1(C[NH+]2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000408449658 530209267 /nfs/dbraw/zinc/20/92/67/530209267.db2.gz AXIDEVACLFIVKI-KBPBESRZSA-N 1 2 375.491 -0.089 20 0 GBADLO COC(=O)C1(C[NH+]2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000408449660 530209505 /nfs/dbraw/zinc/20/95/05/530209505.db2.gz AXIDEVACLFIVKI-OKILXGFUSA-N 1 2 375.491 -0.089 20 0 GBADLO COC(=O)C1(C[NH+]2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000408449661 530111616 /nfs/dbraw/zinc/11/16/16/530111616.db2.gz AXIDEVACLFIVKI-ZIAGYGMSSA-N 1 2 375.491 -0.089 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000408468853 530211348 /nfs/dbraw/zinc/21/13/48/530211348.db2.gz RPUZLISCVHXHKN-UHFFFAOYSA-N 1 2 377.511 -0.675 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000408468853 530211347 /nfs/dbraw/zinc/21/13/47/530211347.db2.gz RPUZLISCVHXHKN-UHFFFAOYSA-N 1 2 377.511 -0.675 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000408469028 530211263 /nfs/dbraw/zinc/21/12/63/530211263.db2.gz SBYYXRKDBUKSOD-UHFFFAOYSA-N 1 2 377.511 -0.675 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000408469028 530211261 /nfs/dbraw/zinc/21/12/61/530211261.db2.gz SBYYXRKDBUKSOD-UHFFFAOYSA-N 1 2 377.511 -0.675 20 0 GBADLO CCCC[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000409448629 530096848 /nfs/dbraw/zinc/09/68/48/530096848.db2.gz ZFTOCJYJDSTSMS-CYBMUJFWSA-N 1 2 378.520 -0.012 20 0 GBADLO CCCC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000409448629 530096846 /nfs/dbraw/zinc/09/68/46/530096846.db2.gz ZFTOCJYJDSTSMS-CYBMUJFWSA-N 1 2 378.520 -0.012 20 0 GBADLO CCCC[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000409448630 530096695 /nfs/dbraw/zinc/09/66/95/530096695.db2.gz ZFTOCJYJDSTSMS-ZDUSSCGKSA-N 1 2 378.520 -0.012 20 0 GBADLO CCCC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000409448630 530096693 /nfs/dbraw/zinc/09/66/93/530096693.db2.gz ZFTOCJYJDSTSMS-ZDUSSCGKSA-N 1 2 378.520 -0.012 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cn1 ZINC000409449023 530096688 /nfs/dbraw/zinc/09/66/88/530096688.db2.gz XIIIEDITQYMSEO-KBPBESRZSA-N 1 2 378.520 -0.014 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cn1 ZINC000409449023 530096686 /nfs/dbraw/zinc/09/66/86/530096686.db2.gz XIIIEDITQYMSEO-KBPBESRZSA-N 1 2 378.520 -0.014 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cn1 ZINC000409449024 530096814 /nfs/dbraw/zinc/09/68/14/530096814.db2.gz XIIIEDITQYMSEO-KGLIPLIRSA-N 1 2 378.520 -0.014 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cn1 ZINC000409449024 530096812 /nfs/dbraw/zinc/09/68/12/530096812.db2.gz XIIIEDITQYMSEO-KGLIPLIRSA-N 1 2 378.520 -0.014 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cn1 ZINC000409449025 530096747 /nfs/dbraw/zinc/09/67/47/530096747.db2.gz XIIIEDITQYMSEO-UONOGXRCSA-N 1 2 378.520 -0.014 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cn1 ZINC000409449025 530096745 /nfs/dbraw/zinc/09/67/45/530096745.db2.gz XIIIEDITQYMSEO-UONOGXRCSA-N 1 2 378.520 -0.014 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cn1 ZINC000409449026 530096772 /nfs/dbraw/zinc/09/67/72/530096772.db2.gz XIIIEDITQYMSEO-ZIAGYGMSSA-N 1 2 378.520 -0.014 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cn1 ZINC000409449026 530096770 /nfs/dbraw/zinc/09/67/70/530096770.db2.gz XIIIEDITQYMSEO-ZIAGYGMSSA-N 1 2 378.520 -0.014 20 0 GBADLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000409449935 530096580 /nfs/dbraw/zinc/09/65/80/530096580.db2.gz BJBNOTRLDPVJNQ-CYBMUJFWSA-N 1 2 391.515 -0.026 20 0 GBADLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000409449935 530096576 /nfs/dbraw/zinc/09/65/76/530096576.db2.gz BJBNOTRLDPVJNQ-CYBMUJFWSA-N 1 2 391.515 -0.026 20 0 GBADLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000409449936 530096754 /nfs/dbraw/zinc/09/67/54/530096754.db2.gz BJBNOTRLDPVJNQ-ZDUSSCGKSA-N 1 2 391.515 -0.026 20 0 GBADLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000409449936 530096752 /nfs/dbraw/zinc/09/67/52/530096752.db2.gz BJBNOTRLDPVJNQ-ZDUSSCGKSA-N 1 2 391.515 -0.026 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000409450263 530096861 /nfs/dbraw/zinc/09/68/61/530096861.db2.gz MBFFXTIRTBITAI-AWEZNQCLSA-N 1 2 390.531 -0.058 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000409450263 530096860 /nfs/dbraw/zinc/09/68/60/530096860.db2.gz MBFFXTIRTBITAI-AWEZNQCLSA-N 1 2 390.531 -0.058 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000409450264 530096792 /nfs/dbraw/zinc/09/67/92/530096792.db2.gz MBFFXTIRTBITAI-CQSZACIVSA-N 1 2 390.531 -0.058 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000409450264 530096790 /nfs/dbraw/zinc/09/67/90/530096790.db2.gz MBFFXTIRTBITAI-CQSZACIVSA-N 1 2 390.531 -0.058 20 0 GBADLO CCCS(=O)(=O)NC1CC[NH+](CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000409450425 530096672 /nfs/dbraw/zinc/09/66/72/530096672.db2.gz QETQUUZHJPUIET-UHFFFAOYSA-N 1 2 393.535 -0.508 20 0 GBADLO CCOC1CC(CNC(=O)NC[C@@H](C)S(N)(=O)=O)([NH+]2CCOCC2)C1 ZINC000409627407 530097591 /nfs/dbraw/zinc/09/75/91/530097591.db2.gz NBPLZJMTIUSCIT-DNOWBOINSA-N 1 2 378.495 -0.768 20 0 GBADLO CCOC1CC(CNC(=O)NC[C@H](C)S(N)(=O)=O)([NH+]2CCOCC2)C1 ZINC000409627408 530097657 /nfs/dbraw/zinc/09/76/57/530097657.db2.gz NBPLZJMTIUSCIT-OPFPJEHXSA-N 1 2 378.495 -0.768 20 0 GBADLO CCSCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000409673328 530097565 /nfs/dbraw/zinc/09/75/65/530097565.db2.gz ZBHLWRXDMDOJTQ-UHFFFAOYSA-N 1 2 393.579 -0.051 20 0 GBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCCCS1(=O)=O ZINC000410167290 530099387 /nfs/dbraw/zinc/09/93/87/530099387.db2.gz PIUBAOOAZJRWST-AWEZNQCLSA-N 1 2 375.491 -0.797 20 0 GBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCCCS1(=O)=O ZINC000410167291 530099426 /nfs/dbraw/zinc/09/94/26/530099426.db2.gz PIUBAOOAZJRWST-CQSZACIVSA-N 1 2 375.491 -0.797 20 0 GBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CS(=O)(=O)C1CCCC1 ZINC000410169067 1072236062 /nfs/dbraw/zinc/23/60/62/1072236062.db2.gz QGMVRJXKVMRFIT-UHFFFAOYSA-N 1 2 389.518 -0.407 20 0 GBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CS(=O)(=O)CC(C)C ZINC000410170279 530099598 /nfs/dbraw/zinc/09/95/98/530099598.db2.gz ZWOZSQQJPNQZSY-UHFFFAOYSA-N 1 2 377.507 -0.694 20 0 GBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CS(=O)(=O)C(C)(C)C ZINC000410171765 530099538 /nfs/dbraw/zinc/09/95/38/530099538.db2.gz VVPAWJLWCVIAKK-UHFFFAOYSA-N 1 2 377.507 -0.551 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC000410573279 1073750660 /nfs/dbraw/zinc/75/06/60/1073750660.db2.gz IDWQYUUINIUQBF-GFCCVEGCSA-N 1 2 398.401 -0.444 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC000410573284 1073750546 /nfs/dbraw/zinc/75/05/46/1073750546.db2.gz IDWQYUUINIUQBF-LBPRGKRZSA-N 1 2 398.401 -0.444 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000410578324 1073753565 /nfs/dbraw/zinc/75/35/65/1073753565.db2.gz CIZZKULDVATZDZ-UHFFFAOYSA-N 1 2 392.504 -0.377 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000410578324 1073753559 /nfs/dbraw/zinc/75/35/59/1073753559.db2.gz CIZZKULDVATZDZ-UHFFFAOYSA-N 1 2 392.504 -0.377 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000410582281 1073756600 /nfs/dbraw/zinc/75/66/00/1073756600.db2.gz OKOPDSLTALUSFW-UHFFFAOYSA-N 1 2 392.504 -0.377 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C[C@H](C)O1 ZINC000410588187 1073758233 /nfs/dbraw/zinc/75/82/33/1073758233.db2.gz XBBPGKPARNAPPH-IYBDPMFKSA-N 1 2 392.504 -0.379 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)C[C@H](C)O1 ZINC000410588187 1073758222 /nfs/dbraw/zinc/75/82/22/1073758222.db2.gz XBBPGKPARNAPPH-IYBDPMFKSA-N 1 2 392.504 -0.379 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000410603448 1073761852 /nfs/dbraw/zinc/76/18/52/1073761852.db2.gz BMXAVODZKQIEFS-PBHICJAKSA-N 1 2 377.441 -0.183 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000410603449 1073762150 /nfs/dbraw/zinc/76/21/50/1073762150.db2.gz BMXAVODZKQIEFS-RHSMWYFYSA-N 1 2 377.441 -0.183 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000410603451 1073762638 /nfs/dbraw/zinc/76/26/38/1073762638.db2.gz BMXAVODZKQIEFS-YOEHRIQHSA-N 1 2 377.441 -0.183 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C[C@H](C)O1 ZINC000410605562 1073764471 /nfs/dbraw/zinc/76/44/71/1073764471.db2.gz HMAWNZKULWVGCY-KSZLIROESA-N 1 2 396.532 -0.123 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C[C@H](C)O1 ZINC000410605562 1073764463 /nfs/dbraw/zinc/76/44/63/1073764463.db2.gz HMAWNZKULWVGCY-KSZLIROESA-N 1 2 396.532 -0.123 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)CC1 ZINC000410609467 1073766216 /nfs/dbraw/zinc/76/62/16/1073766216.db2.gz RVGWKEPGBUMVCB-SFHVURJKSA-N 1 2 396.532 -0.121 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CC1 ZINC000410611078 1073767746 /nfs/dbraw/zinc/76/77/46/1073767746.db2.gz VRWJLWBZRLCGET-AEFFLSMTSA-N 1 2 391.468 -0.182 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC000410611080 1073767507 /nfs/dbraw/zinc/76/75/07/1073767507.db2.gz VRWJLWBZRLCGET-FUHWJXTLSA-N 1 2 391.468 -0.182 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC000410611081 1073767830 /nfs/dbraw/zinc/76/78/30/1073767830.db2.gz VRWJLWBZRLCGET-SJLPKXTDSA-N 1 2 391.468 -0.182 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CC1 ZINC000410611083 1073767423 /nfs/dbraw/zinc/76/74/23/1073767423.db2.gz VRWJLWBZRLCGET-WMZOPIPTSA-N 1 2 391.468 -0.182 20 0 GBADLO CC(C)CN1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000410632202 1073773805 /nfs/dbraw/zinc/77/38/05/1073773805.db2.gz PIVGJUFHDCULTP-IYBDPMFKSA-N 1 2 382.505 -0.119 20 0 GBADLO CC(C)CN1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000410632202 1073773801 /nfs/dbraw/zinc/77/38/01/1073773801.db2.gz PIVGJUFHDCULTP-IYBDPMFKSA-N 1 2 382.505 -0.119 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C[C@H](C)O1 ZINC000410632372 1073774121 /nfs/dbraw/zinc/77/41/21/1073774121.db2.gz PTWKHUPJBGSJPT-KHYOSLBOSA-N 1 2 380.489 -0.317 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C[C@H](C)O1 ZINC000410632372 1073774117 /nfs/dbraw/zinc/77/41/17/1073774117.db2.gz PTWKHUPJBGSJPT-KHYOSLBOSA-N 1 2 380.489 -0.317 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C[C@H](C)O1 ZINC000410632373 1073773822 /nfs/dbraw/zinc/77/38/22/1073773822.db2.gz PTWKHUPJBGSJPT-ZRGWGRIASA-N 1 2 380.489 -0.317 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C[C@H](C)O1 ZINC000410632373 1073773813 /nfs/dbraw/zinc/77/38/13/1073773813.db2.gz PTWKHUPJBGSJPT-ZRGWGRIASA-N 1 2 380.489 -0.317 20 0 GBADLO C[C@@H]1CN(CCN(C)C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000410633524 1073772877 /nfs/dbraw/zinc/77/28/77/1073772877.db2.gz SJCVRLRPMNLEAM-WNKDZCFJSA-N 1 2 384.521 -0.533 20 0 GBADLO C[C@@H]1CN(CCN(C)C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000410633524 1073772872 /nfs/dbraw/zinc/77/28/72/1073772872.db2.gz SJCVRLRPMNLEAM-WNKDZCFJSA-N 1 2 384.521 -0.533 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C[C@H](C)O1 ZINC000410637785 1073774733 /nfs/dbraw/zinc/77/47/33/1073774733.db2.gz ZMPXJGRXKTYQSA-IJEWVQPXSA-N 1 2 395.504 -0.384 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C[C@H](C)O1 ZINC000410637785 1073774725 /nfs/dbraw/zinc/77/47/25/1073774725.db2.gz ZMPXJGRXKTYQSA-IJEWVQPXSA-N 1 2 395.504 -0.384 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C[C@H](C)O1 ZINC000410637786 1073774654 /nfs/dbraw/zinc/77/46/54/1073774654.db2.gz ZMPXJGRXKTYQSA-LZWOXQAQSA-N 1 2 395.504 -0.384 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C[C@H](C)O1 ZINC000410637786 1073774646 /nfs/dbraw/zinc/77/46/46/1073774646.db2.gz ZMPXJGRXKTYQSA-LZWOXQAQSA-N 1 2 395.504 -0.384 20 0 GBADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000410639809 1073777246 /nfs/dbraw/zinc/77/72/46/1073777246.db2.gz HOOSYWJIYUVBPK-CVEARBPZSA-N 1 2 375.473 -0.256 20 0 GBADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000410639812 1073778655 /nfs/dbraw/zinc/77/86/55/1073778655.db2.gz HOOSYWJIYUVBPK-HOTGVXAUSA-N 1 2 375.473 -0.256 20 0 GBADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000410639815 1073778705 /nfs/dbraw/zinc/77/87/05/1073778705.db2.gz HOOSYWJIYUVBPK-HZPDHXFCSA-N 1 2 375.473 -0.256 20 0 GBADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000410639818 1073778626 /nfs/dbraw/zinc/77/86/26/1073778626.db2.gz HOOSYWJIYUVBPK-JKSUJKDBSA-N 1 2 375.473 -0.256 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000410659868 1073786222 /nfs/dbraw/zinc/78/62/22/1073786222.db2.gz DXXQOFKOLFIMCJ-ILXRZTDVSA-N 1 2 381.477 -0.915 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000410659870 1073786073 /nfs/dbraw/zinc/78/60/73/1073786073.db2.gz DXXQOFKOLFIMCJ-KFWWJZLASA-N 1 2 381.477 -0.915 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC)C2)C[C@H]1[NH+]1CCOCC1 ZINC000410659871 1073786036 /nfs/dbraw/zinc/78/60/36/1073786036.db2.gz DXXQOFKOLFIMCJ-QLFBSQMISA-N 1 2 381.477 -0.915 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC)C2)C[C@H]1[NH+]1CCOCC1 ZINC000410659872 1073786088 /nfs/dbraw/zinc/78/60/88/1073786088.db2.gz DXXQOFKOLFIMCJ-RBSFLKMASA-N 1 2 381.477 -0.915 20 0 GBADLO Cn1cc(N2CCN(C(=O)C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)CC2=O)cn1 ZINC000410679034 1073793256 /nfs/dbraw/zinc/79/32/56/1073793256.db2.gz CBECNWPJBOXMAZ-INIZCTEOSA-N 1 2 398.423 -0.330 20 0 GBADLO Cn1cc(N2CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)CC2=O)cn1 ZINC000410679035 1073793137 /nfs/dbraw/zinc/79/31/37/1073793137.db2.gz CBECNWPJBOXMAZ-MRXNPFEDSA-N 1 2 398.423 -0.330 20 0 GBADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000410683934 1073795854 /nfs/dbraw/zinc/79/58/54/1073795854.db2.gz PFIPAMUVIJATIG-UHFFFAOYSA-N 1 2 399.455 -0.213 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN(Cc3ccon3)CC2)CC1 ZINC000410698956 1073809310 /nfs/dbraw/zinc/80/93/10/1073809310.db2.gz FLHYMVBKKPIQLQ-UHFFFAOYSA-N 1 2 393.488 -0.112 20 0 GBADLO COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000410713854 1073812619 /nfs/dbraw/zinc/81/26/19/1073812619.db2.gz KONJNFODEZNPAR-LJQANCHMSA-N 1 2 399.488 -0.406 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000410774811 1073834718 /nfs/dbraw/zinc/83/47/18/1073834718.db2.gz ILMJEWIFKFFSOM-AWEZNQCLSA-N 1 2 379.436 -0.606 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000410774813 1073834933 /nfs/dbraw/zinc/83/49/33/1073834933.db2.gz ILMJEWIFKFFSOM-CQSZACIVSA-N 1 2 379.436 -0.606 20 0 GBADLO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000410783964 1073837115 /nfs/dbraw/zinc/83/71/15/1073837115.db2.gz HAZYRBWZNAQBQF-HNNXBMFYSA-N 1 2 389.456 -0.531 20 0 GBADLO CN(Cc1cc(F)cc(F)c1)C(=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000410785220 1073836868 /nfs/dbraw/zinc/83/68/68/1073836868.db2.gz LBZBHCLDXSFQCP-HNNXBMFYSA-N 1 2 398.410 -0.432 20 0 GBADLO CN(Cc1cc(F)cc(F)c1)C(=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000410785220 1073836858 /nfs/dbraw/zinc/83/68/58/1073836858.db2.gz LBZBHCLDXSFQCP-HNNXBMFYSA-N 1 2 398.410 -0.432 20 0 GBADLO CN(Cc1cc(F)cc(F)c1)C(=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000410785225 1073836533 /nfs/dbraw/zinc/83/65/33/1073836533.db2.gz LBZBHCLDXSFQCP-OAHLLOKOSA-N 1 2 398.410 -0.432 20 0 GBADLO CN(Cc1cc(F)cc(F)c1)C(=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000410785225 1073836525 /nfs/dbraw/zinc/83/65/25/1073836525.db2.gz LBZBHCLDXSFQCP-OAHLLOKOSA-N 1 2 398.410 -0.432 20 0 GBADLO Cc1nsc(N2CCCN(C(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)CC2)n1 ZINC000410798393 1073839087 /nfs/dbraw/zinc/83/90/87/1073839087.db2.gz LSAXRFXCECDNMG-CYBMUJFWSA-N 1 2 396.517 -0.590 20 0 GBADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000410816145 1073839000 /nfs/dbraw/zinc/83/90/00/1073839000.db2.gz VAUZXXBYSADIAJ-CQSZACIVSA-N 1 2 394.476 -0.415 20 0 GBADLO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000410823026 1073840543 /nfs/dbraw/zinc/84/05/43/1073840543.db2.gz IEMOBZXPVVOVDP-OAHLLOKOSA-N 1 2 388.472 -0.097 20 0 GBADLO Cc1ccncc1N1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000410866574 1073845560 /nfs/dbraw/zinc/84/55/60/1073845560.db2.gz ZBBMCIUNXGQPNA-MRXNPFEDSA-N 1 2 375.473 -0.436 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000410883714 1073847316 /nfs/dbraw/zinc/84/73/16/1073847316.db2.gz AZHQWJLELGNUDS-AWEZNQCLSA-N 1 2 395.485 -0.730 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000410883716 1073847968 /nfs/dbraw/zinc/84/79/68/1073847968.db2.gz AZHQWJLELGNUDS-CQSZACIVSA-N 1 2 395.485 -0.730 20 0 GBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410886950 1073847830 /nfs/dbraw/zinc/84/78/30/1073847830.db2.gz GVMTUXVPIXJQMR-ZACQAIPSSA-N 1 2 384.521 -0.267 20 0 GBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410886950 1073847815 /nfs/dbraw/zinc/84/78/15/1073847815.db2.gz GVMTUXVPIXJQMR-ZACQAIPSSA-N 1 2 384.521 -0.267 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)CN2CCOCC2)CC1 ZINC000410890205 1073848545 /nfs/dbraw/zinc/84/85/45/1073848545.db2.gz PLXVYIHMDXVKCI-QGZVFWFLSA-N 1 2 384.521 -0.265 20 0 GBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000410916028 1073851015 /nfs/dbraw/zinc/85/10/15/1073851015.db2.gz PDVFJBGAKRSOSN-GJZGRUSLSA-N 1 2 396.469 -0.399 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC000410920255 1073849831 /nfs/dbraw/zinc/84/98/31/1073849831.db2.gz BOPXQYMHMSBHSE-CHWSQXEVSA-N 1 2 380.411 -0.394 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC000410920258 1073850322 /nfs/dbraw/zinc/85/03/22/1073850322.db2.gz BOPXQYMHMSBHSE-STQMWFEESA-N 1 2 380.411 -0.394 20 0 GBADLO COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000410920622 1073850368 /nfs/dbraw/zinc/85/03/68/1073850368.db2.gz PKMYVUAHBDMFJW-IBGZPJMESA-N 1 2 399.488 -0.406 20 0 GBADLO COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000410920622 1073850350 /nfs/dbraw/zinc/85/03/50/1073850350.db2.gz PKMYVUAHBDMFJW-IBGZPJMESA-N 1 2 399.488 -0.406 20 0 GBADLO COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000410920623 1073849703 /nfs/dbraw/zinc/84/97/03/1073849703.db2.gz PKMYVUAHBDMFJW-LJQANCHMSA-N 1 2 399.488 -0.406 20 0 GBADLO COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000410920623 1073849697 /nfs/dbraw/zinc/84/96/97/1073849697.db2.gz PKMYVUAHBDMFJW-LJQANCHMSA-N 1 2 399.488 -0.406 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C[C@@H]1N1CCOCC1 ZINC000410921733 1073850760 /nfs/dbraw/zinc/85/07/60/1073850760.db2.gz SNGQBWCNMCFQKP-IKGGRYGDSA-N 1 2 382.505 -0.919 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](COCC3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000410924357 1073851280 /nfs/dbraw/zinc/85/12/80/1073851280.db2.gz XZTNFPLEMKADRQ-NXHRZFHOSA-N 1 2 395.500 -0.181 20 0 GBADLO COCCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[C@@H](C)C1 ZINC000410926488 1073850847 /nfs/dbraw/zinc/85/08/47/1073850847.db2.gz IKUSYLBMUIHEBC-ZACQAIPSSA-N 1 2 385.505 -0.199 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@]3(CCOC3)C2)[C@@H](C)C1 ZINC000410935103 1073852503 /nfs/dbraw/zinc/85/25/03/1073852503.db2.gz CYGKKZMPVANIRO-KBXCAEBGSA-N 1 2 383.445 -0.900 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@]3(CCOC3)C2)[C@@H](C)C1 ZINC000410935103 1073852495 /nfs/dbraw/zinc/85/24/95/1073852495.db2.gz CYGKKZMPVANIRO-KBXCAEBGSA-N 1 2 383.445 -0.900 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)[C@@H](C)C1 ZINC000410935106 1073852535 /nfs/dbraw/zinc/85/25/35/1073852535.db2.gz CYGKKZMPVANIRO-KSSFIOAISA-N 1 2 383.445 -0.900 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)[C@@H](C)C1 ZINC000410935106 1073852527 /nfs/dbraw/zinc/85/25/27/1073852527.db2.gz CYGKKZMPVANIRO-KSSFIOAISA-N 1 2 383.445 -0.900 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)OC)C2)[C@@H](C)C1 ZINC000410935123 1073852200 /nfs/dbraw/zinc/85/22/00/1073852200.db2.gz DAPKMOYTUMNSJD-KBPBESRZSA-N 1 2 383.445 -0.506 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)OC)C2)[C@@H](C)C1 ZINC000410935123 1073852185 /nfs/dbraw/zinc/85/21/85/1073852185.db2.gz DAPKMOYTUMNSJD-KBPBESRZSA-N 1 2 383.445 -0.506 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)OC)C2)[C@H](C)C1 ZINC000410935125 1073852024 /nfs/dbraw/zinc/85/20/24/1073852024.db2.gz DAPKMOYTUMNSJD-KGLIPLIRSA-N 1 2 383.445 -0.506 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)OC)C2)[C@H](C)C1 ZINC000410935125 1073852012 /nfs/dbraw/zinc/85/20/12/1073852012.db2.gz DAPKMOYTUMNSJD-KGLIPLIRSA-N 1 2 383.445 -0.506 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)[C@H](C)C1 ZINC000410935386 1073852288 /nfs/dbraw/zinc/85/22/88/1073852288.db2.gz FEFWERLJAUNSMJ-CVEARBPZSA-N 1 2 396.488 -0.985 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)[C@H](C)C1 ZINC000410935386 1073852281 /nfs/dbraw/zinc/85/22/81/1073852281.db2.gz FEFWERLJAUNSMJ-CVEARBPZSA-N 1 2 396.488 -0.985 20 0 GBADLO COCCOC[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410935629 1073852917 /nfs/dbraw/zinc/85/29/17/1073852917.db2.gz FYMALXYPJWMNDH-JKSUJKDBSA-N 1 2 399.488 -0.406 20 0 GBADLO COCCOC[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410935629 1073852910 /nfs/dbraw/zinc/85/29/10/1073852910.db2.gz FYMALXYPJWMNDH-JKSUJKDBSA-N 1 2 399.488 -0.406 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)[C@H](C)C1 ZINC000410936498 1073851871 /nfs/dbraw/zinc/85/18/71/1073851871.db2.gz HXZJBMOFHTXLPY-CYBMUJFWSA-N 1 2 390.431 -0.509 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)[C@H](C)C1 ZINC000410936498 1073851861 /nfs/dbraw/zinc/85/18/61/1073851861.db2.gz HXZJBMOFHTXLPY-CYBMUJFWSA-N 1 2 390.431 -0.509 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)[C@@H](C)C1 ZINC000410936499 1073852677 /nfs/dbraw/zinc/85/26/77/1073852677.db2.gz HXZJBMOFHTXLPY-ZDUSSCGKSA-N 1 2 390.431 -0.509 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)[C@@H](C)C1 ZINC000410936499 1073852663 /nfs/dbraw/zinc/85/26/63/1073852663.db2.gz HXZJBMOFHTXLPY-ZDUSSCGKSA-N 1 2 390.431 -0.509 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC(C)(C)O[C@]3(CCCOC3)C2)CC1 ZINC000410937141 1073853925 /nfs/dbraw/zinc/85/39/25/1073853925.db2.gz KNBLSFJGHTYTJK-DNVCBOLYSA-N 1 2 383.489 -0.302 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN(C(=O)C(C)C)CC2)[C@H](C)C1 ZINC000410937601 1073853406 /nfs/dbraw/zinc/85/34/06/1073853406.db2.gz LFSSTRBCKTUZFJ-OAHLLOKOSA-N 1 2 396.488 -0.591 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN(C(=O)C(C)C)CC2)[C@H](C)C1 ZINC000410937601 1073853393 /nfs/dbraw/zinc/85/33/93/1073853393.db2.gz LFSSTRBCKTUZFJ-OAHLLOKOSA-N 1 2 396.488 -0.591 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)[C@H](C)C1 ZINC000410937723 1073854534 /nfs/dbraw/zinc/85/45/34/1073854534.db2.gz LODPHNCNCYNYIJ-HUUCEWRRSA-N 1 2 377.445 -0.248 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)[C@H](C)C1 ZINC000410937723 1073854527 /nfs/dbraw/zinc/85/45/27/1073854527.db2.gz LODPHNCNCYNYIJ-HUUCEWRRSA-N 1 2 377.445 -0.248 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CCN1CC(C)(C)O ZINC000410938619 1073853877 /nfs/dbraw/zinc/85/38/77/1073853877.db2.gz OXUIMBIZNCNBNV-HZPDHXFCSA-N 1 2 398.548 -0.406 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CCN1CC(C)(C)O ZINC000410938619 1073853867 /nfs/dbraw/zinc/85/38/67/1073853867.db2.gz OXUIMBIZNCNBNV-HZPDHXFCSA-N 1 2 398.548 -0.406 20 0 GBADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000410938620 1073854208 /nfs/dbraw/zinc/85/42/08/1073854208.db2.gz OXUIMBIZNCNBNV-JKSUJKDBSA-N 1 2 398.548 -0.406 20 0 GBADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000410938620 1073854203 /nfs/dbraw/zinc/85/42/03/1073854203.db2.gz OXUIMBIZNCNBNV-JKSUJKDBSA-N 1 2 398.548 -0.406 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000410938818 1073853909 /nfs/dbraw/zinc/85/39/09/1073853909.db2.gz PNZACPGIBVUEEQ-AWEZNQCLSA-N 1 2 397.472 -0.116 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000410938818 1073853897 /nfs/dbraw/zinc/85/38/97/1073853897.db2.gz PNZACPGIBVUEEQ-AWEZNQCLSA-N 1 2 397.472 -0.116 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)CC(=O)NC(C)(C)C)[C@@H](C)C1 ZINC000410939130 1073853701 /nfs/dbraw/zinc/85/37/01/1073853701.db2.gz RBIOWQYEMJVOEP-ZDUSSCGKSA-N 1 2 384.477 -0.545 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)CC(=O)NC(C)(C)C)[C@@H](C)C1 ZINC000410939130 1073853692 /nfs/dbraw/zinc/85/36/92/1073853692.db2.gz RBIOWQYEMJVOEP-ZDUSSCGKSA-N 1 2 384.477 -0.545 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)[C@H](C)C1 ZINC000410939138 1073853495 /nfs/dbraw/zinc/85/34/95/1073853495.db2.gz REKWCYLTCDIUQB-GHMZBOCLSA-N 1 2 383.367 -0.536 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)[C@H](C)C1 ZINC000410939138 1073853484 /nfs/dbraw/zinc/85/34/84/1073853484.db2.gz REKWCYLTCDIUQB-GHMZBOCLSA-N 1 2 383.367 -0.536 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)[C@H](C)C1 ZINC000410939139 1073853808 /nfs/dbraw/zinc/85/38/08/1073853808.db2.gz REKWCYLTCDIUQB-MNOVXSKESA-N 1 2 383.367 -0.536 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)[C@H](C)C1 ZINC000410939139 1073853796 /nfs/dbraw/zinc/85/37/96/1073853796.db2.gz REKWCYLTCDIUQB-MNOVXSKESA-N 1 2 383.367 -0.536 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)[C@@H](C)C1 ZINC000410939140 1073854160 /nfs/dbraw/zinc/85/41/60/1073854160.db2.gz REKWCYLTCDIUQB-QWRGUYRKSA-N 1 2 383.367 -0.536 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)[C@@H](C)C1 ZINC000410939140 1073854151 /nfs/dbraw/zinc/85/41/51/1073854151.db2.gz REKWCYLTCDIUQB-QWRGUYRKSA-N 1 2 383.367 -0.536 20 0 GBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000410939146 1073854441 /nfs/dbraw/zinc/85/44/41/1073854441.db2.gz RFIYNZMDAUODND-ACJLOTCBSA-N 1 2 382.461 -0.933 20 0 GBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000410939146 1073854430 /nfs/dbraw/zinc/85/44/30/1073854430.db2.gz RFIYNZMDAUODND-ACJLOTCBSA-N 1 2 382.461 -0.933 20 0 GBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000410939147 1073853615 /nfs/dbraw/zinc/85/36/15/1073853615.db2.gz RFIYNZMDAUODND-FZKQIMNGSA-N 1 2 382.461 -0.933 20 0 GBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000410939147 1073853603 /nfs/dbraw/zinc/85/36/03/1073853603.db2.gz RFIYNZMDAUODND-FZKQIMNGSA-N 1 2 382.461 -0.933 20 0 GBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939148 1073854236 /nfs/dbraw/zinc/85/42/36/1073854236.db2.gz RFIYNZMDAUODND-SCLBCKFNSA-N 1 2 382.461 -0.933 20 0 GBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939148 1073854231 /nfs/dbraw/zinc/85/42/31/1073854231.db2.gz RFIYNZMDAUODND-SCLBCKFNSA-N 1 2 382.461 -0.933 20 0 GBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939149 1073853541 /nfs/dbraw/zinc/85/35/41/1073853541.db2.gz RFIYNZMDAUODND-UGSOOPFHSA-N 1 2 382.461 -0.933 20 0 GBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939149 1073853534 /nfs/dbraw/zinc/85/35/34/1073853534.db2.gz RFIYNZMDAUODND-UGSOOPFHSA-N 1 2 382.461 -0.933 20 0 GBADLO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410939234 1073854096 /nfs/dbraw/zinc/85/40/96/1073854096.db2.gz RWDWTGSDDRBIHQ-IAGOWNOFSA-N 1 2 396.532 -0.529 20 0 GBADLO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410939235 1073853741 /nfs/dbraw/zinc/85/37/41/1073853741.db2.gz RWDWTGSDDRBIHQ-IRXDYDNUSA-N 1 2 396.532 -0.529 20 0 GBADLO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410939236 1073854586 /nfs/dbraw/zinc/85/45/86/1073854586.db2.gz RWDWTGSDDRBIHQ-SJORKVTESA-N 1 2 396.532 -0.529 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939276 1073853467 /nfs/dbraw/zinc/85/34/67/1073853467.db2.gz SJAPKLUUINTVJJ-GJZGRUSLSA-N 1 2 397.472 -0.116 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939276 1073853458 /nfs/dbraw/zinc/85/34/58/1073853458.db2.gz SJAPKLUUINTVJJ-GJZGRUSLSA-N 1 2 397.472 -0.116 20 0 GBADLO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939480 1073855237 /nfs/dbraw/zinc/85/52/37/1073855237.db2.gz URICOWSZROJQKX-GJZGRUSLSA-N 1 2 396.488 -0.401 20 0 GBADLO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000410939480 1073855225 /nfs/dbraw/zinc/85/52/25/1073855225.db2.gz URICOWSZROJQKX-GJZGRUSLSA-N 1 2 396.488 -0.401 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)[C@H](C)C1 ZINC000410939540 1073855282 /nfs/dbraw/zinc/85/52/82/1073855282.db2.gz UZZOQCJODHUXGU-ABAIWWIYSA-N 1 2 395.378 -0.392 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)[C@H](C)C1 ZINC000410939540 1073855272 /nfs/dbraw/zinc/85/52/72/1073855272.db2.gz UZZOQCJODHUXGU-ABAIWWIYSA-N 1 2 395.378 -0.392 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC(CCC(N)=O)CC2)[C@@H](C)C1 ZINC000410939650 1073855480 /nfs/dbraw/zinc/85/54/80/1073855480.db2.gz VWAHOOAYYJJNIB-AWEZNQCLSA-N 1 2 396.488 -0.414 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC(CCC(N)=O)CC2)[C@@H](C)C1 ZINC000410939650 1073855473 /nfs/dbraw/zinc/85/54/73/1073855473.db2.gz VWAHOOAYYJJNIB-AWEZNQCLSA-N 1 2 396.488 -0.414 20 0 GBADLO COCCN1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1=O ZINC000410939732 1073855443 /nfs/dbraw/zinc/85/54/43/1073855443.db2.gz WJSWPDBRGZULQH-JKSUJKDBSA-N 1 2 391.472 0.000 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)OC)C2)[C@H](C)C1 ZINC000410939837 1073855177 /nfs/dbraw/zinc/85/51/77/1073855177.db2.gz WYPHOSQPCJDQEH-ACJLOTCBSA-N 1 2 383.445 -0.506 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)OC)C2)[C@H](C)C1 ZINC000410939837 1073855161 /nfs/dbraw/zinc/85/51/61/1073855161.db2.gz WYPHOSQPCJDQEH-ACJLOTCBSA-N 1 2 383.445 -0.506 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)OC)C2)[C@H](C)C1 ZINC000410939838 1073855040 /nfs/dbraw/zinc/85/50/40/1073855040.db2.gz WYPHOSQPCJDQEH-FZKQIMNGSA-N 1 2 383.445 -0.506 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)OC)C2)[C@H](C)C1 ZINC000410939838 1073855030 /nfs/dbraw/zinc/85/50/30/1073855030.db2.gz WYPHOSQPCJDQEH-FZKQIMNGSA-N 1 2 383.445 -0.506 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)OC)C2)[C@@H](C)C1 ZINC000410939839 1073855324 /nfs/dbraw/zinc/85/53/24/1073855324.db2.gz WYPHOSQPCJDQEH-SCLBCKFNSA-N 1 2 383.445 -0.506 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)OC)C2)[C@@H](C)C1 ZINC000410939839 1073855312 /nfs/dbraw/zinc/85/53/12/1073855312.db2.gz WYPHOSQPCJDQEH-SCLBCKFNSA-N 1 2 383.445 -0.506 20 0 GBADLO COCCN1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000410939882 1073855012 /nfs/dbraw/zinc/85/50/12/1073855012.db2.gz XFIQJHIFULKNQY-UHFFFAOYSA-N 1 2 389.456 -0.563 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCOC3(CCOCC3)C2)[C@@H](C)C1 ZINC000410940007 1073855594 /nfs/dbraw/zinc/85/55/94/1073855594.db2.gz YCTODIKEBNDBKF-HNNXBMFYSA-N 1 2 397.472 -0.510 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCOC3(CCOCC3)C2)[C@@H](C)C1 ZINC000410940007 1073855584 /nfs/dbraw/zinc/85/55/84/1073855584.db2.gz YCTODIKEBNDBKF-HNNXBMFYSA-N 1 2 397.472 -0.510 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCOC3(CCOCC3)C2)[C@H](C)C1 ZINC000410940008 1073856009 /nfs/dbraw/zinc/85/60/09/1073856009.db2.gz YCTODIKEBNDBKF-OAHLLOKOSA-N 1 2 397.472 -0.510 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCOC3(CCOCC3)C2)[C@H](C)C1 ZINC000410940008 1073856004 /nfs/dbraw/zinc/85/60/04/1073856004.db2.gz YCTODIKEBNDBKF-OAHLLOKOSA-N 1 2 397.472 -0.510 20 0 GBADLO CC(=O)N(C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1)C1CC1 ZINC000410948123 1073857155 /nfs/dbraw/zinc/85/71/55/1073857155.db2.gz SOCSWUGOGNJNQR-PBHICJAKSA-N 1 2 380.489 -0.487 20 0 GBADLO CCN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C[C@H]1c1ncc[nH]1 ZINC000410952068 1073856475 /nfs/dbraw/zinc/85/64/75/1073856475.db2.gz HQWGPRZTKROUQI-CABCVRRESA-N 1 2 378.477 -0.860 20 0 GBADLO C[C@@H](O)CN1CCN(C(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000410952276 1073856722 /nfs/dbraw/zinc/85/67/22/1073856722.db2.gz BOPBBGSGTYFRCI-WBVHZDCISA-N 1 2 382.505 -0.919 20 0 GBADLO C[C@@H](O)CN1CCN(C(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000410952276 1073856716 /nfs/dbraw/zinc/85/67/16/1073856716.db2.gz BOPBBGSGTYFRCI-WBVHZDCISA-N 1 2 382.505 -0.919 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CCSC[C@@H]3CCO)CC2)cc[nH+]1 ZINC000410953074 1073856802 /nfs/dbraw/zinc/85/68/02/1073856802.db2.gz CTRXRVHDUWLWIU-AWEZNQCLSA-N 1 2 379.486 -0.240 20 0 GBADLO COc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)CC2)ncn1 ZINC000410957243 1073856256 /nfs/dbraw/zinc/85/62/56/1073856256.db2.gz NJMODCCBVJBSEO-CQSZACIVSA-N 1 2 399.455 -0.117 20 0 GBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000410957310 1073856537 /nfs/dbraw/zinc/85/65/37/1073856537.db2.gz NQHSBTUALXRMGY-CABCVRRESA-N 1 2 381.477 -0.915 20 0 GBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000410957310 1073856532 /nfs/dbraw/zinc/85/65/32/1073856532.db2.gz NQHSBTUALXRMGY-CABCVRRESA-N 1 2 381.477 -0.915 20 0 GBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000410957313 1073856906 /nfs/dbraw/zinc/85/69/06/1073856906.db2.gz NQHSBTUALXRMGY-HUUCEWRRSA-N 1 2 381.477 -0.915 20 0 GBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000410957313 1073856893 /nfs/dbraw/zinc/85/68/93/1073856893.db2.gz NQHSBTUALXRMGY-HUUCEWRRSA-N 1 2 381.477 -0.915 20 0 GBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000410959986 1073858476 /nfs/dbraw/zinc/85/84/76/1073858476.db2.gz VOVIVRPJIWYKRH-JXFKEZNVSA-N 1 2 392.500 -0.316 20 0 GBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000410959986 1073858463 /nfs/dbraw/zinc/85/84/63/1073858463.db2.gz VOVIVRPJIWYKRH-JXFKEZNVSA-N 1 2 392.500 -0.316 20 0 GBADLO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000410969972 1073857912 /nfs/dbraw/zinc/85/79/12/1073857912.db2.gz JAJOYGDDLKBHHP-CABCVRRESA-N 1 2 391.472 -0.168 20 0 GBADLO CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000410969977 1073857971 /nfs/dbraw/zinc/85/79/71/1073857971.db2.gz JAJOYGDDLKBHHP-GJZGRUSLSA-N 1 2 391.472 -0.168 20 0 GBADLO CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000410969984 1073857895 /nfs/dbraw/zinc/85/78/95/1073857895.db2.gz JAJOYGDDLKBHHP-LSDHHAIUSA-N 1 2 391.472 -0.168 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000410995075 1073861351 /nfs/dbraw/zinc/86/13/51/1073861351.db2.gz GAOMJUSVQKYNLJ-UHFFFAOYSA-N 1 2 380.367 -0.642 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](c3nc(N(C)C)no3)C2)CC1 ZINC000410995878 1073861279 /nfs/dbraw/zinc/86/12/79/1073861279.db2.gz HHMBBZVFNBVBNU-UONOGXRCSA-N 1 2 394.476 -0.633 20 0 GBADLO CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000411003801 1073861259 /nfs/dbraw/zinc/86/12/59/1073861259.db2.gz AXTNSPBOMCKELI-BEFAXECRSA-N 1 2 383.489 -0.051 20 0 GBADLO CCn1nccc1CN(CCO)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411006700 1073861638 /nfs/dbraw/zinc/86/16/38/1073861638.db2.gz DWEQSHKEBQWDFR-UHFFFAOYSA-N 1 2 386.456 -0.032 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000411010753 1073862403 /nfs/dbraw/zinc/86/24/03/1073862403.db2.gz BRJMSKSBXQAUEU-UHFFFAOYSA-N 1 2 394.394 -0.254 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000411010753 1073862400 /nfs/dbraw/zinc/86/24/00/1073862400.db2.gz BRJMSKSBXQAUEU-UHFFFAOYSA-N 1 2 394.394 -0.254 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N(CCO)Cc2ccnn2CC)CC1 ZINC000411011027 1073862530 /nfs/dbraw/zinc/86/25/30/1073862530.db2.gz LKTWSZYNRSDFBU-UHFFFAOYSA-N 1 2 381.477 -0.595 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000411017585 1073862320 /nfs/dbraw/zinc/86/23/20/1073862320.db2.gz KMSPOFNLXWZATE-UHFFFAOYSA-N 1 2 394.394 -0.254 20 0 GBADLO CCOC(=O)[C@H](CC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000411383525 1073877914 /nfs/dbraw/zinc/87/79/14/1073877914.db2.gz GLOMHURMGPZXHO-CQSZACIVSA-N 1 2 390.506 -0.788 20 0 GBADLO COCC(C)(C)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000411392750 530208663 /nfs/dbraw/zinc/20/86/63/530208663.db2.gz RPDLAVAUGWBGCG-UHFFFAOYSA-N 1 2 376.523 -0.315 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cncc(C(=O)OC)c2)[C@@H](C)C1 ZINC000411419061 1073879707 /nfs/dbraw/zinc/87/97/07/1073879707.db2.gz GIWIDNJCYIAHPE-LBPRGKRZSA-N 1 2 392.412 -0.098 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cncc(C(=O)OC)c2)[C@@H](C)C1 ZINC000411419061 1073879692 /nfs/dbraw/zinc/87/96/92/1073879692.db2.gz GIWIDNJCYIAHPE-LBPRGKRZSA-N 1 2 392.412 -0.098 20 0 GBADLO COC(=O)C[C@]1([NH2+]CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CCOC1 ZINC000411537131 1073889337 /nfs/dbraw/zinc/88/93/37/1073889337.db2.gz CLLASGXFUBMWKW-GOSISDBHSA-N 1 2 396.444 -0.720 20 0 GBADLO COC(=O)C[C@@]1([NH2+]CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CCOC1 ZINC000411537132 1073888859 /nfs/dbraw/zinc/88/88/59/1073888859.db2.gz CLLASGXFUBMWKW-SFHVURJKSA-N 1 2 396.444 -0.720 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@](O)(CO)C3)c2)CC1 ZINC000411608683 1073892633 /nfs/dbraw/zinc/89/26/33/1073892633.db2.gz FJIDTIPQHILZDB-FQEVSTJZSA-N 1 2 390.484 -0.282 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000411621269 530208818 /nfs/dbraw/zinc/20/88/18/530208818.db2.gz DVDISFRSIQIBKH-CABCVRRESA-N 1 2 377.507 -0.346 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000411621269 530208815 /nfs/dbraw/zinc/20/88/15/530208815.db2.gz DVDISFRSIQIBKH-CABCVRRESA-N 1 2 377.507 -0.346 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000411621277 530209068 /nfs/dbraw/zinc/20/90/68/530209068.db2.gz DVDISFRSIQIBKH-GJZGRUSLSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000411621277 530209066 /nfs/dbraw/zinc/20/90/66/530209066.db2.gz DVDISFRSIQIBKH-GJZGRUSLSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000411621279 530208810 /nfs/dbraw/zinc/20/88/10/530208810.db2.gz DVDISFRSIQIBKH-HUUCEWRRSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000411621279 530208809 /nfs/dbraw/zinc/20/88/09/530208809.db2.gz DVDISFRSIQIBKH-HUUCEWRRSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000411621281 530209158 /nfs/dbraw/zinc/20/91/58/530209158.db2.gz DVDISFRSIQIBKH-LSDHHAIUSA-N 1 2 377.507 -0.346 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000411621281 530209156 /nfs/dbraw/zinc/20/91/56/530209156.db2.gz DVDISFRSIQIBKH-LSDHHAIUSA-N 1 2 377.507 -0.346 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](CCNS(C)(=O)=O)C2CC2)C1 ZINC000411677286 530209256 /nfs/dbraw/zinc/20/92/56/530209256.db2.gz RMNCDVNWRLZXJO-CYBMUJFWSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](CCNS(C)(=O)=O)C2CC2)C1 ZINC000411677286 530209254 /nfs/dbraw/zinc/20/92/54/530209254.db2.gz RMNCDVNWRLZXJO-CYBMUJFWSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](CCNS(C)(=O)=O)C2CC2)C1 ZINC000411677293 530209182 /nfs/dbraw/zinc/20/91/82/530209182.db2.gz RMNCDVNWRLZXJO-ZDUSSCGKSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](CCNS(C)(=O)=O)C2CC2)C1 ZINC000411677293 530209180 /nfs/dbraw/zinc/20/91/80/530209180.db2.gz RMNCDVNWRLZXJO-ZDUSSCGKSA-N 1 2 375.491 -0.198 20 0 GBADLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411747855 530209513 /nfs/dbraw/zinc/20/95/13/530209513.db2.gz LIGIKQOBCYEBNB-CYBMUJFWSA-N 1 2 377.511 -0.329 20 0 GBADLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411747855 530209510 /nfs/dbraw/zinc/20/95/10/530209510.db2.gz LIGIKQOBCYEBNB-CYBMUJFWSA-N 1 2 377.511 -0.329 20 0 GBADLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411747859 530209360 /nfs/dbraw/zinc/20/93/60/530209360.db2.gz LIGIKQOBCYEBNB-ZDUSSCGKSA-N 1 2 377.511 -0.329 20 0 GBADLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411747859 530209358 /nfs/dbraw/zinc/20/93/58/530209358.db2.gz LIGIKQOBCYEBNB-ZDUSSCGKSA-N 1 2 377.511 -0.329 20 0 GBADLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411750683 530209429 /nfs/dbraw/zinc/20/94/29/530209429.db2.gz ZBKNFNKNYQXDHT-GFCCVEGCSA-N 1 2 377.511 -0.187 20 0 GBADLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411750683 530209427 /nfs/dbraw/zinc/20/94/27/530209427.db2.gz ZBKNFNKNYQXDHT-GFCCVEGCSA-N 1 2 377.511 -0.187 20 0 GBADLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411750686 530209237 /nfs/dbraw/zinc/20/92/37/530209237.db2.gz ZBKNFNKNYQXDHT-LBPRGKRZSA-N 1 2 377.511 -0.187 20 0 GBADLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000411750686 530209234 /nfs/dbraw/zinc/20/92/34/530209234.db2.gz ZBKNFNKNYQXDHT-LBPRGKRZSA-N 1 2 377.511 -0.187 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@](C)(C(=O)OC)C2)c(=O)[nH]c1=O ZINC000412065145 1073903097 /nfs/dbraw/zinc/90/30/97/1073903097.db2.gz KHMJFSVXPFDTKB-QGZVFWFLSA-N 1 2 382.417 -0.365 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)c(=O)[nH]c1=O ZINC000412065145 1073903089 /nfs/dbraw/zinc/90/30/89/1073903089.db2.gz KHMJFSVXPFDTKB-QGZVFWFLSA-N 1 2 382.417 -0.365 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000412355351 1073909213 /nfs/dbraw/zinc/90/92/13/1073909213.db2.gz LIFVPXWGHTYXCN-KFWWJZLASA-N 1 2 377.441 -0.061 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000412355351 1073909206 /nfs/dbraw/zinc/90/92/06/1073909206.db2.gz LIFVPXWGHTYXCN-KFWWJZLASA-N 1 2 377.441 -0.061 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000412363023 1073909343 /nfs/dbraw/zinc/90/93/43/1073909343.db2.gz IXGSAQCRTJESCD-CYBMUJFWSA-N 1 2 380.445 -0.148 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000412363023 1073909337 /nfs/dbraw/zinc/90/93/37/1073909337.db2.gz IXGSAQCRTJESCD-CYBMUJFWSA-N 1 2 380.445 -0.148 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000412440231 530209797 /nfs/dbraw/zinc/20/97/97/530209797.db2.gz ZVCUBFQHFQRLKO-AWEZNQCLSA-N 1 2 379.523 -0.244 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000412440232 530209908 /nfs/dbraw/zinc/20/99/08/530209908.db2.gz ZVCUBFQHFQRLKO-CQSZACIVSA-N 1 2 379.523 -0.244 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000413407958 1072498073 /nfs/dbraw/zinc/49/80/73/1072498073.db2.gz RJARCBLEZHQGPK-UHFFFAOYSA-N 1 2 385.490 -0.230 20 0 GBADLO COCCNc1nc(N2CCO[C@H](CF)C2)[nH+]c(N2CCO[C@H](CF)C2)n1 ZINC000413476238 1072346469 /nfs/dbraw/zinc/34/64/69/1072346469.db2.gz OQTKZALCKGMPAG-CHWSQXEVSA-N 1 2 388.419 -0.299 20 0 GBADLO COCCNc1nc(N2CCO[C@H](CF)C2)nc(N2CCO[C@H](CF)C2)[nH+]1 ZINC000413476238 1072346462 /nfs/dbraw/zinc/34/64/62/1072346462.db2.gz OQTKZALCKGMPAG-CHWSQXEVSA-N 1 2 388.419 -0.299 20 0 GBADLO COCCNc1nc(N2CCO[C@@H](CF)C2)[nH+]c(N2CCO[C@@H](CF)C2)n1 ZINC000413476241 1072346564 /nfs/dbraw/zinc/34/65/64/1072346564.db2.gz OQTKZALCKGMPAG-STQMWFEESA-N 1 2 388.419 -0.299 20 0 GBADLO COCCNc1nc(N2CCO[C@@H](CF)C2)nc(N2CCO[C@@H](CF)C2)[nH+]1 ZINC000413476241 1072346553 /nfs/dbraw/zinc/34/65/53/1072346553.db2.gz OQTKZALCKGMPAG-STQMWFEESA-N 1 2 388.419 -0.299 20 0 GBADLO CC(C)Nc1nc(N2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)nc(NCCO)[nH+]1 ZINC000413509537 1072377797 /nfs/dbraw/zinc/37/77/97/1072377797.db2.gz GYYKEYYKDFCVDY-CABCVRRESA-N 1 2 385.472 -0.355 20 0 GBADLO CC(C)Nc1nc(N2CC[C@@](C(N)=O)(c3ccccc3)C2)nc(NCCO)[nH+]1 ZINC000413513083 1072381700 /nfs/dbraw/zinc/38/17/00/1072381700.db2.gz IIDBLDHHULMXIC-IBGZPJMESA-N 1 2 385.472 -0.427 20 0 GBADLO CC(C)Nc1nc(N2CC[C@](C(N)=O)(c3ccccc3)C2)nc(NCCO)[nH+]1 ZINC000413513084 1072382196 /nfs/dbraw/zinc/38/21/96/1072382196.db2.gz IIDBLDHHULMXIC-LJQANCHMSA-N 1 2 385.472 -0.427 20 0 GBADLO CC(C)Nc1nc(N2CCC[C@H](N3CCCC3=O)CC2)nc(NCCO)[nH+]1 ZINC000413565604 1072590490 /nfs/dbraw/zinc/59/04/90/1072590490.db2.gz HNCCMADDAINCKY-AWEZNQCLSA-N 1 2 377.493 -0.079 20 0 GBADLO CC(C)Nc1nc(N2CCC[C@@H](N3CCCC3=O)CC2)nc(NCCO)[nH+]1 ZINC000413565607 1072590911 /nfs/dbraw/zinc/59/09/11/1072590911.db2.gz HNCCMADDAINCKY-CQSZACIVSA-N 1 2 377.493 -0.079 20 0 GBADLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCC3(CCC3)S(=O)(=O)CC2)n1 ZINC000413566845 1072592568 /nfs/dbraw/zinc/59/25/68/1072592568.db2.gz XMGASGBOUJGOMD-UHFFFAOYSA-N 1 2 384.506 -0.513 20 0 GBADLO CCS(=O)(=O)CCCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000413573198 530176686 /nfs/dbraw/zinc/17/66/86/530176686.db2.gz LXVTYJXYYXXPSB-UHFFFAOYSA-N 1 2 390.531 0.254 20 0 GBADLO COCCNc1nc(N2C[C@H](O)C[C@H](C)C2)[nH+]c(N2C[C@H](O)C[C@H](C)C2)n1 ZINC000413577531 1072631502 /nfs/dbraw/zinc/63/15/02/1072631502.db2.gz JGOGSIJYWWMTNF-BYNSBNAKSA-N 1 2 380.493 -0.234 20 0 GBADLO COCC[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000413625933 1072797229 /nfs/dbraw/zinc/79/72/29/1072797229.db2.gz PDEXIAFCWSYNDH-HNNXBMFYSA-N 1 2 391.538 -0.522 20 0 GBADLO COCC[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000413625937 1072796717 /nfs/dbraw/zinc/79/67/17/1072796717.db2.gz PDEXIAFCWSYNDH-OAHLLOKOSA-N 1 2 391.538 -0.522 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CCC2)CC[N@@H+](C)C1 ZINC000413855694 530212360 /nfs/dbraw/zinc/21/23/60/530212360.db2.gz GDHQJPUZISFAMR-CYBMUJFWSA-N 1 2 375.491 -0.053 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CCC2)CC[N@H+](C)C1 ZINC000413855694 530212357 /nfs/dbraw/zinc/21/23/57/530212357.db2.gz GDHQJPUZISFAMR-CYBMUJFWSA-N 1 2 375.491 -0.053 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CCC2)CC[N@@H+](C)C1 ZINC000413855697 530212343 /nfs/dbraw/zinc/21/23/43/530212343.db2.gz GDHQJPUZISFAMR-ZDUSSCGKSA-N 1 2 375.491 -0.053 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CCC2)CC[N@H+](C)C1 ZINC000413855697 530212342 /nfs/dbraw/zinc/21/23/42/530212342.db2.gz GDHQJPUZISFAMR-ZDUSSCGKSA-N 1 2 375.491 -0.053 20 0 GBADLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413882101 530212669 /nfs/dbraw/zinc/21/26/69/530212669.db2.gz QEFZDERRUSOTRR-DZGCQCFKSA-N 1 2 379.523 -0.244 20 0 GBADLO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413882102 530212281 /nfs/dbraw/zinc/21/22/81/530212281.db2.gz QEFZDERRUSOTRR-HIFRSBDPSA-N 1 2 379.523 -0.244 20 0 GBADLO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413882103 530212430 /nfs/dbraw/zinc/21/24/30/530212430.db2.gz QEFZDERRUSOTRR-UKRRQHHQSA-N 1 2 379.523 -0.244 20 0 GBADLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413882104 530212496 /nfs/dbraw/zinc/21/24/96/530212496.db2.gz QEFZDERRUSOTRR-ZFWWWQNUSA-N 1 2 379.523 -0.244 20 0 GBADLO CNS(=O)(=O)c1csc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC000413902861 530212650 /nfs/dbraw/zinc/21/26/50/530212650.db2.gz NZLBGFLBLAKBQM-JTQLQIEISA-N 1 2 375.472 -0.167 20 0 GBADLO CNS(=O)(=O)c1csc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC000413902861 530212648 /nfs/dbraw/zinc/21/26/48/530212648.db2.gz NZLBGFLBLAKBQM-JTQLQIEISA-N 1 2 375.472 -0.167 20 0 GBADLO CNS(=O)(=O)c1csc(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC000413902869 530212516 /nfs/dbraw/zinc/21/25/16/530212516.db2.gz NZLBGFLBLAKBQM-SNVBAGLBSA-N 1 2 375.472 -0.167 20 0 GBADLO CNS(=O)(=O)c1csc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC000413902869 530212514 /nfs/dbraw/zinc/21/25/14/530212514.db2.gz NZLBGFLBLAKBQM-SNVBAGLBSA-N 1 2 375.472 -0.167 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)CC[N@@H+](C)C1 ZINC000413906917 1072869643 /nfs/dbraw/zinc/86/96/43/1072869643.db2.gz SGFDHRAMOFCGAP-GFCCVEGCSA-N 1 2 399.469 -0.181 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)CC[N@H+](C)C1 ZINC000413906917 1072869634 /nfs/dbraw/zinc/86/96/34/1072869634.db2.gz SGFDHRAMOFCGAP-GFCCVEGCSA-N 1 2 399.469 -0.181 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)CC[N@@H+](C)C1 ZINC000413906922 1072870344 /nfs/dbraw/zinc/87/03/44/1072870344.db2.gz SGFDHRAMOFCGAP-LBPRGKRZSA-N 1 2 399.469 -0.181 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)CC[N@H+](C)C1 ZINC000413906922 1072870327 /nfs/dbraw/zinc/87/03/27/1072870327.db2.gz SGFDHRAMOFCGAP-LBPRGKRZSA-N 1 2 399.469 -0.181 20 0 GBADLO Cn1c2c(ccn2CC(=O)NC(C)(C)C[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000413956693 1072885012 /nfs/dbraw/zinc/88/50/12/1072885012.db2.gz NBVAHPXCGDYJLW-UHFFFAOYSA-N 1 2 377.445 -0.734 20 0 GBADLO Cc1c(C(=O)NC(C)(C)C[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000413957457 1072885556 /nfs/dbraw/zinc/88/55/56/1072885556.db2.gz OZPWZHIKNYIAMB-UHFFFAOYSA-N 1 2 389.456 -0.219 20 0 GBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000413963932 1072888035 /nfs/dbraw/zinc/88/80/35/1072888035.db2.gz DDFXJZGPFGHLFB-UHFFFAOYSA-N 1 2 388.490 -0.220 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000413966305 1072887490 /nfs/dbraw/zinc/88/74/90/1072887490.db2.gz KQACVEKCJRGORH-INIZCTEOSA-N 1 2 382.505 -0.606 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000413966308 1072887691 /nfs/dbraw/zinc/88/76/91/1072887691.db2.gz KQACVEKCJRGORH-MRXNPFEDSA-N 1 2 382.505 -0.606 20 0 GBADLO CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000414040815 1072905367 /nfs/dbraw/zinc/90/53/67/1072905367.db2.gz ZGUXJCWKZFDIBE-CVEARBPZSA-N 1 2 380.489 -0.317 20 0 GBADLO CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000414040818 1072905083 /nfs/dbraw/zinc/90/50/83/1072905083.db2.gz ZGUXJCWKZFDIBE-HOTGVXAUSA-N 1 2 380.489 -0.317 20 0 GBADLO CC(C)N(C[C@H]1CCC(=O)N1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000414040820 1072905612 /nfs/dbraw/zinc/90/56/12/1072905612.db2.gz ZGUXJCWKZFDIBE-HZPDHXFCSA-N 1 2 380.489 -0.317 20 0 GBADLO CC(C)N(C[C@H]1CCC(=O)N1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000414040822 1072905116 /nfs/dbraw/zinc/90/51/16/1072905116.db2.gz ZGUXJCWKZFDIBE-JKSUJKDBSA-N 1 2 380.489 -0.317 20 0 GBADLO CN(C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)C(C)(C)C[NH+]1CCOCC1 ZINC000414040996 1072904750 /nfs/dbraw/zinc/90/47/50/1072904750.db2.gz LQFYAMQUJVWDJA-JKSUJKDBSA-N 1 2 383.489 -0.038 20 0 GBADLO CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(C)(C)C[NH+]1CCOCC1 ZINC000414055058 1072909660 /nfs/dbraw/zinc/90/96/60/1072909660.db2.gz WLNWZWRSBBILDW-UHFFFAOYSA-N 1 2 389.456 -0.185 20 0 GBADLO CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(C)(C)C[NH+]1CCOCC1 ZINC000414056249 1072908737 /nfs/dbraw/zinc/90/87/37/1072908737.db2.gz YVQSAJOMRVGEQS-UHFFFAOYSA-N 1 2 389.456 -0.185 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)Nc2nc3nc(C)cc(C)n3n2)CC1 ZINC000414396198 1073004130 /nfs/dbraw/zinc/00/41/30/1073004130.db2.gz FNGQVSIRUWDAOM-UHFFFAOYSA-N 1 2 377.449 0.552 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)cs1 ZINC000414467679 530221261 /nfs/dbraw/zinc/22/12/61/530221261.db2.gz IYPPCHZZOPXCSR-UHFFFAOYSA-N 1 2 391.471 -0.739 20 0 GBADLO O=C(CNS(=O)(=O)c1cc(F)c(F)c(F)c1)NCC[NH+]1CCOCC1 ZINC000414469848 530221352 /nfs/dbraw/zinc/22/13/52/530221352.db2.gz NGLGZVDYWAJYAW-UHFFFAOYSA-N 1 2 381.376 -0.169 20 0 GBADLO Cc1cc(F)c(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1F ZINC000414470414 530221403 /nfs/dbraw/zinc/22/14/03/530221403.db2.gz OOBCWNCRVRIHNQ-UHFFFAOYSA-N 1 2 377.413 0.000 20 0 GBADLO COc1cc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)ccc1F ZINC000414470690 530221628 /nfs/dbraw/zinc/22/16/28/530221628.db2.gz PECULQRCDRSACR-UHFFFAOYSA-N 1 2 375.422 -0.439 20 0 GBADLO O=C(CNS(=O)(=O)Cc1c(F)cccc1F)NCC[NH+]1CCOCC1 ZINC000414470724 530221624 /nfs/dbraw/zinc/22/16/24/530221624.db2.gz PMJBLEIMLRHXMH-UHFFFAOYSA-N 1 2 377.413 -0.167 20 0 GBADLO Cc1cc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)c(F)cc1F ZINC000414470999 530221658 /nfs/dbraw/zinc/22/16/58/530221658.db2.gz PUWQTNKCWQSGFF-UHFFFAOYSA-N 1 2 377.413 0.000 20 0 GBADLO COc1ccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)c(F)c1 ZINC000414472615 530222047 /nfs/dbraw/zinc/22/20/47/530222047.db2.gz STZWMWDXXLNGBA-UHFFFAOYSA-N 1 2 375.422 -0.439 20 0 GBADLO COC(=O)c1csc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000414472906 530221823 /nfs/dbraw/zinc/22/18/23/530221823.db2.gz UKUHRXWLLJLDEJ-UHFFFAOYSA-N 1 2 391.471 -0.739 20 0 GBADLO COC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)s1 ZINC000414475126 530222076 /nfs/dbraw/zinc/22/20/76/530222076.db2.gz XGKFMCLQNHLKMJ-UHFFFAOYSA-N 1 2 391.471 -0.739 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)CC1 ZINC000414565433 1072346505 /nfs/dbraw/zinc/34/65/05/1072346505.db2.gz CFFLFFWVPKGRDT-SJORKVTESA-N 1 2 388.468 -0.496 20 0 GBADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC000414578152 1072358588 /nfs/dbraw/zinc/35/85/88/1072358588.db2.gz KNIVCCUASORBGD-BPQIPLTHSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC000414578152 1072358580 /nfs/dbraw/zinc/35/85/80/1072358580.db2.gz KNIVCCUASORBGD-BPQIPLTHSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000414578153 1072358937 /nfs/dbraw/zinc/35/89/37/1072358937.db2.gz KNIVCCUASORBGD-KBAYOESNSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000414578153 1072358922 /nfs/dbraw/zinc/35/89/22/1072358922.db2.gz KNIVCCUASORBGD-KBAYOESNSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000414578154 1072359028 /nfs/dbraw/zinc/35/90/28/1072359028.db2.gz KNIVCCUASORBGD-NJAFHUGGSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000414578154 1072359012 /nfs/dbraw/zinc/35/90/12/1072359012.db2.gz KNIVCCUASORBGD-NJAFHUGGSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC000414578155 1072359114 /nfs/dbraw/zinc/35/91/14/1072359114.db2.gz KNIVCCUASORBGD-NXHRZFHOSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC000414578155 1072359106 /nfs/dbraw/zinc/35/91/06/1072359106.db2.gz KNIVCCUASORBGD-NXHRZFHOSA-N 1 2 375.469 -0.079 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCOC3)CC1 ZINC000414579620 1073101465 /nfs/dbraw/zinc/10/14/65/1073101465.db2.gz AVAKESSCSFVDFA-IBGZPJMESA-N 1 2 383.489 -0.179 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000414579621 1073101831 /nfs/dbraw/zinc/10/18/31/1073101831.db2.gz MHISLAPAKVCOOM-GDBMZVCRSA-N 1 2 394.497 -0.391 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000414579621 1073101828 /nfs/dbraw/zinc/10/18/28/1073101828.db2.gz MHISLAPAKVCOOM-GDBMZVCRSA-N 1 2 394.497 -0.391 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000414579622 1073101515 /nfs/dbraw/zinc/10/15/15/1073101515.db2.gz MHISLAPAKVCOOM-GOEBONIOSA-N 1 2 394.497 -0.391 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000414579622 1073101509 /nfs/dbraw/zinc/10/15/09/1073101509.db2.gz MHISLAPAKVCOOM-GOEBONIOSA-N 1 2 394.497 -0.391 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000414579623 1073101673 /nfs/dbraw/zinc/10/16/73/1073101673.db2.gz MHISLAPAKVCOOM-HOCLYGCPSA-N 1 2 394.497 -0.391 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000414579623 1073101670 /nfs/dbraw/zinc/10/16/70/1073101670.db2.gz MHISLAPAKVCOOM-HOCLYGCPSA-N 1 2 394.497 -0.391 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000414579624 1073101584 /nfs/dbraw/zinc/10/15/84/1073101584.db2.gz MHISLAPAKVCOOM-ZBFHGGJFSA-N 1 2 394.497 -0.391 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000414579624 1073101582 /nfs/dbraw/zinc/10/15/82/1073101582.db2.gz MHISLAPAKVCOOM-ZBFHGGJFSA-N 1 2 394.497 -0.391 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCOC3)CC1 ZINC000414579625 1073101629 /nfs/dbraw/zinc/10/16/29/1073101629.db2.gz AVAKESSCSFVDFA-LJQANCHMSA-N 1 2 383.489 -0.179 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)CC1 ZINC000414580862 1073101842 /nfs/dbraw/zinc/10/18/42/1073101842.db2.gz CKNWTSMIRFXOGH-PBHICJAKSA-N 1 2 383.489 -0.182 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](C3CC3)C2)CC1 ZINC000414580864 1073101865 /nfs/dbraw/zinc/10/18/65/1073101865.db2.gz CKNWTSMIRFXOGH-RHSMWYFYSA-N 1 2 383.489 -0.182 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)CC1 ZINC000414580866 1073101556 /nfs/dbraw/zinc/10/15/56/1073101556.db2.gz CKNWTSMIRFXOGH-WMLDXEAASA-N 1 2 383.489 -0.182 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)CC1 ZINC000414580868 1073101662 /nfs/dbraw/zinc/10/16/62/1073101662.db2.gz CKNWTSMIRFXOGH-YOEHRIQHSA-N 1 2 383.489 -0.182 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC000414581502 1073102765 /nfs/dbraw/zinc/10/27/65/1073102765.db2.gz CUIQTRYQACEPOO-BEFAXECRSA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)CC1 ZINC000414581506 1073102416 /nfs/dbraw/zinc/10/24/16/1073102416.db2.gz CUIQTRYQACEPOO-DNVCBOLYSA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)CC1 ZINC000414581509 1073102340 /nfs/dbraw/zinc/10/23/40/1073102340.db2.gz CUIQTRYQACEPOO-HNAYVOBHSA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC000414581510 1073102578 /nfs/dbraw/zinc/10/25/78/1073102578.db2.gz CUIQTRYQACEPOO-KXBFYZLASA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC(CCCO)CC2)CC1 ZINC000414582598 1073102569 /nfs/dbraw/zinc/10/25/69/1073102569.db2.gz DZLYLVUWRBHXIQ-UHFFFAOYSA-N 1 2 385.505 -0.197 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC1 ZINC000414583057 1073104208 /nfs/dbraw/zinc/10/42/08/1073104208.db2.gz FNIHKEHHVWTBDT-AUUYWEPGSA-N 1 2 399.488 -0.550 20 0 GBADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC000414588272 1073105748 /nfs/dbraw/zinc/10/57/48/1073105748.db2.gz NWFHDBOAOOISBX-MSOLQXFVSA-N 1 2 375.469 -0.159 20 0 GBADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC000414588276 1073105838 /nfs/dbraw/zinc/10/58/38/1073105838.db2.gz NWFHDBOAOOISBX-QZTJIDSGSA-N 1 2 375.469 -0.159 20 0 GBADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](O)[C@H](CO)C2)CC1 ZINC000414588278 1073105501 /nfs/dbraw/zinc/10/55/01/1073105501.db2.gz NWFHDBOAOOISBX-ROUUACIJSA-N 1 2 375.469 -0.159 20 0 GBADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC000414588280 1073105857 /nfs/dbraw/zinc/10/58/57/1073105857.db2.gz NWFHDBOAOOISBX-ZWKOTPCHSA-N 1 2 375.469 -0.159 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000414592801 1073106572 /nfs/dbraw/zinc/10/65/72/1073106572.db2.gz DDMRLZVLMPDPRQ-RBSFLKMASA-N 1 2 383.489 -0.052 20 0 GBADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H](O)[C@@H](CO)C3)CC2)c1 ZINC000414593565 1073106508 /nfs/dbraw/zinc/10/65/08/1073106508.db2.gz WJPLMKGXNCKZTK-MSOLQXFVSA-N 1 2 375.469 -0.159 20 0 GBADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H](O)[C@@H](CO)C3)CC2)c1 ZINC000414593568 1073106215 /nfs/dbraw/zinc/10/62/15/1073106215.db2.gz WJPLMKGXNCKZTK-QZTJIDSGSA-N 1 2 375.469 -0.159 20 0 GBADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H](O)[C@H](CO)C3)CC2)c1 ZINC000414593570 1073106319 /nfs/dbraw/zinc/10/63/19/1073106319.db2.gz WJPLMKGXNCKZTK-ROUUACIJSA-N 1 2 375.469 -0.159 20 0 GBADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H](O)[C@H](CO)C3)CC2)c1 ZINC000414593571 1073106307 /nfs/dbraw/zinc/10/63/07/1073106307.db2.gz WJPLMKGXNCKZTK-ZWKOTPCHSA-N 1 2 375.469 -0.159 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCSC[C@@H](C(=O)OC)C2)CC1 ZINC000414594628 1073106948 /nfs/dbraw/zinc/10/69/48/1073106948.db2.gz GGBSQYZNJOZFRR-AWEZNQCLSA-N 1 2 387.502 -0.468 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCSC[C@H](C(=O)OC)C2)CC1 ZINC000414594629 1073107092 /nfs/dbraw/zinc/10/70/92/1073107092.db2.gz GGBSQYZNJOZFRR-CQSZACIVSA-N 1 2 387.502 -0.468 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)CC1 ZINC000414595273 1073107006 /nfs/dbraw/zinc/10/70/06/1073107006.db2.gz FYSIUFWCNSIXDB-GFCCVEGCSA-N 1 2 385.383 -0.826 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)CC1 ZINC000414595275 1073107023 /nfs/dbraw/zinc/10/70/23/1073107023.db2.gz FYSIUFWCNSIXDB-LBPRGKRZSA-N 1 2 385.383 -0.826 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000414595277 1073107116 /nfs/dbraw/zinc/10/71/16/1073107116.db2.gz FZAZNAGHSCIFMS-HNNXBMFYSA-N 1 2 397.394 -0.682 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000414595279 1073107054 /nfs/dbraw/zinc/10/70/54/1073107054.db2.gz FZAZNAGHSCIFMS-OAHLLOKOSA-N 1 2 397.394 -0.682 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414596835 1073106938 /nfs/dbraw/zinc/10/69/38/1073106938.db2.gz HTCZJSLARJMGBH-HNNXBMFYSA-N 1 2 399.488 -0.406 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414596836 1073106963 /nfs/dbraw/zinc/10/69/63/1073106963.db2.gz HTCZJSLARJMGBH-OAHLLOKOSA-N 1 2 399.488 -0.406 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN(CC(F)F)CC2)CC1 ZINC000414597166 1073107201 /nfs/dbraw/zinc/10/72/01/1073107201.db2.gz IPLGCRSFIJSVHX-UHFFFAOYSA-N 1 2 392.447 -0.799 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC000414597429 1073107184 /nfs/dbraw/zinc/10/71/84/1073107184.db2.gz IYXYLRQUEURZER-GDBMZVCRSA-N 1 2 387.477 -0.946 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC000414597430 1073107046 /nfs/dbraw/zinc/10/70/46/1073107046.db2.gz IYXYLRQUEURZER-GOEBONIOSA-N 1 2 387.477 -0.946 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC000414597431 1073106973 /nfs/dbraw/zinc/10/69/73/1073106973.db2.gz IYXYLRQUEURZER-HOCLYGCPSA-N 1 2 387.477 -0.946 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC000414597432 1073107214 /nfs/dbraw/zinc/10/72/14/1073107214.db2.gz IYXYLRQUEURZER-ZBFHGGJFSA-N 1 2 387.477 -0.946 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](c3ccco3)C2)CC1 ZINC000414597654 1073107041 /nfs/dbraw/zinc/10/70/41/1073107041.db2.gz JOENHVOSUFEEDR-KRWDZBQOSA-N 1 2 395.456 -0.015 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccco3)C2)CC1 ZINC000414597657 1073107013 /nfs/dbraw/zinc/10/70/13/1073107013.db2.gz JOENHVOSUFEEDR-QGZVFWFLSA-N 1 2 395.456 -0.015 20 0 GBADLO CCC1(CO)CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000414597681 1073106988 /nfs/dbraw/zinc/10/69/88/1073106988.db2.gz JQCLIGAOSCHLRE-UHFFFAOYSA-N 1 2 385.505 -0.197 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](n3cc(C)cn3)C2)CC1 ZINC000414597930 1073107664 /nfs/dbraw/zinc/10/76/64/1073107664.db2.gz KCQSYWWGNWLEDM-INIZCTEOSA-N 1 2 393.488 -0.229 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000414597931 1073107805 /nfs/dbraw/zinc/10/78/05/1073107805.db2.gz KCQSYWWGNWLEDM-MRXNPFEDSA-N 1 2 393.488 -0.229 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC3(C2)CCOCC3)CC1 ZINC000414598209 1073107640 /nfs/dbraw/zinc/10/76/40/1073107640.db2.gz KLUOAXCXBKOJGE-UHFFFAOYSA-N 1 2 383.489 -0.179 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)OC)C2)CC1 ZINC000414598269 1073107653 /nfs/dbraw/zinc/10/76/53/1073107653.db2.gz KUNALCUCIYNFFV-GOSISDBHSA-N 1 2 385.461 -0.796 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)OC)C2)CC1 ZINC000414598270 1073107718 /nfs/dbraw/zinc/10/77/18/1073107718.db2.gz KUNALCUCIYNFFV-SFHVURJKSA-N 1 2 385.461 -0.796 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)CC1 ZINC000414598550 1073107791 /nfs/dbraw/zinc/10/77/91/1073107791.db2.gz LBEZMROYQOHBMQ-IBGZPJMESA-N 1 2 399.488 -0.800 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)CC1 ZINC000414598551 1073107781 /nfs/dbraw/zinc/10/77/81/1073107781.db2.gz LBEZMROYQOHBMQ-LJQANCHMSA-N 1 2 399.488 -0.800 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000414599320 1073108435 /nfs/dbraw/zinc/10/84/35/1073108435.db2.gz MOSUQGVQRSKNOM-DOTOQJQBSA-N 1 2 388.468 -0.307 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000414599320 1073108432 /nfs/dbraw/zinc/10/84/32/1073108432.db2.gz MOSUQGVQRSKNOM-DOTOQJQBSA-N 1 2 388.468 -0.307 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000414599321 1073108547 /nfs/dbraw/zinc/10/85/47/1073108547.db2.gz MOSUQGVQRSKNOM-NVXWUHKLSA-N 1 2 388.468 -0.307 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000414599321 1073108540 /nfs/dbraw/zinc/10/85/40/1073108540.db2.gz MOSUQGVQRSKNOM-NVXWUHKLSA-N 1 2 388.468 -0.307 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000414599322 1073108835 /nfs/dbraw/zinc/10/88/35/1073108835.db2.gz MOSUQGVQRSKNOM-RDJZCZTQSA-N 1 2 388.468 -0.307 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000414599322 1073108830 /nfs/dbraw/zinc/10/88/30/1073108830.db2.gz MOSUQGVQRSKNOM-RDJZCZTQSA-N 1 2 388.468 -0.307 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000414599323 1073108632 /nfs/dbraw/zinc/10/86/32/1073108632.db2.gz MOSUQGVQRSKNOM-WBVHZDCISA-N 1 2 388.468 -0.307 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000414599323 1073108630 /nfs/dbraw/zinc/10/86/30/1073108630.db2.gz MOSUQGVQRSKNOM-WBVHZDCISA-N 1 2 388.468 -0.307 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](n3cccn3)C2)CC1 ZINC000414599448 1073108680 /nfs/dbraw/zinc/10/86/80/1073108680.db2.gz MQVZRKZOCHRXHE-INIZCTEOSA-N 1 2 393.488 -0.148 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3cccn3)C2)CC1 ZINC000414599462 1072381459 /nfs/dbraw/zinc/38/14/59/1072381459.db2.gz MQVZRKZOCHRXHE-MRXNPFEDSA-N 1 2 393.488 -0.148 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000414599508 1073108821 /nfs/dbraw/zinc/10/88/21/1073108821.db2.gz MTVAOCUCGKMCSG-DOTOQJQBSA-N 1 2 385.505 -0.199 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCC[C@H]2O)CC1 ZINC000414599511 1073108702 /nfs/dbraw/zinc/10/87/02/1073108702.db2.gz MTVAOCUCGKMCSG-NVXWUHKLSA-N 1 2 385.505 -0.199 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000414599513 1073108567 /nfs/dbraw/zinc/10/85/67/1073108567.db2.gz MTVAOCUCGKMCSG-RDJZCZTQSA-N 1 2 385.505 -0.199 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000414599515 1072382751 /nfs/dbraw/zinc/38/27/51/1072382751.db2.gz MTVAOCUCGKMCSG-WBVHZDCISA-N 1 2 385.505 -0.199 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)OC)C2)[C@H](C)C1 ZINC000414599717 1073108859 /nfs/dbraw/zinc/10/88/59/1073108859.db2.gz NEUJUQWQFRSHIV-AUUYWEPGSA-N 1 2 397.472 -0.116 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)OC)C2)[C@H](C)C1 ZINC000414599717 1073108856 /nfs/dbraw/zinc/10/88/56/1073108856.db2.gz NEUJUQWQFRSHIV-AUUYWEPGSA-N 1 2 397.472 -0.116 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)OC)C2)[C@@H](C)C1 ZINC000414599719 1073108411 /nfs/dbraw/zinc/10/84/11/1073108411.db2.gz NEUJUQWQFRSHIV-IFXJQAMLSA-N 1 2 397.472 -0.116 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)OC)C2)[C@@H](C)C1 ZINC000414599719 1073108406 /nfs/dbraw/zinc/10/84/06/1073108406.db2.gz NEUJUQWQFRSHIV-IFXJQAMLSA-N 1 2 397.472 -0.116 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)OC)C2)[C@H](C)C1 ZINC000414599721 1073108868 /nfs/dbraw/zinc/10/88/68/1073108868.db2.gz NEUJUQWQFRSHIV-KUHUBIRLSA-N 1 2 397.472 -0.116 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)OC)C2)[C@H](C)C1 ZINC000414599721 1073108864 /nfs/dbraw/zinc/10/88/64/1073108864.db2.gz NEUJUQWQFRSHIV-KUHUBIRLSA-N 1 2 397.472 -0.116 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)OC)C2)[C@@H](C)C1 ZINC000414599723 1073108479 /nfs/dbraw/zinc/10/84/79/1073108479.db2.gz NEUJUQWQFRSHIV-LIRRHRJNSA-N 1 2 397.472 -0.116 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)OC)C2)[C@@H](C)C1 ZINC000414599723 1073108477 /nfs/dbraw/zinc/10/84/77/1073108477.db2.gz NEUJUQWQFRSHIV-LIRRHRJNSA-N 1 2 397.472 -0.116 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000414599982 1073108622 /nfs/dbraw/zinc/10/86/22/1073108622.db2.gz NYZNBVABJKLGSH-JFIYKMOQSA-N 1 2 397.516 -0.199 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CC1 ZINC000414599983 1073108585 /nfs/dbraw/zinc/10/85/85/1073108585.db2.gz NYZNBVABJKLGSH-NUJGCVRESA-N 1 2 397.516 -0.199 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CC1 ZINC000414599984 1073108611 /nfs/dbraw/zinc/10/86/11/1073108611.db2.gz NYZNBVABJKLGSH-RYRKJORJSA-N 1 2 397.516 -0.199 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000414599985 1073108690 /nfs/dbraw/zinc/10/86/90/1073108690.db2.gz NYZNBVABJKLGSH-SOLBZPMBSA-N 1 2 397.516 -0.199 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)OC)C2)CC1 ZINC000414599994 1073108785 /nfs/dbraw/zinc/10/87/85/1073108785.db2.gz OAJNBGHGZIRPAO-IBGZPJMESA-N 1 2 399.488 -0.406 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)OC)C2)CC1 ZINC000414599995 1073108652 /nfs/dbraw/zinc/10/86/52/1073108652.db2.gz OAJNBGHGZIRPAO-LJQANCHMSA-N 1 2 399.488 -0.406 20 0 GBADLO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414600583 1073109528 /nfs/dbraw/zinc/10/95/28/1073109528.db2.gz PZKVBWRUOSXYDA-HNNXBMFYSA-N 1 2 398.504 -0.691 20 0 GBADLO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1 ZINC000414600584 1073109610 /nfs/dbraw/zinc/10/96/10/1073109610.db2.gz PZKVBWRUOSXYDA-OAHLLOKOSA-N 1 2 398.504 -0.691 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)CC(=O)NC(C)(C)C)CC1 ZINC000414600602 1073109443 /nfs/dbraw/zinc/10/94/43/1073109443.db2.gz QDOWWKUPRZUSGZ-UHFFFAOYSA-N 1 2 386.493 -0.835 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC000414601356 1073103136 /nfs/dbraw/zinc/10/31/36/1073103136.db2.gz RXSYZEDOJLFZDR-BEFAXECRSA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000414601357 1073103252 /nfs/dbraw/zinc/10/32/52/1073103252.db2.gz RXSYZEDOJLFZDR-DNVCBOLYSA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)CC1 ZINC000414601358 1073103369 /nfs/dbraw/zinc/10/33/69/1073103369.db2.gz RXSYZEDOJLFZDR-HNAYVOBHSA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)CC1 ZINC000414601359 1073103192 /nfs/dbraw/zinc/10/31/92/1073103192.db2.gz RXSYZEDOJLFZDR-KXBFYZLASA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)CCc2ccncc2)CC1 ZINC000414601379 1073103418 /nfs/dbraw/zinc/10/34/18/1073103418.db2.gz SAWWISRWHQHOEM-UHFFFAOYSA-N 1 2 378.473 -0.112 20 0 GBADLO COCC(COC)N1CCN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000414602025 1073103176 /nfs/dbraw/zinc/10/31/76/1073103176.db2.gz UFUQMJVSHLZPHM-HNNXBMFYSA-N 1 2 393.488 -0.079 20 0 GBADLO COCC(COC)N1CCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000414602027 1073103108 /nfs/dbraw/zinc/10/31/08/1073103108.db2.gz UFUQMJVSHLZPHM-OAHLLOKOSA-N 1 2 393.488 -0.079 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000414602629 1073103936 /nfs/dbraw/zinc/10/39/36/1073103936.db2.gz VUUXCSVLQJHWOV-UHFFFAOYSA-N 1 2 399.488 -0.406 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)C(C)C)CC2)CC1 ZINC000414603088 1073104119 /nfs/dbraw/zinc/10/41/19/1073104119.db2.gz WSJUMJACQHADRW-UHFFFAOYSA-N 1 2 398.504 -0.881 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)OC)C2)CC1 ZINC000414603285 1073104179 /nfs/dbraw/zinc/10/41/79/1073104179.db2.gz XKJLPFLITSPILI-AWEZNQCLSA-N 1 2 385.461 -0.796 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCOC3(CCCC3)C2)CC1 ZINC000414603486 1073104131 /nfs/dbraw/zinc/10/41/31/1073104131.db2.gz XVWRTZFTPHMSLF-UHFFFAOYSA-N 1 2 383.489 -0.036 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN(CC(C)C)C(=O)C2)CC1 ZINC000414603622 1073103927 /nfs/dbraw/zinc/10/39/27/1073103927.db2.gz YCOSKKSOFHEVOQ-UHFFFAOYSA-N 1 2 398.504 -0.881 20 0 GBADLO COCC(COC)N1CCN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000414604177 1073103959 /nfs/dbraw/zinc/10/39/59/1073103959.db2.gz ZBNXNANEZVWJGG-UHFFFAOYSA-N 1 2 381.477 -0.463 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000414604251 1073104064 /nfs/dbraw/zinc/10/40/64/1073104064.db2.gz ZEQXRTSNCMGWMF-CVEARBPZSA-N 1 2 383.489 -0.323 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000414604255 1073104234 /nfs/dbraw/zinc/10/42/34/1073104234.db2.gz ZEQXRTSNCMGWMF-HOTGVXAUSA-N 1 2 383.489 -0.323 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000414604259 1073103945 /nfs/dbraw/zinc/10/39/45/1073103945.db2.gz ZEQXRTSNCMGWMF-HZPDHXFCSA-N 1 2 383.489 -0.323 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000414604262 1073103808 /nfs/dbraw/zinc/10/38/08/1073103808.db2.gz ZEQXRTSNCMGWMF-JKSUJKDBSA-N 1 2 383.489 -0.323 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](n3cccn3)C2)CC1 ZINC000414604670 1073109495 /nfs/dbraw/zinc/10/94/95/1073109495.db2.gz ZRUGWIMVNLSMIE-HNNXBMFYSA-N 1 2 379.461 -0.538 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](n3cccn3)C2)CC1 ZINC000414604673 1073109384 /nfs/dbraw/zinc/10/93/84/1073109384.db2.gz ZRUGWIMVNLSMIE-OAHLLOKOSA-N 1 2 379.461 -0.538 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](O)[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000414608342 1072400860 /nfs/dbraw/zinc/40/08/60/1072400860.db2.gz HRDDSYQDKBSTSY-BPQIPLTHSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](O)[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000414608342 1072400853 /nfs/dbraw/zinc/40/08/53/1072400853.db2.gz HRDDSYQDKBSTSY-BPQIPLTHSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000414608343 1072400683 /nfs/dbraw/zinc/40/06/83/1072400683.db2.gz HRDDSYQDKBSTSY-KBAYOESNSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000414608343 1072400678 /nfs/dbraw/zinc/40/06/78/1072400678.db2.gz HRDDSYQDKBSTSY-KBAYOESNSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000414608344 1073109306 /nfs/dbraw/zinc/10/93/06/1073109306.db2.gz HRDDSYQDKBSTSY-NJAFHUGGSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000414608344 1073109303 /nfs/dbraw/zinc/10/93/03/1073109303.db2.gz HRDDSYQDKBSTSY-NJAFHUGGSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000414608345 1073109512 /nfs/dbraw/zinc/10/95/12/1073109512.db2.gz HRDDSYQDKBSTSY-NXHRZFHOSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](O)[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000414608345 1073109509 /nfs/dbraw/zinc/10/95/09/1073109509.db2.gz HRDDSYQDKBSTSY-NXHRZFHOSA-N 1 2 375.469 -0.079 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000414612021 1073112004 /nfs/dbraw/zinc/11/20/04/1073112004.db2.gz OZPASHVPILDQGQ-BMFZPTHFSA-N 1 2 384.436 -0.550 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000414612021 1073111999 /nfs/dbraw/zinc/11/19/99/1073111999.db2.gz OZPASHVPILDQGQ-BMFZPTHFSA-N 1 2 384.436 -0.550 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000414612027 1073112212 /nfs/dbraw/zinc/11/22/12/1073112212.db2.gz OZPASHVPILDQGQ-CWRNSKLLSA-N 1 2 384.436 -0.550 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000414612027 1073112207 /nfs/dbraw/zinc/11/22/07/1073112207.db2.gz OZPASHVPILDQGQ-CWRNSKLLSA-N 1 2 384.436 -0.550 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(NC)nc2)CC1 ZINC000414720796 1073119294 /nfs/dbraw/zinc/11/92/94/1073119294.db2.gz DGPITRQFIAAPPF-UHFFFAOYSA-N 1 2 390.488 0.465 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(NC)nc2)CC1 ZINC000414720796 1073119286 /nfs/dbraw/zinc/11/92/86/1073119286.db2.gz DGPITRQFIAAPPF-UHFFFAOYSA-N 1 2 390.488 0.465 20 0 GBADLO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000415284927 1073175175 /nfs/dbraw/zinc/17/51/75/1073175175.db2.gz QGEUWWCNUINSAG-UHFFFAOYSA-N 1 2 387.484 -0.237 20 0 GBADLO CC(C)(C)c1nc(=NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s[nH]1 ZINC000415610025 1073212511 /nfs/dbraw/zinc/21/25/11/1073212511.db2.gz VJYZXESHJROUMK-LLVKDONJSA-N 1 2 394.501 -0.381 20 0 GBADLO CC(C)(C)c1nc(=NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)s[nH]1 ZINC000415610027 1073212522 /nfs/dbraw/zinc/21/25/22/1073212522.db2.gz VJYZXESHJROUMK-NSHDSACASA-N 1 2 394.501 -0.381 20 0 GBADLO CO[C@@H](CC(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000416139243 530270924 /nfs/dbraw/zinc/27/09/24/530270924.db2.gz VWCXCERPJLMBIG-HNNXBMFYSA-N 1 2 376.523 -0.316 20 0 GBADLO CO[C@H](CC(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000416139244 530270981 /nfs/dbraw/zinc/27/09/81/530270981.db2.gz VWCXCERPJLMBIG-OAHLLOKOSA-N 1 2 376.523 -0.316 20 0 GBADLO COC(=O)c1ccnc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000416165413 1073250735 /nfs/dbraw/zinc/25/07/35/1073250735.db2.gz FWBMCYRRGNQNOK-AWEZNQCLSA-N 1 2 376.413 -0.469 20 0 GBADLO COC(=O)c1ccnc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000416165414 1073250591 /nfs/dbraw/zinc/25/05/91/1073250591.db2.gz FWBMCYRRGNQNOK-CQSZACIVSA-N 1 2 376.413 -0.469 20 0 GBADLO CCOC(=O)[C@@H](C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000416210300 1073252955 /nfs/dbraw/zinc/25/29/55/1073252955.db2.gz POEBDSVNRBLDAR-DOTOQJQBSA-N 1 2 377.441 -0.022 20 0 GBADLO CCOC(=O)[C@@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000416210300 1073252945 /nfs/dbraw/zinc/25/29/45/1073252945.db2.gz POEBDSVNRBLDAR-DOTOQJQBSA-N 1 2 377.441 -0.022 20 0 GBADLO CCOC(=O)[C@@H](C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000416210301 1073252848 /nfs/dbraw/zinc/25/28/48/1073252848.db2.gz POEBDSVNRBLDAR-NVXWUHKLSA-N 1 2 377.441 -0.022 20 0 GBADLO CCOC(=O)[C@@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000416210301 1073252843 /nfs/dbraw/zinc/25/28/43/1073252843.db2.gz POEBDSVNRBLDAR-NVXWUHKLSA-N 1 2 377.441 -0.022 20 0 GBADLO CCOC(=O)[C@H](C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000416210302 1073252929 /nfs/dbraw/zinc/25/29/29/1073252929.db2.gz POEBDSVNRBLDAR-RDJZCZTQSA-N 1 2 377.441 -0.022 20 0 GBADLO CCOC(=O)[C@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000416210302 1073252921 /nfs/dbraw/zinc/25/29/21/1073252921.db2.gz POEBDSVNRBLDAR-RDJZCZTQSA-N 1 2 377.441 -0.022 20 0 GBADLO CCOC(=O)[C@H](C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000416210303 1073253170 /nfs/dbraw/zinc/25/31/70/1073253170.db2.gz POEBDSVNRBLDAR-WBVHZDCISA-N 1 2 377.441 -0.022 20 0 GBADLO CCOC(=O)[C@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000416210303 1073253162 /nfs/dbraw/zinc/25/31/62/1073253162.db2.gz POEBDSVNRBLDAR-WBVHZDCISA-N 1 2 377.441 -0.022 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000416314644 1073260602 /nfs/dbraw/zinc/26/06/02/1073260602.db2.gz TVFNENWZMVHTSS-GHMZBOCLSA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000416314644 1073260596 /nfs/dbraw/zinc/26/05/96/1073260596.db2.gz TVFNENWZMVHTSS-GHMZBOCLSA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@@H]1CN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)[C@@H](C)C[N@H+]1CCO ZINC000416314645 1073260830 /nfs/dbraw/zinc/26/08/30/1073260830.db2.gz TVFNENWZMVHTSS-MNOVXSKESA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@@H]1CN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)[C@@H](C)C[N@@H+]1CCO ZINC000416314645 1073260827 /nfs/dbraw/zinc/26/08/27/1073260827.db2.gz TVFNENWZMVHTSS-MNOVXSKESA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000416314646 1073260707 /nfs/dbraw/zinc/26/07/07/1073260707.db2.gz TVFNENWZMVHTSS-QWRGUYRKSA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000416314646 1073260702 /nfs/dbraw/zinc/26/07/02/1073260702.db2.gz TVFNENWZMVHTSS-QWRGUYRKSA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000416314647 1073261096 /nfs/dbraw/zinc/26/10/96/1073261096.db2.gz TVFNENWZMVHTSS-WDEREUQCSA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000416314647 1073261090 /nfs/dbraw/zinc/26/10/90/1073261090.db2.gz TVFNENWZMVHTSS-WDEREUQCSA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000416545043 530271561 /nfs/dbraw/zinc/27/15/61/530271561.db2.gz HJSXDBOQJPTCFX-CABCVRRESA-N 1 2 377.507 -0.189 20 0 GBADLO C[C@H]1CN(S(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H](C)CO1 ZINC000416545044 530271712 /nfs/dbraw/zinc/27/17/12/530271712.db2.gz HJSXDBOQJPTCFX-GJZGRUSLSA-N 1 2 377.507 -0.189 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@H](C)CO1 ZINC000416545045 530271732 /nfs/dbraw/zinc/27/17/32/530271732.db2.gz HJSXDBOQJPTCFX-HUUCEWRRSA-N 1 2 377.507 -0.189 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H](C)CO1 ZINC000416545046 530271737 /nfs/dbraw/zinc/27/17/37/530271737.db2.gz HJSXDBOQJPTCFX-LSDHHAIUSA-N 1 2 377.507 -0.189 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H](C)O1 ZINC000416546724 530271784 /nfs/dbraw/zinc/27/17/84/530271784.db2.gz LJFBJJJUTCXVQT-GASCZTMLSA-N 1 2 377.507 -0.189 20 0 GBADLO C[C@H]1CN(S(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H](C)O1 ZINC000416546725 530271522 /nfs/dbraw/zinc/27/15/22/530271522.db2.gz LJFBJJJUTCXVQT-GJZGRUSLSA-N 1 2 377.507 -0.189 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H](C)O1 ZINC000416546726 530271742 /nfs/dbraw/zinc/27/17/42/530271742.db2.gz LJFBJJJUTCXVQT-HUUCEWRRSA-N 1 2 377.507 -0.189 20 0 GBADLO CC1(C)CN(S(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCO1 ZINC000416547965 530271552 /nfs/dbraw/zinc/27/15/52/530271552.db2.gz NHFSLRVNSHQJDP-UHFFFAOYSA-N 1 2 377.507 -0.187 20 0 GBADLO COCCN(CCOC)S(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000416553518 1073279753 /nfs/dbraw/zinc/27/97/53/1073279753.db2.gz WZYTYLNQIRWQLN-UHFFFAOYSA-N 1 2 395.522 -0.703 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)c2c[nH]c(C(=O)OC)c2)CC1 ZINC000416565506 530271665 /nfs/dbraw/zinc/27/16/65/530271665.db2.gz AVJXUAJXWUHFIE-UHFFFAOYSA-N 1 2 375.447 -0.231 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)CC2(C(=O)OC)CCC2)CC1 ZINC000416567226 530271512 /nfs/dbraw/zinc/27/15/12/530271512.db2.gz FFHVLIMNBKNXJH-UHFFFAOYSA-N 1 2 378.491 -0.062 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000416570182 530271535 /nfs/dbraw/zinc/27/15/35/530271535.db2.gz LEUVWOFHXSLJIT-CABCVRRESA-N 1 2 378.491 -0.063 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000416570183 530271540 /nfs/dbraw/zinc/27/15/40/530271540.db2.gz LEUVWOFHXSLJIT-GJZGRUSLSA-N 1 2 378.491 -0.063 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000416570184 530271777 /nfs/dbraw/zinc/27/17/77/530271777.db2.gz LEUVWOFHXSLJIT-HUUCEWRRSA-N 1 2 378.491 -0.063 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000416570185 530271786 /nfs/dbraw/zinc/27/17/86/530271786.db2.gz LEUVWOFHXSLJIT-LSDHHAIUSA-N 1 2 378.491 -0.063 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)CC2(CC(=O)OC)CC2)CC1 ZINC000416573732 530271575 /nfs/dbraw/zinc/27/15/75/530271575.db2.gz VJQDDLASONBCSU-UHFFFAOYSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000416574414 1073281888 /nfs/dbraw/zinc/28/18/88/1073281888.db2.gz XMXSWIFNUYQKHD-HNNXBMFYSA-N 1 2 393.506 -0.462 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000416574415 1073281861 /nfs/dbraw/zinc/28/18/61/1073281861.db2.gz XMXSWIFNUYQKHD-OAHLLOKOSA-N 1 2 393.506 -0.462 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC[N@@H+](C)C1 ZINC000416576137 1073281624 /nfs/dbraw/zinc/28/16/24/1073281624.db2.gz CQYHCXWBNOWKCS-SECBINFHSA-N 1 2 387.389 -0.015 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC[N@H+](C)C1 ZINC000416576137 1073281618 /nfs/dbraw/zinc/28/16/18/1073281618.db2.gz CQYHCXWBNOWKCS-SECBINFHSA-N 1 2 387.389 -0.015 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC[N@@H+](C)C1 ZINC000416576138 1073281982 /nfs/dbraw/zinc/28/19/82/1073281982.db2.gz CQYHCXWBNOWKCS-VIFPVBQESA-N 1 2 387.389 -0.015 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC[N@H+](C)C1 ZINC000416576138 1073281979 /nfs/dbraw/zinc/28/19/79/1073281979.db2.gz CQYHCXWBNOWKCS-VIFPVBQESA-N 1 2 387.389 -0.015 20 0 GBADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)cn1C ZINC000416577976 1073281789 /nfs/dbraw/zinc/28/17/89/1073281789.db2.gz FYEQLOLEGYJXFT-GFCCVEGCSA-N 1 2 387.458 -0.073 20 0 GBADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cn1C ZINC000416577976 1073281785 /nfs/dbraw/zinc/28/17/85/1073281785.db2.gz FYEQLOLEGYJXFT-GFCCVEGCSA-N 1 2 387.458 -0.073 20 0 GBADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cn1C ZINC000416577978 1073281942 /nfs/dbraw/zinc/28/19/42/1073281942.db2.gz FYEQLOLEGYJXFT-LBPRGKRZSA-N 1 2 387.458 -0.073 20 0 GBADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cn1C ZINC000416577978 1073281939 /nfs/dbraw/zinc/28/19/39/1073281939.db2.gz FYEQLOLEGYJXFT-LBPRGKRZSA-N 1 2 387.458 -0.073 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(NC(C)=O)s2)CC[N@@H+](C)C1 ZINC000416579399 530271406 /nfs/dbraw/zinc/27/14/06/530271406.db2.gz HMLLUHFITXQBHM-JTQLQIEISA-N 1 2 376.460 -0.173 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(NC(C)=O)s2)CC[N@H+](C)C1 ZINC000416579399 530271405 /nfs/dbraw/zinc/27/14/05/530271405.db2.gz HMLLUHFITXQBHM-JTQLQIEISA-N 1 2 376.460 -0.173 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(NC(C)=O)s2)CC[N@@H+](C)C1 ZINC000416579405 530271093 /nfs/dbraw/zinc/27/10/93/530271093.db2.gz HMLLUHFITXQBHM-SNVBAGLBSA-N 1 2 376.460 -0.173 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(NC(C)=O)s2)CC[N@H+](C)C1 ZINC000416579405 530271091 /nfs/dbraw/zinc/27/10/91/530271091.db2.gz HMLLUHFITXQBHM-SNVBAGLBSA-N 1 2 376.460 -0.173 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC[N@@H+](C)C1 ZINC000416580450 1073282736 /nfs/dbraw/zinc/28/27/36/1073282736.db2.gz IMNUWNWUXHFGGJ-LLVKDONJSA-N 1 2 395.437 -0.362 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC[N@H+](C)C1 ZINC000416580450 1073282735 /nfs/dbraw/zinc/28/27/35/1073282735.db2.gz IMNUWNWUXHFGGJ-LLVKDONJSA-N 1 2 395.437 -0.362 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC[N@@H+](C)C1 ZINC000416580452 1073282714 /nfs/dbraw/zinc/28/27/14/1073282714.db2.gz IMNUWNWUXHFGGJ-NSHDSACASA-N 1 2 395.437 -0.362 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC[N@H+](C)C1 ZINC000416580452 1073282713 /nfs/dbraw/zinc/28/27/13/1073282713.db2.gz IMNUWNWUXHFGGJ-NSHDSACASA-N 1 2 395.437 -0.362 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC[N@@H+](C)C1 ZINC000416581041 530271360 /nfs/dbraw/zinc/27/13/60/530271360.db2.gz JEINIIUXQHDZGB-LLVKDONJSA-N 1 2 391.471 -0.941 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC[N@H+](C)C1 ZINC000416581041 530271358 /nfs/dbraw/zinc/27/13/58/530271358.db2.gz JEINIIUXQHDZGB-LLVKDONJSA-N 1 2 391.471 -0.941 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC[N@@H+](C)C1 ZINC000416581048 530271415 /nfs/dbraw/zinc/27/14/15/530271415.db2.gz JEINIIUXQHDZGB-NSHDSACASA-N 1 2 391.471 -0.941 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC[N@H+](C)C1 ZINC000416581048 530271414 /nfs/dbraw/zinc/27/14/14/530271414.db2.gz JEINIIUXQHDZGB-NSHDSACASA-N 1 2 391.471 -0.941 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC[N@@H+](C)C1 ZINC000416582220 1073282730 /nfs/dbraw/zinc/28/27/30/1073282730.db2.gz KFKXWBRPSFPVKI-JTQLQIEISA-N 1 2 396.425 -0.234 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC[N@H+](C)C1 ZINC000416582220 1073282729 /nfs/dbraw/zinc/28/27/29/1073282729.db2.gz KFKXWBRPSFPVKI-JTQLQIEISA-N 1 2 396.425 -0.234 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC[N@@H+](C)C1 ZINC000416582221 1073282767 /nfs/dbraw/zinc/28/27/67/1073282767.db2.gz KFKXWBRPSFPVKI-SNVBAGLBSA-N 1 2 396.425 -0.234 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC[N@H+](C)C1 ZINC000416582221 1073282763 /nfs/dbraw/zinc/28/27/63/1073282763.db2.gz KFKXWBRPSFPVKI-SNVBAGLBSA-N 1 2 396.425 -0.234 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)cnc1C ZINC000416583385 1073282334 /nfs/dbraw/zinc/28/23/34/1073282334.db2.gz LPFIUJLKAWYKDA-GFCCVEGCSA-N 1 2 385.442 -0.098 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cnc1C ZINC000416583385 1073282331 /nfs/dbraw/zinc/28/23/31/1073282331.db2.gz LPFIUJLKAWYKDA-GFCCVEGCSA-N 1 2 385.442 -0.098 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cnc1C ZINC000416583393 1073282584 /nfs/dbraw/zinc/28/25/84/1073282584.db2.gz LPFIUJLKAWYKDA-LBPRGKRZSA-N 1 2 385.442 -0.098 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cnc1C ZINC000416583393 1073282580 /nfs/dbraw/zinc/28/25/80/1073282580.db2.gz LPFIUJLKAWYKDA-LBPRGKRZSA-N 1 2 385.442 -0.098 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC[N@@H+](C)C1 ZINC000416583395 1073282507 /nfs/dbraw/zinc/28/25/07/1073282507.db2.gz LQVHQZOJEMGXHM-CYBMUJFWSA-N 1 2 381.454 -0.302 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC[N@H+](C)C1 ZINC000416583395 1073282502 /nfs/dbraw/zinc/28/25/02/1073282502.db2.gz LQVHQZOJEMGXHM-CYBMUJFWSA-N 1 2 381.454 -0.302 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC[N@@H+](C)C1 ZINC000416583397 1073282419 /nfs/dbraw/zinc/28/24/19/1073282419.db2.gz LQVHQZOJEMGXHM-ZDUSSCGKSA-N 1 2 381.454 -0.302 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC[N@H+](C)C1 ZINC000416583397 1073282416 /nfs/dbraw/zinc/28/24/16/1073282416.db2.gz LQVHQZOJEMGXHM-ZDUSSCGKSA-N 1 2 381.454 -0.302 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC[N@@H+](C)C1 ZINC000416585151 1073282488 /nfs/dbraw/zinc/28/24/88/1073282488.db2.gz NIYWGMFXCBBVBZ-GFCCVEGCSA-N 1 2 380.430 -0.612 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC[N@H+](C)C1 ZINC000416585151 1073282482 /nfs/dbraw/zinc/28/24/82/1073282482.db2.gz NIYWGMFXCBBVBZ-GFCCVEGCSA-N 1 2 380.430 -0.612 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC[N@@H+](C)C1 ZINC000416585163 1073282775 /nfs/dbraw/zinc/28/27/75/1073282775.db2.gz NIYWGMFXCBBVBZ-LBPRGKRZSA-N 1 2 380.430 -0.612 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC[N@H+](C)C1 ZINC000416585163 1073282774 /nfs/dbraw/zinc/28/27/74/1073282774.db2.gz NIYWGMFXCBBVBZ-LBPRGKRZSA-N 1 2 380.430 -0.612 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC[N@@H+](C)C1 ZINC000416586240 1073282372 /nfs/dbraw/zinc/28/23/72/1073282372.db2.gz ORQPNLASJXGOPZ-LLVKDONJSA-N 1 2 383.426 -0.143 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC[N@H+](C)C1 ZINC000416586240 1073282370 /nfs/dbraw/zinc/28/23/70/1073282370.db2.gz ORQPNLASJXGOPZ-LLVKDONJSA-N 1 2 383.426 -0.143 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC[N@@H+](C)C1 ZINC000416586241 1073282757 /nfs/dbraw/zinc/28/27/57/1073282757.db2.gz ORQPNLASJXGOPZ-NSHDSACASA-N 1 2 383.426 -0.143 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC[N@H+](C)C1 ZINC000416586241 1073282755 /nfs/dbraw/zinc/28/27/55/1073282755.db2.gz ORQPNLASJXGOPZ-NSHDSACASA-N 1 2 383.426 -0.143 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)CC[N@@H+](C)C1 ZINC000416586786 1073282400 /nfs/dbraw/zinc/28/24/00/1073282400.db2.gz PACSGYOBKKTOEY-CYBMUJFWSA-N 1 2 394.457 -0.398 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)CC[N@H+](C)C1 ZINC000416586786 1073282396 /nfs/dbraw/zinc/28/23/96/1073282396.db2.gz PACSGYOBKKTOEY-CYBMUJFWSA-N 1 2 394.457 -0.398 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)CC[N@@H+](C)C1 ZINC000416586798 1073282597 /nfs/dbraw/zinc/28/25/97/1073282597.db2.gz PACSGYOBKKTOEY-ZDUSSCGKSA-N 1 2 394.457 -0.398 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)CC[N@H+](C)C1 ZINC000416586798 1073282593 /nfs/dbraw/zinc/28/25/93/1073282593.db2.gz PACSGYOBKKTOEY-ZDUSSCGKSA-N 1 2 394.457 -0.398 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC[N@@H+](C)C1 ZINC000416590005 1073282676 /nfs/dbraw/zinc/28/26/76/1073282676.db2.gz SAFAPUTZPWMBBN-GFCCVEGCSA-N 1 2 396.469 -0.398 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC[N@H+](C)C1 ZINC000416590005 1073282674 /nfs/dbraw/zinc/28/26/74/1073282674.db2.gz SAFAPUTZPWMBBN-GFCCVEGCSA-N 1 2 396.469 -0.398 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC[N@@H+](C)C1 ZINC000416590009 1073282525 /nfs/dbraw/zinc/28/25/25/1073282525.db2.gz SAFAPUTZPWMBBN-LBPRGKRZSA-N 1 2 396.469 -0.398 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC[N@H+](C)C1 ZINC000416590009 1073282522 /nfs/dbraw/zinc/28/25/22/1073282522.db2.gz SAFAPUTZPWMBBN-LBPRGKRZSA-N 1 2 396.469 -0.398 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC[N@@H+](C)C1 ZINC000416593290 1073283258 /nfs/dbraw/zinc/28/32/58/1073283258.db2.gz VOXSEBIOAWNULF-CYBMUJFWSA-N 1 2 381.454 -0.069 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC[N@H+](C)C1 ZINC000416593290 1073283251 /nfs/dbraw/zinc/28/32/51/1073283251.db2.gz VOXSEBIOAWNULF-CYBMUJFWSA-N 1 2 381.454 -0.069 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC[N@@H+](C)C1 ZINC000416593296 1073283559 /nfs/dbraw/zinc/28/35/59/1073283559.db2.gz VOXSEBIOAWNULF-ZDUSSCGKSA-N 1 2 381.454 -0.069 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC[N@H+](C)C1 ZINC000416593296 1073283557 /nfs/dbraw/zinc/28/35/57/1073283557.db2.gz VOXSEBIOAWNULF-ZDUSSCGKSA-N 1 2 381.454 -0.069 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)CC[N@@H+](C)C1 ZINC000416594774 1073283404 /nfs/dbraw/zinc/28/34/04/1073283404.db2.gz WUGCLMVKALMVIA-LLVKDONJSA-N 1 2 385.442 -0.481 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)CC[N@H+](C)C1 ZINC000416594774 1073283400 /nfs/dbraw/zinc/28/34/00/1073283400.db2.gz WUGCLMVKALMVIA-LLVKDONJSA-N 1 2 385.442 -0.481 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)CC[N@@H+](C)C1 ZINC000416594783 1073283446 /nfs/dbraw/zinc/28/34/46/1073283446.db2.gz WUGCLMVKALMVIA-NSHDSACASA-N 1 2 385.442 -0.481 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)CC[N@H+](C)C1 ZINC000416594783 1073283441 /nfs/dbraw/zinc/28/34/41/1073283441.db2.gz WUGCLMVKALMVIA-NSHDSACASA-N 1 2 385.442 -0.481 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000416604816 1073284068 /nfs/dbraw/zinc/28/40/68/1073284068.db2.gz DLFBBYBPTJMQLN-AWEZNQCLSA-N 1 2 392.481 -0.021 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000416604816 1073284061 /nfs/dbraw/zinc/28/40/61/1073284061.db2.gz DLFBBYBPTJMQLN-AWEZNQCLSA-N 1 2 392.481 -0.021 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000416604827 1073283901 /nfs/dbraw/zinc/28/39/01/1073283901.db2.gz DLFBBYBPTJMQLN-CQSZACIVSA-N 1 2 392.481 -0.021 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000416604827 1073283899 /nfs/dbraw/zinc/28/38/99/1073283899.db2.gz DLFBBYBPTJMQLN-CQSZACIVSA-N 1 2 392.481 -0.021 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000416608087 530272307 /nfs/dbraw/zinc/27/23/07/530272307.db2.gz JDUPLVDWERRWRJ-UHFFFAOYSA-N 1 2 391.515 -0.016 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@@H](C)C[N@H+]1CCO ZINC000416649586 1073284596 /nfs/dbraw/zinc/28/45/96/1073284596.db2.gz ADECBGGKKQFFCK-NEPJUHHUSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[C@@H](C)C[N@@H+]1CCO ZINC000416649586 1073284592 /nfs/dbraw/zinc/28/45/92/1073284592.db2.gz ADECBGGKKQFFCK-NEPJUHHUSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000416649588 1073284577 /nfs/dbraw/zinc/28/45/77/1073284577.db2.gz ADECBGGKKQFFCK-NWDGAFQWSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000416649588 1073284575 /nfs/dbraw/zinc/28/45/75/1073284575.db2.gz ADECBGGKKQFFCK-NWDGAFQWSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000416649592 1073284899 /nfs/dbraw/zinc/28/48/99/1073284899.db2.gz ADECBGGKKQFFCK-RYUDHWBXSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000416649592 1073284893 /nfs/dbraw/zinc/28/48/93/1073284893.db2.gz ADECBGGKKQFFCK-RYUDHWBXSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000416649595 1073284827 /nfs/dbraw/zinc/28/48/27/1073284827.db2.gz ADECBGGKKQFFCK-VXGBXAGGSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000416649595 1073284824 /nfs/dbraw/zinc/28/48/24/1073284824.db2.gz ADECBGGKKQFFCK-VXGBXAGGSA-N 1 2 381.454 -0.012 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000416650351 1073284643 /nfs/dbraw/zinc/28/46/43/1073284643.db2.gz ARQBPFJFPAACAK-CHWSQXEVSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000416650351 1073284638 /nfs/dbraw/zinc/28/46/38/1073284638.db2.gz ARQBPFJFPAACAK-CHWSQXEVSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)[C@@H](C)C[N@H+]1CCO ZINC000416650352 1073284855 /nfs/dbraw/zinc/28/48/55/1073284855.db2.gz ARQBPFJFPAACAK-OLZOCXBDSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416650352 1073284850 /nfs/dbraw/zinc/28/48/50/1073284850.db2.gz ARQBPFJFPAACAK-OLZOCXBDSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000416650353 1073284944 /nfs/dbraw/zinc/28/49/44/1073284944.db2.gz ARQBPFJFPAACAK-QWHCGFSZSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000416650353 1073284940 /nfs/dbraw/zinc/28/49/40/1073284940.db2.gz ARQBPFJFPAACAK-QWHCGFSZSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000416650354 1073284697 /nfs/dbraw/zinc/28/46/97/1073284697.db2.gz ARQBPFJFPAACAK-STQMWFEESA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000416650354 1073284693 /nfs/dbraw/zinc/28/46/93/1073284693.db2.gz ARQBPFJFPAACAK-STQMWFEESA-N 1 2 380.474 -0.047 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000416653332 530272225 /nfs/dbraw/zinc/27/22/25/530272225.db2.gz UWZNMUZABMGUJM-UHFFFAOYSA-N 1 2 385.552 -0.360 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1 ZINC000416655800 530272286 /nfs/dbraw/zinc/27/22/86/530272286.db2.gz DOBTZWBCSDNROV-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1 ZINC000416655800 530272284 /nfs/dbraw/zinc/27/22/84/530272284.db2.gz DOBTZWBCSDNROV-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1 ZINC000416655801 530272112 /nfs/dbraw/zinc/27/21/12/530272112.db2.gz DOBTZWBCSDNROV-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1 ZINC000416655801 530272110 /nfs/dbraw/zinc/27/21/10/530272110.db2.gz DOBTZWBCSDNROV-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1 ZINC000416655802 530271992 /nfs/dbraw/zinc/27/19/92/530271992.db2.gz DOBTZWBCSDNROV-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1 ZINC000416655802 530271990 /nfs/dbraw/zinc/27/19/90/530271990.db2.gz DOBTZWBCSDNROV-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1 ZINC000416655803 530272278 /nfs/dbraw/zinc/27/22/78/530272278.db2.gz DOBTZWBCSDNROV-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1 ZINC000416655803 530272277 /nfs/dbraw/zinc/27/22/77/530272277.db2.gz DOBTZWBCSDNROV-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416658763 530272354 /nfs/dbraw/zinc/27/23/54/530272354.db2.gz GMCKPWSUVRSXNW-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416658763 530272351 /nfs/dbraw/zinc/27/23/51/530272351.db2.gz GMCKPWSUVRSXNW-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416658764 530272160 /nfs/dbraw/zinc/27/21/60/530272160.db2.gz GMCKPWSUVRSXNW-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416658764 530272158 /nfs/dbraw/zinc/27/21/58/530272158.db2.gz GMCKPWSUVRSXNW-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416658765 530272086 /nfs/dbraw/zinc/27/20/86/530272086.db2.gz GMCKPWSUVRSXNW-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416658765 530272084 /nfs/dbraw/zinc/27/20/84/530272084.db2.gz GMCKPWSUVRSXNW-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416658766 530272206 /nfs/dbraw/zinc/27/22/06/530272206.db2.gz GMCKPWSUVRSXNW-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416658766 530272204 /nfs/dbraw/zinc/27/22/04/530272204.db2.gz GMCKPWSUVRSXNW-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000416660973 530272234 /nfs/dbraw/zinc/27/22/34/530272234.db2.gz JBQGTSKSKPAVOJ-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC000416660973 530272231 /nfs/dbraw/zinc/27/22/31/530272231.db2.gz JBQGTSKSKPAVOJ-CHWSQXEVSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC000416660974 530272243 /nfs/dbraw/zinc/27/22/43/530272243.db2.gz JBQGTSKSKPAVOJ-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC000416660974 530272242 /nfs/dbraw/zinc/27/22/42/530272242.db2.gz JBQGTSKSKPAVOJ-OLZOCXBDSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000416660975 530271982 /nfs/dbraw/zinc/27/19/82/530271982.db2.gz JBQGTSKSKPAVOJ-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC000416660975 530271980 /nfs/dbraw/zinc/27/19/80/530271980.db2.gz JBQGTSKSKPAVOJ-QWHCGFSZSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC000416660976 530272194 /nfs/dbraw/zinc/27/21/94/530272194.db2.gz JBQGTSKSKPAVOJ-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC000416660976 530272192 /nfs/dbraw/zinc/27/21/92/530272192.db2.gz JBQGTSKSKPAVOJ-STQMWFEESA-N 1 2 391.515 -0.330 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000416665485 1073285667 /nfs/dbraw/zinc/28/56/67/1073285667.db2.gz NULCOZNBFVEHCZ-CHWSQXEVSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000416665485 1073285662 /nfs/dbraw/zinc/28/56/62/1073285662.db2.gz NULCOZNBFVEHCZ-CHWSQXEVSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)[C@@H](C)C[N@H+]1CCO ZINC000416665486 1073285407 /nfs/dbraw/zinc/28/54/07/1073285407.db2.gz NULCOZNBFVEHCZ-OLZOCXBDSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)[C@@H](C)C[N@@H+]1CCO ZINC000416665486 1073285404 /nfs/dbraw/zinc/28/54/04/1073285404.db2.gz NULCOZNBFVEHCZ-OLZOCXBDSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000416665487 1073285705 /nfs/dbraw/zinc/28/57/05/1073285705.db2.gz NULCOZNBFVEHCZ-QWHCGFSZSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000416665487 1073285697 /nfs/dbraw/zinc/28/56/97/1073285697.db2.gz NULCOZNBFVEHCZ-QWHCGFSZSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000416665488 1073285628 /nfs/dbraw/zinc/28/56/28/1073285628.db2.gz NULCOZNBFVEHCZ-STQMWFEESA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000416665488 1073285623 /nfs/dbraw/zinc/28/56/23/1073285623.db2.gz NULCOZNBFVEHCZ-STQMWFEESA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@@H](C)C[N@H+]1CCO ZINC000416668362 530272366 /nfs/dbraw/zinc/27/23/66/530272366.db2.gz QVMAVIYFLKTMEQ-NEPJUHHUSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416668362 530272364 /nfs/dbraw/zinc/27/23/64/530272364.db2.gz QVMAVIYFLKTMEQ-NEPJUHHUSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000416668363 530272238 /nfs/dbraw/zinc/27/22/38/530272238.db2.gz QVMAVIYFLKTMEQ-NWDGAFQWSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000416668363 530272237 /nfs/dbraw/zinc/27/22/37/530272237.db2.gz QVMAVIYFLKTMEQ-NWDGAFQWSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000416668364 530272138 /nfs/dbraw/zinc/27/21/38/530272138.db2.gz QVMAVIYFLKTMEQ-RYUDHWBXSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000416668364 530272137 /nfs/dbraw/zinc/27/21/37/530272137.db2.gz QVMAVIYFLKTMEQ-RYUDHWBXSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000416668365 530272332 /nfs/dbraw/zinc/27/23/32/530272332.db2.gz QVMAVIYFLKTMEQ-VXGBXAGGSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000416668365 530272330 /nfs/dbraw/zinc/27/23/30/530272330.db2.gz QVMAVIYFLKTMEQ-VXGBXAGGSA-N 1 2 377.488 -0.590 20 0 GBADLO C[NH+](C)[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1ccco1 ZINC000416806298 1073289322 /nfs/dbraw/zinc/28/93/22/1073289322.db2.gz FOSXMBTVFGBJQV-AWEZNQCLSA-N 1 2 385.490 -0.489 20 0 GBADLO C[NH+](C)[C@H](CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1ccco1 ZINC000416806299 1073289119 /nfs/dbraw/zinc/28/91/19/1073289119.db2.gz FOSXMBTVFGBJQV-CQSZACIVSA-N 1 2 385.490 -0.489 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000416839982 1073289615 /nfs/dbraw/zinc/28/96/15/1073289615.db2.gz AJSAEFQOINFPHZ-UHFFFAOYSA-N 1 2 380.493 0.448 20 0 GBADLO Cc1[nH+]ccn1CCCCNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000417741805 1073316397 /nfs/dbraw/zinc/31/63/97/1073316397.db2.gz VIINJWGRLMZYIG-UHFFFAOYSA-N 1 2 384.506 -0.399 20 0 GBADLO CC(C)(C)c1nc(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n[nH]1 ZINC000418297729 1073330380 /nfs/dbraw/zinc/33/03/80/1073330380.db2.gz UZFMRDSAEXFCBA-UHFFFAOYSA-N 1 2 385.494 -0.769 20 0 GBADLO NS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000419205453 1073813853 /nfs/dbraw/zinc/81/38/53/1073813853.db2.gz KYCXPTCOAFZSAP-CYBMUJFWSA-N 1 2 384.458 -0.868 20 0 GBADLO NS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000419205454 1073813984 /nfs/dbraw/zinc/81/39/84/1073813984.db2.gz KYCXPTCOAFZSAP-ZDUSSCGKSA-N 1 2 384.458 -0.868 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)NCC(=O)OC)C1 ZINC000419341772 1073914369 /nfs/dbraw/zinc/91/43/69/1073914369.db2.gz BDTLAQJXESIEDI-KBPBESRZSA-N 1 2 383.445 -0.458 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)NCC(=O)OC)C1 ZINC000419341772 1073914365 /nfs/dbraw/zinc/91/43/65/1073914365.db2.gz BDTLAQJXESIEDI-KBPBESRZSA-N 1 2 383.445 -0.458 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)NCC(=O)OC)C1 ZINC000419341773 1073913899 /nfs/dbraw/zinc/91/38/99/1073913899.db2.gz BDTLAQJXESIEDI-KGLIPLIRSA-N 1 2 383.445 -0.458 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)NCC(=O)OC)C1 ZINC000419341773 1073913892 /nfs/dbraw/zinc/91/38/92/1073913892.db2.gz BDTLAQJXESIEDI-KGLIPLIRSA-N 1 2 383.445 -0.458 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)C1 ZINC000419341774 1073913834 /nfs/dbraw/zinc/91/38/34/1073913834.db2.gz BDTLAQJXESIEDI-UONOGXRCSA-N 1 2 383.445 -0.458 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)C1 ZINC000419341774 1073913829 /nfs/dbraw/zinc/91/38/29/1073913829.db2.gz BDTLAQJXESIEDI-UONOGXRCSA-N 1 2 383.445 -0.458 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)C1 ZINC000419341775 1073913866 /nfs/dbraw/zinc/91/38/66/1073913866.db2.gz BDTLAQJXESIEDI-ZIAGYGMSSA-N 1 2 383.445 -0.458 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)C1 ZINC000419341775 1073913862 /nfs/dbraw/zinc/91/38/62/1073913862.db2.gz BDTLAQJXESIEDI-ZIAGYGMSSA-N 1 2 383.445 -0.458 20 0 GBADLO Cc1nn(C)c2nccc(N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c12 ZINC000420589173 1072290178 /nfs/dbraw/zinc/29/01/78/1072290178.db2.gz SXOXEAGNBDNDGP-UHFFFAOYSA-N 1 2 393.517 -0.109 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000420593353 1072292927 /nfs/dbraw/zinc/29/29/27/1072292927.db2.gz BOILJJOZVSWZHB-UHFFFAOYSA-N 1 2 393.440 -0.163 20 0 GBADLO CNc1nc(N2C[C@H](CO)OC(C)(C)C2)[nH+]c(N2C[C@H](CO)OC(C)(C)C2)n1 ZINC000420608157 1072291627 /nfs/dbraw/zinc/29/16/27/1072291627.db2.gz FXIHXNMGDCDVGP-CHWSQXEVSA-N 1 2 396.492 -0.713 20 0 GBADLO CNc1nc(N2C[C@@H](CO)OC(C)(C)C2)[nH+]c(N2C[C@@H](CO)OC(C)(C)C2)n1 ZINC000420608158 1072291676 /nfs/dbraw/zinc/29/16/76/1072291676.db2.gz FXIHXNMGDCDVGP-STQMWFEESA-N 1 2 396.492 -0.713 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCCn2nc(C)cc2C)CC1 ZINC000420696609 1072296151 /nfs/dbraw/zinc/29/61/51/1072296151.db2.gz HHJMOASQQFJWKH-UHFFFAOYSA-N 1 2 395.504 -0.188 20 0 GBADLO CC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000420764930 1072300363 /nfs/dbraw/zinc/30/03/63/1072300363.db2.gz DKOBHQVUUYWIFJ-MSOLQXFVSA-N 1 2 388.468 -0.259 20 0 GBADLO CC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000420764930 1072300360 /nfs/dbraw/zinc/30/03/60/1072300360.db2.gz DKOBHQVUUYWIFJ-MSOLQXFVSA-N 1 2 388.468 -0.259 20 0 GBADLO CC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000420764933 1072300862 /nfs/dbraw/zinc/30/08/62/1072300862.db2.gz DKOBHQVUUYWIFJ-QZTJIDSGSA-N 1 2 388.468 -0.259 20 0 GBADLO CC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000420764933 1072300856 /nfs/dbraw/zinc/30/08/56/1072300856.db2.gz DKOBHQVUUYWIFJ-QZTJIDSGSA-N 1 2 388.468 -0.259 20 0 GBADLO CC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000420764936 1072300562 /nfs/dbraw/zinc/30/05/62/1072300562.db2.gz DKOBHQVUUYWIFJ-ROUUACIJSA-N 1 2 388.468 -0.259 20 0 GBADLO CC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000420764936 1072300549 /nfs/dbraw/zinc/30/05/49/1072300549.db2.gz DKOBHQVUUYWIFJ-ROUUACIJSA-N 1 2 388.468 -0.259 20 0 GBADLO CC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000420764938 1072300723 /nfs/dbraw/zinc/30/07/23/1072300723.db2.gz DKOBHQVUUYWIFJ-ZWKOTPCHSA-N 1 2 388.468 -0.259 20 0 GBADLO CC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000420764938 1072300714 /nfs/dbraw/zinc/30/07/14/1072300714.db2.gz DKOBHQVUUYWIFJ-ZWKOTPCHSA-N 1 2 388.468 -0.259 20 0 GBADLO CNC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000420772883 1072299657 /nfs/dbraw/zinc/29/96/57/1072299657.db2.gz PAMLYPSXVGMCOA-DLBZAZTESA-N 1 2 388.468 -0.402 20 0 GBADLO CNC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000420772883 1072299642 /nfs/dbraw/zinc/29/96/42/1072299642.db2.gz PAMLYPSXVGMCOA-DLBZAZTESA-N 1 2 388.468 -0.402 20 0 GBADLO CNC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000420772885 1072299698 /nfs/dbraw/zinc/29/96/98/1072299698.db2.gz PAMLYPSXVGMCOA-IAGOWNOFSA-N 1 2 388.468 -0.402 20 0 GBADLO CNC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000420772885 1072299692 /nfs/dbraw/zinc/29/96/92/1072299692.db2.gz PAMLYPSXVGMCOA-IAGOWNOFSA-N 1 2 388.468 -0.402 20 0 GBADLO CNC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000420772887 1072299875 /nfs/dbraw/zinc/29/98/75/1072299875.db2.gz PAMLYPSXVGMCOA-IRXDYDNUSA-N 1 2 388.468 -0.402 20 0 GBADLO CNC(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000420772887 1072299871 /nfs/dbraw/zinc/29/98/71/1072299871.db2.gz PAMLYPSXVGMCOA-IRXDYDNUSA-N 1 2 388.468 -0.402 20 0 GBADLO CNC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000420772891 1072299734 /nfs/dbraw/zinc/29/97/34/1072299734.db2.gz PAMLYPSXVGMCOA-SJORKVTESA-N 1 2 388.468 -0.402 20 0 GBADLO CNC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000420772891 1072299725 /nfs/dbraw/zinc/29/97/25/1072299725.db2.gz PAMLYPSXVGMCOA-SJORKVTESA-N 1 2 388.468 -0.402 20 0 GBADLO C[C@H](O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000420772971 1072299265 /nfs/dbraw/zinc/29/92/65/1072299265.db2.gz PCVFXQFMXYIILB-CGTJXYLNSA-N 1 2 391.468 -0.388 20 0 GBADLO C[C@H](O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000420772971 1072299260 /nfs/dbraw/zinc/29/92/60/1072299260.db2.gz PCVFXQFMXYIILB-CGTJXYLNSA-N 1 2 391.468 -0.388 20 0 GBADLO C[C@H](O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000420772972 1072299767 /nfs/dbraw/zinc/29/97/67/1072299767.db2.gz PCVFXQFMXYIILB-JQHSSLGASA-N 1 2 391.468 -0.388 20 0 GBADLO C[C@H](O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000420772972 1072299763 /nfs/dbraw/zinc/29/97/63/1072299763.db2.gz PCVFXQFMXYIILB-JQHSSLGASA-N 1 2 391.468 -0.388 20 0 GBADLO C[C@H](O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000420772973 1072299453 /nfs/dbraw/zinc/29/94/53/1072299453.db2.gz PCVFXQFMXYIILB-RYQLBKOJSA-N 1 2 391.468 -0.388 20 0 GBADLO C[C@H](O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000420772973 1072299437 /nfs/dbraw/zinc/29/94/37/1072299437.db2.gz PCVFXQFMXYIILB-RYQLBKOJSA-N 1 2 391.468 -0.388 20 0 GBADLO C[C@H](O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000420772974 1072299751 /nfs/dbraw/zinc/29/97/51/1072299751.db2.gz PCVFXQFMXYIILB-SZMVWBNQSA-N 1 2 391.468 -0.388 20 0 GBADLO C[C@H](O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000420772974 1072299748 /nfs/dbraw/zinc/29/97/48/1072299748.db2.gz PCVFXQFMXYIILB-SZMVWBNQSA-N 1 2 391.468 -0.388 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCOc2ccccc2)CC1 ZINC000420775269 1072299419 /nfs/dbraw/zinc/29/94/19/1072299419.db2.gz DKZYLFRFIPFHLM-UHFFFAOYSA-N 1 2 379.457 -0.013 20 0 GBADLO Cc1cc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc(C)[nH+]1 ZINC000420851392 1072301471 /nfs/dbraw/zinc/30/14/71/1072301471.db2.gz QWXGZLLVDYRGCG-UHFFFAOYSA-N 1 2 389.456 -0.089 20 0 GBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420940702 1072304684 /nfs/dbraw/zinc/30/46/84/1072304684.db2.gz OOGGKYKRTGQACC-DZGCQCFKSA-N 1 2 399.513 -0.147 20 0 GBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420940702 1072304678 /nfs/dbraw/zinc/30/46/78/1072304678.db2.gz OOGGKYKRTGQACC-DZGCQCFKSA-N 1 2 399.513 -0.147 20 0 GBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420940704 1072304844 /nfs/dbraw/zinc/30/48/44/1072304844.db2.gz OOGGKYKRTGQACC-HIFRSBDPSA-N 1 2 399.513 -0.147 20 0 GBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420940704 1072304835 /nfs/dbraw/zinc/30/48/35/1072304835.db2.gz OOGGKYKRTGQACC-HIFRSBDPSA-N 1 2 399.513 -0.147 20 0 GBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420940707 1072305196 /nfs/dbraw/zinc/30/51/96/1072305196.db2.gz OOGGKYKRTGQACC-UKRRQHHQSA-N 1 2 399.513 -0.147 20 0 GBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420940707 1072305190 /nfs/dbraw/zinc/30/51/90/1072305190.db2.gz OOGGKYKRTGQACC-UKRRQHHQSA-N 1 2 399.513 -0.147 20 0 GBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420940710 1072305172 /nfs/dbraw/zinc/30/51/72/1072305172.db2.gz OOGGKYKRTGQACC-ZFWWWQNUSA-N 1 2 399.513 -0.147 20 0 GBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420940710 1072305162 /nfs/dbraw/zinc/30/51/62/1072305162.db2.gz OOGGKYKRTGQACC-ZFWWWQNUSA-N 1 2 399.513 -0.147 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1C[C@@H](CO)OC(C)(C)C1)S(C)(=O)=O ZINC000420940732 530350815 /nfs/dbraw/zinc/35/08/15/530350815.db2.gz OPEBQEUAYBSYIX-AWEZNQCLSA-N 1 2 379.523 -0.366 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1)S(C)(=O)=O ZINC000420940732 530350812 /nfs/dbraw/zinc/35/08/12/530350812.db2.gz OPEBQEUAYBSYIX-AWEZNQCLSA-N 1 2 379.523 -0.366 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1C[C@H](CO)OC(C)(C)C1)S(C)(=O)=O ZINC000420940739 530351013 /nfs/dbraw/zinc/35/10/13/530351013.db2.gz OPEBQEUAYBSYIX-CQSZACIVSA-N 1 2 379.523 -0.366 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1)S(C)(=O)=O ZINC000420940739 530351010 /nfs/dbraw/zinc/35/10/10/530351010.db2.gz OPEBQEUAYBSYIX-CQSZACIVSA-N 1 2 379.523 -0.366 20 0 GBADLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](CC)O1 ZINC000420947765 1072535284 /nfs/dbraw/zinc/53/52/84/1072535284.db2.gz CXTBTKNBXZUKMJ-HDICACEKSA-N 1 2 396.532 -0.121 20 0 GBADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](CC)O1 ZINC000420947765 1072535282 /nfs/dbraw/zinc/53/52/82/1072535282.db2.gz CXTBTKNBXZUKMJ-HDICACEKSA-N 1 2 396.532 -0.121 20 0 GBADLO CC[C@@H]1C[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](CC)O1 ZINC000420947766 1072535439 /nfs/dbraw/zinc/53/54/39/1072535439.db2.gz CXTBTKNBXZUKMJ-QZTJIDSGSA-N 1 2 396.532 -0.121 20 0 GBADLO CC[C@H]1C[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](CC)O1 ZINC000420947767 1072535184 /nfs/dbraw/zinc/53/51/84/1072535184.db2.gz CXTBTKNBXZUKMJ-ROUUACIJSA-N 1 2 396.532 -0.121 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2cn3ccsc3n2)CC1 ZINC000421030985 1072308483 /nfs/dbraw/zinc/30/84/83/1072308483.db2.gz ZIGQHBVWSXESQP-UHFFFAOYSA-N 1 2 395.485 -0.182 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2ccc(OC)nc2)CC1 ZINC000421143822 1072318712 /nfs/dbraw/zinc/31/87/12/1072318712.db2.gz LIHWAIOJTAIUFL-UHFFFAOYSA-N 1 2 380.445 -0.488 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)[NH+]1CCOCC1 ZINC000421194165 1072321032 /nfs/dbraw/zinc/32/10/32/1072321032.db2.gz AXPNPZMFWUCKRV-KBPBESRZSA-N 1 2 376.448 -0.085 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)[NH+]1CCOCC1 ZINC000421194169 1072320426 /nfs/dbraw/zinc/32/04/26/1072320426.db2.gz AXPNPZMFWUCKRV-KGLIPLIRSA-N 1 2 376.448 -0.085 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)[NH+]1CCOCC1 ZINC000421194173 1072321255 /nfs/dbraw/zinc/32/12/55/1072321255.db2.gz AXPNPZMFWUCKRV-UONOGXRCSA-N 1 2 376.448 -0.085 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)[NH+]1CCOCC1 ZINC000421194175 1072321130 /nfs/dbraw/zinc/32/11/30/1072321130.db2.gz AXPNPZMFWUCKRV-ZIAGYGMSSA-N 1 2 376.448 -0.085 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000421205595 1072320353 /nfs/dbraw/zinc/32/03/53/1072320353.db2.gz SWHWADHUPPBCIT-CVEARBPZSA-N 1 2 382.505 -0.166 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000421205596 1072320939 /nfs/dbraw/zinc/32/09/39/1072320939.db2.gz SWHWADHUPPBCIT-HOTGVXAUSA-N 1 2 382.505 -0.166 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000421205598 1072320332 /nfs/dbraw/zinc/32/03/32/1072320332.db2.gz SWHWADHUPPBCIT-HZPDHXFCSA-N 1 2 382.505 -0.166 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000421205599 1072320915 /nfs/dbraw/zinc/32/09/15/1072320915.db2.gz SWHWADHUPPBCIT-JKSUJKDBSA-N 1 2 382.505 -0.166 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCc2csc(C)n2)CC1 ZINC000421212117 1072321068 /nfs/dbraw/zinc/32/10/68/1072321068.db2.gz WSDKBDFLRQCZHH-UHFFFAOYSA-N 1 2 384.502 -0.084 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2C)[NH+]1CCOCC1 ZINC000421214845 1072320652 /nfs/dbraw/zinc/32/06/52/1072320652.db2.gz CLFNUSJYJLEIFX-BBWFWOEESA-N 1 2 382.505 -0.609 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H]2[C@H](C1)OCCN2C)[NH+]1CCOCC1 ZINC000421214851 1072320483 /nfs/dbraw/zinc/32/04/83/1072320483.db2.gz CLFNUSJYJLEIFX-ZACQAIPSSA-N 1 2 382.505 -0.609 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)[NH+]1CCOCC1 ZINC000421226420 1072321797 /nfs/dbraw/zinc/32/17/97/1072321797.db2.gz OJMYWLRYEQXVJG-CVEARBPZSA-N 1 2 385.505 -0.152 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)[NH+]1CCOCC1 ZINC000421226421 1072321946 /nfs/dbraw/zinc/32/19/46/1072321946.db2.gz OJMYWLRYEQXVJG-HOTGVXAUSA-N 1 2 385.505 -0.152 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)[NH+]1CCOCC1 ZINC000421226423 1072321771 /nfs/dbraw/zinc/32/17/71/1072321771.db2.gz OJMYWLRYEQXVJG-HZPDHXFCSA-N 1 2 385.505 -0.152 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)[NH+]1CCOCC1 ZINC000421226424 1072321707 /nfs/dbraw/zinc/32/17/07/1072321707.db2.gz OJMYWLRYEQXVJG-JKSUJKDBSA-N 1 2 385.505 -0.152 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2ccnc(OC)c2)CC1 ZINC000421232538 1072322097 /nfs/dbraw/zinc/32/20/97/1072322097.db2.gz YJLAUTXYRXJSSU-UHFFFAOYSA-N 1 2 380.445 -0.488 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](CC)O1 ZINC000421266993 1072324040 /nfs/dbraw/zinc/32/40/40/1072324040.db2.gz KOUHNDABYNFFIT-HOTGVXAUSA-N 1 2 393.488 0.570 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H](CC)O1 ZINC000421266994 1072322642 /nfs/dbraw/zinc/32/26/42/1072322642.db2.gz KOUHNDABYNFFIT-HZPDHXFCSA-N 1 2 393.488 0.570 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](CC)O1 ZINC000421266995 1072322556 /nfs/dbraw/zinc/32/25/56/1072322556.db2.gz KOUHNDABYNFFIT-IYBDPMFKSA-N 1 2 393.488 0.570 20 0 GBADLO CC(C)N(C[C@@H](O)CO)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000421307234 1072323389 /nfs/dbraw/zinc/32/33/89/1072323389.db2.gz OROBDYFYDUWGMI-GOSISDBHSA-N 1 2 392.500 -0.037 20 0 GBADLO CC(C)N(C[C@H](O)CO)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000421307237 1072324759 /nfs/dbraw/zinc/32/47/59/1072324759.db2.gz OROBDYFYDUWGMI-SFHVURJKSA-N 1 2 392.500 -0.037 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2cccnc2OC)CC1 ZINC000421405598 1072328617 /nfs/dbraw/zinc/32/86/17/1072328617.db2.gz IGDCTAYPKRGVSV-UHFFFAOYSA-N 1 2 380.445 -0.488 20 0 GBADLO CCOc1ncccc1CNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000421407862 1072328481 /nfs/dbraw/zinc/32/84/81/1072328481.db2.gz MWKNRJKHOCYDMA-UHFFFAOYSA-N 1 2 394.472 -0.098 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2ccc(OC)c(O)c2)CC1 ZINC000421422888 1072328076 /nfs/dbraw/zinc/32/80/76/1072328076.db2.gz WDQDQGDMFVBRLM-UHFFFAOYSA-N 1 2 395.456 -0.177 20 0 GBADLO CCCN1C[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000421926102 1072344828 /nfs/dbraw/zinc/34/48/28/1072344828.db2.gz WTLOHFIWPWOGEG-CVEARBPZSA-N 1 2 380.489 -0.458 20 0 GBADLO CCCN1C[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000421926105 1072344219 /nfs/dbraw/zinc/34/42/19/1072344219.db2.gz WTLOHFIWPWOGEG-HOTGVXAUSA-N 1 2 380.489 -0.458 20 0 GBADLO CCCN1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000421926106 1072344340 /nfs/dbraw/zinc/34/43/40/1072344340.db2.gz WTLOHFIWPWOGEG-HZPDHXFCSA-N 1 2 380.489 -0.458 20 0 GBADLO CCCN1C[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000421926107 1072344247 /nfs/dbraw/zinc/34/42/47/1072344247.db2.gz WTLOHFIWPWOGEG-JKSUJKDBSA-N 1 2 380.489 -0.458 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)Cn2cccn2)CC1 ZINC000422086513 1072350185 /nfs/dbraw/zinc/35/01/85/1072350185.db2.gz OSICPRIJUNCDRM-HNNXBMFYSA-N 1 2 381.477 -0.559 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)Cn2cccn2)CC1 ZINC000422086514 1072349734 /nfs/dbraw/zinc/34/97/34/1072349734.db2.gz OSICPRIJUNCDRM-OAHLLOKOSA-N 1 2 381.477 -0.559 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2cnn(C)c2C)CC1 ZINC000422089430 1072350434 /nfs/dbraw/zinc/35/04/34/1072350434.db2.gz IDWMGSNQUMZDNC-CYBMUJFWSA-N 1 2 381.477 -0.289 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2cnn(C)c2C)CC1 ZINC000422089437 1072350163 /nfs/dbraw/zinc/35/01/63/1072350163.db2.gz IDWMGSNQUMZDNC-ZDUSSCGKSA-N 1 2 381.477 -0.289 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](CO)C[C@H](C)C2)CC1 ZINC000422091372 1072349872 /nfs/dbraw/zinc/34/98/72/1072349872.db2.gz CAUAJILONDHRTH-DLBZAZTESA-N 1 2 396.532 -0.134 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](CO)C[C@H](C)C2)CC1 ZINC000422091372 1072349861 /nfs/dbraw/zinc/34/98/61/1072349861.db2.gz CAUAJILONDHRTH-DLBZAZTESA-N 1 2 396.532 -0.134 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](CO)C2)CC1 ZINC000422091377 1072350882 /nfs/dbraw/zinc/35/08/82/1072350882.db2.gz CAUAJILONDHRTH-IAGOWNOFSA-N 1 2 396.532 -0.134 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](CO)C2)CC1 ZINC000422091377 1072350871 /nfs/dbraw/zinc/35/08/71/1072350871.db2.gz CAUAJILONDHRTH-IAGOWNOFSA-N 1 2 396.532 -0.134 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](CO)C2)CC1 ZINC000422091378 1072351158 /nfs/dbraw/zinc/35/11/58/1072351158.db2.gz CAUAJILONDHRTH-IRXDYDNUSA-N 1 2 396.532 -0.134 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)C[C@H](CO)C2)CC1 ZINC000422091378 1072351153 /nfs/dbraw/zinc/35/11/53/1072351153.db2.gz CAUAJILONDHRTH-IRXDYDNUSA-N 1 2 396.532 -0.134 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)C[C@H](CO)C2)CC1 ZINC000422091379 1072351244 /nfs/dbraw/zinc/35/12/44/1072351244.db2.gz CAUAJILONDHRTH-SJORKVTESA-N 1 2 396.532 -0.134 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)C[C@H](CO)C2)CC1 ZINC000422091379 1072351239 /nfs/dbraw/zinc/35/12/39/1072351239.db2.gz CAUAJILONDHRTH-SJORKVTESA-N 1 2 396.532 -0.134 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3C[C@@H](CO)OC(C)(C)C3)CC2)cc[nH+]1 ZINC000422102019 1072348895 /nfs/dbraw/zinc/34/88/95/1072348895.db2.gz FIPQHSKACRTYJH-AWEZNQCLSA-N 1 2 377.445 -0.568 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3C[C@H](CO)OC(C)(C)C3)CC2)cc[nH+]1 ZINC000422102020 1072349142 /nfs/dbraw/zinc/34/91/42/1072349142.db2.gz FIPQHSKACRTYJH-CQSZACIVSA-N 1 2 377.445 -0.568 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCc3c2cnn3C)CC1 ZINC000422108542 1072351803 /nfs/dbraw/zinc/35/18/03/1072351803.db2.gz XNUJGPBWWLYTOT-INIZCTEOSA-N 1 2 393.488 -0.281 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCc3c2cnn3C)CC1 ZINC000422108545 1072352028 /nfs/dbraw/zinc/35/20/28/1072352028.db2.gz XNUJGPBWWLYTOT-MRXNPFEDSA-N 1 2 393.488 -0.281 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2)[C@@H](C)C1 ZINC000422124734 1072350809 /nfs/dbraw/zinc/35/08/09/1072350809.db2.gz ZLGIVTQHGZVPPK-KBPBESRZSA-N 1 2 385.461 -0.920 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2)[C@@H](C)C1 ZINC000422124734 1072350800 /nfs/dbraw/zinc/35/08/00/1072350800.db2.gz ZLGIVTQHGZVPPK-KBPBESRZSA-N 1 2 385.461 -0.920 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2)[C@H](C)C1 ZINC000422124736 1072351265 /nfs/dbraw/zinc/35/12/65/1072351265.db2.gz ZLGIVTQHGZVPPK-KGLIPLIRSA-N 1 2 385.461 -0.920 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2)[C@H](C)C1 ZINC000422124736 1072351258 /nfs/dbraw/zinc/35/12/58/1072351258.db2.gz ZLGIVTQHGZVPPK-KGLIPLIRSA-N 1 2 385.461 -0.920 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2C[C@H](CO)OC(C)(C)C2)[C@@H](C)C1 ZINC000422124738 1072351218 /nfs/dbraw/zinc/35/12/18/1072351218.db2.gz ZLGIVTQHGZVPPK-UONOGXRCSA-N 1 2 385.461 -0.920 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@H](CO)OC(C)(C)C2)[C@@H](C)C1 ZINC000422124738 1072351214 /nfs/dbraw/zinc/35/12/14/1072351214.db2.gz ZLGIVTQHGZVPPK-UONOGXRCSA-N 1 2 385.461 -0.920 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2C[C@H](CO)OC(C)(C)C2)[C@H](C)C1 ZINC000422124739 1072351118 /nfs/dbraw/zinc/35/11/18/1072351118.db2.gz ZLGIVTQHGZVPPK-ZIAGYGMSSA-N 1 2 385.461 -0.920 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@H](CO)OC(C)(C)C2)[C@H](C)C1 ZINC000422124739 1072351113 /nfs/dbraw/zinc/35/11/13/1072351113.db2.gz ZLGIVTQHGZVPPK-ZIAGYGMSSA-N 1 2 385.461 -0.920 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2cn(C)nc2C)CC1 ZINC000422135630 1072356155 /nfs/dbraw/zinc/35/61/55/1072356155.db2.gz NRDRQOIXCNVFGX-CYBMUJFWSA-N 1 2 381.477 -0.289 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2cn(C)nc2C)CC1 ZINC000422135632 1072356273 /nfs/dbraw/zinc/35/62/73/1072356273.db2.gz NRDRQOIXCNVFGX-ZDUSSCGKSA-N 1 2 381.477 -0.289 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2cccc3c2OCO3)CC1 ZINC000422142775 1072356196 /nfs/dbraw/zinc/35/61/96/1072356196.db2.gz XSOPMJLIPCYEFO-UHFFFAOYSA-N 1 2 393.440 -0.163 20 0 GBADLO CC(C)N(C[C@H](O)CO)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422148234 1072357084 /nfs/dbraw/zinc/35/70/84/1072357084.db2.gz BKXINHMVKDVNQY-INIZCTEOSA-N 1 2 393.488 -0.107 20 0 GBADLO CC(C)N(C[C@@H](O)CO)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422148241 1072357127 /nfs/dbraw/zinc/35/71/27/1072357127.db2.gz BKXINHMVKDVNQY-MRXNPFEDSA-N 1 2 393.488 -0.107 20 0 GBADLO CC1(C)CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H](CO)O1 ZINC000422171311 1072357609 /nfs/dbraw/zinc/35/76/09/1072357609.db2.gz MXXHYBMBFYNDMQ-HNNXBMFYSA-N 1 2 378.477 -0.220 20 0 GBADLO CC1(C)CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](CO)O1 ZINC000422171312 1072357771 /nfs/dbraw/zinc/35/77/71/1072357771.db2.gz MXXHYBMBFYNDMQ-OAHLLOKOSA-N 1 2 378.477 -0.220 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2cccc(OC)n2)CC1 ZINC000422280238 1072434988 /nfs/dbraw/zinc/43/49/88/1072434988.db2.gz UYPXEIKAWCFWFF-UHFFFAOYSA-N 1 2 380.445 -0.488 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCNC(=O)C(C)(C)C)CC1 ZINC000422280751 1072435027 /nfs/dbraw/zinc/43/50/27/1072435027.db2.gz ALHZPNJRCBFWST-UHFFFAOYSA-N 1 2 386.493 -0.930 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCCN2CCCCC2=O)CC1 ZINC000422290647 1072435679 /nfs/dbraw/zinc/43/56/79/1072435679.db2.gz BIUAAKMUSILUSH-UHFFFAOYSA-N 1 2 398.504 -0.689 20 0 GBADLO CC(C)(C)OC(=O)CCNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422299859 1072437976 /nfs/dbraw/zinc/43/79/76/1072437976.db2.gz NEXWIXLPJJXCAO-UHFFFAOYSA-N 1 2 399.488 -0.168 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCc2cccc(C)n2)CC1 ZINC000422308105 1072763043 /nfs/dbraw/zinc/76/30/43/1072763043.db2.gz IAWRGJXKQPWNAJ-UHFFFAOYSA-N 1 2 378.473 -0.146 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000422315636 1072438659 /nfs/dbraw/zinc/43/86/59/1072438659.db2.gz ATPQLDRDXAUEOX-HNNXBMFYSA-N 1 2 379.461 -0.291 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000422315637 1072439589 /nfs/dbraw/zinc/43/95/89/1072439589.db2.gz ATPQLDRDXAUEOX-OAHLLOKOSA-N 1 2 379.461 -0.291 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCc2ccncc2C)CC1 ZINC000422317434 1072439647 /nfs/dbraw/zinc/43/96/47/1072439647.db2.gz FSYDKEMQYBKMBV-UHFFFAOYSA-N 1 2 378.473 -0.146 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCCc2ccccn2)CC1 ZINC000422331783 1072440897 /nfs/dbraw/zinc/44/08/97/1072440897.db2.gz AAXGGWMCYICWGF-UHFFFAOYSA-N 1 2 378.473 -0.064 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000422332925 1072441375 /nfs/dbraw/zinc/44/13/75/1072441375.db2.gz BRTRVBZZFQNBJC-CVEARBPZSA-N 1 2 396.488 -0.938 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000422332927 1072440958 /nfs/dbraw/zinc/44/09/58/1072440958.db2.gz BRTRVBZZFQNBJC-HOTGVXAUSA-N 1 2 396.488 -0.938 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000422332928 1072441113 /nfs/dbraw/zinc/44/11/13/1072441113.db2.gz BRTRVBZZFQNBJC-HZPDHXFCSA-N 1 2 396.488 -0.938 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000422332929 1072441490 /nfs/dbraw/zinc/44/14/90/1072441490.db2.gz BRTRVBZZFQNBJC-JKSUJKDBSA-N 1 2 396.488 -0.938 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2ccc(OC)cn2)CC1 ZINC000422336078 1072442075 /nfs/dbraw/zinc/44/20/75/1072442075.db2.gz JGKNZBGGNSZBIZ-UHFFFAOYSA-N 1 2 380.445 -0.488 20 0 GBADLO COCC(COC)N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000422336852 1072441900 /nfs/dbraw/zinc/44/19/00/1072441900.db2.gz SSPOETPOMXDSDX-UHFFFAOYSA-N 1 2 389.456 -0.244 20 0 GBADLO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422339438 1072442154 /nfs/dbraw/zinc/44/21/54/1072442154.db2.gz LPLNQDMRYDHWNH-CVEARBPZSA-N 1 2 387.477 -0.898 20 0 GBADLO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422339439 1072441958 /nfs/dbraw/zinc/44/19/58/1072441958.db2.gz LPLNQDMRYDHWNH-HOTGVXAUSA-N 1 2 387.477 -0.898 20 0 GBADLO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422339440 1072442000 /nfs/dbraw/zinc/44/20/00/1072442000.db2.gz LPLNQDMRYDHWNH-HZPDHXFCSA-N 1 2 387.477 -0.898 20 0 GBADLO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422339441 1072442058 /nfs/dbraw/zinc/44/20/58/1072442058.db2.gz LPLNQDMRYDHWNH-JKSUJKDBSA-N 1 2 387.477 -0.898 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](COC)c2ccco2)CC1 ZINC000422340647 1072442204 /nfs/dbraw/zinc/44/22/04/1072442204.db2.gz PLFIPYBEHSMLHQ-HNNXBMFYSA-N 1 2 383.445 -0.111 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](COC)c2ccco2)CC1 ZINC000422340648 1072441922 /nfs/dbraw/zinc/44/19/22/1072441922.db2.gz PLFIPYBEHSMLHQ-OAHLLOKOSA-N 1 2 383.445 -0.111 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000422341869 1072442187 /nfs/dbraw/zinc/44/21/87/1072442187.db2.gz PPVJIVPKPUQJHN-ARFHVFGLSA-N 1 2 383.489 -0.278 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000422341873 1072442196 /nfs/dbraw/zinc/44/21/96/1072442196.db2.gz PPVJIVPKPUQJHN-BZUAXINKSA-N 1 2 383.489 -0.278 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000422341875 1072441995 /nfs/dbraw/zinc/44/19/95/1072441995.db2.gz PPVJIVPKPUQJHN-OAGGEKHMSA-N 1 2 383.489 -0.278 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000422341877 1072442162 /nfs/dbraw/zinc/44/21/62/1072442162.db2.gz PPVJIVPKPUQJHN-XHSDSOJGSA-N 1 2 383.489 -0.278 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccncc2)CC1 ZINC000422355820 1072444664 /nfs/dbraw/zinc/44/46/64/1072444664.db2.gz SMIBVXKUAQTXRZ-HNNXBMFYSA-N 1 2 378.473 -0.066 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)Cc2ccncc2)CC1 ZINC000422355821 1072444618 /nfs/dbraw/zinc/44/46/18/1072444618.db2.gz SMIBVXKUAQTXRZ-OAHLLOKOSA-N 1 2 378.473 -0.066 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCc2cccc(OC)n2)CC1 ZINC000422367351 1072443623 /nfs/dbraw/zinc/44/36/23/1072443623.db2.gz NBLRZUDNUJUCNY-UHFFFAOYSA-N 1 2 394.472 -0.446 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)CO[C@@H]2CCOC2)CC1 ZINC000422382732 1072446499 /nfs/dbraw/zinc/44/64/99/1072446499.db2.gz DHGOPXDEFRNYQZ-GDBMZVCRSA-N 1 2 387.477 -0.898 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)CO[C@@H]2CCOC2)CC1 ZINC000422382733 1072446266 /nfs/dbraw/zinc/44/62/66/1072446266.db2.gz DHGOPXDEFRNYQZ-GOEBONIOSA-N 1 2 387.477 -0.898 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)CO[C@H]2CCOC2)CC1 ZINC000422382734 1072446408 /nfs/dbraw/zinc/44/64/08/1072446408.db2.gz DHGOPXDEFRNYQZ-HOCLYGCPSA-N 1 2 387.477 -0.898 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)CO[C@H]2CCOC2)CC1 ZINC000422382735 1072446348 /nfs/dbraw/zinc/44/63/48/1072446348.db2.gz DHGOPXDEFRNYQZ-ZBFHGGJFSA-N 1 2 387.477 -0.898 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2cccc(N(C)C)n2)CC1 ZINC000422400806 1072445644 /nfs/dbraw/zinc/44/56/44/1072445644.db2.gz RQVJYYBKGWVPBV-UHFFFAOYSA-N 1 2 393.488 -0.431 20 0 GBADLO CO[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1(C)C ZINC000422409990 1072449424 /nfs/dbraw/zinc/44/94/24/1072449424.db2.gz PODYJYGMMLUMOR-CABCVRRESA-N 1 2 383.489 -0.086 20 0 GBADLO CO[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1(C)C ZINC000422409994 1072449632 /nfs/dbraw/zinc/44/96/32/1072449632.db2.gz PODYJYGMMLUMOR-GJZGRUSLSA-N 1 2 383.489 -0.086 20 0 GBADLO CO[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1(C)C ZINC000422409997 1072449725 /nfs/dbraw/zinc/44/97/25/1072449725.db2.gz PODYJYGMMLUMOR-HUUCEWRRSA-N 1 2 383.489 -0.086 20 0 GBADLO CO[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1(C)C ZINC000422410000 1072449307 /nfs/dbraw/zinc/44/93/07/1072449307.db2.gz PODYJYGMMLUMOR-LSDHHAIUSA-N 1 2 383.489 -0.086 20 0 GBADLO CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422414696 1072449470 /nfs/dbraw/zinc/44/94/70/1072449470.db2.gz SZTHIMXSTCQHNS-UHFFFAOYSA-N 1 2 386.493 -0.930 20 0 GBADLO CCc1nn(C)cc1CNC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422426695 1072448647 /nfs/dbraw/zinc/44/86/47/1072448647.db2.gz OLJFESABLCEEOW-UHFFFAOYSA-N 1 2 381.477 -0.596 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000422427033 1072448882 /nfs/dbraw/zinc/44/88/82/1072448882.db2.gz OUEQETASKKNUCT-BBWFWOEESA-N 1 2 395.500 -0.134 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000422427036 1072448857 /nfs/dbraw/zinc/44/88/57/1072448857.db2.gz OUEQETASKKNUCT-BRWVUGGUSA-N 1 2 395.500 -0.134 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000422427038 1072448896 /nfs/dbraw/zinc/44/88/96/1072448896.db2.gz OUEQETASKKNUCT-GVDBMIGSSA-N 1 2 395.500 -0.134 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000422427042 1072448573 /nfs/dbraw/zinc/44/85/73/1072448573.db2.gz OUEQETASKKNUCT-ZACQAIPSSA-N 1 2 395.500 -0.134 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000422430511 1072451449 /nfs/dbraw/zinc/45/14/49/1072451449.db2.gz UKUIWYHXSARCEJ-BBWFWOEESA-N 1 2 383.489 -0.134 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000422430514 1072451361 /nfs/dbraw/zinc/45/13/61/1072451361.db2.gz UKUIWYHXSARCEJ-BRWVUGGUSA-N 1 2 383.489 -0.134 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000422430516 1072451302 /nfs/dbraw/zinc/45/13/02/1072451302.db2.gz UKUIWYHXSARCEJ-GVDBMIGSSA-N 1 2 383.489 -0.134 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000422430519 1072451379 /nfs/dbraw/zinc/45/13/79/1072451379.db2.gz UKUIWYHXSARCEJ-ZACQAIPSSA-N 1 2 383.489 -0.134 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](COC)[C@@H]2CCCO2)CC1 ZINC000422432406 1072451216 /nfs/dbraw/zinc/45/12/16/1072451216.db2.gz XGISCQOLIQYPAI-CVEARBPZSA-N 1 2 387.477 -0.898 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](COC)[C@@H]2CCCO2)CC1 ZINC000422432407 1072451557 /nfs/dbraw/zinc/45/15/57/1072451557.db2.gz XGISCQOLIQYPAI-HOTGVXAUSA-N 1 2 387.477 -0.898 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](COC)[C@H]2CCCO2)CC1 ZINC000422432408 1072451365 /nfs/dbraw/zinc/45/13/65/1072451365.db2.gz XGISCQOLIQYPAI-HZPDHXFCSA-N 1 2 387.477 -0.898 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](COC)[C@H]2CCCO2)CC1 ZINC000422432409 1072452151 /nfs/dbraw/zinc/45/21/51/1072452151.db2.gz XGISCQOLIQYPAI-JKSUJKDBSA-N 1 2 387.477 -0.898 20 0 GBADLO CCNC(=O)C1(CNC(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CCC1 ZINC000422435436 1072452270 /nfs/dbraw/zinc/45/22/70/1072452270.db2.gz SCBGGWSNMMBNCM-UHFFFAOYSA-N 1 2 398.504 -0.785 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCc2ccc(C)cn2)CC1 ZINC000422450289 1072451319 /nfs/dbraw/zinc/45/13/19/1072451319.db2.gz BHSAILLQYYLCPM-UHFFFAOYSA-N 1 2 378.473 -0.146 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCc2cnc(C)cn2)[C@@H](C)C1 ZINC000422454859 1072454117 /nfs/dbraw/zinc/45/41/17/1072454117.db2.gz MQKVGTPCZXKZFW-AWEZNQCLSA-N 1 2 377.445 -0.460 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCc2cnc(C)cn2)[C@@H](C)C1 ZINC000422454859 1072454114 /nfs/dbraw/zinc/45/41/14/1072454114.db2.gz MQKVGTPCZXKZFW-AWEZNQCLSA-N 1 2 377.445 -0.460 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCc2cnc(C)cn2)[C@H](C)C1 ZINC000422454860 1072454100 /nfs/dbraw/zinc/45/41/00/1072454100.db2.gz MQKVGTPCZXKZFW-CQSZACIVSA-N 1 2 377.445 -0.460 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCc2cnc(C)cn2)[C@H](C)C1 ZINC000422454860 1072454095 /nfs/dbraw/zinc/45/40/95/1072454095.db2.gz MQKVGTPCZXKZFW-CQSZACIVSA-N 1 2 377.445 -0.460 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2ncccc2OC)CC1 ZINC000422456276 1072453690 /nfs/dbraw/zinc/45/36/90/1072453690.db2.gz UCEHIXMCXXUWIZ-UHFFFAOYSA-N 1 2 380.445 -0.488 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ncccc2OC)[C@H](C)C1 ZINC000422457462 1072454082 /nfs/dbraw/zinc/45/40/82/1072454082.db2.gz WMLJHQIXIPDLQI-CYBMUJFWSA-N 1 2 378.429 -0.198 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ncccc2OC)[C@H](C)C1 ZINC000422457462 1072454080 /nfs/dbraw/zinc/45/40/80/1072454080.db2.gz WMLJHQIXIPDLQI-CYBMUJFWSA-N 1 2 378.429 -0.198 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ncccc2OC)[C@@H](C)C1 ZINC000422457463 1072453939 /nfs/dbraw/zinc/45/39/39/1072453939.db2.gz WMLJHQIXIPDLQI-ZDUSSCGKSA-N 1 2 378.429 -0.198 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ncccc2OC)[C@@H](C)C1 ZINC000422457463 1072453931 /nfs/dbraw/zinc/45/39/31/1072453931.db2.gz WMLJHQIXIPDLQI-ZDUSSCGKSA-N 1 2 378.429 -0.198 20 0 GBADLO CCCCCN(CCO)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422468591 1072452229 /nfs/dbraw/zinc/45/22/29/1072452229.db2.gz AGCOQTFXEZRWLT-UHFFFAOYSA-N 1 2 385.505 -0.005 20 0 GBADLO C[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)O1 ZINC000422471521 1072453133 /nfs/dbraw/zinc/45/31/33/1072453133.db2.gz ZCYAMXKQJLGFHW-CHWSQXEVSA-N 1 2 387.444 -0.304 20 0 GBADLO C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)O1 ZINC000422471522 1072453085 /nfs/dbraw/zinc/45/30/85/1072453085.db2.gz ZCYAMXKQJLGFHW-OLZOCXBDSA-N 1 2 387.444 -0.304 20 0 GBADLO C[C@H]1CC[C@H](CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)O1 ZINC000422471523 1072452989 /nfs/dbraw/zinc/45/29/89/1072452989.db2.gz ZCYAMXKQJLGFHW-QWHCGFSZSA-N 1 2 387.444 -0.304 20 0 GBADLO C[C@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)O1 ZINC000422471524 1072453139 /nfs/dbraw/zinc/45/31/39/1072453139.db2.gz ZCYAMXKQJLGFHW-STQMWFEESA-N 1 2 387.444 -0.304 20 0 GBADLO CCN1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H](C)C1=O ZINC000422471984 1072452980 /nfs/dbraw/zinc/45/29/80/1072452980.db2.gz KRNOJWBQBPRARG-HNNXBMFYSA-N 1 2 396.488 -0.937 20 0 GBADLO CCN1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@H](C)C1=O ZINC000422471985 1072453183 /nfs/dbraw/zinc/45/31/83/1072453183.db2.gz KRNOJWBQBPRARG-OAHLLOKOSA-N 1 2 396.488 -0.937 20 0 GBADLO CC(C)[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCO1 ZINC000422471991 1072453078 /nfs/dbraw/zinc/45/30/78/1072453078.db2.gz KSKCPCRFUWYOHD-INIZCTEOSA-N 1 2 383.489 -0.133 20 0 GBADLO CC(C)[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCO1 ZINC000422471992 1072453122 /nfs/dbraw/zinc/45/31/22/1072453122.db2.gz KSKCPCRFUWYOHD-MRXNPFEDSA-N 1 2 383.489 -0.133 20 0 GBADLO CC[C@]1(CO)CCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422474792 1072453271 /nfs/dbraw/zinc/45/32/71/1072453271.db2.gz QQIKVTFDEHWZKZ-GOSISDBHSA-N 1 2 383.489 -0.253 20 0 GBADLO CC[C@@]1(CO)CCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000422474793 1072453127 /nfs/dbraw/zinc/45/31/27/1072453127.db2.gz QQIKVTFDEHWZKZ-SFHVURJKSA-N 1 2 383.489 -0.253 20 0 GBADLO CO[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[C@H]1C ZINC000422477991 1072456564 /nfs/dbraw/zinc/45/65/64/1072456564.db2.gz ZIOPNXXIUVGPFG-CVEARBPZSA-N 1 2 383.489 -0.133 20 0 GBADLO CO[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[C@@H]1C ZINC000422477992 1072456795 /nfs/dbraw/zinc/45/67/95/1072456795.db2.gz ZIOPNXXIUVGPFG-HOTGVXAUSA-N 1 2 383.489 -0.133 20 0 GBADLO CO[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[C@H]1C ZINC000422477993 1072456580 /nfs/dbraw/zinc/45/65/80/1072456580.db2.gz ZIOPNXXIUVGPFG-HZPDHXFCSA-N 1 2 383.489 -0.133 20 0 GBADLO CO[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[C@@H]1C ZINC000422477994 1072456478 /nfs/dbraw/zinc/45/64/78/1072456478.db2.gz ZIOPNXXIUVGPFG-JKSUJKDBSA-N 1 2 383.489 -0.133 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2ccn(CC)n2)CC1 ZINC000422493206 1072454652 /nfs/dbraw/zinc/45/46/52/1072454652.db2.gz JXIZSNDKPGGTCI-UHFFFAOYSA-N 1 2 392.504 -0.078 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2ccn(CC)n2)CC1 ZINC000422493206 1072454650 /nfs/dbraw/zinc/45/46/50/1072454650.db2.gz JXIZSNDKPGGTCI-UHFFFAOYSA-N 1 2 392.504 -0.078 20 0 GBADLO CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000422506650 1072458859 /nfs/dbraw/zinc/45/88/59/1072458859.db2.gz XDSOZTZQJRBGDU-KGLIPLIRSA-N 1 2 387.444 -0.304 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000422515165 1072459975 /nfs/dbraw/zinc/45/99/75/1072459975.db2.gz GOLJLZGCKIXWEF-INIZCTEOSA-N 1 2 392.431 -0.162 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000422515166 1072459621 /nfs/dbraw/zinc/45/96/21/1072459621.db2.gz GOLJLZGCKIXWEF-MRXNPFEDSA-N 1 2 392.431 -0.162 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2S(C)(=O)=O)CC1 ZINC000422516519 1072460772 /nfs/dbraw/zinc/46/07/72/1072460772.db2.gz CVGSARDEYQUMDZ-UHFFFAOYSA-N 1 2 397.497 -0.113 20 0 GBADLO CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)N2CC[NH+](CCOC)CC2)cn1 ZINC000422532716 1072463143 /nfs/dbraw/zinc/46/31/43/1072463143.db2.gz QZFBJMYOVRRASC-DOTOQJQBSA-N 1 2 393.488 -0.113 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)C2(O)CCOCC2)CC1 ZINC000422581091 1072465535 /nfs/dbraw/zinc/46/55/35/1072465535.db2.gz OHYREERVMAVXNJ-UHFFFAOYSA-N 1 2 385.505 -0.149 20 0 GBADLO Cc1cc(CNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)cc(C)[nH+]1 ZINC000422585650 1072464950 /nfs/dbraw/zinc/46/49/50/1072464950.db2.gz DIUKTXIXOFSKGQ-UHFFFAOYSA-N 1 2 375.458 0.097 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)CC1 ZINC000422585981 1072466655 /nfs/dbraw/zinc/46/66/55/1072466655.db2.gz IBKUELMJLAIVBR-CYBMUJFWSA-N 1 2 392.447 -0.752 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)CC1 ZINC000422585983 1072466573 /nfs/dbraw/zinc/46/65/73/1072466573.db2.gz IBKUELMJLAIVBR-ZDUSSCGKSA-N 1 2 392.447 -0.752 20 0 GBADLO Cc1cc(CNC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(C)[nH+]1 ZINC000422586747 1072464531 /nfs/dbraw/zinc/46/45/31/1072464531.db2.gz GLHPSTCKROMRLX-UHFFFAOYSA-N 1 2 375.473 -0.017 20 0 GBADLO Cc1cc(CNC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc(C)n1 ZINC000422587552 1072464556 /nfs/dbraw/zinc/46/45/56/1072464556.db2.gz IPJCGJZDVFYGAO-UHFFFAOYSA-N 1 2 375.473 -0.063 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)[C@H](C)C1 ZINC000422590928 1072464583 /nfs/dbraw/zinc/46/45/83/1072464583.db2.gz NOPDAWDKVXFNHB-CHWSQXEVSA-N 1 2 390.431 -0.462 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)[C@H](C)C1 ZINC000422590928 1072464579 /nfs/dbraw/zinc/46/45/79/1072464579.db2.gz NOPDAWDKVXFNHB-CHWSQXEVSA-N 1 2 390.431 -0.462 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)[C@H](C)C1 ZINC000422590929 1072464658 /nfs/dbraw/zinc/46/46/58/1072464658.db2.gz NOPDAWDKVXFNHB-OLZOCXBDSA-N 1 2 390.431 -0.462 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)[C@H](C)C1 ZINC000422590929 1072464655 /nfs/dbraw/zinc/46/46/55/1072464655.db2.gz NOPDAWDKVXFNHB-OLZOCXBDSA-N 1 2 390.431 -0.462 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)[C@@H](C)C1 ZINC000422590930 1072464927 /nfs/dbraw/zinc/46/49/27/1072464927.db2.gz NOPDAWDKVXFNHB-QWHCGFSZSA-N 1 2 390.431 -0.462 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)[C@@H](C)C1 ZINC000422590930 1072464921 /nfs/dbraw/zinc/46/49/21/1072464921.db2.gz NOPDAWDKVXFNHB-QWHCGFSZSA-N 1 2 390.431 -0.462 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)[C@@H](C)C1 ZINC000422590931 1072464787 /nfs/dbraw/zinc/46/47/87/1072464787.db2.gz NOPDAWDKVXFNHB-STQMWFEESA-N 1 2 390.431 -0.462 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)[C@@H](C)C1 ZINC000422590931 1072464780 /nfs/dbraw/zinc/46/47/80/1072464780.db2.gz NOPDAWDKVXFNHB-STQMWFEESA-N 1 2 390.431 -0.462 20 0 GBADLO Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc(C)[nH+]1 ZINC000422592762 1072465042 /nfs/dbraw/zinc/46/50/42/1072465042.db2.gz TZCJGZBCZJFNJB-UHFFFAOYSA-N 1 2 387.440 -0.736 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1=O ZINC000422600799 1072466489 /nfs/dbraw/zinc/46/64/89/1072466489.db2.gz AZBGLXGQNNGJPN-HNNXBMFYSA-N 1 2 398.504 -0.833 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1=O ZINC000422600802 1072466417 /nfs/dbraw/zinc/46/64/17/1072466417.db2.gz AZBGLXGQNNGJPN-OAHLLOKOSA-N 1 2 398.504 -0.833 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC000422602375 1072466498 /nfs/dbraw/zinc/46/64/98/1072466498.db2.gz GEJCNQXGZCUYSZ-HNNXBMFYSA-N 1 2 382.505 -0.070 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC000422602375 1072466494 /nfs/dbraw/zinc/46/64/94/1072466494.db2.gz GEJCNQXGZCUYSZ-HNNXBMFYSA-N 1 2 382.505 -0.070 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC000422602376 1072466567 /nfs/dbraw/zinc/46/65/67/1072466567.db2.gz GEJCNQXGZCUYSZ-OAHLLOKOSA-N 1 2 382.505 -0.070 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC000422602376 1072466564 /nfs/dbraw/zinc/46/65/64/1072466564.db2.gz GEJCNQXGZCUYSZ-OAHLLOKOSA-N 1 2 382.505 -0.070 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000422602471 1072466597 /nfs/dbraw/zinc/46/65/97/1072466597.db2.gz GRVXSTQUAOYYIT-OWCLPIDISA-N 1 2 382.505 -0.071 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000422602471 1072466593 /nfs/dbraw/zinc/46/65/93/1072466593.db2.gz GRVXSTQUAOYYIT-OWCLPIDISA-N 1 2 382.505 -0.071 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000422602472 1072466618 /nfs/dbraw/zinc/46/66/18/1072466618.db2.gz GRVXSTQUAOYYIT-XHSDSOJGSA-N 1 2 382.505 -0.071 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000422602472 1072466613 /nfs/dbraw/zinc/46/66/13/1072466613.db2.gz GRVXSTQUAOYYIT-XHSDSOJGSA-N 1 2 382.505 -0.071 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1=O ZINC000422604377 1072467606 /nfs/dbraw/zinc/46/76/06/1072467606.db2.gz NZEXBNLBYBNPEY-HNNXBMFYSA-N 1 2 388.472 -0.192 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1=O ZINC000422604378 1072467219 /nfs/dbraw/zinc/46/72/19/1072467219.db2.gz NZEXBNLBYBNPEY-OAHLLOKOSA-N 1 2 388.472 -0.192 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1=O ZINC000422606771 1072467671 /nfs/dbraw/zinc/46/76/71/1072467671.db2.gz STNXJDLIRSVNOI-CABCVRRESA-N 1 2 396.488 -0.543 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1=O ZINC000422606771 1072467669 /nfs/dbraw/zinc/46/76/69/1072467669.db2.gz STNXJDLIRSVNOI-CABCVRRESA-N 1 2 396.488 -0.543 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1=O ZINC000422606772 1072467620 /nfs/dbraw/zinc/46/76/20/1072467620.db2.gz STNXJDLIRSVNOI-GJZGRUSLSA-N 1 2 396.488 -0.543 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1=O ZINC000422606772 1072467617 /nfs/dbraw/zinc/46/76/17/1072467617.db2.gz STNXJDLIRSVNOI-GJZGRUSLSA-N 1 2 396.488 -0.543 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1=O ZINC000422606773 1072467633 /nfs/dbraw/zinc/46/76/33/1072467633.db2.gz STNXJDLIRSVNOI-HUUCEWRRSA-N 1 2 396.488 -0.543 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1=O ZINC000422606773 1072467629 /nfs/dbraw/zinc/46/76/29/1072467629.db2.gz STNXJDLIRSVNOI-HUUCEWRRSA-N 1 2 396.488 -0.543 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1=O ZINC000422606774 1072467544 /nfs/dbraw/zinc/46/75/44/1072467544.db2.gz STNXJDLIRSVNOI-LSDHHAIUSA-N 1 2 396.488 -0.543 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1=O ZINC000422606774 1072467543 /nfs/dbraw/zinc/46/75/43/1072467543.db2.gz STNXJDLIRSVNOI-LSDHHAIUSA-N 1 2 396.488 -0.543 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1=O ZINC000422608694 1072467407 /nfs/dbraw/zinc/46/74/07/1072467407.db2.gz VXTZEXRZETVUPJ-INIZCTEOSA-N 1 2 382.505 -0.070 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1=O ZINC000422608695 1072467236 /nfs/dbraw/zinc/46/72/36/1072467236.db2.gz VXTZEXRZETVUPJ-MRXNPFEDSA-N 1 2 382.505 -0.070 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2(OC)CCOCC2)[C@H](C)C1 ZINC000422639203 1072468258 /nfs/dbraw/zinc/46/82/58/1072468258.db2.gz WHGRIRJBSZLGBH-CABCVRRESA-N 1 2 399.488 -0.218 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2(OC)CCOCC2)[C@H](C)C1 ZINC000422639203 1072468254 /nfs/dbraw/zinc/46/82/54/1072468254.db2.gz WHGRIRJBSZLGBH-CABCVRRESA-N 1 2 399.488 -0.218 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2(OC)CCOCC2)[C@@H](C)C1 ZINC000422639204 1072468335 /nfs/dbraw/zinc/46/83/35/1072468335.db2.gz WHGRIRJBSZLGBH-GJZGRUSLSA-N 1 2 399.488 -0.218 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2(OC)CCOCC2)[C@@H](C)C1 ZINC000422639204 1072468331 /nfs/dbraw/zinc/46/83/31/1072468331.db2.gz WHGRIRJBSZLGBH-GJZGRUSLSA-N 1 2 399.488 -0.218 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C2(OC)CCOCC2)[C@H](C)C1 ZINC000422639205 1072468066 /nfs/dbraw/zinc/46/80/66/1072468066.db2.gz WHGRIRJBSZLGBH-HUUCEWRRSA-N 1 2 399.488 -0.218 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C2(OC)CCOCC2)[C@H](C)C1 ZINC000422639205 1072468062 /nfs/dbraw/zinc/46/80/62/1072468062.db2.gz WHGRIRJBSZLGBH-HUUCEWRRSA-N 1 2 399.488 -0.218 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C2(OC)CCOCC2)[C@@H](C)C1 ZINC000422639206 1072468364 /nfs/dbraw/zinc/46/83/64/1072468364.db2.gz WHGRIRJBSZLGBH-LSDHHAIUSA-N 1 2 399.488 -0.218 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C2(OC)CCOCC2)[C@@H](C)C1 ZINC000422639206 1072468359 /nfs/dbraw/zinc/46/83/59/1072468359.db2.gz WHGRIRJBSZLGBH-LSDHHAIUSA-N 1 2 399.488 -0.218 20 0 GBADLO [NH3+][C@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1c(F)cccc1F ZINC000422936743 1072481102 /nfs/dbraw/zinc/48/11/02/1072481102.db2.gz BQYHFDGEMLUMCJ-HNNXBMFYSA-N 1 2 396.394 -0.506 20 0 GBADLO [NH3+][C@@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1c(F)cccc1F ZINC000422936744 1072481109 /nfs/dbraw/zinc/48/11/09/1072481109.db2.gz BQYHFDGEMLUMCJ-OAHLLOKOSA-N 1 2 396.394 -0.506 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)CC[NH2+]1 ZINC000423461171 1072526147 /nfs/dbraw/zinc/52/61/47/1072526147.db2.gz NMPXYKCBMRINSU-BRWVUGGUSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C[C@@H](C)O1 ZINC000423461173 1072525920 /nfs/dbraw/zinc/52/59/20/1072525920.db2.gz NMPXYKCBMRINSU-GVDBMIGSSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000423461174 1072525675 /nfs/dbraw/zinc/52/56/75/1072525675.db2.gz NMPXYKCBMRINSU-IKGGRYGDSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000423461175 1072526055 /nfs/dbraw/zinc/52/60/55/1072526055.db2.gz NMPXYKCBMRINSU-ULQDDVLXSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000423461176 1072525814 /nfs/dbraw/zinc/52/58/14/1072525814.db2.gz NMPXYKCBMRINSU-YESZJQIVSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000423461177 1072526001 /nfs/dbraw/zinc/52/60/01/1072526001.db2.gz NMPXYKCBMRINSU-ZACQAIPSSA-N 1 2 396.532 -0.077 20 0 GBADLO [NH3+][C@H](C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1c(F)cccc1F ZINC000423761476 1072572956 /nfs/dbraw/zinc/57/29/56/1072572956.db2.gz OXMSDTWIOLXXCH-KRWDZBQOSA-N 1 2 394.378 -0.216 20 0 GBADLO [NH3+][C@@H](C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1c(F)cccc1F ZINC000423761480 1072573043 /nfs/dbraw/zinc/57/30/43/1072573043.db2.gz OXMSDTWIOLXXCH-QGZVFWFLSA-N 1 2 394.378 -0.216 20 0 GBADLO C[NH+]1CCN(C(=O)Cn2cc(NS(=O)(=O)CCOCC3CC3)cn2)CC1 ZINC000424060901 1072584442 /nfs/dbraw/zinc/58/44/42/1072584442.db2.gz DLSKXGSBFBDKNW-UHFFFAOYSA-N 1 2 385.490 -0.175 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)C(=O)N=c3nc(C(C)(C)C)[nH]s3)C[C@H]2[NH3+])cn1 ZINC000424449140 1072593983 /nfs/dbraw/zinc/59/39/83/1072593983.db2.gz RDWDSYZXRJQJCY-WDEREUQCSA-N 1 2 377.474 -0.117 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000424451069 1072596630 /nfs/dbraw/zinc/59/66/30/1072596630.db2.gz ZUQYTBGSLHWGPE-JTQLQIEISA-N 1 2 390.412 -0.106 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000424451070 1072596414 /nfs/dbraw/zinc/59/64/14/1072596414.db2.gz ZUQYTBGSLHWGPE-SNVBAGLBSA-N 1 2 390.412 -0.106 20 0 GBADLO O=C(NCc1nc(-c2ccccn2)n[nH]1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424500392 1072600521 /nfs/dbraw/zinc/60/05/21/1072600521.db2.gz COGSFCQVWGJNRO-JTQLQIEISA-N 1 2 379.371 -0.156 20 0 GBADLO O=C(NCc1nc(-c2ccccn2)n[nH]1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424500395 1072600714 /nfs/dbraw/zinc/60/07/14/1072600714.db2.gz COGSFCQVWGJNRO-SNVBAGLBSA-N 1 2 379.371 -0.156 20 0 GBADLO O=C(NCCS(=O)(=O)NCC1CCC1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424501623 1072600600 /nfs/dbraw/zinc/60/06/00/1072600600.db2.gz FMSLTFKEEXCXMY-LBPRGKRZSA-N 1 2 396.460 -0.817 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424502621 1072600485 /nfs/dbraw/zinc/60/04/85/1072600485.db2.gz GWVVUKOROJBAIC-QJPTWQEYSA-N 1 2 396.460 -0.819 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424502625 1072600737 /nfs/dbraw/zinc/60/07/37/1072600737.db2.gz GWVVUKOROJBAIC-SDDRHHMPSA-N 1 2 396.460 -0.819 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424502627 1072600746 /nfs/dbraw/zinc/60/07/46/1072600746.db2.gz GWVVUKOROJBAIC-SRVKXCTJSA-N 1 2 396.460 -0.819 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424502629 1072600447 /nfs/dbraw/zinc/60/04/47/1072600447.db2.gz GWVVUKOROJBAIC-TUAOUCFPSA-N 1 2 396.460 -0.819 20 0 GBADLO COc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000424502883 1072600568 /nfs/dbraw/zinc/60/05/68/1072600568.db2.gz HLSCHIZDGGDJRY-CYBMUJFWSA-N 1 2 398.410 -0.098 20 0 GBADLO COc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000424502897 1072600360 /nfs/dbraw/zinc/60/03/60/1072600360.db2.gz HLSCHIZDGGDJRY-ZDUSSCGKSA-N 1 2 398.410 -0.098 20 0 GBADLO O=C(NCCc1nnnn1-c1ccccc1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424505586 1072601584 /nfs/dbraw/zinc/60/15/84/1072601584.db2.gz LCUSYAMNGFBYHU-GFCCVEGCSA-N 1 2 393.398 -0.318 20 0 GBADLO O=C(NCCc1nnnn1-c1ccccc1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424505592 1072601498 /nfs/dbraw/zinc/60/14/98/1072601498.db2.gz LCUSYAMNGFBYHU-LBPRGKRZSA-N 1 2 393.398 -0.318 20 0 GBADLO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000424512762 1072596250 /nfs/dbraw/zinc/59/62/50/1072596250.db2.gz WEMKENUOEGNNFV-CHWSQXEVSA-N 1 2 384.431 -0.134 20 0 GBADLO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000424512763 1072596162 /nfs/dbraw/zinc/59/61/62/1072596162.db2.gz WEMKENUOEGNNFV-OLZOCXBDSA-N 1 2 384.431 -0.134 20 0 GBADLO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000424512764 1072596302 /nfs/dbraw/zinc/59/63/02/1072596302.db2.gz WEMKENUOEGNNFV-QWHCGFSZSA-N 1 2 384.431 -0.134 20 0 GBADLO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000424512765 1072596606 /nfs/dbraw/zinc/59/66/06/1072596606.db2.gz WEMKENUOEGNNFV-STQMWFEESA-N 1 2 384.431 -0.134 20 0 GBADLO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424517942 530361593 /nfs/dbraw/zinc/36/15/93/530361593.db2.gz HBQONTPDGCTPNW-LLVKDONJSA-N 1 2 384.449 -0.865 20 0 GBADLO CCN(CC)S(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424517943 530361893 /nfs/dbraw/zinc/36/18/93/530361893.db2.gz HBQONTPDGCTPNW-NSHDSACASA-N 1 2 384.449 -0.865 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)O1 ZINC000424528313 1072601356 /nfs/dbraw/zinc/60/13/56/1072601356.db2.gz UEJCZDXDYYLGGU-SRVKXCTJSA-N 1 2 376.404 -0.901 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)O1 ZINC000424528317 1072601557 /nfs/dbraw/zinc/60/15/57/1072601557.db2.gz UEJCZDXDYYLGGU-TUAOUCFPSA-N 1 2 376.404 -0.901 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)O1 ZINC000424528321 1072601600 /nfs/dbraw/zinc/60/16/00/1072601600.db2.gz UEJCZDXDYYLGGU-UTUOFQBUSA-N 1 2 376.404 -0.901 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)O1 ZINC000424528324 1072601315 /nfs/dbraw/zinc/60/13/15/1072601315.db2.gz UEJCZDXDYYLGGU-WOPDTQHZSA-N 1 2 376.404 -0.901 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)C1 ZINC000424529703 1072602101 /nfs/dbraw/zinc/60/21/01/1072602101.db2.gz JBYSHIUFDVBVJA-BPLDGKMQSA-N 1 2 381.433 -0.521 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)C1 ZINC000424529703 1072602098 /nfs/dbraw/zinc/60/20/98/1072602098.db2.gz JBYSHIUFDVBVJA-BPLDGKMQSA-N 1 2 381.433 -0.521 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)C1 ZINC000424529711 1072602124 /nfs/dbraw/zinc/60/21/24/1072602124.db2.gz JBYSHIUFDVBVJA-NWANDNLSSA-N 1 2 381.433 -0.521 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)C1 ZINC000424529711 1072602120 /nfs/dbraw/zinc/60/21/20/1072602120.db2.gz JBYSHIUFDVBVJA-NWANDNLSSA-N 1 2 381.433 -0.521 20 0 GBADLO O=C(NCc1ccc2c(c1)C(=O)NCC2)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424534706 1072602433 /nfs/dbraw/zinc/60/24/33/1072602433.db2.gz ZKCWFKBLBWIXPD-CYBMUJFWSA-N 1 2 380.395 -0.050 20 0 GBADLO O=C(NCc1ccc2c(c1)C(=O)NCC2)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424534707 1072602071 /nfs/dbraw/zinc/60/20/71/1072602071.db2.gz ZKCWFKBLBWIXPD-ZDUSSCGKSA-N 1 2 380.395 -0.050 20 0 GBADLO O=C(NCCN1C(=O)c2ccccc2C1=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424551258 1072606777 /nfs/dbraw/zinc/60/67/77/1072606777.db2.gz OITQAOLAFQMIFC-LLVKDONJSA-N 1 2 394.378 -0.240 20 0 GBADLO O=C(NCCN1C(=O)c2ccccc2C1=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424551259 1072606741 /nfs/dbraw/zinc/60/67/41/1072606741.db2.gz OITQAOLAFQMIFC-NSHDSACASA-N 1 2 394.378 -0.240 20 0 GBADLO CS(=O)(=O)CC1(CNC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCC1 ZINC000424563789 530362452 /nfs/dbraw/zinc/36/24/52/530362452.db2.gz ZXAVVHWNGCCGFK-LLVKDONJSA-N 1 2 381.445 -0.322 20 0 GBADLO CS(=O)(=O)CC1(CNC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCC1 ZINC000424563798 530362504 /nfs/dbraw/zinc/36/25/04/530362504.db2.gz ZXAVVHWNGCCGFK-NSHDSACASA-N 1 2 381.445 -0.322 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2c(cn1)OCCO2 ZINC000424674210 1072609096 /nfs/dbraw/zinc/60/90/96/1072609096.db2.gz KWEZHDXROMNZAO-CYBMUJFWSA-N 1 2 376.413 -0.484 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2c(cn1)OCCO2 ZINC000424674211 1072609024 /nfs/dbraw/zinc/60/90/24/1072609024.db2.gz KWEZHDXROMNZAO-ZDUSSCGKSA-N 1 2 376.413 -0.484 20 0 GBADLO O=C(Cc1ccc(-n2cnnc2)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000424677760 1072609596 /nfs/dbraw/zinc/60/95/96/1072609596.db2.gz QYDWEPDSGCKFFY-KRWDZBQOSA-N 1 2 398.467 -0.141 20 0 GBADLO O=C(Cc1ccc(-n2cnnc2)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000424677774 1072609376 /nfs/dbraw/zinc/60/93/76/1072609376.db2.gz QYDWEPDSGCKFFY-QGZVFWFLSA-N 1 2 398.467 -0.141 20 0 GBADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000425204973 530347368 /nfs/dbraw/zinc/34/73/68/530347368.db2.gz NUAHXXLYCFLRJA-UHFFFAOYSA-N 1 2 385.552 -0.360 20 0 GBADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000425205028 1072646372 /nfs/dbraw/zinc/64/63/72/1072646372.db2.gz NWWBOXIPVDAQFC-UHFFFAOYSA-N 1 2 396.469 -0.052 20 0 GBADLO Cc1nc(NC[C@H]2CCN(C)C(=O)C2)nc(NC[C@H]2CCN(C)C(=O)C2)[nH+]1 ZINC000425264143 1072658694 /nfs/dbraw/zinc/65/86/94/1072658694.db2.gz DXQZJLJBJIFNPD-KBPBESRZSA-N 1 2 375.477 -0.416 20 0 GBADLO Cc1nc(NC[C@@H]2CCN(C)C(=O)C2)nc(NC[C@H]2CCN(C)C(=O)C2)[nH+]1 ZINC000425264145 1072658772 /nfs/dbraw/zinc/65/87/72/1072658772.db2.gz DXQZJLJBJIFNPD-OKILXGFUSA-N 1 2 375.477 -0.416 20 0 GBADLO Cc1nc(NC[C@H]2CCN(C)C(=O)C2)nc(NC[C@@H]2CCN(C)C(=O)C2)[nH+]1 ZINC000425264145 1072658768 /nfs/dbraw/zinc/65/87/68/1072658768.db2.gz DXQZJLJBJIFNPD-OKILXGFUSA-N 1 2 375.477 -0.416 20 0 GBADLO Cc1nc(NC[C@@H]2CCN(C)C(=O)C2)nc(NC[C@@H]2CCN(C)C(=O)C2)[nH+]1 ZINC000425264147 1072658919 /nfs/dbraw/zinc/65/89/19/1072658919.db2.gz DXQZJLJBJIFNPD-ZIAGYGMSSA-N 1 2 375.477 -0.416 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2ccc(NCCCCS(C)(=O)=O)nc2)CC1 ZINC000425266185 530170705 /nfs/dbraw/zinc/17/07/05/530170705.db2.gz ZSZUQQXZBIHMTI-UHFFFAOYSA-N 1 2 390.531 0.254 20 0 GBADLO COc1c[nH+]c(NC[C@H]2CCN(C)C(=O)C2)nc1NC[C@H]1CCN(C)C(=O)C1 ZINC000425267695 1072660857 /nfs/dbraw/zinc/66/08/57/1072660857.db2.gz MORAGCKAHSVDIZ-KBPBESRZSA-N 1 2 390.488 -0.110 20 0 GBADLO COc1c[nH+]c(NC[C@H]2CCN(C)C(=O)C2)nc1NC[C@@H]1CCN(C)C(=O)C1 ZINC000425267696 1072660595 /nfs/dbraw/zinc/66/05/95/1072660595.db2.gz MORAGCKAHSVDIZ-KGLIPLIRSA-N 1 2 390.488 -0.110 20 0 GBADLO COc1c[nH+]c(NC[C@@H]2CCN(C)C(=O)C2)nc1NC[C@H]1CCN(C)C(=O)C1 ZINC000425267697 1072660669 /nfs/dbraw/zinc/66/06/69/1072660669.db2.gz MORAGCKAHSVDIZ-UONOGXRCSA-N 1 2 390.488 -0.110 20 0 GBADLO COc1c[nH+]c(NC[C@@H]2CCN(C)C(=O)C2)nc1NC[C@@H]1CCN(C)C(=O)C1 ZINC000425267698 1072660528 /nfs/dbraw/zinc/66/05/28/1072660528.db2.gz MORAGCKAHSVDIZ-ZIAGYGMSSA-N 1 2 390.488 -0.110 20 0 GBADLO O=C(CCNS(=O)(=O)c1cccs1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425282974 530374414 /nfs/dbraw/zinc/37/44/14/530374414.db2.gz BAZRSZYBUZRSME-GFCCVEGCSA-N 1 2 377.488 -0.774 20 0 GBADLO O=C(CCNS(=O)(=O)c1cccs1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425282977 530374517 /nfs/dbraw/zinc/37/45/17/530374517.db2.gz BAZRSZYBUZRSME-LBPRGKRZSA-N 1 2 377.488 -0.774 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425291480 530243429 /nfs/dbraw/zinc/24/34/29/530243429.db2.gz RGVAESNNXIWTCX-CYBMUJFWSA-N 1 2 391.877 -0.572 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425291481 530243224 /nfs/dbraw/zinc/24/32/24/530243224.db2.gz RGVAESNNXIWTCX-ZDUSSCGKSA-N 1 2 391.877 -0.572 20 0 GBADLO O=C(CCn1cc(Br)ccc1=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425291840 530374268 /nfs/dbraw/zinc/37/42/68/530374268.db2.gz TXOUMIJPSLCQBV-CYBMUJFWSA-N 1 2 388.262 -0.190 20 0 GBADLO O=C(CCn1cc(Br)ccc1=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425291841 530374340 /nfs/dbraw/zinc/37/43/40/530374340.db2.gz TXOUMIJPSLCQBV-ZDUSSCGKSA-N 1 2 388.262 -0.190 20 0 GBADLO Cc1c(Br)cc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c(=O)n1C ZINC000425296172 530269982 /nfs/dbraw/zinc/26/99/82/530269982.db2.gz RHXVEXJQVDLMOJ-LLVKDONJSA-N 1 2 388.262 -0.121 20 0 GBADLO Cc1c(Br)cc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c(=O)n1C ZINC000425296173 530270038 /nfs/dbraw/zinc/27/00/38/530270038.db2.gz RHXVEXJQVDLMOJ-NSHDSACASA-N 1 2 388.262 -0.121 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)CC1=O ZINC000425317966 530273084 /nfs/dbraw/zinc/27/30/84/530273084.db2.gz NVCIRIHTHAPJRJ-CYBMUJFWSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)CC1=O ZINC000425317966 530273082 /nfs/dbraw/zinc/27/30/82/530273082.db2.gz NVCIRIHTHAPJRJ-CYBMUJFWSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2(S(C)(=O)=O)CCC2)CC1=O ZINC000425317967 530272989 /nfs/dbraw/zinc/27/29/89/530272989.db2.gz NVCIRIHTHAPJRJ-ZDUSSCGKSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2(S(C)(=O)=O)CCC2)CC1=O ZINC000425317967 530272986 /nfs/dbraw/zinc/27/29/86/530272986.db2.gz NVCIRIHTHAPJRJ-ZDUSSCGKSA-N 1 2 375.491 -0.751 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CCC[C@H](n4ccnn4)C3)CC2)cc[nH+]1 ZINC000425377618 1072694016 /nfs/dbraw/zinc/69/40/16/1072694016.db2.gz ACTDQUOQSGMEPO-HNNXBMFYSA-N 1 2 384.444 -0.111 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CCC[C@@H](n4ccnn4)C3)CC2)cc[nH+]1 ZINC000425377636 1072693874 /nfs/dbraw/zinc/69/38/74/1072693874.db2.gz ACTDQUOQSGMEPO-OAHLLOKOSA-N 1 2 384.444 -0.111 20 0 GBADLO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000425379714 1072694072 /nfs/dbraw/zinc/69/40/72/1072694072.db2.gz BAIUMDLTWVGTEQ-HNNXBMFYSA-N 1 2 380.470 -0.780 20 0 GBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000425379716 1072694136 /nfs/dbraw/zinc/69/41/36/1072694136.db2.gz BAIUMDLTWVGTEQ-OAHLLOKOSA-N 1 2 380.470 -0.780 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)CC1 ZINC000425393692 1072700728 /nfs/dbraw/zinc/70/07/28/1072700728.db2.gz DQQZEIIDPXFTNW-HNNXBMFYSA-N 1 2 394.476 -0.753 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425393695 1072700217 /nfs/dbraw/zinc/70/02/17/1072700217.db2.gz DQQZEIIDPXFTNW-OAHLLOKOSA-N 1 2 394.476 -0.753 20 0 GBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000425394132 1072702171 /nfs/dbraw/zinc/70/21/71/1072702171.db2.gz FOKIYIVZCRLTJV-GOSISDBHSA-N 1 2 388.468 -0.306 20 0 GBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000425394133 1072702591 /nfs/dbraw/zinc/70/25/91/1072702591.db2.gz FOKIYIVZCRLTJV-SFHVURJKSA-N 1 2 388.468 -0.306 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)[C@H](C)C1 ZINC000425397099 1072705421 /nfs/dbraw/zinc/70/54/21/1072705421.db2.gz FVDYFUMVLZSBJJ-CABCVRRESA-N 1 2 392.460 -0.463 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)[C@H](C)C1 ZINC000425397099 1072705412 /nfs/dbraw/zinc/70/54/12/1072705412.db2.gz FVDYFUMVLZSBJJ-CABCVRRESA-N 1 2 392.460 -0.463 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)[C@@H](C)C1 ZINC000425397100 1072705209 /nfs/dbraw/zinc/70/52/09/1072705209.db2.gz FVDYFUMVLZSBJJ-GJZGRUSLSA-N 1 2 392.460 -0.463 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)[C@@H](C)C1 ZINC000425397100 1072705204 /nfs/dbraw/zinc/70/52/04/1072705204.db2.gz FVDYFUMVLZSBJJ-GJZGRUSLSA-N 1 2 392.460 -0.463 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)[C@H](C)C1 ZINC000425397101 1072705396 /nfs/dbraw/zinc/70/53/96/1072705396.db2.gz FVDYFUMVLZSBJJ-HUUCEWRRSA-N 1 2 392.460 -0.463 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)[C@H](C)C1 ZINC000425397101 1072705389 /nfs/dbraw/zinc/70/53/89/1072705389.db2.gz FVDYFUMVLZSBJJ-HUUCEWRRSA-N 1 2 392.460 -0.463 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)[C@@H](C)C1 ZINC000425397102 1072705125 /nfs/dbraw/zinc/70/51/25/1072705125.db2.gz FVDYFUMVLZSBJJ-LSDHHAIUSA-N 1 2 392.460 -0.463 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)[C@@H](C)C1 ZINC000425397102 1072705119 /nfs/dbraw/zinc/70/51/19/1072705119.db2.gz FVDYFUMVLZSBJJ-LSDHHAIUSA-N 1 2 392.460 -0.463 20 0 GBADLO CS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000425400410 1072708878 /nfs/dbraw/zinc/70/88/78/1072708878.db2.gz KEISXZOCRSNVLH-UHFFFAOYSA-N 1 2 394.497 -0.565 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(Cc3nc(C(F)F)no3)CC2)CC1 ZINC000425403680 530281219 /nfs/dbraw/zinc/28/12/19/530281219.db2.gz INEMFVDMHIYTGL-UHFFFAOYSA-N 1 2 380.421 -0.383 20 0 GBADLO COCC(=O)N1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000425406530 1073170351 /nfs/dbraw/zinc/17/03/51/1073170351.db2.gz TUGKQTXJCHPYDV-UHFFFAOYSA-N 1 2 388.468 -0.352 20 0 GBADLO CN1C(=O)CC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000425425558 1072725028 /nfs/dbraw/zinc/72/50/28/1072725028.db2.gz PALVUVBWRQZGGO-CYBMUJFWSA-N 1 2 375.433 -0.955 20 0 GBADLO CN1C(=O)CC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000425425562 1072724587 /nfs/dbraw/zinc/72/45/87/1072724587.db2.gz PALVUVBWRQZGGO-ZDUSSCGKSA-N 1 2 375.433 -0.955 20 0 GBADLO CS(=O)(=O)CCCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000425428239 1072725540 /nfs/dbraw/zinc/72/55/40/1072725540.db2.gz UUPWPPDWZKSJPX-UHFFFAOYSA-N 1 2 384.506 -0.277 20 0 GBADLO COCCN(C(=O)CN1CC[N@@H+](C)C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000425488486 530281645 /nfs/dbraw/zinc/28/16/45/530281645.db2.gz XCRZXIBTFHJEPN-CVEARBPZSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@H+](C)C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000425488486 530281644 /nfs/dbraw/zinc/28/16/44/530281644.db2.gz XCRZXIBTFHJEPN-CVEARBPZSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@@H+](C)C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000425488488 530281588 /nfs/dbraw/zinc/28/15/88/530281588.db2.gz XCRZXIBTFHJEPN-HOTGVXAUSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@H+](C)C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000425488488 530281587 /nfs/dbraw/zinc/28/15/87/530281587.db2.gz XCRZXIBTFHJEPN-HOTGVXAUSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@@H+](C)C[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000425488490 530281570 /nfs/dbraw/zinc/28/15/70/530281570.db2.gz XCRZXIBTFHJEPN-HZPDHXFCSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@H+](C)C[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000425488490 530281569 /nfs/dbraw/zinc/28/15/69/530281569.db2.gz XCRZXIBTFHJEPN-HZPDHXFCSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@@H+](C)C[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000425488491 530281564 /nfs/dbraw/zinc/28/15/64/530281564.db2.gz XCRZXIBTFHJEPN-JKSUJKDBSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@H+](C)C[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000425488491 530281563 /nfs/dbraw/zinc/28/15/63/530281563.db2.gz XCRZXIBTFHJEPN-JKSUJKDBSA-N 1 2 375.535 -0.080 20 0 GBADLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)s1 ZINC000425490746 530281379 /nfs/dbraw/zinc/28/13/79/530281379.db2.gz PMBDXCAGAAAPQL-JTQLQIEISA-N 1 2 392.503 -0.022 20 0 GBADLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)s1 ZINC000425490747 530281550 /nfs/dbraw/zinc/28/15/50/530281550.db2.gz PMBDXCAGAAAPQL-SNVBAGLBSA-N 1 2 392.503 -0.022 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(=O)[nH]c1=O ZINC000425499271 1072737455 /nfs/dbraw/zinc/73/74/55/1072737455.db2.gz IQMWTYSCKBCTSC-LLVKDONJSA-N 1 2 377.405 -0.711 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(=O)[nH]c1=O ZINC000425499271 1072737449 /nfs/dbraw/zinc/73/74/49/1072737449.db2.gz IQMWTYSCKBCTSC-LLVKDONJSA-N 1 2 377.405 -0.711 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](n3ccnn3)C2)c(=O)[nH]c1=O ZINC000425499272 1072737227 /nfs/dbraw/zinc/73/72/27/1072737227.db2.gz IQMWTYSCKBCTSC-NSHDSACASA-N 1 2 377.405 -0.711 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(=O)[nH]c1=O ZINC000425499272 1072737215 /nfs/dbraw/zinc/73/72/15/1072737215.db2.gz IQMWTYSCKBCTSC-NSHDSACASA-N 1 2 377.405 -0.711 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(=O)n(C)c1=O ZINC000425500314 1072738436 /nfs/dbraw/zinc/73/84/36/1072738436.db2.gz LOXBNLHADUUKQK-CYBMUJFWSA-N 1 2 389.460 -0.104 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(=O)n(C)c1=O ZINC000425500314 1072738431 /nfs/dbraw/zinc/73/84/31/1072738431.db2.gz LOXBNLHADUUKQK-CYBMUJFWSA-N 1 2 389.460 -0.104 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](n3ccnn3)C2)c(=O)n(C)c1=O ZINC000425500317 1072738275 /nfs/dbraw/zinc/73/82/75/1072738275.db2.gz LOXBNLHADUUKQK-ZDUSSCGKSA-N 1 2 389.460 -0.104 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(=O)n(C)c1=O ZINC000425500317 1072738270 /nfs/dbraw/zinc/73/82/70/1072738270.db2.gz LOXBNLHADUUKQK-ZDUSSCGKSA-N 1 2 389.460 -0.104 20 0 GBADLO CCC(=O)N1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000425518197 1072741528 /nfs/dbraw/zinc/74/15/28/1072741528.db2.gz MPRZVIHVUCSCRJ-UHFFFAOYSA-N 1 2 382.486 -0.106 20 0 GBADLO CCC(=O)N1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000425518197 1072741524 /nfs/dbraw/zinc/74/15/24/1072741524.db2.gz MPRZVIHVUCSCRJ-UHFFFAOYSA-N 1 2 382.486 -0.106 20 0 GBADLO CCC(=O)N1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000425520384 1072740994 /nfs/dbraw/zinc/74/09/94/1072740994.db2.gz QZNRFYHSBFXCTP-UHFFFAOYSA-N 1 2 386.460 -0.476 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c(=O)n(C)c1=O ZINC000425527627 1072741604 /nfs/dbraw/zinc/74/16/04/1072741604.db2.gz AUTZLFDPLXFTHW-LLVKDONJSA-N 1 2 375.433 -0.425 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c(=O)n(C)c1=O ZINC000425527627 1072741602 /nfs/dbraw/zinc/74/16/02/1072741602.db2.gz AUTZLFDPLXFTHW-LLVKDONJSA-N 1 2 375.433 -0.425 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c(=O)n(C)c1=O ZINC000425527628 1072741550 /nfs/dbraw/zinc/74/15/50/1072741550.db2.gz AUTZLFDPLXFTHW-NSHDSACASA-N 1 2 375.433 -0.425 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c(=O)n(C)c1=O ZINC000425527628 1072741546 /nfs/dbraw/zinc/74/15/46/1072741546.db2.gz AUTZLFDPLXFTHW-NSHDSACASA-N 1 2 375.433 -0.425 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC3(CNC(=O)N3C)CC2)c(=O)[nH]c1=O ZINC000425541334 1072744460 /nfs/dbraw/zinc/74/44/60/1072744460.db2.gz MZZAPIYGVQECFE-UHFFFAOYSA-N 1 2 392.460 -0.141 20 0 GBADLO CCCn1c(N)c(C(=O)C[NH+]2CCC3(CNC(=O)N3C)CC2)c(=O)[nH]c1=O ZINC000425550034 1072746233 /nfs/dbraw/zinc/74/62/33/1072746233.db2.gz YZRHXQHSOBRTKJ-UHFFFAOYSA-N 1 2 378.433 -0.387 20 0 GBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000425585987 530282756 /nfs/dbraw/zinc/28/27/56/530282756.db2.gz JSLMTPPQBXSKEB-LLVKDONJSA-N 1 2 387.428 -0.243 20 0 GBADLO COC(=O)c1conc1C(C)(C)[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000425593268 1072753781 /nfs/dbraw/zinc/75/37/81/1072753781.db2.gz WRIWLKQHUHCOPD-UHFFFAOYSA-N 1 2 390.400 -0.267 20 0 GBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000425598785 530328768 /nfs/dbraw/zinc/32/87/68/530328768.db2.gz JSLMTPPQBXSKEB-NSHDSACASA-N 1 2 387.428 -0.243 20 0 GBADLO CCOC(=O)Cn1cnc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000425697965 1072773920 /nfs/dbraw/zinc/77/39/20/1072773920.db2.gz DTGKHJVRSLLGMB-AWEZNQCLSA-N 1 2 380.449 0.560 20 0 GBADLO CCOC(=O)Cn1cnc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000425697967 1072773713 /nfs/dbraw/zinc/77/37/13/1072773713.db2.gz DTGKHJVRSLLGMB-CQSZACIVSA-N 1 2 380.449 0.560 20 0 GBADLO CCOC(=O)Cn1cnc(NC(=O)N2CC[NH+](C(COC)COC)CC2)n1 ZINC000425707933 1072776245 /nfs/dbraw/zinc/77/62/45/1072776245.db2.gz GARIMBKYUOLJOS-UHFFFAOYSA-N 1 2 384.437 -0.348 20 0 GBADLO CCOC(=O)Cn1cnc(=NC(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)[nH]1 ZINC000425711560 1072777121 /nfs/dbraw/zinc/77/71/21/1072777121.db2.gz NGORZCATCIRLIF-UHFFFAOYSA-N 1 2 376.421 -0.208 20 0 GBADLO CCOC(=O)Cn1cnc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000425727714 1072781844 /nfs/dbraw/zinc/78/18/44/1072781844.db2.gz MEEICOFKRIARIB-INIZCTEOSA-N 1 2 398.489 0.171 20 0 GBADLO CCOC(=O)Cn1cnc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000425727715 1072781643 /nfs/dbraw/zinc/78/16/43/1072781643.db2.gz MEEICOFKRIARIB-MRXNPFEDSA-N 1 2 398.489 0.171 20 0 GBADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000425759491 1072797383 /nfs/dbraw/zinc/79/73/83/1072797383.db2.gz SKDMNDDHCARWCV-CHWSQXEVSA-N 1 2 389.416 0.086 20 0 GBADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000425759492 1072797352 /nfs/dbraw/zinc/79/73/52/1072797352.db2.gz SKDMNDDHCARWCV-OLZOCXBDSA-N 1 2 389.416 0.086 20 0 GBADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000425759493 1072797705 /nfs/dbraw/zinc/79/77/05/1072797705.db2.gz SKDMNDDHCARWCV-QWHCGFSZSA-N 1 2 389.416 0.086 20 0 GBADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000425759494 1072797501 /nfs/dbraw/zinc/79/75/01/1072797501.db2.gz SKDMNDDHCARWCV-STQMWFEESA-N 1 2 389.416 0.086 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC(F)(F)F)n2)CC[N@H+]1CCO ZINC000425763514 1072798267 /nfs/dbraw/zinc/79/82/67/1072798267.db2.gz FRZHXAPKAVDBSS-LLVKDONJSA-N 1 2 377.367 0.299 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC(F)(F)F)n2)CC[N@@H+]1CCO ZINC000425763514 1072798261 /nfs/dbraw/zinc/79/82/61/1072798261.db2.gz FRZHXAPKAVDBSS-LLVKDONJSA-N 1 2 377.367 0.299 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC(F)(F)F)n2)CC[N@H+]1CCO ZINC000425763515 1072798346 /nfs/dbraw/zinc/79/83/46/1072798346.db2.gz FRZHXAPKAVDBSS-NSHDSACASA-N 1 2 377.367 0.299 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC(F)(F)F)n2)CC[N@@H+]1CCO ZINC000425763515 1072798336 /nfs/dbraw/zinc/79/83/36/1072798336.db2.gz FRZHXAPKAVDBSS-NSHDSACASA-N 1 2 377.367 0.299 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(CCC(F)(F)F)n2)CC1 ZINC000425763585 1072798385 /nfs/dbraw/zinc/79/83/85/1072798385.db2.gz GALNUMCRKXAQHL-LLVKDONJSA-N 1 2 377.367 0.299 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(CCC(F)(F)F)n2)CC1 ZINC000425763587 1072798512 /nfs/dbraw/zinc/79/85/12/1072798512.db2.gz GALNUMCRKXAQHL-NSHDSACASA-N 1 2 377.367 0.299 20 0 GBADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000425764810 1072798466 /nfs/dbraw/zinc/79/84/66/1072798466.db2.gz ZIFMKJVNFYHEGT-CYBMUJFWSA-N 1 2 388.384 -0.145 20 0 GBADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000425764812 1072798502 /nfs/dbraw/zinc/79/85/02/1072798502.db2.gz ZIFMKJVNFYHEGT-ZDUSSCGKSA-N 1 2 388.384 -0.145 20 0 GBADLO CCC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000425798050 1072810492 /nfs/dbraw/zinc/81/04/92/1072810492.db2.gz FOEXPIKHYDRAPB-UHFFFAOYSA-N 1 2 378.433 -0.808 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425826539 1072828427 /nfs/dbraw/zinc/82/84/27/1072828427.db2.gz PAFCIRADWONBFY-CYBMUJFWSA-N 1 2 389.412 -0.571 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425826540 1072828412 /nfs/dbraw/zinc/82/84/12/1072828412.db2.gz PAFCIRADWONBFY-ZDUSSCGKSA-N 1 2 389.412 -0.571 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC1 ZINC000425859795 1072835931 /nfs/dbraw/zinc/83/59/31/1072835931.db2.gz XWNUUKBRGXQHSE-GFCCVEGCSA-N 1 2 386.416 -0.658 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 ZINC000425859799 1072835524 /nfs/dbraw/zinc/83/55/24/1072835524.db2.gz XWNUUKBRGXQHSE-LBPRGKRZSA-N 1 2 386.416 -0.658 20 0 GBADLO COc1ccnc(CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)n1 ZINC000425862675 1072835105 /nfs/dbraw/zinc/83/51/05/1072835105.db2.gz KUQHKYFOLIYWAW-AWEZNQCLSA-N 1 2 379.461 -0.036 20 0 GBADLO COc1ccnc(CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)n1 ZINC000425862676 1072834359 /nfs/dbraw/zinc/83/43/59/1072834359.db2.gz KUQHKYFOLIYWAW-CQSZACIVSA-N 1 2 379.461 -0.036 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1)[NH+]1CCOCC1 ZINC000425864978 1072837617 /nfs/dbraw/zinc/83/76/17/1072837617.db2.gz OBPBCRNJKHIZCT-CVEARBPZSA-N 1 2 382.505 -0.166 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN(C)C(=O)C1)[NH+]1CCOCC1 ZINC000425864979 1072837497 /nfs/dbraw/zinc/83/74/97/1072837497.db2.gz OBPBCRNJKHIZCT-HOTGVXAUSA-N 1 2 382.505 -0.166 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1)[NH+]1CCOCC1 ZINC000425864980 1072837441 /nfs/dbraw/zinc/83/74/41/1072837441.db2.gz OBPBCRNJKHIZCT-HZPDHXFCSA-N 1 2 382.505 -0.166 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CCN(C)C(=O)C1)[NH+]1CCOCC1 ZINC000425864981 1072836914 /nfs/dbraw/zinc/83/69/14/1072836914.db2.gz OBPBCRNJKHIZCT-JKSUJKDBSA-N 1 2 382.505 -0.166 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1)[NH+]1CCOCC1 ZINC000425866577 1072835789 /nfs/dbraw/zinc/83/57/89/1072835789.db2.gz QQQJIMHQOHNGSD-CVEARBPZSA-N 1 2 378.477 -0.085 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1)[NH+]1CCOCC1 ZINC000425866581 1072835971 /nfs/dbraw/zinc/83/59/71/1072835971.db2.gz QQQJIMHQOHNGSD-HOTGVXAUSA-N 1 2 378.477 -0.085 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1)[NH+]1CCOCC1 ZINC000425866582 1072835861 /nfs/dbraw/zinc/83/58/61/1072835861.db2.gz QQQJIMHQOHNGSD-HZPDHXFCSA-N 1 2 378.477 -0.085 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1)[NH+]1CCOCC1 ZINC000425866584 1072835751 /nfs/dbraw/zinc/83/57/51/1072835751.db2.gz QQQJIMHQOHNGSD-JKSUJKDBSA-N 1 2 378.477 -0.085 20 0 GBADLO COc1ccnc(CNC(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000425888613 1072843217 /nfs/dbraw/zinc/84/32/17/1072843217.db2.gz DRUIPEWZSDCVKH-AWEZNQCLSA-N 1 2 377.445 -0.329 20 0 GBADLO COc1ccnc(CNC(=O)C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)n1 ZINC000425888613 1072843207 /nfs/dbraw/zinc/84/32/07/1072843207.db2.gz DRUIPEWZSDCVKH-AWEZNQCLSA-N 1 2 377.445 -0.329 20 0 GBADLO COc1ccnc(CNC(=O)C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)n1 ZINC000425888616 1072843677 /nfs/dbraw/zinc/84/36/77/1072843677.db2.gz DRUIPEWZSDCVKH-CQSZACIVSA-N 1 2 377.445 -0.329 20 0 GBADLO COc1ccnc(CNC(=O)C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)n1 ZINC000425888616 1072843673 /nfs/dbraw/zinc/84/36/73/1072843673.db2.gz DRUIPEWZSDCVKH-CQSZACIVSA-N 1 2 377.445 -0.329 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)NCc2nccc(OC)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000425897177 1072846247 /nfs/dbraw/zinc/84/62/47/1072846247.db2.gz ISJRURYGJUXZCN-KBPBESRZSA-N 1 2 377.445 -0.329 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)NCc2nccc(OC)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000425897178 1072846068 /nfs/dbraw/zinc/84/60/68/1072846068.db2.gz ISJRURYGJUXZCN-KGLIPLIRSA-N 1 2 377.445 -0.329 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)NCc2nccc(OC)n2)C[C@H]1[NH+]1CCOCC1 ZINC000425897179 1072846705 /nfs/dbraw/zinc/84/67/05/1072846705.db2.gz ISJRURYGJUXZCN-UONOGXRCSA-N 1 2 377.445 -0.329 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)NCc2nccc(OC)n2)C[C@H]1[NH+]1CCOCC1 ZINC000425897180 1072846166 /nfs/dbraw/zinc/84/61/66/1072846166.db2.gz ISJRURYGJUXZCN-ZIAGYGMSSA-N 1 2 377.445 -0.329 20 0 GBADLO COc1ccnc(CNC(=O)C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000425899954 1072848821 /nfs/dbraw/zinc/84/88/21/1072848821.db2.gz PRUZDNNLTCFNDL-UHFFFAOYSA-N 1 2 387.444 -0.431 20 0 GBADLO COc1ccnc(CNC(=O)C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000425899954 1072848810 /nfs/dbraw/zinc/84/88/10/1072848810.db2.gz PRUZDNNLTCFNDL-UHFFFAOYSA-N 1 2 387.444 -0.431 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2nccc(OC)n2)[C@H](C)C1 ZINC000425901642 1072850382 /nfs/dbraw/zinc/85/03/82/1072850382.db2.gz TVFGBOLVBUKFST-GFCCVEGCSA-N 1 2 379.417 -0.803 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2nccc(OC)n2)[C@H](C)C1 ZINC000425901642 1072850368 /nfs/dbraw/zinc/85/03/68/1072850368.db2.gz TVFGBOLVBUKFST-GFCCVEGCSA-N 1 2 379.417 -0.803 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2nccc(OC)n2)[C@@H](C)C1 ZINC000425901644 1072851029 /nfs/dbraw/zinc/85/10/29/1072851029.db2.gz TVFGBOLVBUKFST-LBPRGKRZSA-N 1 2 379.417 -0.803 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2nccc(OC)n2)[C@@H](C)C1 ZINC000425901644 1072851016 /nfs/dbraw/zinc/85/10/16/1072851016.db2.gz TVFGBOLVBUKFST-LBPRGKRZSA-N 1 2 379.417 -0.803 20 0 GBADLO COc1ccnc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000425903678 1072851547 /nfs/dbraw/zinc/85/15/47/1072851547.db2.gz ZDYRHOPJIOZZSM-AWEZNQCLSA-N 1 2 377.445 -0.185 20 0 GBADLO COc1ccnc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000425903681 1072852317 /nfs/dbraw/zinc/85/23/17/1072852317.db2.gz ZDYRHOPJIOZZSM-CQSZACIVSA-N 1 2 377.445 -0.185 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000425905199 1072852006 /nfs/dbraw/zinc/85/20/06/1072852006.db2.gz ORRZDSLZNSXJFA-KBPBESRZSA-N 1 2 382.461 -0.933 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000425905199 1072851985 /nfs/dbraw/zinc/85/19/85/1072851985.db2.gz ORRZDSLZNSXJFA-KBPBESRZSA-N 1 2 382.461 -0.933 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000425905200 1072851363 /nfs/dbraw/zinc/85/13/63/1072851363.db2.gz ORRZDSLZNSXJFA-KGLIPLIRSA-N 1 2 382.461 -0.933 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000425905200 1072851354 /nfs/dbraw/zinc/85/13/54/1072851354.db2.gz ORRZDSLZNSXJFA-KGLIPLIRSA-N 1 2 382.461 -0.933 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000425905201 1072851469 /nfs/dbraw/zinc/85/14/69/1072851469.db2.gz ORRZDSLZNSXJFA-UONOGXRCSA-N 1 2 382.461 -0.933 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000425905201 1072851459 /nfs/dbraw/zinc/85/14/59/1072851459.db2.gz ORRZDSLZNSXJFA-UONOGXRCSA-N 1 2 382.461 -0.933 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000425905202 1072852112 /nfs/dbraw/zinc/85/21/12/1072852112.db2.gz ORRZDSLZNSXJFA-ZIAGYGMSSA-N 1 2 382.461 -0.933 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000425905202 1072852097 /nfs/dbraw/zinc/85/20/97/1072852097.db2.gz ORRZDSLZNSXJFA-ZIAGYGMSSA-N 1 2 382.461 -0.933 20 0 GBADLO CN1CC[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000425905688 1072852536 /nfs/dbraw/zinc/85/25/36/1072852536.db2.gz RCVWHRYQFNBAIO-CVEARBPZSA-N 1 2 380.489 -0.316 20 0 GBADLO CN1CC[C@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000425905689 1072852754 /nfs/dbraw/zinc/85/27/54/1072852754.db2.gz RCVWHRYQFNBAIO-HOTGVXAUSA-N 1 2 380.489 -0.316 20 0 GBADLO CN1CC[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000425905690 1072853116 /nfs/dbraw/zinc/85/31/16/1072853116.db2.gz RCVWHRYQFNBAIO-HZPDHXFCSA-N 1 2 380.489 -0.316 20 0 GBADLO CN1CC[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000425905691 1072853209 /nfs/dbraw/zinc/85/32/09/1072853209.db2.gz RCVWHRYQFNBAIO-JKSUJKDBSA-N 1 2 380.489 -0.316 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC000425906011 1072852805 /nfs/dbraw/zinc/85/28/05/1072852805.db2.gz SISQTLNERSIQQG-ARFHVFGLSA-N 1 2 380.489 -0.460 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC000425906012 1072853284 /nfs/dbraw/zinc/85/32/84/1072853284.db2.gz SISQTLNERSIQQG-BZUAXINKSA-N 1 2 380.489 -0.460 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000425906013 1072853082 /nfs/dbraw/zinc/85/30/82/1072853082.db2.gz SISQTLNERSIQQG-OAGGEKHMSA-N 1 2 380.489 -0.460 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000425906014 1072852588 /nfs/dbraw/zinc/85/25/88/1072852588.db2.gz SISQTLNERSIQQG-XHSDSOJGSA-N 1 2 380.489 -0.460 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)CCO1 ZINC000425950145 1072867908 /nfs/dbraw/zinc/86/79/08/1072867908.db2.gz KRIOIYWBISWKAI-AWEZNQCLSA-N 1 2 385.490 -0.230 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)CCO1 ZINC000425950145 1072867903 /nfs/dbraw/zinc/86/79/03/1072867903.db2.gz KRIOIYWBISWKAI-AWEZNQCLSA-N 1 2 385.490 -0.230 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)CCO1 ZINC000425950149 1072867925 /nfs/dbraw/zinc/86/79/25/1072867925.db2.gz KRIOIYWBISWKAI-CQSZACIVSA-N 1 2 385.490 -0.230 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)CCO1 ZINC000425950149 1072867922 /nfs/dbraw/zinc/86/79/22/1072867922.db2.gz KRIOIYWBISWKAI-CQSZACIVSA-N 1 2 385.490 -0.230 20 0 GBADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC000425952576 1072867723 /nfs/dbraw/zinc/86/77/23/1072867723.db2.gz TUFZVLSQLVHVHK-CABCVRRESA-N 1 2 381.477 0.502 20 0 GBADLO COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC000425952578 1072867842 /nfs/dbraw/zinc/86/78/42/1072867842.db2.gz TUFZVLSQLVHVHK-GJZGRUSLSA-N 1 2 381.477 0.502 20 0 GBADLO COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC000425952679 1072868027 /nfs/dbraw/zinc/86/80/27/1072868027.db2.gz TUFZVLSQLVHVHK-LSDHHAIUSA-N 1 2 381.477 0.502 20 0 GBADLO C[C@H](O)CCN(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000426023220 1072889361 /nfs/dbraw/zinc/88/93/61/1072889361.db2.gz SOBTZCYQYLCQCL-HNNXBMFYSA-N 1 2 399.517 -0.054 20 0 GBADLO C[C@@H](O)CCN(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000426023221 1072889184 /nfs/dbraw/zinc/88/91/84/1072889184.db2.gz SOBTZCYQYLCQCL-OAHLLOKOSA-N 1 2 399.517 -0.054 20 0 GBADLO CCS(=O)(=O)N(C)CCCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426044168 530282231 /nfs/dbraw/zinc/28/22/31/530282231.db2.gz RGGQUGDBTOJMGQ-UHFFFAOYSA-N 1 2 377.511 -0.751 20 0 GBADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000426055808 530282714 /nfs/dbraw/zinc/28/27/14/530282714.db2.gz UYXVICMEAHTQBP-UHFFFAOYSA-N 1 2 375.495 -0.999 20 0 GBADLO CCN(CCCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)S(C)(=O)=O ZINC000426057567 530282802 /nfs/dbraw/zinc/28/28/02/530282802.db2.gz JFPQCJNLMQRIFB-UHFFFAOYSA-N 1 2 377.511 -0.751 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCO1 ZINC000426069407 1072896627 /nfs/dbraw/zinc/89/66/27/1072896627.db2.gz JPERQCHMFURUQY-AWEZNQCLSA-N 1 2 389.478 -0.496 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCO1 ZINC000426069407 1072896613 /nfs/dbraw/zinc/89/66/13/1072896613.db2.gz JPERQCHMFURUQY-AWEZNQCLSA-N 1 2 389.478 -0.496 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCO1 ZINC000426069408 1072896701 /nfs/dbraw/zinc/89/67/01/1072896701.db2.gz JPERQCHMFURUQY-CQSZACIVSA-N 1 2 389.478 -0.496 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCO1 ZINC000426069408 1072896689 /nfs/dbraw/zinc/89/66/89/1072896689.db2.gz JPERQCHMFURUQY-CQSZACIVSA-N 1 2 389.478 -0.496 20 0 GBADLO C[C@@H]1C(=O)N(C)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000426142881 1072909980 /nfs/dbraw/zinc/90/99/80/1072909980.db2.gz WWTAOSWRWWITCP-CYBMUJFWSA-N 1 2 386.460 -0.826 20 0 GBADLO C[C@H]1C(=O)N(C)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000426142882 1072909463 /nfs/dbraw/zinc/90/94/63/1072909463.db2.gz WWTAOSWRWWITCP-ZDUSSCGKSA-N 1 2 386.460 -0.826 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000426183080 530374880 /nfs/dbraw/zinc/37/48/80/530374880.db2.gz JFFYBIPAORHIMD-CYBMUJFWSA-N 1 2 375.491 -0.008 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000426183080 530374879 /nfs/dbraw/zinc/37/48/79/530374879.db2.gz JFFYBIPAORHIMD-CYBMUJFWSA-N 1 2 375.491 -0.008 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000426183086 530374976 /nfs/dbraw/zinc/37/49/76/530374976.db2.gz JFFYBIPAORHIMD-ZDUSSCGKSA-N 1 2 375.491 -0.008 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000426183086 530374974 /nfs/dbraw/zinc/37/49/74/530374974.db2.gz JFFYBIPAORHIMD-ZDUSSCGKSA-N 1 2 375.491 -0.008 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000426185943 530374806 /nfs/dbraw/zinc/37/48/06/530374806.db2.gz FJXLHJQBPBAIDF-GFCCVEGCSA-N 1 2 390.487 -0.714 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000426185943 530374803 /nfs/dbraw/zinc/37/48/03/530374803.db2.gz FJXLHJQBPBAIDF-GFCCVEGCSA-N 1 2 390.487 -0.714 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000426185944 530374731 /nfs/dbraw/zinc/37/47/31/530374731.db2.gz FJXLHJQBPBAIDF-LBPRGKRZSA-N 1 2 390.487 -0.714 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000426185944 530374730 /nfs/dbraw/zinc/37/47/30/530374730.db2.gz FJXLHJQBPBAIDF-LBPRGKRZSA-N 1 2 390.487 -0.714 20 0 GBADLO C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C(N)=O)C1 ZINC000426221941 1072919301 /nfs/dbraw/zinc/91/93/01/1072919301.db2.gz GDNYYDUBRLIPDJ-DOMZBBRYSA-N 1 2 382.486 -0.422 20 0 GBADLO C[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C(N)=O)C1 ZINC000426221941 1072919296 /nfs/dbraw/zinc/91/92/96/1072919296.db2.gz GDNYYDUBRLIPDJ-DOMZBBRYSA-N 1 2 382.486 -0.422 20 0 GBADLO C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](C(N)=O)C1 ZINC000426221942 1072919433 /nfs/dbraw/zinc/91/94/33/1072919433.db2.gz GDNYYDUBRLIPDJ-IUODEOHRSA-N 1 2 382.486 -0.422 20 0 GBADLO C[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](C(N)=O)C1 ZINC000426221942 1072919427 /nfs/dbraw/zinc/91/94/27/1072919427.db2.gz GDNYYDUBRLIPDJ-IUODEOHRSA-N 1 2 382.486 -0.422 20 0 GBADLO C[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](C(N)=O)C1 ZINC000426221943 1072919536 /nfs/dbraw/zinc/91/95/36/1072919536.db2.gz GDNYYDUBRLIPDJ-SWLSCSKDSA-N 1 2 382.486 -0.422 20 0 GBADLO C[C@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](C(N)=O)C1 ZINC000426221943 1072919533 /nfs/dbraw/zinc/91/95/33/1072919533.db2.gz GDNYYDUBRLIPDJ-SWLSCSKDSA-N 1 2 382.486 -0.422 20 0 GBADLO C[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C(N)=O)C1 ZINC000426221944 1072919387 /nfs/dbraw/zinc/91/93/87/1072919387.db2.gz GDNYYDUBRLIPDJ-WFASDCNBSA-N 1 2 382.486 -0.422 20 0 GBADLO C[C@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C(N)=O)C1 ZINC000426221944 1072919382 /nfs/dbraw/zinc/91/93/82/1072919382.db2.gz GDNYYDUBRLIPDJ-WFASDCNBSA-N 1 2 382.486 -0.422 20 0 GBADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@H](C(N)=O)C1 ZINC000426225501 1072920596 /nfs/dbraw/zinc/92/05/96/1072920596.db2.gz ZCMMZRYMPHOFNQ-CABCVRRESA-N 1 2 381.521 -0.369 20 0 GBADLO C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@H](C(N)=O)C1 ZINC000426225501 1072920589 /nfs/dbraw/zinc/92/05/89/1072920589.db2.gz ZCMMZRYMPHOFNQ-CABCVRRESA-N 1 2 381.521 -0.369 20 0 GBADLO C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@H](C(N)=O)C1 ZINC000426225510 1072920409 /nfs/dbraw/zinc/92/04/09/1072920409.db2.gz ZCMMZRYMPHOFNQ-GJZGRUSLSA-N 1 2 381.521 -0.369 20 0 GBADLO C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@H](C(N)=O)C1 ZINC000426225510 1072920401 /nfs/dbraw/zinc/92/04/01/1072920401.db2.gz ZCMMZRYMPHOFNQ-GJZGRUSLSA-N 1 2 381.521 -0.369 20 0 GBADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H](C(N)=O)C1 ZINC000426225511 1072920185 /nfs/dbraw/zinc/92/01/85/1072920185.db2.gz ZCMMZRYMPHOFNQ-HUUCEWRRSA-N 1 2 381.521 -0.369 20 0 GBADLO C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H](C(N)=O)C1 ZINC000426225511 1072920175 /nfs/dbraw/zinc/92/01/75/1072920175.db2.gz ZCMMZRYMPHOFNQ-HUUCEWRRSA-N 1 2 381.521 -0.369 20 0 GBADLO C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H](C(N)=O)C1 ZINC000426225513 1072920151 /nfs/dbraw/zinc/92/01/51/1072920151.db2.gz ZCMMZRYMPHOFNQ-LSDHHAIUSA-N 1 2 381.521 -0.369 20 0 GBADLO C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H](C(N)=O)C1 ZINC000426225513 1072920142 /nfs/dbraw/zinc/92/01/42/1072920142.db2.gz ZCMMZRYMPHOFNQ-LSDHHAIUSA-N 1 2 381.521 -0.369 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O)S(C)(=O)=O ZINC000426263883 530374624 /nfs/dbraw/zinc/37/46/24/530374624.db2.gz AZKRDXLBDMWMNO-KBPBESRZSA-N 1 2 376.523 -0.252 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O)S(C)(=O)=O ZINC000426263883 530374622 /nfs/dbraw/zinc/37/46/22/530374622.db2.gz AZKRDXLBDMWMNO-KBPBESRZSA-N 1 2 376.523 -0.252 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O)S(C)(=O)=O ZINC000426263884 530374961 /nfs/dbraw/zinc/37/49/61/530374961.db2.gz AZKRDXLBDMWMNO-KGLIPLIRSA-N 1 2 376.523 -0.252 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O)S(C)(=O)=O ZINC000426263884 530374959 /nfs/dbraw/zinc/37/49/59/530374959.db2.gz AZKRDXLBDMWMNO-KGLIPLIRSA-N 1 2 376.523 -0.252 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O)S(C)(=O)=O ZINC000426263885 530374849 /nfs/dbraw/zinc/37/48/49/530374849.db2.gz AZKRDXLBDMWMNO-UONOGXRCSA-N 1 2 376.523 -0.252 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O)S(C)(=O)=O ZINC000426263885 530374848 /nfs/dbraw/zinc/37/48/48/530374848.db2.gz AZKRDXLBDMWMNO-UONOGXRCSA-N 1 2 376.523 -0.252 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O)S(C)(=O)=O ZINC000426263886 530374828 /nfs/dbraw/zinc/37/48/28/530374828.db2.gz AZKRDXLBDMWMNO-ZIAGYGMSSA-N 1 2 376.523 -0.252 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O)S(C)(=O)=O ZINC000426263886 530374827 /nfs/dbraw/zinc/37/48/27/530374827.db2.gz AZKRDXLBDMWMNO-ZIAGYGMSSA-N 1 2 376.523 -0.252 20 0 GBADLO O=C(CN1CCn2c(CO)nnc2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000426425554 1072956699 /nfs/dbraw/zinc/95/66/99/1072956699.db2.gz BPPDALVUSUXIBG-UHFFFAOYSA-N 1 2 376.486 -0.008 20 0 GBADLO O=C(CN1CCn2c(CO)nnc2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000426453148 1072962594 /nfs/dbraw/zinc/96/25/94/1072962594.db2.gz CUSHFIGOXVKYQF-UHFFFAOYSA-N 1 2 376.486 -0.008 20 0 GBADLO Cc1nc2n(n1)CCN(CC(=O)N1CCN(c3[nH+]cnc4c3cnn4C)CC1)C2 ZINC000426464829 1072963485 /nfs/dbraw/zinc/96/34/85/1072963485.db2.gz YDVRRHJRTVTQNN-UHFFFAOYSA-N 1 2 396.459 -0.572 20 0 GBADLO CCCCN(C(=O)CN1CC[N@@H+](CCO)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426465898 530374857 /nfs/dbraw/zinc/37/48/57/530374857.db2.gz CRYSBQSVUMFLDH-CVEARBPZSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCN(C(=O)CN1CC[N@H+](CCO)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426465898 530374855 /nfs/dbraw/zinc/37/48/55/530374855.db2.gz CRYSBQSVUMFLDH-CVEARBPZSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCN(C(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426465899 530374681 /nfs/dbraw/zinc/37/46/81/530374681.db2.gz CRYSBQSVUMFLDH-HOTGVXAUSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCN(C(=O)CN1CC[N@H+](CCO)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426465899 530374678 /nfs/dbraw/zinc/37/46/78/530374678.db2.gz CRYSBQSVUMFLDH-HOTGVXAUSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCN(C(=O)CN1CC[N@@H+](CCO)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426465900 530374987 /nfs/dbraw/zinc/37/49/87/530374987.db2.gz CRYSBQSVUMFLDH-HZPDHXFCSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCN(C(=O)CN1CC[N@H+](CCO)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426465900 530374986 /nfs/dbraw/zinc/37/49/86/530374986.db2.gz CRYSBQSVUMFLDH-HZPDHXFCSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCN(C(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426465901 530374709 /nfs/dbraw/zinc/37/47/09/530374709.db2.gz CRYSBQSVUMFLDH-JKSUJKDBSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCN(C(=O)CN1CC[N@H+](CCO)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426465901 530374707 /nfs/dbraw/zinc/37/47/07/530374707.db2.gz CRYSBQSVUMFLDH-JKSUJKDBSA-N 1 2 375.535 -0.199 20 0 GBADLO CCc1nc(CN2CC[NH+](CCNS(=O)(=O)CCCOC)CC2)no1 ZINC000426469939 530374606 /nfs/dbraw/zinc/37/46/06/530374606.db2.gz JOMHADDAGWSXCH-UHFFFAOYSA-N 1 2 375.495 -0.295 20 0 GBADLO CC(C)CN(C(=O)CN1CC[N@@H+](CCO)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426493489 530374907 /nfs/dbraw/zinc/37/49/07/530374907.db2.gz BWVZTOWVXFWVFE-CVEARBPZSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)CN(C(=O)CN1CC[N@H+](CCO)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426493489 530374905 /nfs/dbraw/zinc/37/49/05/530374905.db2.gz BWVZTOWVXFWVFE-CVEARBPZSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)CN(C(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426493490 530374812 /nfs/dbraw/zinc/37/48/12/530374812.db2.gz BWVZTOWVXFWVFE-HOTGVXAUSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)CN(C(=O)CN1CC[N@H+](CCO)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426493490 530374810 /nfs/dbraw/zinc/37/48/10/530374810.db2.gz BWVZTOWVXFWVFE-HOTGVXAUSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)CN(C(=O)CN1CC[N@@H+](CCO)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426493491 530374689 /nfs/dbraw/zinc/37/46/89/530374689.db2.gz BWVZTOWVXFWVFE-HZPDHXFCSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)CN(C(=O)CN1CC[N@H+](CCO)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426493491 530374687 /nfs/dbraw/zinc/37/46/87/530374687.db2.gz BWVZTOWVXFWVFE-HZPDHXFCSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)CN(C(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426493492 530110343 /nfs/dbraw/zinc/11/03/43/530110343.db2.gz BWVZTOWVXFWVFE-JKSUJKDBSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)CN(C(=O)CN1CC[N@H+](CCO)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426493492 530110342 /nfs/dbraw/zinc/11/03/42/530110342.db2.gz BWVZTOWVXFWVFE-JKSUJKDBSA-N 1 2 375.535 -0.344 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[N@@H+](CCO)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426493499 530374832 /nfs/dbraw/zinc/37/48/32/530374832.db2.gz BZTSRMZENNAYMT-HRCADAONSA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[N@H+](CCO)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426493499 530374831 /nfs/dbraw/zinc/37/48/31/530374831.db2.gz BZTSRMZENNAYMT-HRCADAONSA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[N@@H+](CCO)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426493500 530374646 /nfs/dbraw/zinc/37/46/46/530374646.db2.gz BZTSRMZENNAYMT-JYJNAYRXSA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[N@H+](CCO)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426493500 530374643 /nfs/dbraw/zinc/37/46/43/530374643.db2.gz BZTSRMZENNAYMT-JYJNAYRXSA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[N@@H+](CCO)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426493501 530374774 /nfs/dbraw/zinc/37/47/74/530374774.db2.gz BZTSRMZENNAYMT-OWCLPIDISA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[N@H+](CCO)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000426493501 530374772 /nfs/dbraw/zinc/37/47/72/530374772.db2.gz BZTSRMZENNAYMT-OWCLPIDISA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[N@@H+](CCO)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426493502 530374862 /nfs/dbraw/zinc/37/48/62/530374862.db2.gz BZTSRMZENNAYMT-PMPSAXMXSA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[N@H+](CCO)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000426493502 530374861 /nfs/dbraw/zinc/37/48/61/530374861.db2.gz BZTSRMZENNAYMT-PMPSAXMXSA-N 1 2 375.535 -0.201 20 0 GBADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000426494152 1073293608 /nfs/dbraw/zinc/29/36/08/1073293608.db2.gz FYMNOPASISMOAQ-LLVKDONJSA-N 1 2 377.426 -0.263 20 0 GBADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000426494153 1073293940 /nfs/dbraw/zinc/29/39/40/1073293940.db2.gz FYMNOPASISMOAQ-NSHDSACASA-N 1 2 377.426 -0.263 20 0 GBADLO NC(=O)c1cncc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000426543919 1072982152 /nfs/dbraw/zinc/98/21/52/1072982152.db2.gz KRCIUAUPOGSVSU-UHFFFAOYSA-N 1 2 391.457 -0.466 20 0 GBADLO CCCc1cc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n[nH]1 ZINC000426572597 1072988494 /nfs/dbraw/zinc/98/84/94/1072988494.db2.gz DXJNFLCZYZYEBZ-UHFFFAOYSA-N 1 2 375.433 0.468 20 0 GBADLO COCCc1nsc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000426597631 530374902 /nfs/dbraw/zinc/37/49/02/530374902.db2.gz BZCQAJYIWXUCAF-UHFFFAOYSA-N 1 2 390.535 -0.659 20 0 GBADLO COCc1nsc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000426598931 530374971 /nfs/dbraw/zinc/37/49/71/530374971.db2.gz RDXXYWGMSVPNAQ-UHFFFAOYSA-N 1 2 376.508 -0.701 20 0 GBADLO COCCN1CCN(c2nc(OC)nc(N3CC[NH+](CCOC)CC3)n2)CC1 ZINC000426610864 1072994228 /nfs/dbraw/zinc/99/42/28/1072994228.db2.gz GVEBHPXFCXXHPF-UHFFFAOYSA-N 1 2 395.508 -0.583 20 0 GBADLO NC(=O)c1cc(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)on1 ZINC000426799641 1073040949 /nfs/dbraw/zinc/04/09/49/1073040949.db2.gz LKTYIETYWRIIRB-UHFFFAOYSA-N 1 2 386.412 -0.086 20 0 GBADLO CO[C@H](C)c1noc(CN2CCC[N@@H+](CC(=O)N3CCNC(=O)C3)CC2)n1 ZINC000426828382 1073042001 /nfs/dbraw/zinc/04/20/01/1073042001.db2.gz LGGTXCSLTXIYAV-CYBMUJFWSA-N 1 2 380.449 -0.757 20 0 GBADLO CO[C@H](C)c1noc(CN2CCC[N@H+](CC(=O)N3CCNC(=O)C3)CC2)n1 ZINC000426828382 1073041987 /nfs/dbraw/zinc/04/19/87/1073041987.db2.gz LGGTXCSLTXIYAV-CYBMUJFWSA-N 1 2 380.449 -0.757 20 0 GBADLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](CC(=O)N3CCNC(=O)C3)CC2)n1 ZINC000426828388 1073041961 /nfs/dbraw/zinc/04/19/61/1073041961.db2.gz LGGTXCSLTXIYAV-ZDUSSCGKSA-N 1 2 380.449 -0.757 20 0 GBADLO CO[C@@H](C)c1noc(CN2CCC[N@H+](CC(=O)N3CCNC(=O)C3)CC2)n1 ZINC000426828388 1073041950 /nfs/dbraw/zinc/04/19/50/1073041950.db2.gz LGGTXCSLTXIYAV-ZDUSSCGKSA-N 1 2 380.449 -0.757 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3C[C@H](O)C3(C)C)ccn2)CC1 ZINC000426849865 1073042754 /nfs/dbraw/zinc/04/27/54/1073042754.db2.gz GNQQYPZNDGKMAH-CABCVRRESA-N 1 2 389.456 -0.317 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3C[C@H](O)C3(C)C)ccn2)CC1 ZINC000426849867 1073042704 /nfs/dbraw/zinc/04/27/04/1073042704.db2.gz GNQQYPZNDGKMAH-GJZGRUSLSA-N 1 2 389.456 -0.317 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H]3C[C@@H](O)C3(C)C)ccn2)CC1 ZINC000426849868 1073042879 /nfs/dbraw/zinc/04/28/79/1073042879.db2.gz GNQQYPZNDGKMAH-HUUCEWRRSA-N 1 2 389.456 -0.317 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3C[C@@H](O)C3(C)C)ccn2)CC1 ZINC000426849869 1073042858 /nfs/dbraw/zinc/04/28/58/1073042858.db2.gz GNQQYPZNDGKMAH-LSDHHAIUSA-N 1 2 389.456 -0.317 20 0 GBADLO NC(=O)c1ncccc1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000426871851 1073043923 /nfs/dbraw/zinc/04/39/23/1073043923.db2.gz QDGDJGQAXULRCK-UHFFFAOYSA-N 1 2 397.439 -0.231 20 0 GBADLO NC(=O)c1ncccc1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000426871851 1073043912 /nfs/dbraw/zinc/04/39/12/1073043912.db2.gz QDGDJGQAXULRCK-UHFFFAOYSA-N 1 2 397.439 -0.231 20 0 GBADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)n1 ZINC000426948793 1073046767 /nfs/dbraw/zinc/04/67/67/1073046767.db2.gz PSVMVICHYAODKF-KBPBESRZSA-N 1 2 395.460 0.125 20 0 GBADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)n1 ZINC000426948794 1073047156 /nfs/dbraw/zinc/04/71/56/1073047156.db2.gz PSVMVICHYAODKF-KGLIPLIRSA-N 1 2 395.460 0.125 20 0 GBADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)n1 ZINC000426948795 1073046929 /nfs/dbraw/zinc/04/69/29/1073046929.db2.gz PSVMVICHYAODKF-UONOGXRCSA-N 1 2 395.460 0.125 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000427014892 1073049735 /nfs/dbraw/zinc/04/97/35/1073049735.db2.gz GDWUUGFZADFRTM-LBPRGKRZSA-N 1 2 384.458 -0.942 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)CC1 ZINC000427015995 1073049613 /nfs/dbraw/zinc/04/96/13/1073049613.db2.gz LJBNOIXQCFYDJJ-ZDUSSCGKSA-N 1 2 383.470 -0.305 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1S(C)(=O)=O ZINC000427021439 1073051278 /nfs/dbraw/zinc/05/12/78/1073051278.db2.gz FSHVYMVOCZOOQW-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427022988 1073051474 /nfs/dbraw/zinc/05/14/74/1073051474.db2.gz YVQVTVNLBWCJLT-AWEZNQCLSA-N 1 2 392.456 -0.335 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000427023984 1073051448 /nfs/dbraw/zinc/05/14/48/1073051448.db2.gz QLFXCLZOUXQKIT-ZDUSSCGKSA-N 1 2 398.485 -0.600 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000427026476 1073050475 /nfs/dbraw/zinc/05/04/75/1073050475.db2.gz CZCLAFXEWYUGAI-NSHDSACASA-N 1 2 390.362 -0.126 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1S(C)(=O)=O ZINC000427028069 1073050214 /nfs/dbraw/zinc/05/02/14/1073050214.db2.gz QEJPQNCAQCWTCK-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 ZINC000427028561 1073050489 /nfs/dbraw/zinc/05/04/89/1073050489.db2.gz RJTUOADRZDOOBG-ZDUSSCGKSA-N 1 2 375.429 -0.320 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000427032556 1073050411 /nfs/dbraw/zinc/05/04/11/1073050411.db2.gz CZOOBOXMGPHZNH-AWEZNQCLSA-N 1 2 377.445 -0.618 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1NS(C)(=O)=O ZINC000427036250 1073051300 /nfs/dbraw/zinc/05/13/00/1073051300.db2.gz XOHRYHQRDZLDCE-ZDUSSCGKSA-N 1 2 398.485 -0.170 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000427039320 1073051346 /nfs/dbraw/zinc/05/13/46/1073051346.db2.gz WTOMUTDOYALGLA-ZDUSSCGKSA-N 1 2 383.470 -0.305 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000427040681 1073052207 /nfs/dbraw/zinc/05/22/07/1073052207.db2.gz KUBWBYXRXIZRLC-DOMZBBRYSA-N 1 2 383.408 -0.146 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000427040682 1073052052 /nfs/dbraw/zinc/05/20/52/1073052052.db2.gz KUBWBYXRXIZRLC-IUODEOHRSA-N 1 2 383.408 -0.146 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000427040683 1073052321 /nfs/dbraw/zinc/05/23/21/1073052321.db2.gz KUBWBYXRXIZRLC-SWLSCSKDSA-N 1 2 383.408 -0.146 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000427040684 1073052276 /nfs/dbraw/zinc/05/22/76/1073052276.db2.gz KUBWBYXRXIZRLC-WFASDCNBSA-N 1 2 383.408 -0.146 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000427042072 1073051539 /nfs/dbraw/zinc/05/15/39/1073051539.db2.gz WZPRQDQIGZARTP-ZDUSSCGKSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1 ZINC000427042724 1073051686 /nfs/dbraw/zinc/05/16/86/1073051686.db2.gz DWXSWZIYXMIUGG-HNNXBMFYSA-N 1 2 399.451 -0.245 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1OCC(N)=O ZINC000427042788 1073051577 /nfs/dbraw/zinc/05/15/77/1073051577.db2.gz ZYASLNJJCVPHPK-LBPRGKRZSA-N 1 2 394.428 -0.977 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)C[C@H]1C ZINC000427083163 1073053481 /nfs/dbraw/zinc/05/34/81/1073053481.db2.gz XLAUCYNAZHKQIG-LLVKDONJSA-N 1 2 377.405 -0.273 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)C[C@H]1C ZINC000427083163 1073053476 /nfs/dbraw/zinc/05/34/76/1073053476.db2.gz XLAUCYNAZHKQIG-LLVKDONJSA-N 1 2 377.405 -0.273 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)C[C@@H]1C ZINC000427083164 1073053443 /nfs/dbraw/zinc/05/34/43/1073053443.db2.gz XLAUCYNAZHKQIG-NSHDSACASA-N 1 2 377.405 -0.273 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cn(Cc3noc(C)n3)nn2)C[C@@H]1C ZINC000427083164 1073053438 /nfs/dbraw/zinc/05/34/38/1073053438.db2.gz XLAUCYNAZHKQIG-NSHDSACASA-N 1 2 377.405 -0.273 20 0 GBADLO O=C(Nc1ccc(Cc2nn[nH]n2)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000427088686 1073053929 /nfs/dbraw/zinc/05/39/29/1073053929.db2.gz VCLVJXKDYKKARX-HNNXBMFYSA-N 1 2 399.455 -0.090 20 0 GBADLO O=C(Nc1ccc(Cc2nn[nH]n2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000427088687 1073054389 /nfs/dbraw/zinc/05/43/89/1073054389.db2.gz VCLVJXKDYKKARX-OAHLLOKOSA-N 1 2 399.455 -0.090 20 0 GBADLO CN(CCCn1cc[nH+]c1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000427108538 1073054101 /nfs/dbraw/zinc/05/41/01/1073054101.db2.gz QWTZSXVIWVLVIO-UHFFFAOYSA-N 1 2 393.425 -0.013 20 0 GBADLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cccc1N1CCNC1=O ZINC000427289025 1073063737 /nfs/dbraw/zinc/06/37/37/1073063737.db2.gz SQODGYHMIXHWGM-CYBMUJFWSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cccc1N1CCNC1=O ZINC000427289025 1073063725 /nfs/dbraw/zinc/06/37/25/1073063725.db2.gz SQODGYHMIXHWGM-CYBMUJFWSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cccc1N1CCNC1=O ZINC000427289026 1073064195 /nfs/dbraw/zinc/06/41/95/1073064195.db2.gz SQODGYHMIXHWGM-ZDUSSCGKSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cccc1N1CCNC1=O ZINC000427289026 1073064185 /nfs/dbraw/zinc/06/41/85/1073064185.db2.gz SQODGYHMIXHWGM-ZDUSSCGKSA-N 1 2 389.456 -0.012 20 0 GBADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000427290740 1073064146 /nfs/dbraw/zinc/06/41/46/1073064146.db2.gz WQUXMLKTPWDYRM-UHFFFAOYSA-N 1 2 377.426 -0.182 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1N1CCNC1=O ZINC000427291128 1073063827 /nfs/dbraw/zinc/06/38/27/1073063827.db2.gz DOGBAZZTWAGXDY-AWEZNQCLSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1N1CCNC1=O ZINC000427291128 1073063819 /nfs/dbraw/zinc/06/38/19/1073063819.db2.gz DOGBAZZTWAGXDY-AWEZNQCLSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1N1CCNC1=O ZINC000427291129 1073064018 /nfs/dbraw/zinc/06/40/18/1073064018.db2.gz DOGBAZZTWAGXDY-CQSZACIVSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1N1CCNC1=O ZINC000427291129 1073064010 /nfs/dbraw/zinc/06/40/10/1073064010.db2.gz DOGBAZZTWAGXDY-CQSZACIVSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cccc1N1CCNC1=O ZINC000427292180 1073064815 /nfs/dbraw/zinc/06/48/15/1073064815.db2.gz NTQXJLLIFPPBFP-ZDUSSCGKSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1N1CCNC1=O ZINC000427293191 1073065256 /nfs/dbraw/zinc/06/52/56/1073065256.db2.gz YKZIAZNGDJLLKI-AWEZNQCLSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cccc1N1CCNC1=O ZINC000427301532 1073064933 /nfs/dbraw/zinc/06/49/33/1073064933.db2.gz JVSBSDDULLCJPT-UHFFFAOYSA-N 1 2 375.429 -0.400 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3O)ccn2)CC1 ZINC000427301887 1073065192 /nfs/dbraw/zinc/06/51/92/1073065192.db2.gz ZDSBOPLIAQWGJU-HOCLYGCPSA-N 1 2 389.456 -0.173 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1N1CCNC1=O ZINC000427307215 1073065598 /nfs/dbraw/zinc/06/55/98/1073065598.db2.gz GRELKPAYGJFEPS-UHFFFAOYSA-N 1 2 375.429 -0.400 20 0 GBADLO CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000427310763 1072276027 /nfs/dbraw/zinc/27/60/27/1072276027.db2.gz WTGFOZDJLSDDDN-IBGZPJMESA-N 1 2 389.456 -0.219 20 0 GBADLO CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000427310764 1073066478 /nfs/dbraw/zinc/06/64/78/1073066478.db2.gz WTGFOZDJLSDDDN-LJQANCHMSA-N 1 2 389.456 -0.219 20 0 GBADLO CC1(C)CC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)O1 ZINC000427319821 1073066318 /nfs/dbraw/zinc/06/63/18/1073066318.db2.gz IATCTONPXGZDRJ-AWEZNQCLSA-N 1 2 379.461 0.228 20 0 GBADLO CC1(C)CC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)O1 ZINC000427319823 1073066150 /nfs/dbraw/zinc/06/61/50/1073066150.db2.gz IATCTONPXGZDRJ-CQSZACIVSA-N 1 2 379.461 0.228 20 0 GBADLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cccc1N1CCNC1=O ZINC000427330715 1073066235 /nfs/dbraw/zinc/06/62/35/1073066235.db2.gz NTQXJLLIFPPBFP-CYBMUJFWSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1N1CCNC1=O ZINC000427333355 1073066272 /nfs/dbraw/zinc/06/62/72/1073066272.db2.gz YKZIAZNGDJLLKI-CQSZACIVSA-N 1 2 389.456 -0.012 20 0 GBADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC(C(=O)NCCCO)CC1 ZINC000427374810 1073067409 /nfs/dbraw/zinc/06/74/09/1073067409.db2.gz JUFUNUZGIGOXIW-UHFFFAOYSA-N 1 2 389.500 -0.059 20 0 GBADLO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000427393666 1073068010 /nfs/dbraw/zinc/06/80/10/1073068010.db2.gz BMYYACWOIOFTED-GFCCVEGCSA-N 1 2 378.429 -0.482 20 0 GBADLO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000427393666 1073067998 /nfs/dbraw/zinc/06/79/98/1073067998.db2.gz BMYYACWOIOFTED-GFCCVEGCSA-N 1 2 378.429 -0.482 20 0 GBADLO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000427393667 1073068699 /nfs/dbraw/zinc/06/86/99/1073068699.db2.gz BMYYACWOIOFTED-LBPRGKRZSA-N 1 2 378.429 -0.482 20 0 GBADLO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000427393667 1073068689 /nfs/dbraw/zinc/06/86/89/1073068689.db2.gz BMYYACWOIOFTED-LBPRGKRZSA-N 1 2 378.429 -0.482 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC[N@H+]1CCO ZINC000427395151 1073068044 /nfs/dbraw/zinc/06/80/44/1073068044.db2.gz NRWMYBQWNMMVHG-LLVKDONJSA-N 1 2 387.433 -0.307 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC[N@@H+]1CCO ZINC000427395151 1073068030 /nfs/dbraw/zinc/06/80/30/1073068030.db2.gz NRWMYBQWNMMVHG-LLVKDONJSA-N 1 2 387.433 -0.307 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC[N@H+]1CCO ZINC000427395152 1073067974 /nfs/dbraw/zinc/06/79/74/1073067974.db2.gz NRWMYBQWNMMVHG-NSHDSACASA-N 1 2 387.433 -0.307 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC[N@@H+]1CCO ZINC000427395152 1073067965 /nfs/dbraw/zinc/06/79/65/1073067965.db2.gz NRWMYBQWNMMVHG-NSHDSACASA-N 1 2 387.433 -0.307 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC[N@H+]1CCO ZINC000427395778 1073068324 /nfs/dbraw/zinc/06/83/24/1073068324.db2.gz BVCNGFJUIYZZRW-CYBMUJFWSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000427395778 1073068314 /nfs/dbraw/zinc/06/83/14/1073068314.db2.gz BVCNGFJUIYZZRW-CYBMUJFWSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC[N@H+]1CCO ZINC000427395781 1073068360 /nfs/dbraw/zinc/06/83/60/1073068360.db2.gz BVCNGFJUIYZZRW-ZDUSSCGKSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000427395781 1073068347 /nfs/dbraw/zinc/06/83/47/1073068347.db2.gz BVCNGFJUIYZZRW-ZDUSSCGKSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC[N@H+]1CCO ZINC000427396448 1073068670 /nfs/dbraw/zinc/06/86/70/1073068670.db2.gz SHEYSZLHVOBUHU-CYBMUJFWSA-N 1 2 378.429 -0.596 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC[N@@H+]1CCO ZINC000427396448 1073068664 /nfs/dbraw/zinc/06/86/64/1073068664.db2.gz SHEYSZLHVOBUHU-CYBMUJFWSA-N 1 2 378.429 -0.596 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC[N@H+]1CCO ZINC000427396450 1073068177 /nfs/dbraw/zinc/06/81/77/1073068177.db2.gz SHEYSZLHVOBUHU-ZDUSSCGKSA-N 1 2 378.429 -0.596 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC[N@@H+]1CCO ZINC000427396450 1073068170 /nfs/dbraw/zinc/06/81/70/1073068170.db2.gz SHEYSZLHVOBUHU-ZDUSSCGKSA-N 1 2 378.429 -0.596 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1C ZINC000427396610 1073068201 /nfs/dbraw/zinc/06/82/01/1073068201.db2.gz DJWIEFSEHRICPY-GFCCVEGCSA-N 1 2 398.485 -0.633 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1C ZINC000427396610 1073068190 /nfs/dbraw/zinc/06/81/90/1073068190.db2.gz DJWIEFSEHRICPY-GFCCVEGCSA-N 1 2 398.485 -0.633 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1C ZINC000427396611 1073067768 /nfs/dbraw/zinc/06/77/68/1073067768.db2.gz DJWIEFSEHRICPY-LBPRGKRZSA-N 1 2 398.485 -0.633 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1C ZINC000427396611 1073067754 /nfs/dbraw/zinc/06/77/54/1073067754.db2.gz DJWIEFSEHRICPY-LBPRGKRZSA-N 1 2 398.485 -0.633 20 0 GBADLO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cn1 ZINC000427396950 1073067725 /nfs/dbraw/zinc/06/77/25/1073067725.db2.gz FRDYNNJVSRRZNL-CYBMUJFWSA-N 1 2 395.460 -0.355 20 0 GBADLO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cn1 ZINC000427396950 1073067716 /nfs/dbraw/zinc/06/77/16/1073067716.db2.gz FRDYNNJVSRRZNL-CYBMUJFWSA-N 1 2 395.460 -0.355 20 0 GBADLO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cn1 ZINC000427396951 1073068599 /nfs/dbraw/zinc/06/85/99/1073068599.db2.gz FRDYNNJVSRRZNL-ZDUSSCGKSA-N 1 2 395.460 -0.355 20 0 GBADLO CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cn1 ZINC000427396951 1073068594 /nfs/dbraw/zinc/06/85/94/1073068594.db2.gz FRDYNNJVSRRZNL-ZDUSSCGKSA-N 1 2 395.460 -0.355 20 0 GBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1C ZINC000427397619 1073068529 /nfs/dbraw/zinc/06/85/29/1073068529.db2.gz HRVYECYFTREIBR-CYBMUJFWSA-N 1 2 398.485 -0.633 20 0 GBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1C ZINC000427397619 1073068519 /nfs/dbraw/zinc/06/85/19/1073068519.db2.gz HRVYECYFTREIBR-CYBMUJFWSA-N 1 2 398.485 -0.633 20 0 GBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1C ZINC000427397620 1073068646 /nfs/dbraw/zinc/06/86/46/1073068646.db2.gz HRVYECYFTREIBR-ZDUSSCGKSA-N 1 2 398.485 -0.633 20 0 GBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1C ZINC000427397620 1073068643 /nfs/dbraw/zinc/06/86/43/1073068643.db2.gz HRVYECYFTREIBR-ZDUSSCGKSA-N 1 2 398.485 -0.633 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CC[N@H+]1CCO ZINC000427397927 1073068224 /nfs/dbraw/zinc/06/82/24/1073068224.db2.gz IMGMYQZOQMXERT-GFCCVEGCSA-N 1 2 375.429 -0.106 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CC[N@@H+]1CCO ZINC000427397927 1073068217 /nfs/dbraw/zinc/06/82/17/1073068217.db2.gz IMGMYQZOQMXERT-GFCCVEGCSA-N 1 2 375.429 -0.106 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CC[N@H+]1CCO ZINC000427397933 1073067895 /nfs/dbraw/zinc/06/78/95/1073067895.db2.gz IMGMYQZOQMXERT-LBPRGKRZSA-N 1 2 375.429 -0.106 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CC[N@@H+]1CCO ZINC000427397933 1073067887 /nfs/dbraw/zinc/06/78/87/1073067887.db2.gz IMGMYQZOQMXERT-LBPRGKRZSA-N 1 2 375.429 -0.106 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC[N@H+]1CCO ZINC000427398008 1073068079 /nfs/dbraw/zinc/06/80/79/1073068079.db2.gz XMBFWRFHEVNGLR-AWEZNQCLSA-N 1 2 389.456 -0.325 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC[N@@H+]1CCO ZINC000427398008 1073068065 /nfs/dbraw/zinc/06/80/65/1073068065.db2.gz XMBFWRFHEVNGLR-AWEZNQCLSA-N 1 2 389.456 -0.325 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC[N@H+]1CCO ZINC000427398013 1073067931 /nfs/dbraw/zinc/06/79/31/1073067931.db2.gz XMBFWRFHEVNGLR-CQSZACIVSA-N 1 2 389.456 -0.325 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC[N@@H+]1CCO ZINC000427398013 1073067919 /nfs/dbraw/zinc/06/79/19/1073067919.db2.gz XMBFWRFHEVNGLR-CQSZACIVSA-N 1 2 389.456 -0.325 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC[N@H+]1CCO ZINC000427398387 1072431499 /nfs/dbraw/zinc/43/14/99/1072431499.db2.gz YMWSIHSGXUSJGK-CYBMUJFWSA-N 1 2 375.429 -0.320 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC[N@@H+]1CCO ZINC000427398387 1072431492 /nfs/dbraw/zinc/43/14/92/1072431492.db2.gz YMWSIHSGXUSJGK-CYBMUJFWSA-N 1 2 375.429 -0.320 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC[N@H+]1CCO ZINC000427398391 1073068275 /nfs/dbraw/zinc/06/82/75/1073068275.db2.gz YMWSIHSGXUSJGK-ZDUSSCGKSA-N 1 2 375.429 -0.320 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC[N@@H+]1CCO ZINC000427398391 1073068266 /nfs/dbraw/zinc/06/82/66/1073068266.db2.gz YMWSIHSGXUSJGK-ZDUSSCGKSA-N 1 2 375.429 -0.320 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC[N@H+]1CCO ZINC000427400616 1073067798 /nfs/dbraw/zinc/06/77/98/1073067798.db2.gz RURFAUGILWAGCO-CYBMUJFWSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC[N@@H+]1CCO ZINC000427400616 1073067786 /nfs/dbraw/zinc/06/77/86/1073067786.db2.gz RURFAUGILWAGCO-CYBMUJFWSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC[N@H+]1CCO ZINC000427400617 1073067867 /nfs/dbraw/zinc/06/78/67/1073067867.db2.gz RURFAUGILWAGCO-ZDUSSCGKSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC[N@@H+]1CCO ZINC000427400617 1073067858 /nfs/dbraw/zinc/06/78/58/1073067858.db2.gz RURFAUGILWAGCO-ZDUSSCGKSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC[N@H+]1CCO ZINC000427401230 1073068421 /nfs/dbraw/zinc/06/84/21/1073068421.db2.gz VAKKYEHHLSNATH-AWEZNQCLSA-N 1 2 397.497 -0.263 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000427401230 1073068411 /nfs/dbraw/zinc/06/84/11/1073068411.db2.gz VAKKYEHHLSNATH-AWEZNQCLSA-N 1 2 397.497 -0.263 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC[N@H+]1CCO ZINC000427401232 1073068753 /nfs/dbraw/zinc/06/87/53/1073068753.db2.gz VAKKYEHHLSNATH-CQSZACIVSA-N 1 2 397.497 -0.263 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000427401232 1073068739 /nfs/dbraw/zinc/06/87/39/1073068739.db2.gz VAKKYEHHLSNATH-CQSZACIVSA-N 1 2 397.497 -0.263 20 0 GBADLO CC[C@]1(CO)CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000427403055 1073069589 /nfs/dbraw/zinc/06/95/89/1073069589.db2.gz FFXRCZNDHSAWOO-IBGZPJMESA-N 1 2 393.488 0.165 20 0 GBADLO CC[C@@]1(CO)CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000427403056 1073069169 /nfs/dbraw/zinc/06/91/69/1073069169.db2.gz FFXRCZNDHSAWOO-LJQANCHMSA-N 1 2 393.488 0.165 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)CC[N@H+]1CCO ZINC000427403235 1073068585 /nfs/dbraw/zinc/06/85/85/1073068585.db2.gz FVMDSFRAWRIROM-CYBMUJFWSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)CC[N@@H+]1CCO ZINC000427403235 1073068579 /nfs/dbraw/zinc/06/85/79/1073068579.db2.gz FVMDSFRAWRIROM-CYBMUJFWSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)CC[N@H+]1CCO ZINC000427403236 1073068795 /nfs/dbraw/zinc/06/87/95/1073068795.db2.gz FVMDSFRAWRIROM-ZDUSSCGKSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)CC[N@@H+]1CCO ZINC000427403236 1073068784 /nfs/dbraw/zinc/06/87/84/1073068784.db2.gz FVMDSFRAWRIROM-ZDUSSCGKSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC[N@H+]1CCO ZINC000427403327 1073068630 /nfs/dbraw/zinc/06/86/30/1073068630.db2.gz HPHODLAHDJVPTP-GFCCVEGCSA-N 1 2 375.429 -0.660 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC[N@@H+]1CCO ZINC000427403327 1073068626 /nfs/dbraw/zinc/06/86/26/1073068626.db2.gz HPHODLAHDJVPTP-GFCCVEGCSA-N 1 2 375.429 -0.660 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC[N@H+]1CCO ZINC000427403328 1073067674 /nfs/dbraw/zinc/06/76/74/1073067674.db2.gz HPHODLAHDJVPTP-LBPRGKRZSA-N 1 2 375.429 -0.660 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC[N@@H+]1CCO ZINC000427403328 1073067666 /nfs/dbraw/zinc/06/76/66/1073067666.db2.gz HPHODLAHDJVPTP-LBPRGKRZSA-N 1 2 375.429 -0.660 20 0 GBADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427403785 1073068566 /nfs/dbraw/zinc/06/85/66/1073068566.db2.gz KFOAUEHPWTZAHN-AWEZNQCLSA-N 1 2 392.456 -0.335 20 0 GBADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427403785 1073068558 /nfs/dbraw/zinc/06/85/58/1073068558.db2.gz KFOAUEHPWTZAHN-AWEZNQCLSA-N 1 2 392.456 -0.335 20 0 GBADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427403786 1073068502 /nfs/dbraw/zinc/06/85/02/1073068502.db2.gz KFOAUEHPWTZAHN-CQSZACIVSA-N 1 2 392.456 -0.335 20 0 GBADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427403786 1073068492 /nfs/dbraw/zinc/06/84/92/1073068492.db2.gz KFOAUEHPWTZAHN-CQSZACIVSA-N 1 2 392.456 -0.335 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC[N@H+]1CCO ZINC000427404057 1073069828 /nfs/dbraw/zinc/06/98/28/1073069828.db2.gz JJHIIUMYZRKAOV-CYBMUJFWSA-N 1 2 375.429 -0.320 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC[N@@H+]1CCO ZINC000427404057 1073069815 /nfs/dbraw/zinc/06/98/15/1073069815.db2.gz JJHIIUMYZRKAOV-CYBMUJFWSA-N 1 2 375.429 -0.320 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC[N@H+]1CCO ZINC000427404058 1073069150 /nfs/dbraw/zinc/06/91/50/1073069150.db2.gz JJHIIUMYZRKAOV-ZDUSSCGKSA-N 1 2 375.429 -0.320 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC[N@@H+]1CCO ZINC000427404058 1073069143 /nfs/dbraw/zinc/06/91/43/1073069143.db2.gz JJHIIUMYZRKAOV-ZDUSSCGKSA-N 1 2 375.429 -0.320 20 0 GBADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427404437 1073069077 /nfs/dbraw/zinc/06/90/77/1073069077.db2.gz KKAPYCZXPKYCQF-CYBMUJFWSA-N 1 2 383.470 -0.056 20 0 GBADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427404437 1073069071 /nfs/dbraw/zinc/06/90/71/1073069071.db2.gz KKAPYCZXPKYCQF-CYBMUJFWSA-N 1 2 383.470 -0.056 20 0 GBADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427404442 1073069347 /nfs/dbraw/zinc/06/93/47/1073069347.db2.gz KKAPYCZXPKYCQF-ZDUSSCGKSA-N 1 2 383.470 -0.056 20 0 GBADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427404442 1073069333 /nfs/dbraw/zinc/06/93/33/1073069333.db2.gz KKAPYCZXPKYCQF-ZDUSSCGKSA-N 1 2 383.470 -0.056 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)CC[N@H+]1CCO ZINC000427405127 1073069966 /nfs/dbraw/zinc/06/99/66/1073069966.db2.gz LYFXJCANFYBQTN-AWEZNQCLSA-N 1 2 377.445 -0.618 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)CC[N@@H+]1CCO ZINC000427405127 1073069960 /nfs/dbraw/zinc/06/99/60/1073069960.db2.gz LYFXJCANFYBQTN-AWEZNQCLSA-N 1 2 377.445 -0.618 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)CC[N@H+]1CCO ZINC000427405131 1073069619 /nfs/dbraw/zinc/06/96/19/1073069619.db2.gz LYFXJCANFYBQTN-CQSZACIVSA-N 1 2 377.445 -0.618 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)CC[N@@H+]1CCO ZINC000427405131 1073069612 /nfs/dbraw/zinc/06/96/12/1073069612.db2.gz LYFXJCANFYBQTN-CQSZACIVSA-N 1 2 377.445 -0.618 20 0 GBADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000427405974 1073069745 /nfs/dbraw/zinc/06/97/45/1073069745.db2.gz NVSBNIDUAGLRNK-CYBMUJFWSA-N 1 2 398.485 -0.633 20 0 GBADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000427405974 1073069734 /nfs/dbraw/zinc/06/97/34/1073069734.db2.gz NVSBNIDUAGLRNK-CYBMUJFWSA-N 1 2 398.485 -0.633 20 0 GBADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000427405976 1073069939 /nfs/dbraw/zinc/06/99/39/1073069939.db2.gz NVSBNIDUAGLRNK-ZDUSSCGKSA-N 1 2 398.485 -0.633 20 0 GBADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000427405976 1073069933 /nfs/dbraw/zinc/06/99/33/1073069933.db2.gz NVSBNIDUAGLRNK-ZDUSSCGKSA-N 1 2 398.485 -0.633 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+]1CCO ZINC000427406390 1073069573 /nfs/dbraw/zinc/06/95/73/1073069573.db2.gz PSKGHXPQZWTABW-CYBMUJFWSA-N 1 2 398.485 -0.600 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+]1CCO ZINC000427406390 1073069568 /nfs/dbraw/zinc/06/95/68/1073069568.db2.gz PSKGHXPQZWTABW-CYBMUJFWSA-N 1 2 398.485 -0.600 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+]1CCO ZINC000427406391 1073069545 /nfs/dbraw/zinc/06/95/45/1073069545.db2.gz PSKGHXPQZWTABW-ZDUSSCGKSA-N 1 2 398.485 -0.600 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+]1CCO ZINC000427406391 1073069542 /nfs/dbraw/zinc/06/95/42/1073069542.db2.gz PSKGHXPQZWTABW-ZDUSSCGKSA-N 1 2 398.485 -0.600 20 0 GBADLO COC(=O)COc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000427406607 1073069121 /nfs/dbraw/zinc/06/91/21/1073069121.db2.gz PVVNMHQFQHDPKX-CYBMUJFWSA-N 1 2 379.413 -0.298 20 0 GBADLO COC(=O)COc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000427406607 1073069116 /nfs/dbraw/zinc/06/91/16/1073069116.db2.gz PVVNMHQFQHDPKX-CYBMUJFWSA-N 1 2 379.413 -0.298 20 0 GBADLO COC(=O)COc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000427406610 1073069104 /nfs/dbraw/zinc/06/91/04/1073069104.db2.gz PVVNMHQFQHDPKX-ZDUSSCGKSA-N 1 2 379.413 -0.298 20 0 GBADLO COC(=O)COc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000427406610 1073069099 /nfs/dbraw/zinc/06/90/99/1073069099.db2.gz PVVNMHQFQHDPKX-ZDUSSCGKSA-N 1 2 379.413 -0.298 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)CC[N@H+]1CCO ZINC000427407355 1073069781 /nfs/dbraw/zinc/06/97/81/1073069781.db2.gz XASSHKILRDDKIU-CYBMUJFWSA-N 1 2 398.485 -0.454 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)CC[N@@H+]1CCO ZINC000427407355 1073069772 /nfs/dbraw/zinc/06/97/72/1073069772.db2.gz XASSHKILRDDKIU-CYBMUJFWSA-N 1 2 398.485 -0.454 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)CC[N@H+]1CCO ZINC000427407356 1073069529 /nfs/dbraw/zinc/06/95/29/1073069529.db2.gz XASSHKILRDDKIU-ZDUSSCGKSA-N 1 2 398.485 -0.454 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)CC[N@@H+]1CCO ZINC000427407356 1073069523 /nfs/dbraw/zinc/06/95/23/1073069523.db2.gz XASSHKILRDDKIU-ZDUSSCGKSA-N 1 2 398.485 -0.454 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC[N@H+]1CCO ZINC000427408114 1073069451 /nfs/dbraw/zinc/06/94/51/1073069451.db2.gz ZEWSKYSYFIEVAV-AWEZNQCLSA-N 1 2 377.445 -0.618 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC[N@@H+]1CCO ZINC000427408114 1073069439 /nfs/dbraw/zinc/06/94/39/1073069439.db2.gz ZEWSKYSYFIEVAV-AWEZNQCLSA-N 1 2 377.445 -0.618 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC[N@H+]1CCO ZINC000427408115 1073069692 /nfs/dbraw/zinc/06/96/92/1073069692.db2.gz ZEWSKYSYFIEVAV-CQSZACIVSA-N 1 2 377.445 -0.618 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC[N@@H+]1CCO ZINC000427408115 1073069681 /nfs/dbraw/zinc/06/96/81/1073069681.db2.gz ZEWSKYSYFIEVAV-CQSZACIVSA-N 1 2 377.445 -0.618 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC[N@H+]1CCO ZINC000427408370 1073069859 /nfs/dbraw/zinc/06/98/59/1073069859.db2.gz OLIRJKAVWQKFQU-AWEZNQCLSA-N 1 2 392.456 -0.383 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC[N@@H+]1CCO ZINC000427408370 1073069847 /nfs/dbraw/zinc/06/98/47/1073069847.db2.gz OLIRJKAVWQKFQU-AWEZNQCLSA-N 1 2 392.456 -0.383 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC[N@H+]1CCO ZINC000427408371 1073069651 /nfs/dbraw/zinc/06/96/51/1073069651.db2.gz OLIRJKAVWQKFQU-CQSZACIVSA-N 1 2 392.456 -0.383 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC[N@@H+]1CCO ZINC000427408371 1073069641 /nfs/dbraw/zinc/06/96/41/1073069641.db2.gz OLIRJKAVWQKFQU-CQSZACIVSA-N 1 2 392.456 -0.383 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000427409197 1073071042 /nfs/dbraw/zinc/07/10/42/1073071042.db2.gz YOUUNHYVBWTCJR-GFCCVEGCSA-N 1 2 384.458 -0.942 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000427409197 1073071036 /nfs/dbraw/zinc/07/10/36/1073071036.db2.gz YOUUNHYVBWTCJR-GFCCVEGCSA-N 1 2 384.458 -0.942 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000427409198 1073070927 /nfs/dbraw/zinc/07/09/27/1073070927.db2.gz YOUUNHYVBWTCJR-LBPRGKRZSA-N 1 2 384.458 -0.942 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000427409198 1073070916 /nfs/dbraw/zinc/07/09/16/1073070916.db2.gz YOUUNHYVBWTCJR-LBPRGKRZSA-N 1 2 384.458 -0.942 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC[N@H+]1CCO ZINC000427409838 1073069882 /nfs/dbraw/zinc/06/98/82/1073069882.db2.gz XBMGXGKUCDUKMD-AWEZNQCLSA-N 1 2 392.456 -0.383 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC[N@@H+]1CCO ZINC000427409838 1073069874 /nfs/dbraw/zinc/06/98/74/1073069874.db2.gz XBMGXGKUCDUKMD-AWEZNQCLSA-N 1 2 392.456 -0.383 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC[N@H+]1CCO ZINC000427409839 1073070191 /nfs/dbraw/zinc/07/01/91/1073070191.db2.gz XBMGXGKUCDUKMD-CQSZACIVSA-N 1 2 392.456 -0.383 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC[N@@H+]1CCO ZINC000427409839 1073070184 /nfs/dbraw/zinc/07/01/84/1073070184.db2.gz XBMGXGKUCDUKMD-CQSZACIVSA-N 1 2 392.456 -0.383 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC[N@H+]1CCO ZINC000427411361 1073070555 /nfs/dbraw/zinc/07/05/55/1073070555.db2.gz BDIDDIVDEIYTFN-NEPJUHHUSA-N 1 2 376.413 -0.131 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC[N@@H+]1CCO ZINC000427411361 1073070545 /nfs/dbraw/zinc/07/05/45/1073070545.db2.gz BDIDDIVDEIYTFN-NEPJUHHUSA-N 1 2 376.413 -0.131 20 0 GBADLO C[C@H]1Oc2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2NC1=O ZINC000427411363 1073070169 /nfs/dbraw/zinc/07/01/69/1073070169.db2.gz BDIDDIVDEIYTFN-NWDGAFQWSA-N 1 2 376.413 -0.131 20 0 GBADLO C[C@H]1Oc2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2NC1=O ZINC000427411363 1073070158 /nfs/dbraw/zinc/07/01/58/1073070158.db2.gz BDIDDIVDEIYTFN-NWDGAFQWSA-N 1 2 376.413 -0.131 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC[N@H+]1CCO ZINC000427411365 1073071065 /nfs/dbraw/zinc/07/10/65/1073071065.db2.gz BDIDDIVDEIYTFN-RYUDHWBXSA-N 1 2 376.413 -0.131 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC[N@@H+]1CCO ZINC000427411365 1073071063 /nfs/dbraw/zinc/07/10/63/1073071063.db2.gz BDIDDIVDEIYTFN-RYUDHWBXSA-N 1 2 376.413 -0.131 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC[N@H+]1CCO ZINC000427411367 1073070683 /nfs/dbraw/zinc/07/06/83/1073070683.db2.gz BDIDDIVDEIYTFN-VXGBXAGGSA-N 1 2 376.413 -0.131 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC[N@@H+]1CCO ZINC000427411367 1073070671 /nfs/dbraw/zinc/07/06/71/1073070671.db2.gz BDIDDIVDEIYTFN-VXGBXAGGSA-N 1 2 376.413 -0.131 20 0 GBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427411710 1073070369 /nfs/dbraw/zinc/07/03/69/1073070369.db2.gz CLLMKDKPJDBLPA-CYBMUJFWSA-N 1 2 398.485 -0.088 20 0 GBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427411710 1073070360 /nfs/dbraw/zinc/07/03/60/1073070360.db2.gz CLLMKDKPJDBLPA-CYBMUJFWSA-N 1 2 398.485 -0.088 20 0 GBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427411711 1073070500 /nfs/dbraw/zinc/07/05/00/1073070500.db2.gz CLLMKDKPJDBLPA-ZDUSSCGKSA-N 1 2 398.485 -0.088 20 0 GBADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427411711 1073070489 /nfs/dbraw/zinc/07/04/89/1073070489.db2.gz CLLMKDKPJDBLPA-ZDUSSCGKSA-N 1 2 398.485 -0.088 20 0 GBADLO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427413079 1073070801 /nfs/dbraw/zinc/07/08/01/1073070801.db2.gz LEYBIHWNHVCWSO-GFCCVEGCSA-N 1 2 379.413 -0.055 20 0 GBADLO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427413079 1073070790 /nfs/dbraw/zinc/07/07/90/1073070790.db2.gz LEYBIHWNHVCWSO-GFCCVEGCSA-N 1 2 379.413 -0.055 20 0 GBADLO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427413080 1073070600 /nfs/dbraw/zinc/07/06/00/1073070600.db2.gz LEYBIHWNHVCWSO-LBPRGKRZSA-N 1 2 379.413 -0.055 20 0 GBADLO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427413080 1073070591 /nfs/dbraw/zinc/07/05/91/1073070591.db2.gz LEYBIHWNHVCWSO-LBPRGKRZSA-N 1 2 379.413 -0.055 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1-n1cnnn1 ZINC000427413224 1073070894 /nfs/dbraw/zinc/07/08/94/1073070894.db2.gz LEFNLLXNHLXACZ-GFCCVEGCSA-N 1 2 389.416 -0.866 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1-n1cnnn1 ZINC000427413224 1073070884 /nfs/dbraw/zinc/07/08/84/1073070884.db2.gz LEFNLLXNHLXACZ-GFCCVEGCSA-N 1 2 389.416 -0.866 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1-n1cnnn1 ZINC000427413225 1073070410 /nfs/dbraw/zinc/07/04/10/1073070410.db2.gz LEFNLLXNHLXACZ-LBPRGKRZSA-N 1 2 389.416 -0.866 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1-n1cnnn1 ZINC000427413225 1073070399 /nfs/dbraw/zinc/07/03/99/1073070399.db2.gz LEFNLLXNHLXACZ-LBPRGKRZSA-N 1 2 389.416 -0.866 20 0 GBADLO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427415009 1073070763 /nfs/dbraw/zinc/07/07/63/1073070763.db2.gz OFXPRWCPGRARKR-CYBMUJFWSA-N 1 2 392.456 -0.140 20 0 GBADLO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427415009 1073070752 /nfs/dbraw/zinc/07/07/52/1073070752.db2.gz OFXPRWCPGRARKR-CYBMUJFWSA-N 1 2 392.456 -0.140 20 0 GBADLO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427415013 1073070850 /nfs/dbraw/zinc/07/08/50/1073070850.db2.gz OFXPRWCPGRARKR-ZDUSSCGKSA-N 1 2 392.456 -0.140 20 0 GBADLO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427415013 1073070837 /nfs/dbraw/zinc/07/08/37/1073070837.db2.gz OFXPRWCPGRARKR-ZDUSSCGKSA-N 1 2 392.456 -0.140 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427415326 1072433548 /nfs/dbraw/zinc/43/35/48/1072433548.db2.gz PQYRBLSQJIGNPF-CYBMUJFWSA-N 1 2 378.429 -0.725 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427415326 1072433543 /nfs/dbraw/zinc/43/35/43/1072433543.db2.gz PQYRBLSQJIGNPF-CYBMUJFWSA-N 1 2 378.429 -0.725 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427415341 1072433223 /nfs/dbraw/zinc/43/32/23/1072433223.db2.gz PQYRBLSQJIGNPF-ZDUSSCGKSA-N 1 2 378.429 -0.725 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427415341 1072433221 /nfs/dbraw/zinc/43/32/21/1072433221.db2.gz PQYRBLSQJIGNPF-ZDUSSCGKSA-N 1 2 378.429 -0.725 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1S(C)(=O)=O ZINC000427415411 1073070994 /nfs/dbraw/zinc/07/09/94/1073070994.db2.gz SJXNWYGMKIFUSH-CYBMUJFWSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1S(C)(=O)=O ZINC000427415411 1073070987 /nfs/dbraw/zinc/07/09/87/1073070987.db2.gz SJXNWYGMKIFUSH-CYBMUJFWSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1S(C)(=O)=O ZINC000427415416 1073070646 /nfs/dbraw/zinc/07/06/46/1073070646.db2.gz SJXNWYGMKIFUSH-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1S(C)(=O)=O ZINC000427415416 1073070635 /nfs/dbraw/zinc/07/06/35/1073070635.db2.gz SJXNWYGMKIFUSH-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1S(C)(=O)=O ZINC000427416123 1073070330 /nfs/dbraw/zinc/07/03/30/1073070330.db2.gz VMDCFGSZSFTZGJ-CYBMUJFWSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1S(C)(=O)=O ZINC000427416123 1073070322 /nfs/dbraw/zinc/07/03/22/1073070322.db2.gz VMDCFGSZSFTZGJ-CYBMUJFWSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1S(C)(=O)=O ZINC000427416124 1073070457 /nfs/dbraw/zinc/07/04/57/1073070457.db2.gz VMDCFGSZSFTZGJ-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1S(C)(=O)=O ZINC000427416124 1073070445 /nfs/dbraw/zinc/07/04/45/1073070445.db2.gz VMDCFGSZSFTZGJ-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000427416257 1073070259 /nfs/dbraw/zinc/07/02/59/1073070259.db2.gz UPIKRYVVKXUHTC-AWEZNQCLSA-N 1 2 392.456 -0.335 20 0 GBADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000427416257 1073070256 /nfs/dbraw/zinc/07/02/56/1073070256.db2.gz UPIKRYVVKXUHTC-AWEZNQCLSA-N 1 2 392.456 -0.335 20 0 GBADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000427416258 1073070959 /nfs/dbraw/zinc/07/09/59/1073070959.db2.gz UPIKRYVVKXUHTC-CQSZACIVSA-N 1 2 392.456 -0.335 20 0 GBADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000427416258 1073070952 /nfs/dbraw/zinc/07/09/52/1073070952.db2.gz UPIKRYVVKXUHTC-CQSZACIVSA-N 1 2 392.456 -0.335 20 0 GBADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000427416602 1073070296 /nfs/dbraw/zinc/07/02/96/1073070296.db2.gz UKWFVKXAWJDUCC-CYBMUJFWSA-N 1 2 387.444 -0.177 20 0 GBADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000427416602 1073070293 /nfs/dbraw/zinc/07/02/93/1073070293.db2.gz UKWFVKXAWJDUCC-CYBMUJFWSA-N 1 2 387.444 -0.177 20 0 GBADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000427416603 1073070226 /nfs/dbraw/zinc/07/02/26/1073070226.db2.gz UKWFVKXAWJDUCC-ZDUSSCGKSA-N 1 2 387.444 -0.177 20 0 GBADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000427416603 1073070220 /nfs/dbraw/zinc/07/02/20/1073070220.db2.gz UKWFVKXAWJDUCC-ZDUSSCGKSA-N 1 2 387.444 -0.177 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC[N@H+]1CCO ZINC000427418694 1073069719 /nfs/dbraw/zinc/06/97/19/1073069719.db2.gz CLMJZMLJDVDQNY-HNNXBMFYSA-N 1 2 386.456 -0.016 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC[N@@H+]1CCO ZINC000427418694 1073069712 /nfs/dbraw/zinc/06/97/12/1073069712.db2.gz CLMJZMLJDVDQNY-HNNXBMFYSA-N 1 2 386.456 -0.016 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC[N@H+]1CCO ZINC000427418695 1073069315 /nfs/dbraw/zinc/06/93/15/1073069315.db2.gz CLMJZMLJDVDQNY-OAHLLOKOSA-N 1 2 386.456 -0.016 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC[N@@H+]1CCO ZINC000427418695 1073069304 /nfs/dbraw/zinc/06/93/04/1073069304.db2.gz CLMJZMLJDVDQNY-OAHLLOKOSA-N 1 2 386.456 -0.016 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000427419557 1073069562 /nfs/dbraw/zinc/06/95/62/1073069562.db2.gz FTPSEJJNKJFCQD-BBRMVZONSA-N 1 2 390.440 -0.948 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000427419557 1073069557 /nfs/dbraw/zinc/06/95/57/1073069557.db2.gz FTPSEJJNKJFCQD-BBRMVZONSA-N 1 2 390.440 -0.948 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000427419558 1073069258 /nfs/dbraw/zinc/06/92/58/1073069258.db2.gz FTPSEJJNKJFCQD-CJNGLKHVSA-N 1 2 390.440 -0.948 20 0 GBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000427419558 1073069247 /nfs/dbraw/zinc/06/92/47/1073069247.db2.gz FTPSEJJNKJFCQD-CJNGLKHVSA-N 1 2 390.440 -0.948 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000427419559 1073069906 /nfs/dbraw/zinc/06/99/06/1073069906.db2.gz FTPSEJJNKJFCQD-CZUORRHYSA-N 1 2 390.440 -0.948 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000427419559 1073069902 /nfs/dbraw/zinc/06/99/02/1073069902.db2.gz FTPSEJJNKJFCQD-CZUORRHYSA-N 1 2 390.440 -0.948 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000427419560 1073069507 /nfs/dbraw/zinc/06/95/07/1073069507.db2.gz FTPSEJJNKJFCQD-XJKSGUPXSA-N 1 2 390.440 -0.948 20 0 GBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000427419560 1073069503 /nfs/dbraw/zinc/06/95/03/1073069503.db2.gz FTPSEJJNKJFCQD-XJKSGUPXSA-N 1 2 390.440 -0.948 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)CC[N@H+]1CCO ZINC000427419653 1073069218 /nfs/dbraw/zinc/06/92/18/1073069218.db2.gz GSDMNQKMKFLBGI-GFCCVEGCSA-N 1 2 380.420 -0.009 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)CC[N@@H+]1CCO ZINC000427419653 1073069208 /nfs/dbraw/zinc/06/92/08/1073069208.db2.gz GSDMNQKMKFLBGI-GFCCVEGCSA-N 1 2 380.420 -0.009 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)CC[N@H+]1CCO ZINC000427419657 1073069383 /nfs/dbraw/zinc/06/93/83/1073069383.db2.gz GSDMNQKMKFLBGI-LBPRGKRZSA-N 1 2 380.420 -0.009 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)CC[N@@H+]1CCO ZINC000427419657 1073069373 /nfs/dbraw/zinc/06/93/73/1073069373.db2.gz GSDMNQKMKFLBGI-LBPRGKRZSA-N 1 2 380.420 -0.009 20 0 GBADLO CCc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1S(N)(=O)=O ZINC000427419906 1073071308 /nfs/dbraw/zinc/07/13/08/1073071308.db2.gz HMUCJCYYUWOLNW-GFCCVEGCSA-N 1 2 398.485 -0.640 20 0 GBADLO CCc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1S(N)(=O)=O ZINC000427419906 1073071297 /nfs/dbraw/zinc/07/12/97/1073071297.db2.gz HMUCJCYYUWOLNW-GFCCVEGCSA-N 1 2 398.485 -0.640 20 0 GBADLO CCc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000427419908 1073071993 /nfs/dbraw/zinc/07/19/93/1073071993.db2.gz HMUCJCYYUWOLNW-LBPRGKRZSA-N 1 2 398.485 -0.640 20 0 GBADLO CCc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000427419908 1073071986 /nfs/dbraw/zinc/07/19/86/1073071986.db2.gz HMUCJCYYUWOLNW-LBPRGKRZSA-N 1 2 398.485 -0.640 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC[N@H+]1CCO ZINC000427420511 1073072053 /nfs/dbraw/zinc/07/20/53/1073072053.db2.gz KXNQSJOEBMOWNS-GFCCVEGCSA-N 1 2 376.413 -0.495 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC[N@@H+]1CCO ZINC000427420511 1073072041 /nfs/dbraw/zinc/07/20/41/1073072041.db2.gz KXNQSJOEBMOWNS-GFCCVEGCSA-N 1 2 376.413 -0.495 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC[N@H+]1CCO ZINC000427420512 1073071859 /nfs/dbraw/zinc/07/18/59/1073071859.db2.gz KXNQSJOEBMOWNS-LBPRGKRZSA-N 1 2 376.413 -0.495 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC[N@@H+]1CCO ZINC000427420512 1073071850 /nfs/dbraw/zinc/07/18/50/1073071850.db2.gz KXNQSJOEBMOWNS-LBPRGKRZSA-N 1 2 376.413 -0.495 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC[N@H+]1CCO ZINC000427427652 1073071907 /nfs/dbraw/zinc/07/19/07/1073071907.db2.gz JVYFMAYKBGSQET-INIZCTEOSA-N 1 2 390.484 -0.018 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC[N@@H+]1CCO ZINC000427427652 1073071900 /nfs/dbraw/zinc/07/19/00/1073071900.db2.gz JVYFMAYKBGSQET-INIZCTEOSA-N 1 2 390.484 -0.018 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC[N@H+]1CCO ZINC000427427712 1073071626 /nfs/dbraw/zinc/07/16/26/1073071626.db2.gz JVYFMAYKBGSQET-MRXNPFEDSA-N 1 2 390.484 -0.018 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC[N@@H+]1CCO ZINC000427427712 1073071613 /nfs/dbraw/zinc/07/16/13/1073071613.db2.gz JVYFMAYKBGSQET-MRXNPFEDSA-N 1 2 390.484 -0.018 20 0 GBADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427428237 1072435187 /nfs/dbraw/zinc/43/51/87/1072435187.db2.gz MVEMMSQISARXER-AWEZNQCLSA-N 1 2 391.472 -0.310 20 0 GBADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427428237 1072435183 /nfs/dbraw/zinc/43/51/83/1072435183.db2.gz MVEMMSQISARXER-AWEZNQCLSA-N 1 2 391.472 -0.310 20 0 GBADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427428238 1073071444 /nfs/dbraw/zinc/07/14/44/1073071444.db2.gz MVEMMSQISARXER-CQSZACIVSA-N 1 2 391.472 -0.310 20 0 GBADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427428238 1073071434 /nfs/dbraw/zinc/07/14/34/1073071434.db2.gz MVEMMSQISARXER-CQSZACIVSA-N 1 2 391.472 -0.310 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC[N@H+]1CCO ZINC000427429415 1073071469 /nfs/dbraw/zinc/07/14/69/1073071469.db2.gz SQWDVVRQGGOZMG-AWEZNQCLSA-N 1 2 376.457 -0.219 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC[N@@H+]1CCO ZINC000427429415 1073071460 /nfs/dbraw/zinc/07/14/60/1073071460.db2.gz SQWDVVRQGGOZMG-AWEZNQCLSA-N 1 2 376.457 -0.219 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC[N@H+]1CCO ZINC000427429416 1072435011 /nfs/dbraw/zinc/43/50/11/1072435011.db2.gz SQWDVVRQGGOZMG-CQSZACIVSA-N 1 2 376.457 -0.219 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC[N@@H+]1CCO ZINC000427429416 1072435003 /nfs/dbraw/zinc/43/50/03/1072435003.db2.gz SQWDVVRQGGOZMG-CQSZACIVSA-N 1 2 376.457 -0.219 20 0 GBADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427433114 1072435993 /nfs/dbraw/zinc/43/59/93/1072435993.db2.gz BPZQHOYWOFPWOT-CYBMUJFWSA-N 1 2 392.456 -0.140 20 0 GBADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427433114 1072435989 /nfs/dbraw/zinc/43/59/89/1072435989.db2.gz BPZQHOYWOFPWOT-CYBMUJFWSA-N 1 2 392.456 -0.140 20 0 GBADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427433115 1073072427 /nfs/dbraw/zinc/07/24/27/1073072427.db2.gz BPZQHOYWOFPWOT-ZDUSSCGKSA-N 1 2 392.456 -0.140 20 0 GBADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427433115 1073072412 /nfs/dbraw/zinc/07/24/12/1073072412.db2.gz BPZQHOYWOFPWOT-ZDUSSCGKSA-N 1 2 392.456 -0.140 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC[N@H+]1CCO ZINC000427433487 1073071938 /nfs/dbraw/zinc/07/19/38/1073071938.db2.gz DQDXCXNBKOPKPZ-CYBMUJFWSA-N 1 2 398.485 -0.801 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000427433487 1073071933 /nfs/dbraw/zinc/07/19/33/1073071933.db2.gz DQDXCXNBKOPKPZ-CYBMUJFWSA-N 1 2 398.485 -0.801 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC[N@H+]1CCO ZINC000427433488 1073073342 /nfs/dbraw/zinc/07/33/42/1073073342.db2.gz DQDXCXNBKOPKPZ-ZDUSSCGKSA-N 1 2 398.485 -0.801 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000427433488 1073073328 /nfs/dbraw/zinc/07/33/28/1073073328.db2.gz DQDXCXNBKOPKPZ-ZDUSSCGKSA-N 1 2 398.485 -0.801 20 0 GBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1C ZINC000427434346 1073072354 /nfs/dbraw/zinc/07/23/54/1073072354.db2.gz HGFIIHDURNVXGU-GFCCVEGCSA-N 1 2 398.485 -0.586 20 0 GBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1C ZINC000427434346 1073072345 /nfs/dbraw/zinc/07/23/45/1073072345.db2.gz HGFIIHDURNVXGU-GFCCVEGCSA-N 1 2 398.485 -0.586 20 0 GBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1C ZINC000427434349 1073073487 /nfs/dbraw/zinc/07/34/87/1073073487.db2.gz HGFIIHDURNVXGU-LBPRGKRZSA-N 1 2 398.485 -0.586 20 0 GBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1C ZINC000427434349 1073073478 /nfs/dbraw/zinc/07/34/78/1073073478.db2.gz HGFIIHDURNVXGU-LBPRGKRZSA-N 1 2 398.485 -0.586 20 0 GBADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427435510 1073073093 /nfs/dbraw/zinc/07/30/93/1073073093.db2.gz OIGXBIWDECLVPH-AWEZNQCLSA-N 1 2 392.456 -0.335 20 0 GBADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427435510 1073073086 /nfs/dbraw/zinc/07/30/86/1073073086.db2.gz OIGXBIWDECLVPH-AWEZNQCLSA-N 1 2 392.456 -0.335 20 0 GBADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427435512 1073073180 /nfs/dbraw/zinc/07/31/80/1073073180.db2.gz OIGXBIWDECLVPH-CQSZACIVSA-N 1 2 392.456 -0.335 20 0 GBADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427435512 1073073166 /nfs/dbraw/zinc/07/31/66/1073073166.db2.gz OIGXBIWDECLVPH-CQSZACIVSA-N 1 2 392.456 -0.335 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC[N@H+]1CCO ZINC000427436086 1073072946 /nfs/dbraw/zinc/07/29/46/1073072946.db2.gz PNIVGFHCTWHTRR-CYBMUJFWSA-N 1 2 388.428 -0.966 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC[N@@H+]1CCO ZINC000427436086 1073072932 /nfs/dbraw/zinc/07/29/32/1073072932.db2.gz PNIVGFHCTWHTRR-CYBMUJFWSA-N 1 2 388.428 -0.966 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC[N@H+]1CCO ZINC000427436089 1073072603 /nfs/dbraw/zinc/07/26/03/1073072603.db2.gz PNIVGFHCTWHTRR-ZDUSSCGKSA-N 1 2 388.428 -0.966 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC[N@@H+]1CCO ZINC000427436089 1073072589 /nfs/dbraw/zinc/07/25/89/1073072589.db2.gz PNIVGFHCTWHTRR-ZDUSSCGKSA-N 1 2 388.428 -0.966 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1OCC(N)=O ZINC000427436171 1073073143 /nfs/dbraw/zinc/07/31/43/1073073143.db2.gz QAPANTQUJDICFL-GFCCVEGCSA-N 1 2 394.428 -0.977 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1OCC(N)=O ZINC000427436171 1073073132 /nfs/dbraw/zinc/07/31/32/1073073132.db2.gz QAPANTQUJDICFL-GFCCVEGCSA-N 1 2 394.428 -0.977 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1OCC(N)=O ZINC000427436174 1073073268 /nfs/dbraw/zinc/07/32/68/1073073268.db2.gz QAPANTQUJDICFL-LBPRGKRZSA-N 1 2 394.428 -0.977 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1OCC(N)=O ZINC000427436174 1073073256 /nfs/dbraw/zinc/07/32/56/1073073256.db2.gz QAPANTQUJDICFL-LBPRGKRZSA-N 1 2 394.428 -0.977 20 0 GBADLO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427436690 1073072504 /nfs/dbraw/zinc/07/25/04/1073072504.db2.gz SRQWGXFFKHQBLK-CYBMUJFWSA-N 1 2 379.413 -0.298 20 0 GBADLO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427436690 1073072493 /nfs/dbraw/zinc/07/24/93/1073072493.db2.gz SRQWGXFFKHQBLK-CYBMUJFWSA-N 1 2 379.413 -0.298 20 0 GBADLO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427436691 1073073379 /nfs/dbraw/zinc/07/33/79/1073073379.db2.gz SRQWGXFFKHQBLK-ZDUSSCGKSA-N 1 2 379.413 -0.298 20 0 GBADLO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427436691 1073073366 /nfs/dbraw/zinc/07/33/66/1073073366.db2.gz SRQWGXFFKHQBLK-ZDUSSCGKSA-N 1 2 379.413 -0.298 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000427437021 1073073304 /nfs/dbraw/zinc/07/33/04/1073073304.db2.gz WHXQKXDFTLADKX-CYBMUJFWSA-N 1 2 398.485 -0.600 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000427437021 1073073293 /nfs/dbraw/zinc/07/32/93/1073073293.db2.gz WHXQKXDFTLADKX-CYBMUJFWSA-N 1 2 398.485 -0.600 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000427437023 1073073219 /nfs/dbraw/zinc/07/32/19/1073073219.db2.gz WHXQKXDFTLADKX-ZDUSSCGKSA-N 1 2 398.485 -0.600 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000427437023 1073073205 /nfs/dbraw/zinc/07/32/05/1073073205.db2.gz WHXQKXDFTLADKX-ZDUSSCGKSA-N 1 2 398.485 -0.600 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC[N@H+]1CCO ZINC000427437895 1073072856 /nfs/dbraw/zinc/07/28/56/1073072856.db2.gz AFMPRWHHTYDBNT-GFCCVEGCSA-N 1 2 376.392 -0.130 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC[N@@H+]1CCO ZINC000427437895 1073072845 /nfs/dbraw/zinc/07/28/45/1073072845.db2.gz AFMPRWHHTYDBNT-GFCCVEGCSA-N 1 2 376.392 -0.130 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC[N@H+]1CCO ZINC000427437896 1073072789 /nfs/dbraw/zinc/07/27/89/1073072789.db2.gz AFMPRWHHTYDBNT-LBPRGKRZSA-N 1 2 376.392 -0.130 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC[N@@H+]1CCO ZINC000427437896 1073072783 /nfs/dbraw/zinc/07/27/83/1073072783.db2.gz AFMPRWHHTYDBNT-LBPRGKRZSA-N 1 2 376.392 -0.130 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC[N@H+]1CCO ZINC000427438438 1073072905 /nfs/dbraw/zinc/07/29/05/1073072905.db2.gz GFZJLASVPZQNEA-GFCCVEGCSA-N 1 2 381.454 -0.520 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC[N@@H+]1CCO ZINC000427438438 1073072896 /nfs/dbraw/zinc/07/28/96/1073072896.db2.gz GFZJLASVPZQNEA-GFCCVEGCSA-N 1 2 381.454 -0.520 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC[N@H+]1CCO ZINC000427438439 1073072826 /nfs/dbraw/zinc/07/28/26/1073072826.db2.gz GFZJLASVPZQNEA-LBPRGKRZSA-N 1 2 381.454 -0.520 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC[N@@H+]1CCO ZINC000427438439 1073072816 /nfs/dbraw/zinc/07/28/16/1073072816.db2.gz GFZJLASVPZQNEA-LBPRGKRZSA-N 1 2 381.454 -0.520 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC[N@H+]1CCO ZINC000427439505 1072436179 /nfs/dbraw/zinc/43/61/79/1072436179.db2.gz REQIBLSBOAHOAO-CYBMUJFWSA-N 1 2 378.429 -0.596 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC[N@@H+]1CCO ZINC000427439505 1072436175 /nfs/dbraw/zinc/43/61/75/1072436175.db2.gz REQIBLSBOAHOAO-CYBMUJFWSA-N 1 2 378.429 -0.596 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC[N@H+]1CCO ZINC000427439506 1073073438 /nfs/dbraw/zinc/07/34/38/1073073438.db2.gz REQIBLSBOAHOAO-ZDUSSCGKSA-N 1 2 378.429 -0.596 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC[N@@H+]1CCO ZINC000427439506 1073073426 /nfs/dbraw/zinc/07/34/26/1073073426.db2.gz REQIBLSBOAHOAO-ZDUSSCGKSA-N 1 2 378.429 -0.596 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC[N@H+]1CCO ZINC000427439618 1072436055 /nfs/dbraw/zinc/43/60/55/1072436055.db2.gz RZTZOJNTWYMLPW-LLVKDONJSA-N 1 2 390.362 -0.126 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC[N@@H+]1CCO ZINC000427439618 1072436052 /nfs/dbraw/zinc/43/60/52/1072436052.db2.gz RZTZOJNTWYMLPW-LLVKDONJSA-N 1 2 390.362 -0.126 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC[N@H+]1CCO ZINC000427439619 1073073544 /nfs/dbraw/zinc/07/35/44/1073073544.db2.gz RZTZOJNTWYMLPW-NSHDSACASA-N 1 2 390.362 -0.126 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC[N@@H+]1CCO ZINC000427439619 1073073532 /nfs/dbraw/zinc/07/35/32/1073073532.db2.gz RZTZOJNTWYMLPW-NSHDSACASA-N 1 2 390.362 -0.126 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1S(N)(=O)=O ZINC000427439685 1072435886 /nfs/dbraw/zinc/43/58/86/1072435886.db2.gz SUVBLHGLLKMPGX-GFCCVEGCSA-N 1 2 384.458 -0.894 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1S(N)(=O)=O ZINC000427439685 1072435883 /nfs/dbraw/zinc/43/58/83/1072435883.db2.gz SUVBLHGLLKMPGX-GFCCVEGCSA-N 1 2 384.458 -0.894 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000427439686 1073072657 /nfs/dbraw/zinc/07/26/57/1073072657.db2.gz SUVBLHGLLKMPGX-LBPRGKRZSA-N 1 2 384.458 -0.894 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000427439686 1073072644 /nfs/dbraw/zinc/07/26/44/1073072644.db2.gz SUVBLHGLLKMPGX-LBPRGKRZSA-N 1 2 384.458 -0.894 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)n(-c2ccc(C)nn2)n1 ZINC000427441847 1073072755 /nfs/dbraw/zinc/07/27/55/1073072755.db2.gz MXKBUDRBLHXJRF-AWEZNQCLSA-N 1 2 387.444 -0.257 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)n(-c2ccc(C)nn2)n1 ZINC000427441847 1073072740 /nfs/dbraw/zinc/07/27/40/1073072740.db2.gz MXKBUDRBLHXJRF-AWEZNQCLSA-N 1 2 387.444 -0.257 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n(-c2ccc(C)nn2)n1 ZINC000427441848 1073072463 /nfs/dbraw/zinc/07/24/63/1073072463.db2.gz MXKBUDRBLHXJRF-CQSZACIVSA-N 1 2 387.444 -0.257 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)n(-c2ccc(C)nn2)n1 ZINC000427441848 1073072456 /nfs/dbraw/zinc/07/24/56/1073072456.db2.gz MXKBUDRBLHXJRF-CQSZACIVSA-N 1 2 387.444 -0.257 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC[N@H+]1CCO ZINC000427443718 1073073000 /nfs/dbraw/zinc/07/30/00/1073073000.db2.gz WHIOIPDGIAUSPS-HNNXBMFYSA-N 1 2 399.451 -0.245 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC[N@@H+]1CCO ZINC000427443718 1073072987 /nfs/dbraw/zinc/07/29/87/1073072987.db2.gz WHIOIPDGIAUSPS-HNNXBMFYSA-N 1 2 399.451 -0.245 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC[N@H+]1CCO ZINC000427443719 1073073812 /nfs/dbraw/zinc/07/38/12/1073073812.db2.gz WHIOIPDGIAUSPS-OAHLLOKOSA-N 1 2 399.451 -0.245 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC[N@@H+]1CCO ZINC000427443719 1073073804 /nfs/dbraw/zinc/07/38/04/1073073804.db2.gz WHIOIPDGIAUSPS-OAHLLOKOSA-N 1 2 399.451 -0.245 20 0 GBADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427443819 1073074109 /nfs/dbraw/zinc/07/41/09/1073074109.db2.gz NASMFCWYYYHNJH-CYBMUJFWSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427443819 1073074104 /nfs/dbraw/zinc/07/41/04/1073074104.db2.gz NASMFCWYYYHNJH-CYBMUJFWSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427443821 1073073726 /nfs/dbraw/zinc/07/37/26/1073073726.db2.gz NASMFCWYYYHNJH-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427443821 1073073717 /nfs/dbraw/zinc/07/37/17/1073073717.db2.gz NASMFCWYYYHNJH-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1NS(C)(=O)=O ZINC000427444196 1073071372 /nfs/dbraw/zinc/07/13/72/1073071372.db2.gz YYRINMBUIGJSRM-CYBMUJFWSA-N 1 2 398.485 -0.170 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1NS(C)(=O)=O ZINC000427444196 1073071363 /nfs/dbraw/zinc/07/13/63/1073071363.db2.gz YYRINMBUIGJSRM-CYBMUJFWSA-N 1 2 398.485 -0.170 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1NS(C)(=O)=O ZINC000427444197 1073071551 /nfs/dbraw/zinc/07/15/51/1073071551.db2.gz YYRINMBUIGJSRM-ZDUSSCGKSA-N 1 2 398.485 -0.170 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1NS(C)(=O)=O ZINC000427444197 1073071543 /nfs/dbraw/zinc/07/15/43/1073071543.db2.gz YYRINMBUIGJSRM-ZDUSSCGKSA-N 1 2 398.485 -0.170 20 0 GBADLO O=S(=O)(CCCF)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427451041 530108953 /nfs/dbraw/zinc/10/89/53/530108953.db2.gz OXHVXRPBYQYZHI-UHFFFAOYSA-N 1 2 394.494 -0.188 20 0 GBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC1CCCCC1 ZINC000427526143 1073077771 /nfs/dbraw/zinc/07/77/71/1073077771.db2.gz VXAIYICHQRTCTD-UHFFFAOYSA-N 1 2 380.445 -0.052 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC000427644542 1073202588 /nfs/dbraw/zinc/20/25/88/1073202588.db2.gz JIVGUXFOZINBEP-JXFKEZNVSA-N 1 2 391.468 -0.455 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC000427644543 1073202658 /nfs/dbraw/zinc/20/26/58/1073202658.db2.gz JIVGUXFOZINBEP-OXJNMPFZSA-N 1 2 391.468 -0.455 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC000427644544 1073202914 /nfs/dbraw/zinc/20/29/14/1073202914.db2.gz JIVGUXFOZINBEP-OXQOHEQNSA-N 1 2 391.468 -0.455 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC000427644545 1073202789 /nfs/dbraw/zinc/20/27/89/1073202789.db2.gz JIVGUXFOZINBEP-UZLBHIALSA-N 1 2 391.468 -0.455 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CCO1 ZINC000427730945 1073210258 /nfs/dbraw/zinc/21/02/58/1073210258.db2.gz JVJTYWMGKVAELE-LLVKDONJSA-N 1 2 378.433 -0.478 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CCO1 ZINC000427730945 1073210253 /nfs/dbraw/zinc/21/02/53/1073210253.db2.gz JVJTYWMGKVAELE-LLVKDONJSA-N 1 2 378.433 -0.478 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CCO1 ZINC000427730946 1073210177 /nfs/dbraw/zinc/21/01/77/1073210177.db2.gz JVJTYWMGKVAELE-NSHDSACASA-N 1 2 378.433 -0.478 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CCO1 ZINC000427730946 1073210173 /nfs/dbraw/zinc/21/01/73/1073210173.db2.gz JVJTYWMGKVAELE-NSHDSACASA-N 1 2 378.433 -0.478 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CCO1 ZINC000427738303 1073211127 /nfs/dbraw/zinc/21/11/27/1073211127.db2.gz BNZJDAHKMZQBCC-CYBMUJFWSA-N 1 2 389.456 -0.219 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CCO1 ZINC000427738303 1073211121 /nfs/dbraw/zinc/21/11/21/1073211121.db2.gz BNZJDAHKMZQBCC-CYBMUJFWSA-N 1 2 389.456 -0.219 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CCO1 ZINC000427738304 1073210792 /nfs/dbraw/zinc/21/07/92/1073210792.db2.gz BNZJDAHKMZQBCC-ZDUSSCGKSA-N 1 2 389.456 -0.219 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CCO1 ZINC000427738304 1073210783 /nfs/dbraw/zinc/21/07/83/1073210783.db2.gz BNZJDAHKMZQBCC-ZDUSSCGKSA-N 1 2 389.456 -0.219 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CCO1 ZINC000427742435 1073210083 /nfs/dbraw/zinc/21/00/83/1073210083.db2.gz QISVFGLWHAVKKR-CYBMUJFWSA-N 1 2 377.445 -0.734 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CCO1 ZINC000427742435 1073210075 /nfs/dbraw/zinc/21/00/75/1073210075.db2.gz QISVFGLWHAVKKR-CYBMUJFWSA-N 1 2 377.445 -0.734 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CCO1 ZINC000427742440 1073210324 /nfs/dbraw/zinc/21/03/24/1073210324.db2.gz QISVFGLWHAVKKR-ZDUSSCGKSA-N 1 2 377.445 -0.734 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CCO1 ZINC000427742440 1073210321 /nfs/dbraw/zinc/21/03/21/1073210321.db2.gz QISVFGLWHAVKKR-ZDUSSCGKSA-N 1 2 377.445 -0.734 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@](O)(C2CC2)C1 ZINC000427770181 1073211093 /nfs/dbraw/zinc/21/10/93/1073211093.db2.gz XDQBFVAZLFYTMD-GOSISDBHSA-N 1 2 377.445 -0.473 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@](O)(C2CC2)C1 ZINC000427770182 1073210842 /nfs/dbraw/zinc/21/08/42/1073210842.db2.gz XDQBFVAZLFYTMD-SFHVURJKSA-N 1 2 377.445 -0.473 20 0 GBADLO O=C(CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)NCC1CC1 ZINC000427827976 1073213522 /nfs/dbraw/zinc/21/35/22/1073213522.db2.gz TTYSQGFNJNFUFV-UHFFFAOYSA-N 1 2 388.472 -0.122 20 0 GBADLO O=C(CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)NCC1CC1 ZINC000427827976 1073213520 /nfs/dbraw/zinc/21/35/20/1073213520.db2.gz TTYSQGFNJNFUFV-UHFFFAOYSA-N 1 2 388.472 -0.122 20 0 GBADLO C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000427840958 1073213837 /nfs/dbraw/zinc/21/38/37/1073213837.db2.gz XNMWKIILIMZCGQ-FQEVSTJZSA-N 1 2 398.467 -0.171 20 0 GBADLO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000427840970 1073213722 /nfs/dbraw/zinc/21/37/22/1073213722.db2.gz XNMWKIILIMZCGQ-HXUWFJFHSA-N 1 2 398.467 -0.171 20 0 GBADLO COCCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCOC1 ZINC000427902758 1073215964 /nfs/dbraw/zinc/21/59/64/1073215964.db2.gz IIEVRYLDBGWKHF-INIZCTEOSA-N 1 2 395.460 -0.582 20 0 GBADLO COCCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCOC1 ZINC000427902759 1073215801 /nfs/dbraw/zinc/21/58/01/1073215801.db2.gz IIEVRYLDBGWKHF-MRXNPFEDSA-N 1 2 395.460 -0.582 20 0 GBADLO C[C@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000427906024 1073216675 /nfs/dbraw/zinc/21/66/75/1073216675.db2.gz RBTQHHCCGVYDSZ-KBPBESRZSA-N 1 2 389.456 -0.363 20 0 GBADLO C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000427906027 1073216730 /nfs/dbraw/zinc/21/67/30/1073216730.db2.gz RBTQHHCCGVYDSZ-KGLIPLIRSA-N 1 2 389.456 -0.363 20 0 GBADLO C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000427906029 1073216753 /nfs/dbraw/zinc/21/67/53/1073216753.db2.gz RBTQHHCCGVYDSZ-UONOGXRCSA-N 1 2 389.456 -0.363 20 0 GBADLO C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000427906031 1073216444 /nfs/dbraw/zinc/21/64/44/1073216444.db2.gz RBTQHHCCGVYDSZ-ZIAGYGMSSA-N 1 2 389.456 -0.363 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCc3nnn(C)n3)cc2)CC1 ZINC000427922865 1073217939 /nfs/dbraw/zinc/21/79/39/1073217939.db2.gz LPJIJKAJGKQRFN-UHFFFAOYSA-N 1 2 386.460 -0.398 20 0 GBADLO Cn1nc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC(F)F ZINC000427961988 1073218752 /nfs/dbraw/zinc/21/87/52/1073218752.db2.gz SHOCGOLCEHZYPW-LLVKDONJSA-N 1 2 387.387 0.141 20 0 GBADLO c1c(NCCN2CCOCC2)nc(NCCN2CCOCC2)[nH+]c1C1CC1 ZINC000427983986 1073219017 /nfs/dbraw/zinc/21/90/17/1073219017.db2.gz VWJQZHXTPQMOCD-UHFFFAOYSA-N 1 2 376.505 -0.314 20 0 GBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000428007900 1073220141 /nfs/dbraw/zinc/22/01/41/1073220141.db2.gz YBUNRIWJSMQBGC-GFCCVEGCSA-N 1 2 379.442 -0.023 20 0 GBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000428007901 1073219881 /nfs/dbraw/zinc/21/98/81/1073219881.db2.gz YBUNRIWJSMQBGC-LBPRGKRZSA-N 1 2 379.442 -0.023 20 0 GBADLO COCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCO[C@H]1C ZINC000428011608 1073220187 /nfs/dbraw/zinc/22/01/87/1073220187.db2.gz QFGWQOHWGTYHGN-BBWFWOEESA-N 1 2 383.489 -0.181 20 0 GBADLO COCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCO[C@@H]1C ZINC000428011609 1073219796 /nfs/dbraw/zinc/21/97/96/1073219796.db2.gz QFGWQOHWGTYHGN-BRWVUGGUSA-N 1 2 383.489 -0.181 20 0 GBADLO COCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCO[C@H]1C ZINC000428011610 1072529260 /nfs/dbraw/zinc/52/92/60/1072529260.db2.gz QFGWQOHWGTYHGN-GVDBMIGSSA-N 1 2 383.489 -0.181 20 0 GBADLO COCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCO[C@@H]1C ZINC000428011611 1072529674 /nfs/dbraw/zinc/52/96/74/1072529674.db2.gz QFGWQOHWGTYHGN-ZACQAIPSSA-N 1 2 383.489 -0.181 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CCO1 ZINC000428054444 1073222151 /nfs/dbraw/zinc/22/21/51/1073222151.db2.gz NNYUQWBIDVXHIQ-CYBMUJFWSA-N 1 2 389.456 -0.219 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CCO1 ZINC000428054444 1073222147 /nfs/dbraw/zinc/22/21/47/1073222147.db2.gz NNYUQWBIDVXHIQ-CYBMUJFWSA-N 1 2 389.456 -0.219 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CCO1 ZINC000428054450 1073221972 /nfs/dbraw/zinc/22/19/72/1073221972.db2.gz NNYUQWBIDVXHIQ-ZDUSSCGKSA-N 1 2 389.456 -0.219 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CCO1 ZINC000428054450 1073221968 /nfs/dbraw/zinc/22/19/68/1073221968.db2.gz NNYUQWBIDVXHIQ-ZDUSSCGKSA-N 1 2 389.456 -0.219 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCO1 ZINC000428055235 1073221908 /nfs/dbraw/zinc/22/19/08/1073221908.db2.gz DEUKYCIQENKTMR-HNNXBMFYSA-N 1 2 388.476 -0.037 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCO1 ZINC000428055235 1073221906 /nfs/dbraw/zinc/22/19/06/1073221906.db2.gz DEUKYCIQENKTMR-HNNXBMFYSA-N 1 2 388.476 -0.037 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCO1 ZINC000428055242 1073222177 /nfs/dbraw/zinc/22/21/77/1073222177.db2.gz DEUKYCIQENKTMR-OAHLLOKOSA-N 1 2 388.476 -0.037 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCO1 ZINC000428055242 1073222175 /nfs/dbraw/zinc/22/21/75/1073222175.db2.gz DEUKYCIQENKTMR-OAHLLOKOSA-N 1 2 388.476 -0.037 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CCO1 ZINC000428067148 1073222001 /nfs/dbraw/zinc/22/20/01/1073222001.db2.gz QVCRHJAEWSKZAT-CYBMUJFWSA-N 1 2 388.490 -0.220 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CCO1 ZINC000428067148 1073221993 /nfs/dbraw/zinc/22/19/93/1073221993.db2.gz QVCRHJAEWSKZAT-CYBMUJFWSA-N 1 2 388.490 -0.220 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CCO1 ZINC000428067149 1073222159 /nfs/dbraw/zinc/22/21/59/1073222159.db2.gz QVCRHJAEWSKZAT-ZDUSSCGKSA-N 1 2 388.490 -0.220 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CCO1 ZINC000428067149 1073222157 /nfs/dbraw/zinc/22/21/57/1073222157.db2.gz QVCRHJAEWSKZAT-ZDUSSCGKSA-N 1 2 388.490 -0.220 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCO1 ZINC000428068635 1073222961 /nfs/dbraw/zinc/22/29/61/1073222961.db2.gz CAOMIGRWERLDLI-CYBMUJFWSA-N 1 2 375.429 -0.527 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCO1 ZINC000428068635 1073222956 /nfs/dbraw/zinc/22/29/56/1073222956.db2.gz CAOMIGRWERLDLI-CYBMUJFWSA-N 1 2 375.429 -0.527 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCO1 ZINC000428068637 1073222803 /nfs/dbraw/zinc/22/28/03/1073222803.db2.gz CAOMIGRWERLDLI-ZDUSSCGKSA-N 1 2 375.429 -0.527 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCO1 ZINC000428068637 1073222795 /nfs/dbraw/zinc/22/27/95/1073222795.db2.gz CAOMIGRWERLDLI-ZDUSSCGKSA-N 1 2 375.429 -0.527 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CCO1 ZINC000428069970 1073222861 /nfs/dbraw/zinc/22/28/61/1073222861.db2.gz KOLAPKFOSJTCNF-GFCCVEGCSA-N 1 2 375.429 -0.527 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CCO1 ZINC000428069970 1073222855 /nfs/dbraw/zinc/22/28/55/1073222855.db2.gz KOLAPKFOSJTCNF-GFCCVEGCSA-N 1 2 375.429 -0.527 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CCO1 ZINC000428069971 1073222650 /nfs/dbraw/zinc/22/26/50/1073222650.db2.gz KOLAPKFOSJTCNF-LBPRGKRZSA-N 1 2 375.429 -0.527 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CCO1 ZINC000428069971 1073222638 /nfs/dbraw/zinc/22/26/38/1073222638.db2.gz KOLAPKFOSJTCNF-LBPRGKRZSA-N 1 2 375.429 -0.527 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CCO1 ZINC000428086791 1073223632 /nfs/dbraw/zinc/22/36/32/1073223632.db2.gz CDJBLPQVEVSFIB-AWEZNQCLSA-N 1 2 392.522 -0.953 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CCO1 ZINC000428086791 1073223629 /nfs/dbraw/zinc/22/36/29/1073223629.db2.gz CDJBLPQVEVSFIB-AWEZNQCLSA-N 1 2 392.522 -0.953 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CCO1 ZINC000428086792 1073223524 /nfs/dbraw/zinc/22/35/24/1073223524.db2.gz CDJBLPQVEVSFIB-CQSZACIVSA-N 1 2 392.522 -0.953 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CCO1 ZINC000428086792 1073223523 /nfs/dbraw/zinc/22/35/23/1073223523.db2.gz CDJBLPQVEVSFIB-CQSZACIVSA-N 1 2 392.522 -0.953 20 0 GBADLO CCc1nnc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1CC ZINC000428112495 1073224003 /nfs/dbraw/zinc/22/40/03/1073224003.db2.gz MFVAFMGTZNHONP-UHFFFAOYSA-N 1 2 383.522 -0.389 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000428123187 530282564 /nfs/dbraw/zinc/28/25/64/530282564.db2.gz FKQSIALLXHAJFF-GFCCVEGCSA-N 1 2 375.451 -0.886 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000428123188 530282718 /nfs/dbraw/zinc/28/27/18/530282718.db2.gz FKQSIALLXHAJFF-LBPRGKRZSA-N 1 2 375.451 -0.886 20 0 GBADLO OC[C@H]1C=C[C@@H](Nc2nc(N[C@@H]3C=C[C@H](CO)C3)[nH+]c(N3CCOCC3)n2)C1 ZINC000428128365 1073224766 /nfs/dbraw/zinc/22/47/66/1073224766.db2.gz BFOVZHLVBBGJLJ-CAOSSQGBSA-N 1 2 388.472 -0.750 20 0 GBADLO CN(C)S(=O)(=O)CCNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000428148265 530347583 /nfs/dbraw/zinc/34/75/83/530347583.db2.gz WBKFFTJXLOCKND-UHFFFAOYSA-N 1 2 391.515 -0.357 20 0 GBADLO C[C@@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC[N@H+]1CCO ZINC000428161979 530375315 /nfs/dbraw/zinc/37/53/15/530375315.db2.gz WLHJFZNEEKTJBO-GFCCVEGCSA-N 1 2 375.516 -0.022 20 0 GBADLO C[C@@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC[N@@H+]1CCO ZINC000428161979 530375314 /nfs/dbraw/zinc/37/53/14/530375314.db2.gz WLHJFZNEEKTJBO-GFCCVEGCSA-N 1 2 375.516 -0.022 20 0 GBADLO C[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC[N@H+]1CCO ZINC000428161981 530375185 /nfs/dbraw/zinc/37/51/85/530375185.db2.gz WLHJFZNEEKTJBO-LBPRGKRZSA-N 1 2 375.516 -0.022 20 0 GBADLO C[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC[N@@H+]1CCO ZINC000428161981 530375183 /nfs/dbraw/zinc/37/51/83/530375183.db2.gz WLHJFZNEEKTJBO-LBPRGKRZSA-N 1 2 375.516 -0.022 20 0 GBADLO CC(C)(CNC(=O)NCCNS(=O)(=O)Cc1ccon1)[NH+]1CCOCC1 ZINC000428172533 1073226913 /nfs/dbraw/zinc/22/69/13/1073226913.db2.gz ZVJYRXDBWIKHEA-UHFFFAOYSA-N 1 2 389.478 -0.496 20 0 GBADLO OC1(C2CC2)CN(c2nc(N3CCOCC3)nc(N3CC(O)(C4CC4)C3)[nH+]2)C1 ZINC000428237121 1073231954 /nfs/dbraw/zinc/23/19/54/1073231954.db2.gz ABPBYIDAEIOQEP-UHFFFAOYSA-N 1 2 388.472 -0.370 20 0 GBADLO OC1(C2CC2)CN(c2nc(N3CC(O)(C4CC4)C3)[nH+]c(N3CCOCC3)n2)C1 ZINC000428237121 1073231947 /nfs/dbraw/zinc/23/19/47/1073231947.db2.gz ABPBYIDAEIOQEP-UHFFFAOYSA-N 1 2 388.472 -0.370 20 0 GBADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000428265837 1073277831 /nfs/dbraw/zinc/27/78/31/1073277831.db2.gz AORUTGYQOQGPOD-UHFFFAOYSA-N 1 2 389.478 -0.496 20 0 GBADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000428265837 1073277829 /nfs/dbraw/zinc/27/78/29/1073277829.db2.gz AORUTGYQOQGPOD-UHFFFAOYSA-N 1 2 389.478 -0.496 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000428266984 530375162 /nfs/dbraw/zinc/37/51/62/530375162.db2.gz GCIRFGXAKOPQRC-UHFFFAOYSA-N 1 2 379.508 -0.653 20 0 GBADLO C[C@@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)[C@@H](C)[NH+]1CCOCC1 ZINC000428286210 1073313458 /nfs/dbraw/zinc/31/34/58/1073313458.db2.gz AMEPPXDMTCQVAA-CHWSQXEVSA-N 1 2 389.478 -0.498 20 0 GBADLO C[C@@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)[C@H](C)[NH+]1CCOCC1 ZINC000428286212 1073312998 /nfs/dbraw/zinc/31/29/98/1073312998.db2.gz AMEPPXDMTCQVAA-OLZOCXBDSA-N 1 2 389.478 -0.498 20 0 GBADLO C[C@H]([C@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccon1)[NH+]1CCOCC1 ZINC000428286214 1073313524 /nfs/dbraw/zinc/31/35/24/1073313524.db2.gz AMEPPXDMTCQVAA-QWHCGFSZSA-N 1 2 389.478 -0.498 20 0 GBADLO C[C@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)[C@H](C)[NH+]1CCOCC1 ZINC000428286217 1073313189 /nfs/dbraw/zinc/31/31/89/1073313189.db2.gz AMEPPXDMTCQVAA-STQMWFEESA-N 1 2 389.478 -0.498 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428345569 1073504773 /nfs/dbraw/zinc/50/47/73/1073504773.db2.gz JFYRZUVXAALHFF-AAEUAGOBSA-N 1 2 391.453 -0.220 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428345570 1073504760 /nfs/dbraw/zinc/50/47/60/1073504760.db2.gz JFYRZUVXAALHFF-DGCLKSJQSA-N 1 2 391.453 -0.220 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428345571 1073504280 /nfs/dbraw/zinc/50/42/80/1073504280.db2.gz JFYRZUVXAALHFF-WCQYABFASA-N 1 2 391.453 -0.220 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428345573 1073504201 /nfs/dbraw/zinc/50/42/01/1073504201.db2.gz JFYRZUVXAALHFF-YPMHNXCESA-N 1 2 391.453 -0.220 20 0 GBADLO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428498372 1073724494 /nfs/dbraw/zinc/72/44/94/1073724494.db2.gz DSUYLIDVSGFTRL-NSHDSACASA-N 1 2 387.458 -0.510 20 0 GBADLO C[C@@H]1CN(C(=O)C2(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)CCC2)CCN1CCO ZINC000428516310 1073844891 /nfs/dbraw/zinc/84/48/91/1073844891.db2.gz MLMCFEREADYVJX-IAGOWNOFSA-N 1 2 396.532 -0.793 20 0 GBADLO C[C@@H]1CN(C(=O)C2(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)CCC2)CCN1CCO ZINC000428516310 1073844886 /nfs/dbraw/zinc/84/48/86/1073844886.db2.gz MLMCFEREADYVJX-IAGOWNOFSA-N 1 2 396.532 -0.793 20 0 GBADLO C[C@H]1CN(C(=O)C2(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)CCC2)CCN1CCO ZINC000428516311 1073844417 /nfs/dbraw/zinc/84/44/17/1073844417.db2.gz MLMCFEREADYVJX-IRXDYDNUSA-N 1 2 396.532 -0.793 20 0 GBADLO C[C@H]1CN(C(=O)C2(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)CCC2)CCN1CCO ZINC000428516311 1073844403 /nfs/dbraw/zinc/84/44/03/1073844403.db2.gz MLMCFEREADYVJX-IRXDYDNUSA-N 1 2 396.532 -0.793 20 0 GBADLO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428529545 1073860355 /nfs/dbraw/zinc/86/03/55/1073860355.db2.gz UMLBBFCNCBXNDZ-LLVKDONJSA-N 1 2 387.458 -0.510 20 0 GBADLO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428529545 1073860346 /nfs/dbraw/zinc/86/03/46/1073860346.db2.gz UMLBBFCNCBXNDZ-LLVKDONJSA-N 1 2 387.458 -0.510 20 0 GBADLO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428529546 1073860459 /nfs/dbraw/zinc/86/04/59/1073860459.db2.gz UMLBBFCNCBXNDZ-NSHDSACASA-N 1 2 387.458 -0.510 20 0 GBADLO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428529546 1073860451 /nfs/dbraw/zinc/86/04/51/1073860451.db2.gz UMLBBFCNCBXNDZ-NSHDSACASA-N 1 2 387.458 -0.510 20 0 GBADLO Cc1c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000428545280 1073890416 /nfs/dbraw/zinc/89/04/16/1073890416.db2.gz LJCOPESLWSYIPK-LLVKDONJSA-N 1 2 375.429 -0.921 20 0 GBADLO Cc1c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000428545280 1073890407 /nfs/dbraw/zinc/89/04/07/1073890407.db2.gz LJCOPESLWSYIPK-LLVKDONJSA-N 1 2 375.429 -0.921 20 0 GBADLO Cc1c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000428545284 1073890083 /nfs/dbraw/zinc/89/00/83/1073890083.db2.gz LJCOPESLWSYIPK-NSHDSACASA-N 1 2 375.429 -0.921 20 0 GBADLO Cc1c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000428545284 1073890066 /nfs/dbraw/zinc/89/00/66/1073890066.db2.gz LJCOPESLWSYIPK-NSHDSACASA-N 1 2 375.429 -0.921 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000428775181 530375823 /nfs/dbraw/zinc/37/58/23/530375823.db2.gz BIOHRNQRFJVZGS-KBPBESRZSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000428775181 530375820 /nfs/dbraw/zinc/37/58/20/530375820.db2.gz BIOHRNQRFJVZGS-KBPBESRZSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000428775182 530375677 /nfs/dbraw/zinc/37/56/77/530375677.db2.gz BIOHRNQRFJVZGS-KGLIPLIRSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000428775182 530375675 /nfs/dbraw/zinc/37/56/75/530375675.db2.gz BIOHRNQRFJVZGS-KGLIPLIRSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000428775183 530375830 /nfs/dbraw/zinc/37/58/30/530375830.db2.gz BIOHRNQRFJVZGS-UONOGXRCSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000428775183 530375827 /nfs/dbraw/zinc/37/58/27/530375827.db2.gz BIOHRNQRFJVZGS-UONOGXRCSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000428775184 530375509 /nfs/dbraw/zinc/37/55/09/530375509.db2.gz BIOHRNQRFJVZGS-ZIAGYGMSSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000428775184 530375506 /nfs/dbraw/zinc/37/55/06/530375506.db2.gz BIOHRNQRFJVZGS-ZIAGYGMSSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428778566 530375608 /nfs/dbraw/zinc/37/56/08/530375608.db2.gz LQACLENPTKPXGD-AWEZNQCLSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428778566 530375606 /nfs/dbraw/zinc/37/56/06/530375606.db2.gz LQACLENPTKPXGD-AWEZNQCLSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428778567 530375628 /nfs/dbraw/zinc/37/56/28/530375628.db2.gz LQACLENPTKPXGD-CQSZACIVSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428778567 530375625 /nfs/dbraw/zinc/37/56/25/530375625.db2.gz LQACLENPTKPXGD-CQSZACIVSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)C1(NC(=O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)CCCCC1 ZINC000428803756 530375541 /nfs/dbraw/zinc/37/55/41/530375541.db2.gz RTTJRZCBJXVWLK-CYBMUJFWSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)C1(NC(=O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)CCCCC1 ZINC000428803756 530375539 /nfs/dbraw/zinc/37/55/39/530375539.db2.gz RTTJRZCBJXVWLK-CYBMUJFWSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)C1(NC(=O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CCCCC1 ZINC000428803760 530375651 /nfs/dbraw/zinc/37/56/51/530375651.db2.gz RTTJRZCBJXVWLK-ZDUSSCGKSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)C1(NC(=O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CCCCC1 ZINC000428803760 530375650 /nfs/dbraw/zinc/37/56/50/530375650.db2.gz RTTJRZCBJXVWLK-ZDUSSCGKSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428815782 530375671 /nfs/dbraw/zinc/37/56/71/530375671.db2.gz KAJMWEVKCMZBTI-KBPBESRZSA-N 1 2 375.491 -0.104 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428815782 530375670 /nfs/dbraw/zinc/37/56/70/530375670.db2.gz KAJMWEVKCMZBTI-KBPBESRZSA-N 1 2 375.491 -0.104 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428815783 530375533 /nfs/dbraw/zinc/37/55/33/530375533.db2.gz KAJMWEVKCMZBTI-KGLIPLIRSA-N 1 2 375.491 -0.104 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428815783 530375532 /nfs/dbraw/zinc/37/55/32/530375532.db2.gz KAJMWEVKCMZBTI-KGLIPLIRSA-N 1 2 375.491 -0.104 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428815784 530375848 /nfs/dbraw/zinc/37/58/48/530375848.db2.gz KAJMWEVKCMZBTI-UONOGXRCSA-N 1 2 375.491 -0.104 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428815784 530375847 /nfs/dbraw/zinc/37/58/47/530375847.db2.gz KAJMWEVKCMZBTI-UONOGXRCSA-N 1 2 375.491 -0.104 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428815785 530108633 /nfs/dbraw/zinc/10/86/33/530108633.db2.gz KAJMWEVKCMZBTI-ZIAGYGMSSA-N 1 2 375.491 -0.104 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428815785 530108632 /nfs/dbraw/zinc/10/86/32/530108632.db2.gz KAJMWEVKCMZBTI-ZIAGYGMSSA-N 1 2 375.491 -0.104 20 0 GBADLO CC(C)(CNC(=O)CN1CCC(CS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000429234674 530376390 /nfs/dbraw/zinc/37/63/90/530376390.db2.gz ZGQLNXZFTYEVMQ-UHFFFAOYSA-N 1 2 375.535 -0.030 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429311844 530376707 /nfs/dbraw/zinc/37/67/07/530376707.db2.gz RTAKUZIAKXTODW-GFCCVEGCSA-N 1 2 375.451 -0.886 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429311844 530376706 /nfs/dbraw/zinc/37/67/06/530376706.db2.gz RTAKUZIAKXTODW-GFCCVEGCSA-N 1 2 375.451 -0.886 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429311845 530376386 /nfs/dbraw/zinc/37/63/86/530376386.db2.gz RTAKUZIAKXTODW-LBPRGKRZSA-N 1 2 375.451 -0.886 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429311845 530376384 /nfs/dbraw/zinc/37/63/84/530376384.db2.gz RTAKUZIAKXTODW-LBPRGKRZSA-N 1 2 375.451 -0.886 20 0 GBADLO CN(CC[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429319894 530376367 /nfs/dbraw/zinc/37/63/67/530376367.db2.gz UCEMUXBROXAPTP-UHFFFAOYSA-N 1 2 375.451 -0.932 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000429596949 1072912952 /nfs/dbraw/zinc/91/29/52/1072912952.db2.gz ZLYUSGROJGJGBE-UHFFFAOYSA-N 1 2 382.442 -0.922 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000429673687 1073176075 /nfs/dbraw/zinc/17/60/75/1073176075.db2.gz BAHBNLOHYFQGHN-UHFFFAOYSA-N 1 2 398.460 -0.473 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000429676732 1073302211 /nfs/dbraw/zinc/30/22/11/1073302211.db2.gz LBYJNXJFWRTUNO-UHFFFAOYSA-N 1 2 394.497 -0.091 20 0 GBADLO COc1cc(OC)cc(C(=O)N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)c1 ZINC000429679229 1073302277 /nfs/dbraw/zinc/30/22/77/1073302277.db2.gz PJECFCVJQQARTR-UHFFFAOYSA-N 1 2 390.440 -0.580 20 0 GBADLO O=C(COc1ccc(F)cc1)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000429692329 1073515970 /nfs/dbraw/zinc/51/59/70/1073515970.db2.gz JFHWXQNSJAXJAN-UHFFFAOYSA-N 1 2 378.404 -0.693 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000429731195 1073947316 /nfs/dbraw/zinc/94/73/16/1073947316.db2.gz JONDNJINBSZMHY-UHFFFAOYSA-N 1 2 380.470 -0.908 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000429809975 1073696943 /nfs/dbraw/zinc/69/69/43/1073696943.db2.gz ODQUVQMIKSVZLU-UHFFFAOYSA-N 1 2 380.470 -0.612 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000429817549 1073724377 /nfs/dbraw/zinc/72/43/77/1073724377.db2.gz COJCKJIGQXBNLA-UHFFFAOYSA-N 1 2 394.497 -0.091 20 0 GBADLO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CN2CC[NH2+]CC2=O)s1 ZINC000429825270 530377071 /nfs/dbraw/zinc/37/70/71/530377071.db2.gz YBCQKAYYMLAXCA-UHFFFAOYSA-N 1 2 388.515 -0.173 20 0 GBADLO COc1ccc(C(=O)N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)cc1OC ZINC000429831677 1073762585 /nfs/dbraw/zinc/76/25/85/1073762585.db2.gz ZOTINSBFARZQDQ-UHFFFAOYSA-N 1 2 390.440 -0.580 20 0 GBADLO Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CN3CC[NH2+]CC3=O)CC2)cc1 ZINC000429835814 1073769342 /nfs/dbraw/zinc/76/93/42/1073769342.db2.gz CEQZMNUNQWPKHI-UHFFFAOYSA-N 1 2 394.497 -0.304 20 0 GBADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CN1CC[NH2+]CC1=O ZINC000429842666 1073841889 /nfs/dbraw/zinc/84/18/89/1073841889.db2.gz HKGQQKWCPJFVLQ-UHFFFAOYSA-N 1 2 382.442 -0.494 20 0 GBADLO CC(C)n1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000429856855 1073879177 /nfs/dbraw/zinc/87/91/77/1073879177.db2.gz ADXKEAQKMSFGGS-UHFFFAOYSA-N 1 2 385.494 -0.891 20 0 GBADLO Cc1c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nnn1C(C)C ZINC000429859710 1073879023 /nfs/dbraw/zinc/87/90/23/1073879023.db2.gz JUISOJJSQVSBAL-UHFFFAOYSA-N 1 2 399.521 -0.583 20 0 GBADLO COc1ccc(CCC(=O)N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)cc1 ZINC000429883946 1073893639 /nfs/dbraw/zinc/89/36/39/1073893639.db2.gz JKRNEQJNNAOVMJ-UHFFFAOYSA-N 1 2 388.468 -0.270 20 0 GBADLO COc1ccc(CNC(=O)C2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)cc1 ZINC000429884394 1073894551 /nfs/dbraw/zinc/89/45/51/1073894551.db2.gz BQAOJQUCNXOBHU-UHFFFAOYSA-N 1 2 388.468 -0.018 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000429886981 1073894306 /nfs/dbraw/zinc/89/43/06/1073894306.db2.gz PEXOGACCULAUCN-UHFFFAOYSA-N 1 2 380.470 -0.481 20 0 GBADLO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000429898635 1073896556 /nfs/dbraw/zinc/89/65/56/1073896556.db2.gz XEIGHUNGHSJLKG-UHFFFAOYSA-N 1 2 382.486 -0.438 20 0 GBADLO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)CN1CC[NH2+]CC1=O ZINC000429903095 1073896617 /nfs/dbraw/zinc/89/66/17/1073896617.db2.gz OKTAUYAVCQQQKW-UHFFFAOYSA-N 1 2 376.413 -0.462 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H]3CO)ccn2)CC1 ZINC000429903915 1073897037 /nfs/dbraw/zinc/89/70/37/1073897037.db2.gz PMXJQOXKLMVJKY-CQSZACIVSA-N 1 2 375.429 -0.609 20 0 GBADLO COc1ccc(NC(=O)Cn2cc(NC(=O)CN3CC[NH2+]CC3=O)cn2)cc1 ZINC000429905841 1073896915 /nfs/dbraw/zinc/89/69/15/1073896915.db2.gz UZABBDOPXNQWQV-UHFFFAOYSA-N 1 2 386.412 -0.099 20 0 GBADLO COc1cccc(C(=O)N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)c1OC ZINC000429933225 1073907442 /nfs/dbraw/zinc/90/74/42/1073907442.db2.gz YZUGXDYCSHSCNF-UHFFFAOYSA-N 1 2 390.440 -0.580 20 0 GBADLO O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000429965525 1073911324 /nfs/dbraw/zinc/91/13/24/1073911324.db2.gz HWQOIOSCYJVYGG-UHFFFAOYSA-N 1 2 394.859 -0.179 20 0 GBADLO COc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1S(=O)(=O)NC1CC1 ZINC000429985961 1073924967 /nfs/dbraw/zinc/92/49/67/1073924967.db2.gz FMHLGUOMNNSFPX-UHFFFAOYSA-N 1 2 382.442 -0.494 20 0 GBADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CC[NH2+]CC1=O ZINC000429987096 1073925542 /nfs/dbraw/zinc/92/55/42/1073925542.db2.gz HLXBGYIYLLNWIP-UHFFFAOYSA-N 1 2 384.458 -0.294 20 0 GBADLO Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000429987679 1073927332 /nfs/dbraw/zinc/92/73/32/1073927332.db2.gz DLIMICKONVLIAF-AWEZNQCLSA-N 1 2 387.444 -0.257 20 0 GBADLO Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000429987679 1073927327 /nfs/dbraw/zinc/92/73/27/1073927327.db2.gz DLIMICKONVLIAF-AWEZNQCLSA-N 1 2 387.444 -0.257 20 0 GBADLO Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n1 ZINC000429987684 1073928279 /nfs/dbraw/zinc/92/82/79/1073928279.db2.gz DLIMICKONVLIAF-CQSZACIVSA-N 1 2 387.444 -0.257 20 0 GBADLO Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)n1 ZINC000429987684 1073928270 /nfs/dbraw/zinc/92/82/70/1073928270.db2.gz DLIMICKONVLIAF-CQSZACIVSA-N 1 2 387.444 -0.257 20 0 GBADLO C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000429994439 1073938551 /nfs/dbraw/zinc/93/85/51/1073938551.db2.gz TVKVUJMUQAFENN-DZGCQCFKSA-N 1 2 379.461 -0.056 20 0 GBADLO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000429994441 1073938569 /nfs/dbraw/zinc/93/85/69/1073938569.db2.gz TVKVUJMUQAFENN-HIFRSBDPSA-N 1 2 379.461 -0.056 20 0 GBADLO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000429994443 1073938653 /nfs/dbraw/zinc/93/86/53/1073938653.db2.gz TVKVUJMUQAFENN-UKRRQHHQSA-N 1 2 379.461 -0.056 20 0 GBADLO C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000429994445 1073938136 /nfs/dbraw/zinc/93/81/36/1073938136.db2.gz TVKVUJMUQAFENN-ZFWWWQNUSA-N 1 2 379.461 -0.056 20 0 GBADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000429999710 1073955805 /nfs/dbraw/zinc/95/58/05/1073955805.db2.gz DSKCUFBPRFAPKC-GFCCVEGCSA-N 1 2 376.413 -0.262 20 0 GBADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000429999712 1073955580 /nfs/dbraw/zinc/95/55/80/1073955580.db2.gz DSKCUFBPRFAPKC-LBPRGKRZSA-N 1 2 376.413 -0.262 20 0 GBADLO COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)CN2CC[NH2+]CC2=O)c1 ZINC000430060533 1072447808 /nfs/dbraw/zinc/44/78/08/1072447808.db2.gz NZWUBHXBEZINHU-UHFFFAOYSA-N 1 2 389.416 -0.930 20 0 GBADLO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000430081812 1072641268 /nfs/dbraw/zinc/64/12/68/1072641268.db2.gz RLXZMTNOGCPDPL-LLVKDONJSA-N 1 2 380.426 -0.812 20 0 GBADLO COC(=O)c1ccsc1N1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1=O ZINC000430081813 1072641500 /nfs/dbraw/zinc/64/15/00/1072641500.db2.gz RLXZMTNOGCPDPL-NSHDSACASA-N 1 2 380.426 -0.812 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000430092181 1072642658 /nfs/dbraw/zinc/64/26/58/1072642658.db2.gz XRIYHRVRSPXCJK-AWEZNQCLSA-N 1 2 398.460 -0.473 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000430092182 1072642843 /nfs/dbraw/zinc/64/28/43/1072642843.db2.gz XRIYHRVRSPXCJK-CQSZACIVSA-N 1 2 398.460 -0.473 20 0 GBADLO CCNC(=O)COc1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cc1OC ZINC000430126102 1072670493 /nfs/dbraw/zinc/67/04/93/1072670493.db2.gz CQVJNBSMDQGBBJ-UHFFFAOYSA-N 1 2 378.429 -0.742 20 0 GBADLO COc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1OCC(=O)NC1CC1 ZINC000430155488 1072139116 /nfs/dbraw/zinc/13/91/16/1072139116.db2.gz IUZFXVNGFZJABW-UHFFFAOYSA-N 1 2 376.413 -0.277 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000430184811 530377450 /nfs/dbraw/zinc/37/74/50/530377450.db2.gz HGFJORCDBAKBQH-UHFFFAOYSA-N 1 2 386.499 -0.551 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000430234485 1072186456 /nfs/dbraw/zinc/18/64/56/1072186456.db2.gz WTOIXCRESZGDFQ-UHFFFAOYSA-N 1 2 394.497 -0.091 20 0 GBADLO C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000430242807 1072189377 /nfs/dbraw/zinc/18/93/77/1072189377.db2.gz TVYWKOGGWKPZTQ-KBPBESRZSA-N 1 2 392.460 -0.734 20 0 GBADLO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000430242808 1072189583 /nfs/dbraw/zinc/18/95/83/1072189583.db2.gz TVYWKOGGWKPZTQ-KGLIPLIRSA-N 1 2 392.460 -0.734 20 0 GBADLO C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000430242809 1072189631 /nfs/dbraw/zinc/18/96/31/1072189631.db2.gz TVYWKOGGWKPZTQ-UONOGXRCSA-N 1 2 392.460 -0.734 20 0 GBADLO C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000430242810 1072189215 /nfs/dbraw/zinc/18/92/15/1072189215.db2.gz TVYWKOGGWKPZTQ-ZIAGYGMSSA-N 1 2 392.460 -0.734 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000430261868 1072221809 /nfs/dbraw/zinc/22/18/09/1072221809.db2.gz SKDGJXCFBOVULM-AWEZNQCLSA-N 1 2 385.490 -0.109 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000430261870 1072221729 /nfs/dbraw/zinc/22/17/29/1072221729.db2.gz SKDGJXCFBOVULM-CQSZACIVSA-N 1 2 385.490 -0.109 20 0 GBADLO COc1ccccc1CC(=O)N1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430268282 1072223568 /nfs/dbraw/zinc/22/35/68/1072223568.db2.gz MSFZBWSLGVXYOS-UHFFFAOYSA-N 1 2 388.468 -0.223 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000430279842 1072232134 /nfs/dbraw/zinc/23/21/34/1072232134.db2.gz URUFFKMMRRJMLO-UHFFFAOYSA-N 1 2 394.497 -0.365 20 0 GBADLO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000430283780 530377544 /nfs/dbraw/zinc/37/75/44/530377544.db2.gz KUWYLLWBTRLZPF-BBRMVZONSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000430283780 530377542 /nfs/dbraw/zinc/37/75/42/530377542.db2.gz KUWYLLWBTRLZPF-BBRMVZONSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000430283781 530377622 /nfs/dbraw/zinc/37/76/22/530377622.db2.gz KUWYLLWBTRLZPF-CJNGLKHVSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000430283781 530377621 /nfs/dbraw/zinc/37/76/21/530377621.db2.gz KUWYLLWBTRLZPF-CJNGLKHVSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000430283782 530377310 /nfs/dbraw/zinc/37/73/10/530377310.db2.gz KUWYLLWBTRLZPF-CZUORRHYSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000430283782 530377308 /nfs/dbraw/zinc/37/73/08/530377308.db2.gz KUWYLLWBTRLZPF-CZUORRHYSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000430283783 530235080 /nfs/dbraw/zinc/23/50/80/530235080.db2.gz KUWYLLWBTRLZPF-XJKSGUPXSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000430283783 530235079 /nfs/dbraw/zinc/23/50/79/530235079.db2.gz KUWYLLWBTRLZPF-XJKSGUPXSA-N 1 2 375.491 -0.894 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000430287897 1072235889 /nfs/dbraw/zinc/23/58/89/1072235889.db2.gz CKMWSKUVZKQAGE-GFCCVEGCSA-N 1 2 375.347 -0.007 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000430287900 1072235979 /nfs/dbraw/zinc/23/59/79/1072235979.db2.gz CKMWSKUVZKQAGE-LBPRGKRZSA-N 1 2 375.347 -0.007 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000430293178 1072238416 /nfs/dbraw/zinc/23/84/16/1072238416.db2.gz DFZNCEPCMYLIIQ-UHFFFAOYSA-N 1 2 380.470 -0.659 20 0 GBADLO CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000430294193 1072238338 /nfs/dbraw/zinc/23/83/38/1072238338.db2.gz OCUKKXMTSFVTBA-UHFFFAOYSA-N 1 2 382.486 -0.189 20 0 GBADLO CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)CN1CC[NH2+]CC1=O ZINC000430295370 1072239655 /nfs/dbraw/zinc/23/96/55/1072239655.db2.gz BAUSKELTTFJMKM-UHFFFAOYSA-N 1 2 383.470 -0.251 20 0 GBADLO CCOc1ccc(C[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C(=O)OC)cc1 ZINC000430298097 1072241659 /nfs/dbraw/zinc/24/16/59/1072241659.db2.gz CGUAYGWADVLWAP-HNNXBMFYSA-N 1 2 377.441 -0.035 20 0 GBADLO CCOc1ccc(C[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C(=O)OC)cc1 ZINC000430298099 1072241828 /nfs/dbraw/zinc/24/18/28/1072241828.db2.gz CGUAYGWADVLWAP-OAHLLOKOSA-N 1 2 377.441 -0.035 20 0 GBADLO C[C@@H]1CN(C(=O)c2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)C[C@H](C)O1 ZINC000430298454 1072241911 /nfs/dbraw/zinc/24/19/11/1072241911.db2.gz LVVGFMCUABULSJ-GASCZTMLSA-N 1 2 388.468 -0.016 20 0 GBADLO C[C@H]1CN(C(=O)c2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)C[C@H](C)O1 ZINC000430298455 1072242245 /nfs/dbraw/zinc/24/22/45/1072242245.db2.gz LVVGFMCUABULSJ-GJZGRUSLSA-N 1 2 388.468 -0.016 20 0 GBADLO C[C@@H]1CN(C(=O)c2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)C[C@@H](C)O1 ZINC000430298456 1072241930 /nfs/dbraw/zinc/24/19/30/1072241930.db2.gz LVVGFMCUABULSJ-HUUCEWRRSA-N 1 2 388.468 -0.016 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000430298552 1072241865 /nfs/dbraw/zinc/24/18/65/1072241865.db2.gz KCMMMSAXTUDWTG-GFCCVEGCSA-N 1 2 375.347 -0.007 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000430298554 1072241961 /nfs/dbraw/zinc/24/19/61/1072241961.db2.gz KCMMMSAXTUDWTG-LBPRGKRZSA-N 1 2 375.347 -0.007 20 0 GBADLO CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)CN1CC[NH2+]CC1=O ZINC000430299456 1072243760 /nfs/dbraw/zinc/24/37/60/1072243760.db2.gz YDYYXIHTVZTNDH-UHFFFAOYSA-N 1 2 383.470 -0.251 20 0 GBADLO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000430307337 1072260108 /nfs/dbraw/zinc/26/01/08/1072260108.db2.gz SACOYSIGQPZOBQ-UHFFFAOYSA-N 1 2 382.486 -0.237 20 0 GBADLO COc1ccc(C(=O)N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)c(OC)c1 ZINC000430308625 1072259955 /nfs/dbraw/zinc/25/99/55/1072259955.db2.gz YFLQHIXNCWRKST-UHFFFAOYSA-N 1 2 390.440 -0.580 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000430390602 1072277378 /nfs/dbraw/zinc/27/73/78/1072277378.db2.gz XUIOTPBCFPQPLH-UHFFFAOYSA-N 1 2 394.497 -0.471 20 0 GBADLO Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)c1 ZINC000430400376 1072280791 /nfs/dbraw/zinc/28/07/91/1072280791.db2.gz JFRISFKMLWJEFR-INIZCTEOSA-N 1 2 388.468 -0.135 20 0 GBADLO Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)c1 ZINC000430400377 1072280870 /nfs/dbraw/zinc/28/08/70/1072280870.db2.gz JFRISFKMLWJEFR-MRXNPFEDSA-N 1 2 388.468 -0.135 20 0 GBADLO COc1cc(NC(=O)CN2CC[NH2+]CC2=O)ccc1S(=O)(=O)N1CCCC1 ZINC000430405649 1072282843 /nfs/dbraw/zinc/28/28/43/1072282843.db2.gz UCNYWRRMBSFZDW-UHFFFAOYSA-N 1 2 396.469 -0.150 20 0 GBADLO C[C@H]1C(=O)N(C)CCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430408601 1072285239 /nfs/dbraw/zinc/28/52/39/1072285239.db2.gz ZHEJJLBCJDPODW-HNNXBMFYSA-N 1 2 388.472 -0.008 20 0 GBADLO C[C@@H]1C(=O)N(C)CCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430408604 1072285138 /nfs/dbraw/zinc/28/51/38/1072285138.db2.gz ZHEJJLBCJDPODW-OAHLLOKOSA-N 1 2 388.472 -0.008 20 0 GBADLO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430419879 1072290749 /nfs/dbraw/zinc/29/07/49/1072290749.db2.gz VALONEQJZFLZMH-INIZCTEOSA-N 1 2 388.468 -0.135 20 0 GBADLO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430419880 1072290392 /nfs/dbraw/zinc/29/03/92/1072290392.db2.gz VALONEQJZFLZMH-MRXNPFEDSA-N 1 2 388.468 -0.135 20 0 GBADLO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)CN3CC[NH2+]CC3=O)C2=O)c1 ZINC000430422385 1072293719 /nfs/dbraw/zinc/29/37/19/1072293719.db2.gz DSTYLXMBXSGEJP-INIZCTEOSA-N 1 2 390.440 -0.301 20 0 GBADLO COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)CN3CC[NH2+]CC3=O)C2=O)c1 ZINC000430422386 1072293879 /nfs/dbraw/zinc/29/38/79/1072293879.db2.gz DSTYLXMBXSGEJP-MRXNPFEDSA-N 1 2 390.440 -0.301 20 0 GBADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000430423927 1072295553 /nfs/dbraw/zinc/29/55/53/1072295553.db2.gz IJLIQRQUGUUUPD-UHFFFAOYSA-N 1 2 394.457 -0.417 20 0 GBADLO CCOC(=O)c1cc(NC(=O)CN2CC[NH2+]CC2=O)cc(S(C)(=O)=O)c1 ZINC000430428542 1072297194 /nfs/dbraw/zinc/29/71/94/1072297194.db2.gz UXTOUBLCRUHAGL-UHFFFAOYSA-N 1 2 383.426 -0.363 20 0 GBADLO CNC(=O)[C@]1(C)CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000430433122 1072301365 /nfs/dbraw/zinc/30/13/65/1072301365.db2.gz UDEIOLVOJJTLCH-GOSISDBHSA-N 1 2 375.477 -0.234 20 0 GBADLO CNC(=O)[C@@]1(C)CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000430433123 1072301495 /nfs/dbraw/zinc/30/14/95/1072301495.db2.gz UDEIOLVOJJTLCH-SFHVURJKSA-N 1 2 375.477 -0.234 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000430435761 1072304284 /nfs/dbraw/zinc/30/42/84/1072304284.db2.gz HRUAKLWHWBOYBH-UHFFFAOYSA-N 1 2 376.413 -0.706 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000430438238 1072312724 /nfs/dbraw/zinc/31/27/24/1072312724.db2.gz MFASAVUAEXNOJC-CVEARBPZSA-N 1 2 378.477 -0.457 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H](CO)[C@H]1CCOC1 ZINC000430438240 1072313020 /nfs/dbraw/zinc/31/30/20/1072313020.db2.gz MFASAVUAEXNOJC-HOTGVXAUSA-N 1 2 378.477 -0.457 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H](CO)[C@@H]1CCOC1 ZINC000430438241 1072312971 /nfs/dbraw/zinc/31/29/71/1072312971.db2.gz MFASAVUAEXNOJC-HZPDHXFCSA-N 1 2 378.477 -0.457 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H](CO)[C@H]1CCOC1 ZINC000430438243 1072312716 /nfs/dbraw/zinc/31/27/16/1072312716.db2.gz MFASAVUAEXNOJC-JKSUJKDBSA-N 1 2 378.477 -0.457 20 0 GBADLO CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000430459879 1072331915 /nfs/dbraw/zinc/33/19/15/1072331915.db2.gz QUSZFYUCOANZCR-UHFFFAOYSA-N 1 2 399.473 -0.977 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NC[C@@H](O)COc1ccccc1Br ZINC000430470871 530377650 /nfs/dbraw/zinc/37/76/50/530377650.db2.gz SIFWABGHWUBRGE-LLVKDONJSA-N 1 2 386.246 -0.263 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NC[C@H](O)COc1ccccc1Br ZINC000430470873 530377586 /nfs/dbraw/zinc/37/75/86/530377586.db2.gz SIFWABGHWUBRGE-NSHDSACASA-N 1 2 386.246 -0.263 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000430480703 1072420900 /nfs/dbraw/zinc/42/09/00/1072420900.db2.gz DCBUABNKNGXSAS-CVEARBPZSA-N 1 2 380.489 -0.316 20 0 GBADLO COCCNc1ccc(S(C)(=O)=O)cc1NC(=O)CN1CC[NH2+]CC1=O ZINC000430485665 1072453463 /nfs/dbraw/zinc/45/34/63/1072453463.db2.gz SRNIGLIZGODIHH-UHFFFAOYSA-N 1 2 384.458 -0.481 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000430525255 1072514672 /nfs/dbraw/zinc/51/46/72/1072514672.db2.gz OKGVTGDTAAEERY-KRWDZBQOSA-N 1 2 385.468 -0.632 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000430525256 1072514883 /nfs/dbraw/zinc/51/48/83/1072514883.db2.gz OKGVTGDTAAEERY-QGZVFWFLSA-N 1 2 385.468 -0.632 20 0 GBADLO O=C(CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC(F)F ZINC000430526358 1072516737 /nfs/dbraw/zinc/51/67/37/1072516737.db2.gz FLDOQAUWUVFWMS-UHFFFAOYSA-N 1 2 398.414 -0.199 20 0 GBADLO COc1ccc(OC)c(CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)c1 ZINC000430680473 1072189608 /nfs/dbraw/zinc/18/96/08/1072189608.db2.gz OQFKOCOEPBSNAE-UHFFFAOYSA-N 1 2 376.457 -0.220 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430689848 1072196198 /nfs/dbraw/zinc/19/61/98/1072196198.db2.gz DUPQMIBCYPDERP-AWEZNQCLSA-N 1 2 391.447 -0.271 20 0 GBADLO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430689849 1072196286 /nfs/dbraw/zinc/19/62/86/1072196286.db2.gz DUPQMIBCYPDERP-CQSZACIVSA-N 1 2 391.447 -0.271 20 0 GBADLO O=C(CN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1)N1CCc2ccccc21 ZINC000430697085 1072203692 /nfs/dbraw/zinc/20/36/92/1072203692.db2.gz RSXGZFGBSYZTSE-UHFFFAOYSA-N 1 2 385.468 -0.848 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000430710716 1072210910 /nfs/dbraw/zinc/21/09/10/1072210910.db2.gz UAJVPYGSDRNCIP-UHFFFAOYSA-N 1 2 399.495 -0.458 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000430713992 1072212458 /nfs/dbraw/zinc/21/24/58/1072212458.db2.gz MGDZZZGAYLENFF-UHFFFAOYSA-N 1 2 391.447 -0.869 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430715343 1072212138 /nfs/dbraw/zinc/21/21/38/1072212138.db2.gz PEXXXNUXOIDQEN-UHFFFAOYSA-N 1 2 391.447 -0.588 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000430718136 1072212023 /nfs/dbraw/zinc/21/20/23/1072212023.db2.gz GHQCFOAWBORFRC-BFHYXJOUSA-N 1 2 393.431 -0.196 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000430718138 1072211853 /nfs/dbraw/zinc/21/18/53/1072211853.db2.gz GHQCFOAWBORFRC-MGPQQGTHSA-N 1 2 393.431 -0.196 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000430725507 1072213440 /nfs/dbraw/zinc/21/34/40/1072213440.db2.gz XHIPRBVJFZMJMO-INIZCTEOSA-N 1 2 376.457 -0.998 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000430725508 1072213290 /nfs/dbraw/zinc/21/32/90/1072213290.db2.gz XHIPRBVJFZMJMO-MRXNPFEDSA-N 1 2 376.457 -0.998 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000430725643 1072213259 /nfs/dbraw/zinc/21/32/59/1072213259.db2.gz RJCFHKPOPYPILR-UHFFFAOYSA-N 1 2 379.505 -0.741 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000430729827 1072213348 /nfs/dbraw/zinc/21/33/48/1072213348.db2.gz HYTKMPPMUJTOFP-UHFFFAOYSA-N 1 2 387.484 -0.337 20 0 GBADLO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CN1CC[NH2+]CC1=O ZINC000430740962 1072213405 /nfs/dbraw/zinc/21/34/05/1072213405.db2.gz HHNLROMAAKIBAT-UHFFFAOYSA-N 1 2 376.413 -0.320 20 0 GBADLO O=C(CN1CCOCC1)Nc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000430764461 1072214028 /nfs/dbraw/zinc/21/40/28/1072214028.db2.gz SCYRNZQKXNTZBF-UHFFFAOYSA-N 1 2 375.429 -0.672 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000430780845 1072214392 /nfs/dbraw/zinc/21/43/92/1072214392.db2.gz PNBQCNUZLKOSJY-JHJVBQTASA-N 1 2 379.404 -0.586 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000430780846 1072215433 /nfs/dbraw/zinc/21/54/33/1072215433.db2.gz PNBQCNUZLKOSJY-YNEHKIRRSA-N 1 2 379.404 -0.586 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000430790187 1072215303 /nfs/dbraw/zinc/21/53/03/1072215303.db2.gz FCCKVHNXLRGADL-CVEARBPZSA-N 1 2 383.489 -0.397 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000430790188 1072214852 /nfs/dbraw/zinc/21/48/52/1072214852.db2.gz FCCKVHNXLRGADL-HOTGVXAUSA-N 1 2 383.489 -0.397 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000430790189 1072215389 /nfs/dbraw/zinc/21/53/89/1072215389.db2.gz FCCKVHNXLRGADL-HZPDHXFCSA-N 1 2 383.489 -0.397 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000430790190 1072214827 /nfs/dbraw/zinc/21/48/27/1072214827.db2.gz FCCKVHNXLRGADL-JKSUJKDBSA-N 1 2 383.489 -0.397 20 0 GBADLO COc1ccc([C@H](CNC(=O)CN2CC[NH2+]CC2=O)N2CCOCC2)cc1 ZINC000430820608 1072215377 /nfs/dbraw/zinc/21/53/77/1072215377.db2.gz FZUCZDVXAMNBAX-KRWDZBQOSA-N 1 2 376.457 -0.384 20 0 GBADLO COc1ccc([C@@H](CNC(=O)CN2CC[NH2+]CC2=O)N2CCOCC2)cc1 ZINC000430820611 1072215122 /nfs/dbraw/zinc/21/51/22/1072215122.db2.gz FZUCZDVXAMNBAX-QGZVFWFLSA-N 1 2 376.457 -0.384 20 0 GBADLO CC(C)(C(N)=O)N1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000430822991 1072216029 /nfs/dbraw/zinc/21/60/29/1072216029.db2.gz RRKAIPVYTJSNSN-HNNXBMFYSA-N 1 2 389.456 -0.254 20 0 GBADLO CC(C)(C(N)=O)N1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000430822992 1072216264 /nfs/dbraw/zinc/21/62/64/1072216264.db2.gz RRKAIPVYTJSNSN-OAHLLOKOSA-N 1 2 389.456 -0.254 20 0 GBADLO O=C(CN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1)Nc1ccccc1Cl ZINC000430823844 1072216172 /nfs/dbraw/zinc/21/61/72/1072216172.db2.gz OXRROZCHFPEDNS-UHFFFAOYSA-N 1 2 393.875 -0.146 20 0 GBADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430832414 1072215890 /nfs/dbraw/zinc/21/58/90/1072215890.db2.gz YWJDFXWFMPQMAY-UHFFFAOYSA-N 1 2 387.484 -0.237 20 0 GBADLO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430848197 1072217062 /nfs/dbraw/zinc/21/70/62/1072217062.db2.gz AJLYDRGWLFTJLD-UHFFFAOYSA-N 1 2 387.484 -0.182 20 0 GBADLO Cc1cccc(NC(=O)CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)c1C ZINC000430853781 1072217438 /nfs/dbraw/zinc/21/74/38/1072217438.db2.gz XXANEMRSLXSAHM-UHFFFAOYSA-N 1 2 387.484 -0.182 20 0 GBADLO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)CN1CC[NH2+]CC1=O ZINC000430875887 530377632 /nfs/dbraw/zinc/37/76/32/530377632.db2.gz BFQWLHBXARXQBA-UHFFFAOYSA-N 1 2 384.234 -0.327 20 0 GBADLO CC1CCC(NC(=O)CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)CC1 ZINC000430885147 1072219780 /nfs/dbraw/zinc/21/97/80/1072219780.db2.gz ZVCSSZSYIFZOLS-UHFFFAOYSA-N 1 2 379.505 -0.743 20 0 GBADLO CN(C(=O)CN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1)C1CCCCC1 ZINC000430891492 1072220753 /nfs/dbraw/zinc/22/07/53/1072220753.db2.gz UMALQWNIXUXGHZ-UHFFFAOYSA-N 1 2 379.505 -0.647 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000430893067 1072220454 /nfs/dbraw/zinc/22/04/54/1072220454.db2.gz COICKBJVMUJTNV-UHFFFAOYSA-N 1 2 386.456 -0.490 20 0 GBADLO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000430897454 1072220921 /nfs/dbraw/zinc/22/09/21/1072220921.db2.gz BMWCUINIVJVDTO-CVEARBPZSA-N 1 2 379.505 -0.743 20 0 GBADLO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000430897455 1072220533 /nfs/dbraw/zinc/22/05/33/1072220533.db2.gz BMWCUINIVJVDTO-HOTGVXAUSA-N 1 2 379.505 -0.743 20 0 GBADLO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000430897456 1072220447 /nfs/dbraw/zinc/22/04/47/1072220447.db2.gz BMWCUINIVJVDTO-HZPDHXFCSA-N 1 2 379.505 -0.743 20 0 GBADLO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000430897457 1072220461 /nfs/dbraw/zinc/22/04/61/1072220461.db2.gz BMWCUINIVJVDTO-JKSUJKDBSA-N 1 2 379.505 -0.743 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000430913016 1072220479 /nfs/dbraw/zinc/22/04/79/1072220479.db2.gz QKHKFGQVWMSPEY-UHFFFAOYSA-N 1 2 393.875 -0.463 20 0 GBADLO O=C(CN1CCN2C(=O)NC[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000430913751 1072221779 /nfs/dbraw/zinc/22/17/79/1072221779.db2.gz XVIWXWCMHZLQGB-GOSISDBHSA-N 1 2 387.484 -0.156 20 0 GBADLO O=C(CN1CCN2C(=O)NC[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000430913752 1072221824 /nfs/dbraw/zinc/22/18/24/1072221824.db2.gz XVIWXWCMHZLQGB-SFHVURJKSA-N 1 2 387.484 -0.156 20 0 GBADLO COc1nc(N2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)ncc1Br ZINC000430934140 530377717 /nfs/dbraw/zinc/37/77/17/530377717.db2.gz NTQVNWKDHUEIQR-MRVPVSSYSA-N 1 2 387.238 -0.047 20 0 GBADLO COc1nc(N2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)ncc1Br ZINC000430934144 530377409 /nfs/dbraw/zinc/37/74/09/530377409.db2.gz NTQVNWKDHUEIQR-QMMMGPOBSA-N 1 2 387.238 -0.047 20 0 GBADLO CO[C@H](C)c1noc(CN2CCCN(C(=O)CN3CC[NH2+]CC3=O)CC2)n1 ZINC000431017712 1072233058 /nfs/dbraw/zinc/23/30/58/1072233058.db2.gz RMPSNCWVXQORCE-CYBMUJFWSA-N 1 2 380.449 -0.757 20 0 GBADLO CO[C@@H](C)c1noc(CN2CCCN(C(=O)CN3CC[NH2+]CC3=O)CC2)n1 ZINC000431017713 1072233011 /nfs/dbraw/zinc/23/30/11/1072233011.db2.gz RMPSNCWVXQORCE-ZDUSSCGKSA-N 1 2 380.449 -0.757 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCc1ccccc1OCCN1CCOCC1 ZINC000431036637 1072235108 /nfs/dbraw/zinc/23/51/08/1072235108.db2.gz GOHYLSAULFSUNG-UHFFFAOYSA-N 1 2 376.457 -0.554 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000431061168 1072236105 /nfs/dbraw/zinc/23/61/05/1072236105.db2.gz VFHLDAPSDIJLBU-UHFFFAOYSA-N 1 2 389.456 -0.881 20 0 GBADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000431077541 530377745 /nfs/dbraw/zinc/37/77/45/530377745.db2.gz OZSDJHIXDIVCBW-GFCCVEGCSA-N 1 2 391.412 -0.879 20 0 GBADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000431077542 530377916 /nfs/dbraw/zinc/37/79/16/530377916.db2.gz OZSDJHIXDIVCBW-LBPRGKRZSA-N 1 2 391.412 -0.879 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000431130475 530377774 /nfs/dbraw/zinc/37/77/74/530377774.db2.gz VMYAGYGXMXFHBV-HNNXBMFYSA-N 1 2 397.563 -0.358 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000431130479 530377869 /nfs/dbraw/zinc/37/78/69/530377869.db2.gz VMYAGYGXMXFHBV-OAHLLOKOSA-N 1 2 397.563 -0.358 20 0 GBADLO O=C(CN1CC[C@@H](Oc2cc[nH+]cc2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000431134411 1072240164 /nfs/dbraw/zinc/24/01/64/1072240164.db2.gz CPSWFFNKAITWRH-GXTWGEPZSA-N 1 2 382.442 -0.452 20 0 GBADLO O=C(CN1CC[C@H](Oc2cc[nH+]cc2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000431134412 1072239928 /nfs/dbraw/zinc/23/99/28/1072239928.db2.gz CPSWFFNKAITWRH-JSGCOSHPSA-N 1 2 382.442 -0.452 20 0 GBADLO O=C(CN1CC[C@H](Oc2cc[nH+]cc2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000431134413 1072241109 /nfs/dbraw/zinc/24/11/09/1072241109.db2.gz CPSWFFNKAITWRH-OCCSQVGLSA-N 1 2 382.442 -0.452 20 0 GBADLO O=C(CN1CC[C@@H](Oc2cc[nH+]cc2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000431134414 1072240930 /nfs/dbraw/zinc/24/09/30/1072240930.db2.gz CPSWFFNKAITWRH-TZMCWYRMSA-N 1 2 382.442 -0.452 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000431142363 530378060 /nfs/dbraw/zinc/37/80/60/530378060.db2.gz FBSHPTIGXRAJDM-HNNXBMFYSA-N 1 2 380.507 -0.473 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000431142364 530378009 /nfs/dbraw/zinc/37/80/09/530378009.db2.gz FBSHPTIGXRAJDM-OAHLLOKOSA-N 1 2 380.507 -0.473 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000431156867 1072242597 /nfs/dbraw/zinc/24/25/97/1072242597.db2.gz PDHOCJSLIHLRRT-UHFFFAOYSA-N 1 2 390.506 -0.309 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431194792 1072250126 /nfs/dbraw/zinc/25/01/26/1072250126.db2.gz VEDOTTCQPNJSQL-HNNXBMFYSA-N 1 2 380.489 -0.127 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431194793 1072249840 /nfs/dbraw/zinc/24/98/40/1072249840.db2.gz VEDOTTCQPNJSQL-OAHLLOKOSA-N 1 2 380.489 -0.127 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000431220202 1072253325 /nfs/dbraw/zinc/25/33/25/1072253325.db2.gz GWEWWEKEBFSNLK-AWEZNQCLSA-N 1 2 380.489 -0.127 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000431220202 1072253319 /nfs/dbraw/zinc/25/33/19/1072253319.db2.gz GWEWWEKEBFSNLK-AWEZNQCLSA-N 1 2 380.489 -0.127 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000431220204 1072253370 /nfs/dbraw/zinc/25/33/70/1072253370.db2.gz GWEWWEKEBFSNLK-CQSZACIVSA-N 1 2 380.489 -0.127 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000431220204 1072253364 /nfs/dbraw/zinc/25/33/64/1072253364.db2.gz GWEWWEKEBFSNLK-CQSZACIVSA-N 1 2 380.489 -0.127 20 0 GBADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000431235350 1072254168 /nfs/dbraw/zinc/25/41/68/1072254168.db2.gz JPZVQDPVGBKIRY-CVEARBPZSA-N 1 2 392.500 -0.127 20 0 GBADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000431235350 1072254157 /nfs/dbraw/zinc/25/41/57/1072254157.db2.gz JPZVQDPVGBKIRY-CVEARBPZSA-N 1 2 392.500 -0.127 20 0 GBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000431235351 1072254037 /nfs/dbraw/zinc/25/40/37/1072254037.db2.gz JPZVQDPVGBKIRY-HOTGVXAUSA-N 1 2 392.500 -0.127 20 0 GBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000431235351 1072254034 /nfs/dbraw/zinc/25/40/34/1072254034.db2.gz JPZVQDPVGBKIRY-HOTGVXAUSA-N 1 2 392.500 -0.127 20 0 GBADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000431235352 1072254223 /nfs/dbraw/zinc/25/42/23/1072254223.db2.gz JPZVQDPVGBKIRY-HZPDHXFCSA-N 1 2 392.500 -0.127 20 0 GBADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000431235352 1072254213 /nfs/dbraw/zinc/25/42/13/1072254213.db2.gz JPZVQDPVGBKIRY-HZPDHXFCSA-N 1 2 392.500 -0.127 20 0 GBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000431235353 1072254365 /nfs/dbraw/zinc/25/43/65/1072254365.db2.gz JPZVQDPVGBKIRY-JKSUJKDBSA-N 1 2 392.500 -0.127 20 0 GBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000431235353 1072254362 /nfs/dbraw/zinc/25/43/62/1072254362.db2.gz JPZVQDPVGBKIRY-JKSUJKDBSA-N 1 2 392.500 -0.127 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)[C@@H](C)C1 ZINC000431242118 1072254900 /nfs/dbraw/zinc/25/49/00/1072254900.db2.gz JWJWQTJNPPUFKF-KBPBESRZSA-N 1 2 394.472 -0.600 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)[C@@H](C)C1 ZINC000431242118 1072254891 /nfs/dbraw/zinc/25/48/91/1072254891.db2.gz JWJWQTJNPPUFKF-KBPBESRZSA-N 1 2 394.472 -0.600 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)[C@H](C)C1 ZINC000431242119 1072255270 /nfs/dbraw/zinc/25/52/70/1072255270.db2.gz JWJWQTJNPPUFKF-KGLIPLIRSA-N 1 2 394.472 -0.600 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)[C@H](C)C1 ZINC000431242119 1072255263 /nfs/dbraw/zinc/25/52/63/1072255263.db2.gz JWJWQTJNPPUFKF-KGLIPLIRSA-N 1 2 394.472 -0.600 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@@H](C)C1 ZINC000431242120 1072255057 /nfs/dbraw/zinc/25/50/57/1072255057.db2.gz JWJWQTJNPPUFKF-UONOGXRCSA-N 1 2 394.472 -0.600 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@@H](C)C1 ZINC000431242120 1072255051 /nfs/dbraw/zinc/25/50/51/1072255051.db2.gz JWJWQTJNPPUFKF-UONOGXRCSA-N 1 2 394.472 -0.600 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@H](C)C1 ZINC000431242121 1072254797 /nfs/dbraw/zinc/25/47/97/1072254797.db2.gz JWJWQTJNPPUFKF-ZIAGYGMSSA-N 1 2 394.472 -0.600 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@H](C)C1 ZINC000431242121 1072254791 /nfs/dbraw/zinc/25/47/91/1072254791.db2.gz JWJWQTJNPPUFKF-ZIAGYGMSSA-N 1 2 394.472 -0.600 20 0 GBADLO COC[C@@H]1NC(=O)N([C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000431324749 1072299854 /nfs/dbraw/zinc/29/98/54/1072299854.db2.gz XYGNVSWQLZUYAM-KBPBESRZSA-N 1 2 390.444 -0.151 20 0 GBADLO COC[C@@H]1NC(=O)N([C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000431324749 1072299848 /nfs/dbraw/zinc/29/98/48/1072299848.db2.gz XYGNVSWQLZUYAM-KBPBESRZSA-N 1 2 390.444 -0.151 20 0 GBADLO COC[C@@H]1NC(=O)N([C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000431324750 1072299832 /nfs/dbraw/zinc/29/98/32/1072299832.db2.gz XYGNVSWQLZUYAM-KGLIPLIRSA-N 1 2 390.444 -0.151 20 0 GBADLO COC[C@@H]1NC(=O)N([C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000431324750 1072299827 /nfs/dbraw/zinc/29/98/27/1072299827.db2.gz XYGNVSWQLZUYAM-KGLIPLIRSA-N 1 2 390.444 -0.151 20 0 GBADLO COC[C@H]1NC(=O)N([C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000431324751 1072299948 /nfs/dbraw/zinc/29/99/48/1072299948.db2.gz XYGNVSWQLZUYAM-UONOGXRCSA-N 1 2 390.444 -0.151 20 0 GBADLO COC[C@H]1NC(=O)N([C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000431324751 1072299938 /nfs/dbraw/zinc/29/99/38/1072299938.db2.gz XYGNVSWQLZUYAM-UONOGXRCSA-N 1 2 390.444 -0.151 20 0 GBADLO COC[C@H]1NC(=O)N([C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000431324752 1072299544 /nfs/dbraw/zinc/29/95/44/1072299544.db2.gz XYGNVSWQLZUYAM-ZIAGYGMSSA-N 1 2 390.444 -0.151 20 0 GBADLO COC[C@H]1NC(=O)N([C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000431324752 1072299530 /nfs/dbraw/zinc/29/95/30/1072299530.db2.gz XYGNVSWQLZUYAM-ZIAGYGMSSA-N 1 2 390.444 -0.151 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000431383831 530377976 /nfs/dbraw/zinc/37/79/76/530377976.db2.gz GADOIPUVVKIHNY-UHFFFAOYSA-N 1 2 378.495 -0.988 20 0 GBADLO O=C(C(=O)N1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1)N1CCOCC1 ZINC000431624474 1072644266 /nfs/dbraw/zinc/64/42/66/1072644266.db2.gz LJELJRFOOMWOPQ-CYBMUJFWSA-N 1 2 375.429 -0.641 20 0 GBADLO O=C(C(=O)N1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1)N1CCOCC1 ZINC000431624480 1072644586 /nfs/dbraw/zinc/64/45/86/1072644586.db2.gz LJELJRFOOMWOPQ-ZDUSSCGKSA-N 1 2 375.429 -0.641 20 0 GBADLO CCN1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000431638018 530378347 /nfs/dbraw/zinc/37/83/47/530378347.db2.gz FJVMINJYIWDBON-GFCCVEGCSA-N 1 2 377.492 -0.937 20 0 GBADLO CCN1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000431638019 530378471 /nfs/dbraw/zinc/37/84/71/530378471.db2.gz FJVMINJYIWDBON-LBPRGKRZSA-N 1 2 377.492 -0.937 20 0 GBADLO CCN1CCN(S(=O)(=O)N(CCOC)CCOC)C[C@H]1c1[nH]cc[nH+]1 ZINC000431656333 530378498 /nfs/dbraw/zinc/37/84/98/530378498.db2.gz XNJRMORVRUXNRE-AWEZNQCLSA-N 1 2 375.495 -0.072 20 0 GBADLO CCN1CCN(S(=O)(=O)N(CCOC)CCOC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000431656334 530378184 /nfs/dbraw/zinc/37/81/84/530378184.db2.gz XNJRMORVRUXNRE-CQSZACIVSA-N 1 2 375.495 -0.072 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000431723574 1072898673 /nfs/dbraw/zinc/89/86/73/1072898673.db2.gz PRHPUZKVDWZNCX-GXTWGEPZSA-N 1 2 378.429 -0.227 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000431723575 1072898387 /nfs/dbraw/zinc/89/83/87/1072898387.db2.gz PRHPUZKVDWZNCX-JSGCOSHPSA-N 1 2 378.429 -0.227 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H](CO)OC[C@H]1C ZINC000431723576 1072898454 /nfs/dbraw/zinc/89/84/54/1072898454.db2.gz PRHPUZKVDWZNCX-OCCSQVGLSA-N 1 2 378.429 -0.227 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H](CO)OC[C@H]1C ZINC000431723577 1072898839 /nfs/dbraw/zinc/89/88/39/1072898839.db2.gz PRHPUZKVDWZNCX-TZMCWYRMSA-N 1 2 378.429 -0.227 20 0 GBADLO NC(=O)c1ccccc1NCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431726958 1072900367 /nfs/dbraw/zinc/90/03/67/1072900367.db2.gz RVVGKMACXNCWSI-UHFFFAOYSA-N 1 2 383.456 -0.074 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000431730039 1072901462 /nfs/dbraw/zinc/90/14/62/1072901462.db2.gz FRJCUVMZTTYGMP-BXUZGUMPSA-N 1 2 391.428 -0.734 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000431730040 1072901356 /nfs/dbraw/zinc/90/13/56/1072901356.db2.gz FRJCUVMZTTYGMP-RISCZKNCSA-N 1 2 391.428 -0.734 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000431730786 1072901967 /nfs/dbraw/zinc/90/19/67/1072901967.db2.gz WVVBYHXEBGMGPT-AWEZNQCLSA-N 1 2 375.429 -0.098 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000431730787 1072902275 /nfs/dbraw/zinc/90/22/75/1072902275.db2.gz WVVBYHXEBGMGPT-CQSZACIVSA-N 1 2 375.429 -0.098 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000431748250 1072910763 /nfs/dbraw/zinc/91/07/63/1072910763.db2.gz FNXZGOJESDPWBX-CYBMUJFWSA-N 1 2 388.428 -0.599 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000431748251 1072910328 /nfs/dbraw/zinc/91/03/28/1072910328.db2.gz FNXZGOJESDPWBX-ZDUSSCGKSA-N 1 2 388.428 -0.599 20 0 GBADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](C)S(C)(=O)=O ZINC000431775218 530378719 /nfs/dbraw/zinc/37/87/19/530378719.db2.gz VXVNTKJIIVTFJN-BFHYXJOUSA-N 1 2 375.491 -0.895 20 0 GBADLO C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](C)S(C)(=O)=O ZINC000431775219 530378749 /nfs/dbraw/zinc/37/87/49/530378749.db2.gz VXVNTKJIIVTFJN-IHRRRGAJSA-N 1 2 375.491 -0.895 20 0 GBADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](C)S(C)(=O)=O ZINC000431775220 530378694 /nfs/dbraw/zinc/37/86/94/530378694.db2.gz VXVNTKJIIVTFJN-MELADBBJSA-N 1 2 375.491 -0.895 20 0 GBADLO C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](C)S(C)(=O)=O ZINC000431775221 530378674 /nfs/dbraw/zinc/37/86/74/530378674.db2.gz VXVNTKJIIVTFJN-MJBXVCDLSA-N 1 2 375.491 -0.895 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCNC(=O)C1CC1 ZINC000431828833 1072994478 /nfs/dbraw/zinc/99/44/78/1072994478.db2.gz TWUBZLPUWJSSBZ-UHFFFAOYSA-N 1 2 375.429 -0.192 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCN1CCOCC1 ZINC000431839508 1073145894 /nfs/dbraw/zinc/14/58/94/1073145894.db2.gz DAEVKDLCIOPZKP-UHFFFAOYSA-N 1 2 377.445 -0.386 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000431865308 1073263018 /nfs/dbraw/zinc/26/30/18/1073263018.db2.gz PBFOAHJXTWBPHC-DUVNUKRYSA-N 1 2 388.428 -0.128 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000431865308 1073263009 /nfs/dbraw/zinc/26/30/09/1073263009.db2.gz PBFOAHJXTWBPHC-DUVNUKRYSA-N 1 2 388.428 -0.128 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000431865309 1073263106 /nfs/dbraw/zinc/26/31/06/1073263106.db2.gz PBFOAHJXTWBPHC-INWMFGNUSA-N 1 2 388.428 -0.128 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000431865309 1073263100 /nfs/dbraw/zinc/26/31/00/1073263100.db2.gz PBFOAHJXTWBPHC-INWMFGNUSA-N 1 2 388.428 -0.128 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000431865310 1073262841 /nfs/dbraw/zinc/26/28/41/1073262841.db2.gz PBFOAHJXTWBPHC-IVMMDQJWSA-N 1 2 388.428 -0.128 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000431865310 1073262836 /nfs/dbraw/zinc/26/28/36/1073262836.db2.gz PBFOAHJXTWBPHC-IVMMDQJWSA-N 1 2 388.428 -0.128 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000431865311 1073263138 /nfs/dbraw/zinc/26/31/38/1073263138.db2.gz PBFOAHJXTWBPHC-NOLJZWGESA-N 1 2 388.428 -0.128 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C ZINC000431865311 1073263134 /nfs/dbraw/zinc/26/31/34/1073263134.db2.gz PBFOAHJXTWBPHC-NOLJZWGESA-N 1 2 388.428 -0.128 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC(=O)N1CCCC1 ZINC000431869433 1073267595 /nfs/dbraw/zinc/26/75/95/1073267595.db2.gz FQHWWVDHVAKNDF-UHFFFAOYSA-N 1 2 375.429 -0.096 20 0 GBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cncnc1 ZINC000431920328 1073296174 /nfs/dbraw/zinc/29/61/74/1073296174.db2.gz FZYRSJARPABUNR-AWEZNQCLSA-N 1 2 382.490 -0.784 20 0 GBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cncnc1 ZINC000431920332 1073296074 /nfs/dbraw/zinc/29/60/74/1073296074.db2.gz FZYRSJARPABUNR-CQSZACIVSA-N 1 2 382.490 -0.784 20 0 GBADLO Cc1cc(=O)[nH]c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000431951099 1073309418 /nfs/dbraw/zinc/30/94/18/1073309418.db2.gz MXGOFHCMPDPGKJ-UHFFFAOYSA-N 1 2 383.474 -0.654 20 0 GBADLO CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000431952056 1073310210 /nfs/dbraw/zinc/31/02/10/1073310210.db2.gz DVDFFNYRQQNTCW-UHFFFAOYSA-N 1 2 375.429 -0.144 20 0 GBADLO CCn1cc(CN(CCO)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000432151435 1073366311 /nfs/dbraw/zinc/36/63/11/1073366311.db2.gz GJTTWMJZMNSGEY-UHFFFAOYSA-N 1 2 391.476 0.458 20 0 GBADLO COC(=O)Cn1ncc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1C ZINC000432156454 1073367512 /nfs/dbraw/zinc/36/75/12/1073367512.db2.gz VRJNUOQHUQBUQZ-UHFFFAOYSA-N 1 2 391.432 0.537 20 0 GBADLO CCn1nccc1CN(CCO)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000432156557 1073367280 /nfs/dbraw/zinc/36/72/80/1073367280.db2.gz PCQVAUZCKOAKTF-UHFFFAOYSA-N 1 2 391.476 0.458 20 0 GBADLO NC(=O)c1csc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000432318413 1073583196 /nfs/dbraw/zinc/58/31/96/1073583196.db2.gz RQXLYCKHEUZMOO-UHFFFAOYSA-N 1 2 396.498 0.201 20 0 GBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC(C1CC1)C1CC1 ZINC000432346419 1073608656 /nfs/dbraw/zinc/60/86/56/1073608656.db2.gz JKGPUGIXMHRNQT-UHFFFAOYSA-N 1 2 392.456 -0.196 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC(=O)NCC(F)F)ccn2)CC1 ZINC000432367505 1073615719 /nfs/dbraw/zinc/61/57/19/1073615719.db2.gz LGBBGJZUSOLWEK-UHFFFAOYSA-N 1 2 384.387 -0.028 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000432386751 1073623327 /nfs/dbraw/zinc/62/33/27/1073623327.db2.gz MMPMSLZERKTFSV-HNNXBMFYSA-N 1 2 392.522 -0.599 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000432386751 1073623317 /nfs/dbraw/zinc/62/33/17/1073623317.db2.gz MMPMSLZERKTFSV-HNNXBMFYSA-N 1 2 392.522 -0.599 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000432386752 1073623365 /nfs/dbraw/zinc/62/33/65/1073623365.db2.gz MMPMSLZERKTFSV-OAHLLOKOSA-N 1 2 392.522 -0.599 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000432386752 1073623358 /nfs/dbraw/zinc/62/33/58/1073623358.db2.gz MMPMSLZERKTFSV-OAHLLOKOSA-N 1 2 392.522 -0.599 20 0 GBADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(S(N)(=O)=O)CC1)CC2 ZINC000432487830 1073648491 /nfs/dbraw/zinc/64/84/91/1073648491.db2.gz HNDRUDIJFHDMGM-UHFFFAOYSA-N 1 2 398.485 -0.590 20 0 GBADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(S(N)(=O)=O)CC1)CC2 ZINC000432487830 1073648488 /nfs/dbraw/zinc/64/84/88/1073648488.db2.gz HNDRUDIJFHDMGM-UHFFFAOYSA-N 1 2 398.485 -0.590 20 0 GBADLO Cc1nccc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000432492390 1073649593 /nfs/dbraw/zinc/64/95/93/1073649593.db2.gz YJMNXOPUPDEZGW-UHFFFAOYSA-N 1 2 396.517 -0.646 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000432556077 1073674785 /nfs/dbraw/zinc/67/47/85/1073674785.db2.gz WUWRJDRHJKVRNT-HNNXBMFYSA-N 1 2 392.522 -0.599 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000432556078 1073674730 /nfs/dbraw/zinc/67/47/30/1073674730.db2.gz WUWRJDRHJKVRNT-OAHLLOKOSA-N 1 2 392.522 -0.599 20 0 GBADLO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000432677436 1073699247 /nfs/dbraw/zinc/69/92/47/1073699247.db2.gz DGYUHUHSOMHNAH-AWEZNQCLSA-N 1 2 387.506 0.118 20 0 GBADLO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000432677438 1073699282 /nfs/dbraw/zinc/69/92/82/1073699282.db2.gz DGYUHUHSOMHNAH-CQSZACIVSA-N 1 2 387.506 0.118 20 0 GBADLO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000432715766 1073711366 /nfs/dbraw/zinc/71/13/66/1073711366.db2.gz HTHDMMUOKLQIBI-AWEZNQCLSA-N 1 2 398.533 -0.321 20 0 GBADLO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000432715767 1073711857 /nfs/dbraw/zinc/71/18/57/1073711857.db2.gz HTHDMMUOKLQIBI-CQSZACIVSA-N 1 2 398.533 -0.321 20 0 GBADLO CCOC(=O)c1csc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)n1 ZINC000432776324 530380004 /nfs/dbraw/zinc/38/00/04/530380004.db2.gz MYGVAUZKCRCBNE-CHWSQXEVSA-N 1 2 389.499 -0.093 20 0 GBADLO CCOC(=O)c1csc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)n1 ZINC000432776325 530379913 /nfs/dbraw/zinc/37/99/13/530379913.db2.gz MYGVAUZKCRCBNE-OLZOCXBDSA-N 1 2 389.499 -0.093 20 0 GBADLO CCOC(=O)c1csc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)n1 ZINC000432776326 530379992 /nfs/dbraw/zinc/37/99/92/530379992.db2.gz MYGVAUZKCRCBNE-QWHCGFSZSA-N 1 2 389.499 -0.093 20 0 GBADLO CCOC(=O)c1csc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)n1 ZINC000432776327 530379824 /nfs/dbraw/zinc/37/98/24/530379824.db2.gz MYGVAUZKCRCBNE-STQMWFEESA-N 1 2 389.499 -0.093 20 0 GBADLO CCOC1CC(O)(CNc2nc(C)[nH+]c(NCC3(O)CC(OCC)C3)n2)C1 ZINC000432820790 1073768711 /nfs/dbraw/zinc/76/87/11/1073768711.db2.gz JTWUHVVYYJCEQX-UHFFFAOYSA-N 1 2 381.477 -0.292 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000432821851 530379855 /nfs/dbraw/zinc/37/98/55/530379855.db2.gz LQIKJOZZYXNGJX-GFCCVEGCSA-N 1 2 378.413 -0.090 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000432821853 530379989 /nfs/dbraw/zinc/37/99/89/530379989.db2.gz LQIKJOZZYXNGJX-LBPRGKRZSA-N 1 2 378.413 -0.090 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000432858542 1073801911 /nfs/dbraw/zinc/80/19/11/1073801911.db2.gz JFGJJTPKGGXTLU-UHFFFAOYSA-N 1 2 379.446 -0.664 20 0 GBADLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COCC(F)(F)F ZINC000432932948 530379947 /nfs/dbraw/zinc/37/99/47/530379947.db2.gz RPPUNTSNMHXYKE-GHMZBOCLSA-N 1 2 376.397 -0.449 20 0 GBADLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COCC(F)(F)F ZINC000432932948 530379945 /nfs/dbraw/zinc/37/99/45/530379945.db2.gz RPPUNTSNMHXYKE-GHMZBOCLSA-N 1 2 376.397 -0.449 20 0 GBADLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COCC(F)(F)F ZINC000432932949 530380015 /nfs/dbraw/zinc/38/00/15/530380015.db2.gz RPPUNTSNMHXYKE-MNOVXSKESA-N 1 2 376.397 -0.449 20 0 GBADLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COCC(F)(F)F ZINC000432932949 530380013 /nfs/dbraw/zinc/38/00/13/530380013.db2.gz RPPUNTSNMHXYKE-MNOVXSKESA-N 1 2 376.397 -0.449 20 0 GBADLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H](O)COCC(F)(F)F ZINC000432932950 530379966 /nfs/dbraw/zinc/37/99/66/530379966.db2.gz RPPUNTSNMHXYKE-QWRGUYRKSA-N 1 2 376.397 -0.449 20 0 GBADLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H](O)COCC(F)(F)F ZINC000432932950 530379965 /nfs/dbraw/zinc/37/99/65/530379965.db2.gz RPPUNTSNMHXYKE-QWRGUYRKSA-N 1 2 376.397 -0.449 20 0 GBADLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COCC(F)(F)F ZINC000432932951 530380000 /nfs/dbraw/zinc/38/00/00/530380000.db2.gz RPPUNTSNMHXYKE-WDEREUQCSA-N 1 2 376.397 -0.449 20 0 GBADLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COCC(F)(F)F ZINC000432932951 530379999 /nfs/dbraw/zinc/37/99/99/530379999.db2.gz RPPUNTSNMHXYKE-WDEREUQCSA-N 1 2 376.397 -0.449 20 0 GBADLO CC[NH+](CC)CCN(C(=O)N1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000432944789 530379984 /nfs/dbraw/zinc/37/99/84/530379984.db2.gz UZCXYOGFWQVWJV-AWEZNQCLSA-N 1 2 395.547 -0.332 20 0 GBADLO CC[NH+](CC)CCN(C(=O)N1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000432944792 530379853 /nfs/dbraw/zinc/37/98/53/530379853.db2.gz UZCXYOGFWQVWJV-CQSZACIVSA-N 1 2 395.547 -0.332 20 0 GBADLO C[C@@H](NC(=O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1)C(=O)N(C)C ZINC000433051157 1073868826 /nfs/dbraw/zinc/86/88/26/1073868826.db2.gz FOISJIRSANBZFY-GFCCVEGCSA-N 1 2 386.474 -0.763 20 0 GBADLO C[C@@H](NC(=O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1)C(=O)N(C)C ZINC000433051157 1073868817 /nfs/dbraw/zinc/86/88/17/1073868817.db2.gz FOISJIRSANBZFY-GFCCVEGCSA-N 1 2 386.474 -0.763 20 0 GBADLO C[C@H](NC(=O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1)C(=O)N(C)C ZINC000433051158 1073870684 /nfs/dbraw/zinc/87/06/84/1073870684.db2.gz FOISJIRSANBZFY-LBPRGKRZSA-N 1 2 386.474 -0.763 20 0 GBADLO C[C@H](NC(=O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1)C(=O)N(C)C ZINC000433051158 1073870677 /nfs/dbraw/zinc/87/06/77/1073870677.db2.gz FOISJIRSANBZFY-LBPRGKRZSA-N 1 2 386.474 -0.763 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@H](CO)COC(C)C ZINC000433144830 1073885403 /nfs/dbraw/zinc/88/54/03/1073885403.db2.gz DMADXNKNNQTXKS-GFCCVEGCSA-N 1 2 389.474 -0.001 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@H](CO)COC(C)C ZINC000433144830 1073885391 /nfs/dbraw/zinc/88/53/91/1073885391.db2.gz DMADXNKNNQTXKS-GFCCVEGCSA-N 1 2 389.474 -0.001 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000433144831 1073884703 /nfs/dbraw/zinc/88/47/03/1073884703.db2.gz DMADXNKNNQTXKS-LBPRGKRZSA-N 1 2 389.474 -0.001 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@@H](CO)COC(C)C ZINC000433144831 1073884692 /nfs/dbraw/zinc/88/46/92/1073884692.db2.gz DMADXNKNNQTXKS-LBPRGKRZSA-N 1 2 389.474 -0.001 20 0 GBADLO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000433147813 1073884283 /nfs/dbraw/zinc/88/42/83/1073884283.db2.gz DRQJEGLVMBITGC-AWEZNQCLSA-N 1 2 385.486 -0.059 20 0 GBADLO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000433147813 1073884272 /nfs/dbraw/zinc/88/42/72/1073884272.db2.gz DRQJEGLVMBITGC-AWEZNQCLSA-N 1 2 385.486 -0.059 20 0 GBADLO CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000433147816 1073884115 /nfs/dbraw/zinc/88/41/15/1073884115.db2.gz DRQJEGLVMBITGC-CQSZACIVSA-N 1 2 385.486 -0.059 20 0 GBADLO CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000433147816 1073884099 /nfs/dbraw/zinc/88/40/99/1073884099.db2.gz DRQJEGLVMBITGC-CQSZACIVSA-N 1 2 385.486 -0.059 20 0 GBADLO COCCN(C(=O)C[N@@H+](CCO)[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000433191723 530380459 /nfs/dbraw/zinc/38/04/59/530380459.db2.gz HVHLJZVJROZRHN-CABCVRRESA-N 1 2 394.559 -0.162 20 0 GBADLO COCCN(C(=O)C[N@H+](CCO)[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000433191723 530380456 /nfs/dbraw/zinc/38/04/56/530380456.db2.gz HVHLJZVJROZRHN-CABCVRRESA-N 1 2 394.559 -0.162 20 0 GBADLO COCCN(C(=O)C[N@@H+](CCO)[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000433191724 530380317 /nfs/dbraw/zinc/38/03/17/530380317.db2.gz HVHLJZVJROZRHN-GJZGRUSLSA-N 1 2 394.559 -0.162 20 0 GBADLO COCCN(C(=O)C[N@H+](CCO)[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000433191724 530380316 /nfs/dbraw/zinc/38/03/16/530380316.db2.gz HVHLJZVJROZRHN-GJZGRUSLSA-N 1 2 394.559 -0.162 20 0 GBADLO COCCN(C(=O)C[N@@H+](CCO)[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000433191725 530380546 /nfs/dbraw/zinc/38/05/46/530380546.db2.gz HVHLJZVJROZRHN-HUUCEWRRSA-N 1 2 394.559 -0.162 20 0 GBADLO COCCN(C(=O)C[N@H+](CCO)[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000433191725 530380545 /nfs/dbraw/zinc/38/05/45/530380545.db2.gz HVHLJZVJROZRHN-HUUCEWRRSA-N 1 2 394.559 -0.162 20 0 GBADLO COCCN(C(=O)C[N@@H+](CCO)[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000433191726 530380438 /nfs/dbraw/zinc/38/04/38/530380438.db2.gz HVHLJZVJROZRHN-LSDHHAIUSA-N 1 2 394.559 -0.162 20 0 GBADLO COCCN(C(=O)C[N@H+](CCO)[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000433191726 530380436 /nfs/dbraw/zinc/38/04/36/530380436.db2.gz HVHLJZVJROZRHN-LSDHHAIUSA-N 1 2 394.559 -0.162 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000433263725 1073899028 /nfs/dbraw/zinc/89/90/28/1073899028.db2.gz WGGALHFMWYVINV-UHFFFAOYSA-N 1 2 394.457 -0.123 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000433352179 530380298 /nfs/dbraw/zinc/38/02/98/530380298.db2.gz LSVRTTLSNFPHNU-UHFFFAOYSA-N 1 2 385.552 -0.360 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000433352179 530380297 /nfs/dbraw/zinc/38/02/97/530380297.db2.gz LSVRTTLSNFPHNU-UHFFFAOYSA-N 1 2 385.552 -0.360 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000433360544 530380506 /nfs/dbraw/zinc/38/05/06/530380506.db2.gz KOWYIZTUBHBZES-OKILXGFUSA-N 1 2 385.552 -0.361 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000433360544 530380505 /nfs/dbraw/zinc/38/05/05/530380505.db2.gz KOWYIZTUBHBZES-OKILXGFUSA-N 1 2 385.552 -0.361 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)[C@H](C)C1 ZINC000433374374 1073909654 /nfs/dbraw/zinc/90/96/54/1073909654.db2.gz VAVLTIWKCIHKLG-CHWSQXEVSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)[C@H](C)C1 ZINC000433374374 1073909648 /nfs/dbraw/zinc/90/96/48/1073909648.db2.gz VAVLTIWKCIHKLG-CHWSQXEVSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)[C@H](C)C1 ZINC000433374376 1073909061 /nfs/dbraw/zinc/90/90/61/1073909061.db2.gz VAVLTIWKCIHKLG-OLZOCXBDSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)[C@H](C)C1 ZINC000433374376 1073909056 /nfs/dbraw/zinc/90/90/56/1073909056.db2.gz VAVLTIWKCIHKLG-OLZOCXBDSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)[C@@H](C)C1 ZINC000433374378 1073909076 /nfs/dbraw/zinc/90/90/76/1073909076.db2.gz VAVLTIWKCIHKLG-QWHCGFSZSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)[C@@H](C)C1 ZINC000433374378 1073909071 /nfs/dbraw/zinc/90/90/71/1073909071.db2.gz VAVLTIWKCIHKLG-QWHCGFSZSA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)[C@@H](C)C1 ZINC000433374380 1073909283 /nfs/dbraw/zinc/90/92/83/1073909283.db2.gz VAVLTIWKCIHKLG-STQMWFEESA-N 1 2 380.474 -0.047 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)[C@@H](C)C1 ZINC000433374380 1073909278 /nfs/dbraw/zinc/90/92/78/1073909278.db2.gz VAVLTIWKCIHKLG-STQMWFEESA-N 1 2 380.474 -0.047 20 0 GBADLO O=C1c2ccccc2C(=O)N1C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000433457130 1073923943 /nfs/dbraw/zinc/92/39/43/1073923943.db2.gz ZCXYBGDDXSQMMP-CVEARBPZSA-N 1 2 389.452 -0.324 20 0 GBADLO O=C1c2ccccc2C(=O)N1C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000433457131 1073923741 /nfs/dbraw/zinc/92/37/41/1073923741.db2.gz ZCXYBGDDXSQMMP-HOTGVXAUSA-N 1 2 389.452 -0.324 20 0 GBADLO O=C1c2ccccc2C(=O)N1C[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000433457132 1073923800 /nfs/dbraw/zinc/92/38/00/1073923800.db2.gz ZCXYBGDDXSQMMP-HZPDHXFCSA-N 1 2 389.452 -0.324 20 0 GBADLO O=C1c2ccccc2C(=O)N1C[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000433457133 1073924010 /nfs/dbraw/zinc/92/40/10/1073924010.db2.gz ZCXYBGDDXSQMMP-JKSUJKDBSA-N 1 2 389.452 -0.324 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2nc(CS(C)(=O)=O)no2)C[C@H](C)O1 ZINC000433552404 530380787 /nfs/dbraw/zinc/38/07/87/530380787.db2.gz CWPVHTCDQOEKFU-PHIMTYICSA-N 1 2 375.451 -0.391 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2nc(CS(C)(=O)=O)no2)C[C@H](C)O1 ZINC000433552404 530380786 /nfs/dbraw/zinc/38/07/86/530380786.db2.gz CWPVHTCDQOEKFU-PHIMTYICSA-N 1 2 375.451 -0.391 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000433552548 530380705 /nfs/dbraw/zinc/38/07/05/530380705.db2.gz FMHOTXWIBHOPIE-UHFFFAOYSA-N 1 2 375.451 -0.389 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000433552548 530380703 /nfs/dbraw/zinc/38/07/03/530380703.db2.gz FMHOTXWIBHOPIE-UHFFFAOYSA-N 1 2 375.451 -0.389 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCC1(N2CCOCC2)CC1 ZINC000433572003 1073953697 /nfs/dbraw/zinc/95/36/97/1073953697.db2.gz RRQDVNHVLBSPKN-UHFFFAOYSA-N 1 2 389.504 -0.237 20 0 GBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(c3[nH+]cnc(N)c3Cl)CC2)o1 ZINC000433603183 530380986 /nfs/dbraw/zinc/38/09/86/530380986.db2.gz KDKPOVALQCNLEV-UHFFFAOYSA-N 1 2 386.821 -0.085 20 0 GBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc[nH+]c(N)c3Cl)CC2)o1 ZINC000433603183 530380985 /nfs/dbraw/zinc/38/09/85/530380985.db2.gz KDKPOVALQCNLEV-UHFFFAOYSA-N 1 2 386.821 -0.085 20 0 GBADLO O=S(=O)(N1CCOCC1)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000433619544 1073954831 /nfs/dbraw/zinc/95/48/31/1073954831.db2.gz WMDZCLTZTXGXFJ-UHFFFAOYSA-N 1 2 382.490 -0.224 20 0 GBADLO O=S(=O)(N1CCOCC1)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000433619544 1073954827 /nfs/dbraw/zinc/95/48/27/1073954827.db2.gz WMDZCLTZTXGXFJ-UHFFFAOYSA-N 1 2 382.490 -0.224 20 0 GBADLO CC(C)OC[C@H](CO)N(C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000433681762 1073960009 /nfs/dbraw/zinc/96/00/09/1073960009.db2.gz FOCOYFBJUVDRCU-INIZCTEOSA-N 1 2 397.476 -0.602 20 0 GBADLO CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000433681766 1073959958 /nfs/dbraw/zinc/95/99/58/1073959958.db2.gz FOCOYFBJUVDRCU-MRXNPFEDSA-N 1 2 397.476 -0.602 20 0 GBADLO COC(=O)C(C)(C)N1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000433762220 1073965106 /nfs/dbraw/zinc/96/51/06/1073965106.db2.gz LZNVXWLQFDJTHP-UHFFFAOYSA-N 1 2 376.461 -0.171 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCCS(=O)(=O)CC3)nc2)CC1 ZINC000433764148 530380728 /nfs/dbraw/zinc/38/07/28/530380728.db2.gz CDRFPIMMASRBGW-UHFFFAOYSA-N 1 2 388.515 -0.357 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(S(=O)(=O)NCC2CC2)cn1 ZINC000433784624 1073967107 /nfs/dbraw/zinc/96/71/07/1073967107.db2.gz XAKGIXIFMUJCLE-HNNXBMFYSA-N 1 2 384.502 -0.101 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(S(=O)(=O)NCC2CC2)cn1 ZINC000433784625 1073966842 /nfs/dbraw/zinc/96/68/42/1073966842.db2.gz XAKGIXIFMUJCLE-OAHLLOKOSA-N 1 2 384.502 -0.101 20 0 GBADLO O=C(CCCCCC(=O)N1CC[NH+](CCO)CC1)N1CCN(CCO)CC1 ZINC000433836633 1073970903 /nfs/dbraw/zinc/97/09/03/1073970903.db2.gz AFAKCAPGVPRGPB-UHFFFAOYSA-N 1 2 384.521 -0.790 20 0 GBADLO C[C@H](O)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433948005 1073978080 /nfs/dbraw/zinc/97/80/80/1073978080.db2.gz IMGOUKROUKFRJI-HNNXBMFYSA-N 1 2 399.517 -0.006 20 0 GBADLO C[C@@H](O)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433948006 1073977999 /nfs/dbraw/zinc/97/79/99/1073977999.db2.gz IMGOUKROUKFRJI-OAHLLOKOSA-N 1 2 399.517 -0.006 20 0 GBADLO COCCCS(=O)(=O)NCC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433954563 1073979212 /nfs/dbraw/zinc/97/92/12/1073979212.db2.gz UZQYARLJRMLZHQ-UHFFFAOYSA-N 1 2 398.485 -0.576 20 0 GBADLO COCCCS(=O)(=O)NCC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433954563 1073979206 /nfs/dbraw/zinc/97/92/06/1073979206.db2.gz UZQYARLJRMLZHQ-UHFFFAOYSA-N 1 2 398.485 -0.576 20 0 GBADLO Cn1ncc2c1ncn(CC(=O)Nc1ccc3c(c1)C[N@H+](CC(N)=O)CC3)c2=O ZINC000433966390 1073978778 /nfs/dbraw/zinc/97/87/78/1073978778.db2.gz HNMHXTAOKWSIIN-UHFFFAOYSA-N 1 2 395.423 -0.388 20 0 GBADLO Cn1ncc2c1ncn(CC(=O)Nc1ccc3c(c1)C[N@@H+](CC(N)=O)CC3)c2=O ZINC000433966390 1073978761 /nfs/dbraw/zinc/97/87/61/1073978761.db2.gz HNMHXTAOKWSIIN-UHFFFAOYSA-N 1 2 395.423 -0.388 20 0 GBADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc(S(N)(=O)=O)nc3)cc2C1 ZINC000433974794 1073979073 /nfs/dbraw/zinc/97/90/73/1073979073.db2.gz QBRMJUSHMJABNC-UHFFFAOYSA-N 1 2 389.437 -0.175 20 0 GBADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc(S(N)(=O)=O)nc3)cc2C1 ZINC000433974794 1073979066 /nfs/dbraw/zinc/97/90/66/1073979066.db2.gz QBRMJUSHMJABNC-UHFFFAOYSA-N 1 2 389.437 -0.175 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000433999376 1073979727 /nfs/dbraw/zinc/97/97/27/1073979727.db2.gz NIMKOXVZXIPYMT-KRWDZBQOSA-N 1 2 393.488 -0.247 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000433999377 1073979683 /nfs/dbraw/zinc/97/96/83/1073979683.db2.gz NIMKOXVZXIPYMT-QGZVFWFLSA-N 1 2 393.488 -0.247 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000434074420 1073982637 /nfs/dbraw/zinc/98/26/37/1073982637.db2.gz DFRHKXQMESNNID-CQSZACIVSA-N 1 2 375.433 0.034 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000434101405 530380651 /nfs/dbraw/zinc/38/06/51/530380651.db2.gz GQZZYKKWYUFLCC-AWEZNQCLSA-N 1 2 385.552 -0.408 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000434101406 530380672 /nfs/dbraw/zinc/38/06/72/530380672.db2.gz GQZZYKKWYUFLCC-CQSZACIVSA-N 1 2 385.552 -0.408 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434110110 530381187 /nfs/dbraw/zinc/38/11/87/530381187.db2.gz XFFVHZAZCAYPJH-BETUJISGSA-N 1 2 385.552 -0.267 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434110110 530381186 /nfs/dbraw/zinc/38/11/86/530381186.db2.gz XFFVHZAZCAYPJH-BETUJISGSA-N 1 2 385.552 -0.267 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000434110111 530381144 /nfs/dbraw/zinc/38/11/44/530381144.db2.gz XFFVHZAZCAYPJH-CHWSQXEVSA-N 1 2 385.552 -0.267 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000434110112 530381137 /nfs/dbraw/zinc/38/11/37/530381137.db2.gz XFFVHZAZCAYPJH-STQMWFEESA-N 1 2 385.552 -0.267 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000434138420 530381219 /nfs/dbraw/zinc/38/12/19/530381219.db2.gz XHFLGFUMLNTHRP-AWEZNQCLSA-N 1 2 384.568 -0.883 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000434138421 530381380 /nfs/dbraw/zinc/38/13/80/530381380.db2.gz XHFLGFUMLNTHRP-CQSZACIVSA-N 1 2 384.568 -0.883 20 0 GBADLO O=C(NCC1(N2CCOCC2)CC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000434157408 1072337448 /nfs/dbraw/zinc/33/74/48/1072337448.db2.gz NECOIPGDHGVZTP-UHFFFAOYSA-N 1 2 378.477 0.202 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000434268185 1072616791 /nfs/dbraw/zinc/61/67/91/1072616791.db2.gz WDYJZWLKQHLBCN-KRWDZBQOSA-N 1 2 391.520 -0.039 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000434268331 1072616890 /nfs/dbraw/zinc/61/68/90/1072616890.db2.gz WDYJZWLKQHLBCN-QGZVFWFLSA-N 1 2 391.520 -0.039 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000434291592 1072618143 /nfs/dbraw/zinc/61/81/43/1072618143.db2.gz DZFSCQJNRHVDTI-CYBMUJFWSA-N 1 2 389.478 -0.544 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000434291593 1072618242 /nfs/dbraw/zinc/61/82/42/1072618242.db2.gz DZFSCQJNRHVDTI-ZDUSSCGKSA-N 1 2 389.478 -0.544 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000434295369 1072618187 /nfs/dbraw/zinc/61/81/87/1072618187.db2.gz LEAPYSPIIVKDRG-AWEZNQCLSA-N 1 2 385.490 -0.278 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000434295370 1072617737 /nfs/dbraw/zinc/61/77/37/1072617737.db2.gz LEAPYSPIIVKDRG-CQSZACIVSA-N 1 2 385.490 -0.278 20 0 GBADLO CNS(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(C)o1 ZINC000434312538 530381148 /nfs/dbraw/zinc/38/11/48/530381148.db2.gz NGAPDGVMZDGKRY-HNNXBMFYSA-N 1 2 375.447 -0.691 20 0 GBADLO CNS(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(C)o1 ZINC000434312539 530381296 /nfs/dbraw/zinc/38/12/96/530381296.db2.gz NGAPDGVMZDGKRY-OAHLLOKOSA-N 1 2 375.447 -0.691 20 0 GBADLO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000434323975 530381179 /nfs/dbraw/zinc/38/11/79/530381179.db2.gz CDELXJFWVXNWLH-AWEZNQCLSA-N 1 2 377.488 -0.483 20 0 GBADLO Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000434323976 530381247 /nfs/dbraw/zinc/38/12/47/530381247.db2.gz CDELXJFWVXNWLH-CQSZACIVSA-N 1 2 377.488 -0.483 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000434424260 1072623132 /nfs/dbraw/zinc/62/31/32/1072623132.db2.gz IOSXLPVQTFESCO-CYBMUJFWSA-N 1 2 399.473 -0.756 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000434424260 1072623126 /nfs/dbraw/zinc/62/31/26/1072623126.db2.gz IOSXLPVQTFESCO-CYBMUJFWSA-N 1 2 399.473 -0.756 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000434424264 1072623082 /nfs/dbraw/zinc/62/30/82/1072623082.db2.gz IOSXLPVQTFESCO-ZDUSSCGKSA-N 1 2 399.473 -0.756 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000434424264 1072623070 /nfs/dbraw/zinc/62/30/70/1072623070.db2.gz IOSXLPVQTFESCO-ZDUSSCGKSA-N 1 2 399.473 -0.756 20 0 GBADLO Cn1nc(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1OC(F)F ZINC000434474603 1072625923 /nfs/dbraw/zinc/62/59/23/1072625923.db2.gz PVJZEVBNSKSULG-SECBINFHSA-N 1 2 376.364 -0.329 20 0 GBADLO Cn1nc(NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1OC(F)F ZINC000434474603 1072625917 /nfs/dbraw/zinc/62/59/17/1072625917.db2.gz PVJZEVBNSKSULG-SECBINFHSA-N 1 2 376.364 -0.329 20 0 GBADLO Cn1nc(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1OC(F)F ZINC000434474604 1072626005 /nfs/dbraw/zinc/62/60/05/1072626005.db2.gz PVJZEVBNSKSULG-VIFPVBQESA-N 1 2 376.364 -0.329 20 0 GBADLO Cn1nc(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1OC(F)F ZINC000434474604 1072626000 /nfs/dbraw/zinc/62/60/00/1072626000.db2.gz PVJZEVBNSKSULG-VIFPVBQESA-N 1 2 376.364 -0.329 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000434476740 1072625666 /nfs/dbraw/zinc/62/56/66/1072625666.db2.gz ABZSDAWICDUFHM-INIZCTEOSA-N 1 2 399.513 -0.185 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000434476741 1072625805 /nfs/dbraw/zinc/62/58/05/1072625805.db2.gz ABZSDAWICDUFHM-MRXNPFEDSA-N 1 2 399.513 -0.185 20 0 GBADLO C[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434477419 1072625548 /nfs/dbraw/zinc/62/55/48/1072625548.db2.gz BDEJAIJBRRJQPQ-CVEARBPZSA-N 1 2 379.457 -0.278 20 0 GBADLO C[C@H](NC(=O)COc1ccccc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434477420 1072625986 /nfs/dbraw/zinc/62/59/86/1072625986.db2.gz BDEJAIJBRRJQPQ-HOTGVXAUSA-N 1 2 379.457 -0.278 20 0 GBADLO C[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434477421 1072625763 /nfs/dbraw/zinc/62/57/63/1072625763.db2.gz BDEJAIJBRRJQPQ-HZPDHXFCSA-N 1 2 379.457 -0.278 20 0 GBADLO C[C@H](NC(=O)COc1ccccc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434477422 1072625845 /nfs/dbraw/zinc/62/58/45/1072625845.db2.gz BDEJAIJBRRJQPQ-JKSUJKDBSA-N 1 2 379.457 -0.278 20 0 GBADLO COc1cccc(C[C@H](NC(C)=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000434478854 1072625610 /nfs/dbraw/zinc/62/56/10/1072625610.db2.gz WSHREBPCNHJWAV-HKUYNNGSSA-N 1 2 393.484 -0.106 20 0 GBADLO COc1cccc(C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000434478855 1072625928 /nfs/dbraw/zinc/62/59/28/1072625928.db2.gz WSHREBPCNHJWAV-IEBWSBKVSA-N 1 2 393.484 -0.106 20 0 GBADLO COc1cccc(C[C@H](NC(C)=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000434478856 1072625651 /nfs/dbraw/zinc/62/56/51/1072625651.db2.gz WSHREBPCNHJWAV-MJGOQNOKSA-N 1 2 393.484 -0.106 20 0 GBADLO COc1cccc(C[C@@H](NC(C)=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000434478857 1072625724 /nfs/dbraw/zinc/62/57/24/1072625724.db2.gz WSHREBPCNHJWAV-PKOBYXMFSA-N 1 2 393.484 -0.106 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000434479140 1072625823 /nfs/dbraw/zinc/62/58/23/1072625823.db2.gz JGYLGSFVOURYEQ-INIZCTEOSA-N 1 2 390.440 -0.497 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000434479141 1072625738 /nfs/dbraw/zinc/62/57/38/1072625738.db2.gz JGYLGSFVOURYEQ-MRXNPFEDSA-N 1 2 390.440 -0.497 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434479337 1072625708 /nfs/dbraw/zinc/62/57/08/1072625708.db2.gz KAQDIAVQPRQDGA-CVEARBPZSA-N 1 2 391.534 -0.268 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434479338 1072625754 /nfs/dbraw/zinc/62/57/54/1072625754.db2.gz KAQDIAVQPRQDGA-HOTGVXAUSA-N 1 2 391.534 -0.268 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434479339 1072625780 /nfs/dbraw/zinc/62/57/80/1072625780.db2.gz KAQDIAVQPRQDGA-HZPDHXFCSA-N 1 2 391.534 -0.268 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434479340 1072625934 /nfs/dbraw/zinc/62/59/34/1072625934.db2.gz KAQDIAVQPRQDGA-JKSUJKDBSA-N 1 2 391.534 -0.268 20 0 GBADLO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434480055 1072625970 /nfs/dbraw/zinc/62/59/70/1072625970.db2.gz LYJLWFFVOICZCN-DOTOQJQBSA-N 1 2 378.473 -0.013 20 0 GBADLO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434480056 1072625793 /nfs/dbraw/zinc/62/57/93/1072625793.db2.gz LYJLWFFVOICZCN-NVXWUHKLSA-N 1 2 378.473 -0.013 20 0 GBADLO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434480057 1072625900 /nfs/dbraw/zinc/62/59/00/1072625900.db2.gz LYJLWFFVOICZCN-RDJZCZTQSA-N 1 2 378.473 -0.013 20 0 GBADLO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434480058 1072627071 /nfs/dbraw/zinc/62/70/71/1072627071.db2.gz LYJLWFFVOICZCN-WBVHZDCISA-N 1 2 378.473 -0.013 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000434482126 1072626763 /nfs/dbraw/zinc/62/67/63/1072626763.db2.gz GPWALYHPJUNQIC-CYBMUJFWSA-N 1 2 381.433 -0.183 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000434482129 1072627087 /nfs/dbraw/zinc/62/70/87/1072627087.db2.gz GPWALYHPJUNQIC-ZDUSSCGKSA-N 1 2 381.433 -0.183 20 0 GBADLO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000434482699 1072626658 /nfs/dbraw/zinc/62/66/58/1072626658.db2.gz STCSVGCEEBVYOW-CYBMUJFWSA-N 1 2 388.490 -0.534 20 0 GBADLO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000434482705 1072627054 /nfs/dbraw/zinc/62/70/54/1072627054.db2.gz STCSVGCEEBVYOW-ZDUSSCGKSA-N 1 2 388.490 -0.534 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CSc1nnnn1CC(F)(F)F ZINC000434482821 1072626685 /nfs/dbraw/zinc/62/66/85/1072626685.db2.gz KQJUSXZEDQPGNP-JTQLQIEISA-N 1 2 398.411 -0.521 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CSc1nnnn1CC(F)(F)F ZINC000434482823 1072626637 /nfs/dbraw/zinc/62/66/37/1072626637.db2.gz KQJUSXZEDQPGNP-SNVBAGLBSA-N 1 2 398.411 -0.521 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(CC(=O)N2CCOCC2)CCCC1 ZINC000434484864 1072627083 /nfs/dbraw/zinc/62/70/83/1072627083.db2.gz RJVRESAULNCRDI-KRWDZBQOSA-N 1 2 397.516 -0.053 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(CC(=O)N2CCOCC2)CCCC1 ZINC000434484866 1072627101 /nfs/dbraw/zinc/62/71/01/1072627101.db2.gz RJVRESAULNCRDI-QGZVFWFLSA-N 1 2 397.516 -0.053 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434485700 530381515 /nfs/dbraw/zinc/38/15/15/530381515.db2.gz VZGSBHDXHLDLCZ-KBPBESRZSA-N 1 2 397.563 -0.801 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434485701 530381817 /nfs/dbraw/zinc/38/18/17/530381817.db2.gz VZGSBHDXHLDLCZ-KGLIPLIRSA-N 1 2 397.563 -0.801 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434485702 530381834 /nfs/dbraw/zinc/38/18/34/530381834.db2.gz VZGSBHDXHLDLCZ-UONOGXRCSA-N 1 2 397.563 -0.801 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434485704 530381706 /nfs/dbraw/zinc/38/17/06/530381706.db2.gz VZGSBHDXHLDLCZ-ZIAGYGMSSA-N 1 2 397.563 -0.801 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000434487728 1072627075 /nfs/dbraw/zinc/62/70/75/1072627075.db2.gz XXKNKDSQAXZXLF-INIZCTEOSA-N 1 2 382.436 -0.224 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000434487729 1072626891 /nfs/dbraw/zinc/62/68/91/1072626891.db2.gz XXKNKDSQAXZXLF-MRXNPFEDSA-N 1 2 382.436 -0.224 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434509389 1072627818 /nfs/dbraw/zinc/62/78/18/1072627818.db2.gz RFVVVSRWJQVXAV-UHFFFAOYSA-N 1 2 385.490 -0.050 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434509389 1072627813 /nfs/dbraw/zinc/62/78/13/1072627813.db2.gz RFVVVSRWJQVXAV-UHFFFAOYSA-N 1 2 385.490 -0.050 20 0 GBADLO CSC1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000434551320 530381789 /nfs/dbraw/zinc/38/17/89/530381789.db2.gz DHMYABLHQDZLNT-UHFFFAOYSA-N 1 2 391.563 -0.299 20 0 GBADLO CCOCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000434631197 530381545 /nfs/dbraw/zinc/38/15/45/530381545.db2.gz PDCDVKMNMNVAFD-GFCCVEGCSA-N 1 2 375.447 -0.528 20 0 GBADLO CCOCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000434631198 530381602 /nfs/dbraw/zinc/38/16/02/530381602.db2.gz PDCDVKMNMNVAFD-LBPRGKRZSA-N 1 2 375.447 -0.528 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)c2cnccc2NC(=O)C(C)(C)C)CCO1 ZINC000434651180 1072636075 /nfs/dbraw/zinc/63/60/75/1072636075.db2.gz BLPAHWVJWMXNJM-CYBMUJFWSA-N 1 2 391.472 -0.254 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)c2cnccc2NC(=O)C(C)(C)C)CCO1 ZINC000434651180 1072636069 /nfs/dbraw/zinc/63/60/69/1072636069.db2.gz BLPAHWVJWMXNJM-CYBMUJFWSA-N 1 2 391.472 -0.254 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)c2cnccc2NC(=O)C(C)(C)C)CCO1 ZINC000434651181 1072636566 /nfs/dbraw/zinc/63/65/66/1072636566.db2.gz BLPAHWVJWMXNJM-ZDUSSCGKSA-N 1 2 391.472 -0.254 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)c2cnccc2NC(=O)C(C)(C)C)CCO1 ZINC000434651181 1072636564 /nfs/dbraw/zinc/63/65/64/1072636564.db2.gz BLPAHWVJWMXNJM-ZDUSSCGKSA-N 1 2 391.472 -0.254 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000434651492 1072636410 /nfs/dbraw/zinc/63/64/10/1072636410.db2.gz BGZCMMXBJCCATQ-KRWDZBQOSA-N 1 2 388.468 -0.450 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000434651492 1072636403 /nfs/dbraw/zinc/63/64/03/1072636403.db2.gz BGZCMMXBJCCATQ-KRWDZBQOSA-N 1 2 388.468 -0.450 20 0 GBADLO CCC(=O)N[C@@H](C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000434651501 1072636036 /nfs/dbraw/zinc/63/60/36/1072636036.db2.gz WXPIMSJIAMRPRD-CRAIPNDOSA-N 1 2 376.457 -0.102 20 0 GBADLO CCC(=O)N[C@@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000434651501 1072636028 /nfs/dbraw/zinc/63/60/28/1072636028.db2.gz WXPIMSJIAMRPRD-CRAIPNDOSA-N 1 2 376.457 -0.102 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000434651525 1072636311 /nfs/dbraw/zinc/63/63/11/1072636311.db2.gz BGZCMMXBJCCATQ-QGZVFWFLSA-N 1 2 388.468 -0.450 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000434651525 1072636305 /nfs/dbraw/zinc/63/63/05/1072636305.db2.gz BGZCMMXBJCCATQ-QGZVFWFLSA-N 1 2 388.468 -0.450 20 0 GBADLO CCC(=O)N[C@@H](C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000434651651 1072636540 /nfs/dbraw/zinc/63/65/40/1072636540.db2.gz WXPIMSJIAMRPRD-MAUKXSAKSA-N 1 2 376.457 -0.102 20 0 GBADLO CCC(=O)N[C@@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000434651651 1072636536 /nfs/dbraw/zinc/63/65/36/1072636536.db2.gz WXPIMSJIAMRPRD-MAUKXSAKSA-N 1 2 376.457 -0.102 20 0 GBADLO CCC(=O)N[C@H](C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000434651652 1072636509 /nfs/dbraw/zinc/63/65/09/1072636509.db2.gz WXPIMSJIAMRPRD-QAPCUYQASA-N 1 2 376.457 -0.102 20 0 GBADLO CCC(=O)N[C@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000434651652 1072636506 /nfs/dbraw/zinc/63/65/06/1072636506.db2.gz WXPIMSJIAMRPRD-QAPCUYQASA-N 1 2 376.457 -0.102 20 0 GBADLO CCC(=O)N[C@H](C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000434651653 1072636224 /nfs/dbraw/zinc/63/62/24/1072636224.db2.gz WXPIMSJIAMRPRD-YJBOKZPZSA-N 1 2 376.457 -0.102 20 0 GBADLO CCC(=O)N[C@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)c1ccccc1 ZINC000434651653 1072636220 /nfs/dbraw/zinc/63/62/20/1072636220.db2.gz WXPIMSJIAMRPRD-YJBOKZPZSA-N 1 2 376.457 -0.102 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)CCO1 ZINC000434652370 1072636531 /nfs/dbraw/zinc/63/65/31/1072636531.db2.gz GPZFLZHVCFZUIS-AWEZNQCLSA-N 1 2 387.440 -0.569 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)CCO1 ZINC000434652370 1072636529 /nfs/dbraw/zinc/63/65/29/1072636529.db2.gz GPZFLZHVCFZUIS-AWEZNQCLSA-N 1 2 387.440 -0.569 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)CCO1 ZINC000434652373 1072636393 /nfs/dbraw/zinc/63/63/93/1072636393.db2.gz GPZFLZHVCFZUIS-CQSZACIVSA-N 1 2 387.440 -0.569 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)CCO1 ZINC000434652373 1072636382 /nfs/dbraw/zinc/63/63/82/1072636382.db2.gz GPZFLZHVCFZUIS-CQSZACIVSA-N 1 2 387.440 -0.569 20 0 GBADLO C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000434652735 1072636281 /nfs/dbraw/zinc/63/62/81/1072636281.db2.gz HTWVBSBVGCQHQX-GDBMZVCRSA-N 1 2 392.456 -0.785 20 0 GBADLO C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000434652735 1072636276 /nfs/dbraw/zinc/63/62/76/1072636276.db2.gz HTWVBSBVGCQHQX-GDBMZVCRSA-N 1 2 392.456 -0.785 20 0 GBADLO C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000434652740 1072636431 /nfs/dbraw/zinc/63/64/31/1072636431.db2.gz HTWVBSBVGCQHQX-GOEBONIOSA-N 1 2 392.456 -0.785 20 0 GBADLO C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000434652740 1072636424 /nfs/dbraw/zinc/63/64/24/1072636424.db2.gz HTWVBSBVGCQHQX-GOEBONIOSA-N 1 2 392.456 -0.785 20 0 GBADLO C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000434652741 1072635925 /nfs/dbraw/zinc/63/59/25/1072635925.db2.gz HTWVBSBVGCQHQX-HOCLYGCPSA-N 1 2 392.456 -0.785 20 0 GBADLO C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000434652741 1072635924 /nfs/dbraw/zinc/63/59/24/1072635924.db2.gz HTWVBSBVGCQHQX-HOCLYGCPSA-N 1 2 392.456 -0.785 20 0 GBADLO C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000434652744 1072636051 /nfs/dbraw/zinc/63/60/51/1072636051.db2.gz HTWVBSBVGCQHQX-ZBFHGGJFSA-N 1 2 392.456 -0.785 20 0 GBADLO C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000434652744 1072636047 /nfs/dbraw/zinc/63/60/47/1072636047.db2.gz HTWVBSBVGCQHQX-ZBFHGGJFSA-N 1 2 392.456 -0.785 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CCCC2)CCO1 ZINC000434653416 1072637538 /nfs/dbraw/zinc/63/75/38/1072637538.db2.gz LWCJOWQKONNVJO-CVEARBPZSA-N 1 2 380.489 -0.188 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CCCC2)CCO1 ZINC000434653416 1072637532 /nfs/dbraw/zinc/63/75/32/1072637532.db2.gz LWCJOWQKONNVJO-CVEARBPZSA-N 1 2 380.489 -0.188 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CCCC2)CCO1 ZINC000434653417 1072637344 /nfs/dbraw/zinc/63/73/44/1072637344.db2.gz LWCJOWQKONNVJO-HOTGVXAUSA-N 1 2 380.489 -0.188 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CCCC2)CCO1 ZINC000434653417 1072637342 /nfs/dbraw/zinc/63/73/42/1072637342.db2.gz LWCJOWQKONNVJO-HOTGVXAUSA-N 1 2 380.489 -0.188 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C2CCCC2)CCO1 ZINC000434653418 1072637266 /nfs/dbraw/zinc/63/72/66/1072637266.db2.gz LWCJOWQKONNVJO-HZPDHXFCSA-N 1 2 380.489 -0.188 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C2CCCC2)CCO1 ZINC000434653418 1072637263 /nfs/dbraw/zinc/63/72/63/1072637263.db2.gz LWCJOWQKONNVJO-HZPDHXFCSA-N 1 2 380.489 -0.188 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)C2CCCC2)CCO1 ZINC000434653419 1072637382 /nfs/dbraw/zinc/63/73/82/1072637382.db2.gz LWCJOWQKONNVJO-JKSUJKDBSA-N 1 2 380.489 -0.188 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)C2CCCC2)CCO1 ZINC000434653419 1072637378 /nfs/dbraw/zinc/63/73/78/1072637378.db2.gz LWCJOWQKONNVJO-JKSUJKDBSA-N 1 2 380.489 -0.188 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CCO1 ZINC000434653786 1072636560 /nfs/dbraw/zinc/63/65/60/1072636560.db2.gz MPTDPLPCYCWEMU-HNNXBMFYSA-N 1 2 376.457 -0.161 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CCO1 ZINC000434653786 1072636558 /nfs/dbraw/zinc/63/65/58/1072636558.db2.gz MPTDPLPCYCWEMU-HNNXBMFYSA-N 1 2 376.457 -0.161 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CCO1 ZINC000434653787 1072637320 /nfs/dbraw/zinc/63/73/20/1072637320.db2.gz MPTDPLPCYCWEMU-OAHLLOKOSA-N 1 2 376.457 -0.161 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CCO1 ZINC000434653787 1072637315 /nfs/dbraw/zinc/63/73/15/1072637315.db2.gz MPTDPLPCYCWEMU-OAHLLOKOSA-N 1 2 376.457 -0.161 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)c2cccc(CNc3ccncn3)c2)CCO1 ZINC000434654339 1072637106 /nfs/dbraw/zinc/63/71/06/1072637106.db2.gz PMYSXZQHPCEPCE-KRWDZBQOSA-N 1 2 398.467 0.347 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)c2cccc(CNc3ccncn3)c2)CCO1 ZINC000434654339 1072637102 /nfs/dbraw/zinc/63/71/02/1072637102.db2.gz PMYSXZQHPCEPCE-KRWDZBQOSA-N 1 2 398.467 0.347 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)c2cccc(CNc3ccncn3)c2)CCO1 ZINC000434654340 1072637714 /nfs/dbraw/zinc/63/77/14/1072637714.db2.gz PMYSXZQHPCEPCE-QGZVFWFLSA-N 1 2 398.467 0.347 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)c2cccc(CNc3ccncn3)c2)CCO1 ZINC000434654340 1072637707 /nfs/dbraw/zinc/63/77/07/1072637707.db2.gz PMYSXZQHPCEPCE-QGZVFWFLSA-N 1 2 398.467 0.347 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)[C@H]2CCCO2)CCO1 ZINC000434654799 1072637196 /nfs/dbraw/zinc/63/71/96/1072637196.db2.gz GJBCJINXSDPYOP-BZUAXINKSA-N 1 2 396.488 -0.809 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)[C@H]2CCCO2)CCO1 ZINC000434654799 1072637194 /nfs/dbraw/zinc/63/71/94/1072637194.db2.gz GJBCJINXSDPYOP-BZUAXINKSA-N 1 2 396.488 -0.809 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)CCO1 ZINC000434654800 1072637681 /nfs/dbraw/zinc/63/76/81/1072637681.db2.gz GJBCJINXSDPYOP-OAGGEKHMSA-N 1 2 396.488 -0.809 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)CCO1 ZINC000434654800 1072637679 /nfs/dbraw/zinc/63/76/79/1072637679.db2.gz GJBCJINXSDPYOP-OAGGEKHMSA-N 1 2 396.488 -0.809 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)CCO1 ZINC000434654801 1072637306 /nfs/dbraw/zinc/63/73/06/1072637306.db2.gz GJBCJINXSDPYOP-OWCLPIDISA-N 1 2 396.488 -0.809 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)CCO1 ZINC000434654801 1072637301 /nfs/dbraw/zinc/63/73/01/1072637301.db2.gz GJBCJINXSDPYOP-OWCLPIDISA-N 1 2 396.488 -0.809 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)CCO1 ZINC000434654802 1072637207 /nfs/dbraw/zinc/63/72/07/1072637207.db2.gz GJBCJINXSDPYOP-PMPSAXMXSA-N 1 2 396.488 -0.809 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)CCO1 ZINC000434654802 1072637205 /nfs/dbraw/zinc/63/72/05/1072637205.db2.gz GJBCJINXSDPYOP-PMPSAXMXSA-N 1 2 396.488 -0.809 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)CCn2c3ccccc3oc2=O)CCO1 ZINC000434656729 1072637574 /nfs/dbraw/zinc/63/75/74/1072637574.db2.gz YLARPFBCDWQDJX-CYBMUJFWSA-N 1 2 376.413 -0.371 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)CCn2c3ccccc3oc2=O)CCO1 ZINC000434656729 1072637570 /nfs/dbraw/zinc/63/75/70/1072637570.db2.gz YLARPFBCDWQDJX-CYBMUJFWSA-N 1 2 376.413 -0.371 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)CCn2c3ccccc3oc2=O)CCO1 ZINC000434656730 1072637455 /nfs/dbraw/zinc/63/74/55/1072637455.db2.gz YLARPFBCDWQDJX-ZDUSSCGKSA-N 1 2 376.413 -0.371 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)CCn2c3ccccc3oc2=O)CCO1 ZINC000434656730 1072637451 /nfs/dbraw/zinc/63/74/51/1072637451.db2.gz YLARPFBCDWQDJX-ZDUSSCGKSA-N 1 2 376.413 -0.371 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H](C)O1 ZINC000434691704 530381535 /nfs/dbraw/zinc/38/15/35/530381535.db2.gz AZAADDKILLKEAD-GASCZTMLSA-N 1 2 378.539 -0.575 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H](C)O1 ZINC000434691704 530381534 /nfs/dbraw/zinc/38/15/34/530381534.db2.gz AZAADDKILLKEAD-GASCZTMLSA-N 1 2 378.539 -0.575 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000434692455 1072638958 /nfs/dbraw/zinc/63/89/58/1072638958.db2.gz GMMFKWNKLCAMJG-CALCHBBNSA-N 1 2 383.537 -0.740 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000434692455 1072638951 /nfs/dbraw/zinc/63/89/51/1072638951.db2.gz GMMFKWNKLCAMJG-CALCHBBNSA-N 1 2 383.537 -0.740 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000434705739 1072639559 /nfs/dbraw/zinc/63/95/59/1072639559.db2.gz HEQNGBUGTQHANZ-UHFFFAOYSA-N 1 2 383.537 -0.739 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000434705739 1072639555 /nfs/dbraw/zinc/63/95/55/1072639555.db2.gz HEQNGBUGTQHANZ-UHFFFAOYSA-N 1 2 383.537 -0.739 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000434706204 530381675 /nfs/dbraw/zinc/38/16/75/530381675.db2.gz JCJWUBYKZLVTFU-UHFFFAOYSA-N 1 2 378.539 -0.573 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000434706204 530381673 /nfs/dbraw/zinc/38/16/73/530381673.db2.gz JCJWUBYKZLVTFU-UHFFFAOYSA-N 1 2 378.539 -0.573 20 0 GBADLO C[C@H](NC(=O)C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1)C(=O)N1CCCCC1 ZINC000434713792 1072640773 /nfs/dbraw/zinc/64/07/73/1072640773.db2.gz KKHRINVFWAFIQI-KBXCAEBGSA-N 1 2 394.516 -0.145 20 0 GBADLO C[C@@H](NC(=O)C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1)C(=O)N1CCCCC1 ZINC000434713793 1072640680 /nfs/dbraw/zinc/64/06/80/1072640680.db2.gz KKHRINVFWAFIQI-KDOFPFPSSA-N 1 2 394.516 -0.145 20 0 GBADLO C[C@H](NC(=O)C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1)C(=O)N1CCCCC1 ZINC000434713794 1072640757 /nfs/dbraw/zinc/64/07/57/1072640757.db2.gz KKHRINVFWAFIQI-KSSFIOAISA-N 1 2 394.516 -0.145 20 0 GBADLO C[C@@H](NC(=O)C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1)C(=O)N1CCCCC1 ZINC000434713795 1072640763 /nfs/dbraw/zinc/64/07/63/1072640763.db2.gz KKHRINVFWAFIQI-RDTXWAMCSA-N 1 2 394.516 -0.145 20 0 GBADLO CC(C)(CNC(=O)C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1)N1CCOCC1 ZINC000434717540 1072642174 /nfs/dbraw/zinc/64/21/74/1072642174.db2.gz ISXINIVDXPEXCW-GOSISDBHSA-N 1 2 396.532 -0.435 20 0 GBADLO CC(C)(CNC(=O)C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1)N1CCOCC1 ZINC000434717541 1072642753 /nfs/dbraw/zinc/64/27/53/1072642753.db2.gz ISXINIVDXPEXCW-SFHVURJKSA-N 1 2 396.532 -0.435 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)cn1 ZINC000434722966 1072641428 /nfs/dbraw/zinc/64/14/28/1072641428.db2.gz WHALYRAZXDWPLO-HNNXBMFYSA-N 1 2 385.490 -0.950 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)cn1 ZINC000434722967 1072641393 /nfs/dbraw/zinc/64/13/93/1072641393.db2.gz WHALYRAZXDWPLO-OAHLLOKOSA-N 1 2 385.490 -0.950 20 0 GBADLO O=C(C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1)NC(=O)NCc1ccco1 ZINC000434724081 1072641571 /nfs/dbraw/zinc/64/15/71/1072641571.db2.gz BVZXDVUPHLUVIZ-INIZCTEOSA-N 1 2 378.429 -0.043 20 0 GBADLO O=C(C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1)NC(=O)NCc1ccco1 ZINC000434724082 1072641550 /nfs/dbraw/zinc/64/15/50/1072641550.db2.gz BVZXDVUPHLUVIZ-MRXNPFEDSA-N 1 2 378.429 -0.043 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000434728470 1072641342 /nfs/dbraw/zinc/64/13/42/1072641342.db2.gz RXKNMMPJCSIQLO-GOSISDBHSA-N 1 2 382.505 -0.289 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000434728474 1072641710 /nfs/dbraw/zinc/64/17/10/1072641710.db2.gz RXKNMMPJCSIQLO-SFHVURJKSA-N 1 2 382.505 -0.289 20 0 GBADLO O=C(C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1)NC(=O)NCC(F)(F)F ZINC000434729022 1072641660 /nfs/dbraw/zinc/64/16/60/1072641660.db2.gz WTDOXNQIFPRZIG-GFCCVEGCSA-N 1 2 380.367 -0.274 20 0 GBADLO O=C(C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1)NC(=O)NCC(F)(F)F ZINC000434729023 1072641352 /nfs/dbraw/zinc/64/13/52/1072641352.db2.gz WTDOXNQIFPRZIG-LBPRGKRZSA-N 1 2 380.367 -0.274 20 0 GBADLO O=C(C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)NCCCN1CCCC1=O ZINC000434737939 1072643773 /nfs/dbraw/zinc/64/37/73/1072643773.db2.gz PNXMPBOHSJLZPM-HNNXBMFYSA-N 1 2 386.518 -0.385 20 0 GBADLO O=C(C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)NCCCN1CCCC1=O ZINC000434737939 1072643767 /nfs/dbraw/zinc/64/37/67/1072643767.db2.gz PNXMPBOHSJLZPM-HNNXBMFYSA-N 1 2 386.518 -0.385 20 0 GBADLO O=C(C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)NCCCN1CCCC1=O ZINC000434737943 1072643367 /nfs/dbraw/zinc/64/33/67/1072643367.db2.gz PNXMPBOHSJLZPM-OAHLLOKOSA-N 1 2 386.518 -0.385 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)NCCCN1CCCC1=O ZINC000434737943 1072643363 /nfs/dbraw/zinc/64/33/63/1072643363.db2.gz PNXMPBOHSJLZPM-OAHLLOKOSA-N 1 2 386.518 -0.385 20 0 GBADLO COc1ccc(CNC(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434786985 1072645264 /nfs/dbraw/zinc/64/52/64/1072645264.db2.gz UAMMGHMPHGIOJW-GOSISDBHSA-N 1 2 376.413 -0.006 20 0 GBADLO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434786985 1072645259 /nfs/dbraw/zinc/64/52/59/1072645259.db2.gz UAMMGHMPHGIOJW-GOSISDBHSA-N 1 2 376.413 -0.006 20 0 GBADLO COc1ccc(CNC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434786986 1072645469 /nfs/dbraw/zinc/64/54/69/1072645469.db2.gz UAMMGHMPHGIOJW-SFHVURJKSA-N 1 2 376.413 -0.006 20 0 GBADLO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000434786986 1072645461 /nfs/dbraw/zinc/64/54/61/1072645461.db2.gz UAMMGHMPHGIOJW-SFHVURJKSA-N 1 2 376.413 -0.006 20 0 GBADLO O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000434792920 1072645388 /nfs/dbraw/zinc/64/53/88/1072645388.db2.gz JEUMVFHGXGTDNP-FQEVSTJZSA-N 1 2 399.451 -0.131 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000434792920 1072645382 /nfs/dbraw/zinc/64/53/82/1072645382.db2.gz JEUMVFHGXGTDNP-FQEVSTJZSA-N 1 2 399.451 -0.131 20 0 GBADLO O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000434792921 1072645403 /nfs/dbraw/zinc/64/54/03/1072645403.db2.gz JEUMVFHGXGTDNP-HXUWFJFHSA-N 1 2 399.451 -0.131 20 0 GBADLO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000434792921 1072645400 /nfs/dbraw/zinc/64/54/00/1072645400.db2.gz JEUMVFHGXGTDNP-HXUWFJFHSA-N 1 2 399.451 -0.131 20 0 GBADLO NC(=O)CCN(C(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)c1ccc(F)cc1 ZINC000434798693 1072646311 /nfs/dbraw/zinc/64/63/11/1072646311.db2.gz KQGDBVBUABHXBP-GOSISDBHSA-N 1 2 391.403 -0.292 20 0 GBADLO NC(=O)CCN(C(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)c1ccc(F)cc1 ZINC000434798693 1072646303 /nfs/dbraw/zinc/64/63/03/1072646303.db2.gz KQGDBVBUABHXBP-GOSISDBHSA-N 1 2 391.403 -0.292 20 0 GBADLO NC(=O)CCN(C(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)c1ccc(F)cc1 ZINC000434798694 1072646756 /nfs/dbraw/zinc/64/67/56/1072646756.db2.gz KQGDBVBUABHXBP-SFHVURJKSA-N 1 2 391.403 -0.292 20 0 GBADLO NC(=O)CCN(C(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)c1ccc(F)cc1 ZINC000434798694 1072646744 /nfs/dbraw/zinc/64/67/44/1072646744.db2.gz KQGDBVBUABHXBP-SFHVURJKSA-N 1 2 391.403 -0.292 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCc2ccc(-n3cncn3)cc2)CCO1 ZINC000434833395 1072647491 /nfs/dbraw/zinc/64/74/91/1072647491.db2.gz KLYJANCHJCSYFC-INIZCTEOSA-N 1 2 387.444 -0.405 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCc2ccc(-n3cncn3)cc2)CCO1 ZINC000434833395 1072647486 /nfs/dbraw/zinc/64/74/86/1072647486.db2.gz KLYJANCHJCSYFC-INIZCTEOSA-N 1 2 387.444 -0.405 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2ccc(-n3cncn3)cc2)CCO1 ZINC000434833396 1072647679 /nfs/dbraw/zinc/64/76/79/1072647679.db2.gz KLYJANCHJCSYFC-MRXNPFEDSA-N 1 2 387.444 -0.405 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2ccc(-n3cncn3)cc2)CCO1 ZINC000434833396 1072647676 /nfs/dbraw/zinc/64/76/76/1072647676.db2.gz KLYJANCHJCSYFC-MRXNPFEDSA-N 1 2 387.444 -0.405 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)CCO1 ZINC000434881452 1072650690 /nfs/dbraw/zinc/65/06/90/1072650690.db2.gz VQDKAQPOAGYVBG-HNNXBMFYSA-N 1 2 383.493 -0.490 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)CCO1 ZINC000434881452 1072650676 /nfs/dbraw/zinc/65/06/76/1072650676.db2.gz VQDKAQPOAGYVBG-HNNXBMFYSA-N 1 2 383.493 -0.490 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)CCO1 ZINC000434881453 1072650788 /nfs/dbraw/zinc/65/07/88/1072650788.db2.gz VQDKAQPOAGYVBG-OAHLLOKOSA-N 1 2 383.493 -0.490 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)CCO1 ZINC000434881453 1072650785 /nfs/dbraw/zinc/65/07/85/1072650785.db2.gz VQDKAQPOAGYVBG-OAHLLOKOSA-N 1 2 383.493 -0.490 20 0 GBADLO CC(C)Oc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1C(N)=O ZINC000434972525 1072656209 /nfs/dbraw/zinc/65/62/09/1072656209.db2.gz HPUZURJWYWYQJY-UHFFFAOYSA-N 1 2 378.429 -0.352 20 0 GBADLO CN(CC(=O)NC[C@H]1COc2ccccc2O1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434976513 1072656537 /nfs/dbraw/zinc/65/65/37/1072656537.db2.gz CFSROZCHKBCVDD-CVEARBPZSA-N 1 2 379.457 -0.433 20 0 GBADLO CN(CC(=O)NC[C@H]1COc2ccccc2O1)C[C@H](O)C[NH+]1CCOCC1 ZINC000434976514 1072657130 /nfs/dbraw/zinc/65/71/30/1072657130.db2.gz CFSROZCHKBCVDD-HOTGVXAUSA-N 1 2 379.457 -0.433 20 0 GBADLO CN(CC(=O)NC[C@@H]1COc2ccccc2O1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434976515 1072656677 /nfs/dbraw/zinc/65/66/77/1072656677.db2.gz CFSROZCHKBCVDD-HZPDHXFCSA-N 1 2 379.457 -0.433 20 0 GBADLO CN(CC(=O)NC[C@@H]1COc2ccccc2O1)C[C@H](O)C[NH+]1CCOCC1 ZINC000434976516 1072657098 /nfs/dbraw/zinc/65/70/98/1072657098.db2.gz CFSROZCHKBCVDD-JKSUJKDBSA-N 1 2 379.457 -0.433 20 0 GBADLO CNC(=O)NC(=O)CC[N@@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000434977511 1072657162 /nfs/dbraw/zinc/65/71/62/1072657162.db2.gz QRUVUBLLKUCOLR-UHFFFAOYSA-N 1 2 377.405 -0.043 20 0 GBADLO CNC(=O)NC(=O)CC[N@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000434977511 1072657158 /nfs/dbraw/zinc/65/71/58/1072657158.db2.gz QRUVUBLLKUCOLR-UHFFFAOYSA-N 1 2 377.405 -0.043 20 0 GBADLO CC(C)N(C)C(=O)C1CCN(C(=O)CN(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000434977970 1072656773 /nfs/dbraw/zinc/65/67/73/1072656773.db2.gz KZCPLZJKESCLRD-GOSISDBHSA-N 1 2 398.548 -0.283 20 0 GBADLO CC(C)N(C)C(=O)C1CCN(C(=O)CN(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000434977974 1072656848 /nfs/dbraw/zinc/65/68/48/1072656848.db2.gz KZCPLZJKESCLRD-SFHVURJKSA-N 1 2 398.548 -0.283 20 0 GBADLO C[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)C[C@H](O)CN1CCOCC1 ZINC000434987093 1072656705 /nfs/dbraw/zinc/65/67/05/1072656705.db2.gz LCJXRMMRTVIPHH-AWEZNQCLSA-N 1 2 396.513 -0.173 20 0 GBADLO C[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)C[C@H](O)CN1CCOCC1 ZINC000434987093 1072656701 /nfs/dbraw/zinc/65/67/01/1072656701.db2.gz LCJXRMMRTVIPHH-AWEZNQCLSA-N 1 2 396.513 -0.173 20 0 GBADLO C[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)C[C@@H](O)CN1CCOCC1 ZINC000434987094 1072657017 /nfs/dbraw/zinc/65/70/17/1072657017.db2.gz LCJXRMMRTVIPHH-CQSZACIVSA-N 1 2 396.513 -0.173 20 0 GBADLO C[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)C[C@@H](O)CN1CCOCC1 ZINC000434987094 1072657011 /nfs/dbraw/zinc/65/70/11/1072657011.db2.gz LCJXRMMRTVIPHH-CQSZACIVSA-N 1 2 396.513 -0.173 20 0 GBADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434987666 1072657777 /nfs/dbraw/zinc/65/77/77/1072657777.db2.gz OMJDQXGJYYJNNB-MOPGFXCFSA-N 1 2 377.485 -0.072 20 0 GBADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434987666 1072657768 /nfs/dbraw/zinc/65/77/68/1072657768.db2.gz OMJDQXGJYYJNNB-MOPGFXCFSA-N 1 2 377.485 -0.072 20 0 GBADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434987667 1072658131 /nfs/dbraw/zinc/65/81/31/1072658131.db2.gz OMJDQXGJYYJNNB-OALUTQOASA-N 1 2 377.485 -0.072 20 0 GBADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434987667 1072658128 /nfs/dbraw/zinc/65/81/28/1072658128.db2.gz OMJDQXGJYYJNNB-OALUTQOASA-N 1 2 377.485 -0.072 20 0 GBADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434987668 1072658118 /nfs/dbraw/zinc/65/81/18/1072658118.db2.gz OMJDQXGJYYJNNB-RBUKOAKNSA-N 1 2 377.485 -0.072 20 0 GBADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434987668 1072658115 /nfs/dbraw/zinc/65/81/15/1072658115.db2.gz OMJDQXGJYYJNNB-RBUKOAKNSA-N 1 2 377.485 -0.072 20 0 GBADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434987669 1072658164 /nfs/dbraw/zinc/65/81/64/1072658164.db2.gz OMJDQXGJYYJNNB-RTBURBONSA-N 1 2 377.485 -0.072 20 0 GBADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434987669 1072658160 /nfs/dbraw/zinc/65/81/60/1072658160.db2.gz OMJDQXGJYYJNNB-RTBURBONSA-N 1 2 377.485 -0.072 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c(=O)[nH]c1=O ZINC000434987727 1072658022 /nfs/dbraw/zinc/65/80/22/1072658022.db2.gz VNCCKWBCTRPOPJ-CHWSQXEVSA-N 1 2 379.461 -0.224 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c(=O)[nH]c1=O ZINC000434987727 1072658018 /nfs/dbraw/zinc/65/80/18/1072658018.db2.gz VNCCKWBCTRPOPJ-CHWSQXEVSA-N 1 2 379.461 -0.224 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(=O)[nH]c1=O ZINC000434987728 1072657886 /nfs/dbraw/zinc/65/78/86/1072657886.db2.gz VNCCKWBCTRPOPJ-OLZOCXBDSA-N 1 2 379.461 -0.224 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(=O)[nH]c1=O ZINC000434987728 1072657882 /nfs/dbraw/zinc/65/78/82/1072657882.db2.gz VNCCKWBCTRPOPJ-OLZOCXBDSA-N 1 2 379.461 -0.224 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c(=O)[nH]c1=O ZINC000434987729 1072658084 /nfs/dbraw/zinc/65/80/84/1072658084.db2.gz VNCCKWBCTRPOPJ-QWHCGFSZSA-N 1 2 379.461 -0.224 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c(=O)[nH]c1=O ZINC000434987729 1072658081 /nfs/dbraw/zinc/65/80/81/1072658081.db2.gz VNCCKWBCTRPOPJ-QWHCGFSZSA-N 1 2 379.461 -0.224 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000434987730 1072658039 /nfs/dbraw/zinc/65/80/39/1072658039.db2.gz VNCCKWBCTRPOPJ-STQMWFEESA-N 1 2 379.461 -0.224 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000434987730 1072658035 /nfs/dbraw/zinc/65/80/35/1072658035.db2.gz VNCCKWBCTRPOPJ-STQMWFEESA-N 1 2 379.461 -0.224 20 0 GBADLO C[N@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C[C@H](O)CN1CCOCC1 ZINC000434988447 1072656980 /nfs/dbraw/zinc/65/69/80/1072656980.db2.gz SFWMQRLNHJUSPX-KRWDZBQOSA-N 1 2 396.463 -0.341 20 0 GBADLO C[N@@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C[C@H](O)CN1CCOCC1 ZINC000434988447 1072656975 /nfs/dbraw/zinc/65/69/75/1072656975.db2.gz SFWMQRLNHJUSPX-KRWDZBQOSA-N 1 2 396.463 -0.341 20 0 GBADLO C[N@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C[C@@H](O)CN1CCOCC1 ZINC000434988448 1072657037 /nfs/dbraw/zinc/65/70/37/1072657037.db2.gz SFWMQRLNHJUSPX-QGZVFWFLSA-N 1 2 396.463 -0.341 20 0 GBADLO C[N@@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C[C@@H](O)CN1CCOCC1 ZINC000434988448 1072657032 /nfs/dbraw/zinc/65/70/32/1072657032.db2.gz SFWMQRLNHJUSPX-QGZVFWFLSA-N 1 2 396.463 -0.341 20 0 GBADLO CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000434990238 1072658091 /nfs/dbraw/zinc/65/80/91/1072658091.db2.gz GDYOTLBUAHSIDE-AWEZNQCLSA-N 1 2 384.477 -0.192 20 0 GBADLO CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000434990240 1072657832 /nfs/dbraw/zinc/65/78/32/1072657832.db2.gz GDYOTLBUAHSIDE-CQSZACIVSA-N 1 2 384.477 -0.192 20 0 GBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCNC(=O)c2cnccn2)C1 ZINC000434995046 1072658147 /nfs/dbraw/zinc/65/81/47/1072658147.db2.gz NBJMFPOUGISHHY-HNNXBMFYSA-N 1 2 376.461 -0.041 20 0 GBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCNC(=O)c2cnccn2)C1 ZINC000434995046 1072658143 /nfs/dbraw/zinc/65/81/43/1072658143.db2.gz NBJMFPOUGISHHY-HNNXBMFYSA-N 1 2 376.461 -0.041 20 0 GBADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCCNC(=O)c2cnccn2)C1 ZINC000434995047 1072658101 /nfs/dbraw/zinc/65/81/01/1072658101.db2.gz NBJMFPOUGISHHY-OAHLLOKOSA-N 1 2 376.461 -0.041 20 0 GBADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCCNC(=O)c2cnccn2)C1 ZINC000434995047 1072658099 /nfs/dbraw/zinc/65/80/99/1072658099.db2.gz NBJMFPOUGISHHY-OAHLLOKOSA-N 1 2 376.461 -0.041 20 0 GBADLO CN(CC(=O)NCCCN1CCCCCC1=O)C[C@H](O)C[NH+]1CCOCC1 ZINC000434996965 1072657986 /nfs/dbraw/zinc/65/79/86/1072657986.db2.gz XJWABGCNVAGDST-KRWDZBQOSA-N 1 2 384.521 -0.480 20 0 GBADLO CN(CC(=O)NCCCN1CCCCCC1=O)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434996966 1072657714 /nfs/dbraw/zinc/65/77/14/1072657714.db2.gz XJWABGCNVAGDST-QGZVFWFLSA-N 1 2 384.521 -0.480 20 0 GBADLO O=C(CN1CCC(c2c[nH]c[nH+]2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000434999366 1072658989 /nfs/dbraw/zinc/65/89/89/1072658989.db2.gz HAOQZSIHTINLGS-INIZCTEOSA-N 1 2 395.529 -0.080 20 0 GBADLO O=C(CN1CCC(c2c[nH]c[nH+]2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000434999367 1072659025 /nfs/dbraw/zinc/65/90/25/1072659025.db2.gz HAOQZSIHTINLGS-MRXNPFEDSA-N 1 2 395.529 -0.080 20 0 GBADLO CN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000435002600 1072656952 /nfs/dbraw/zinc/65/69/52/1072656952.db2.gz FZNIMMTWFZIPFA-INIZCTEOSA-N 1 2 394.472 -0.811 20 0 GBADLO CN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435002601 1072657113 /nfs/dbraw/zinc/65/71/13/1072657113.db2.gz FZNIMMTWFZIPFA-MRXNPFEDSA-N 1 2 394.472 -0.811 20 0 GBADLO COc1ccc(CNC(=O)CN(C)C[C@H](O)C[NH+]2CCOCC2)cc1OC ZINC000435003541 1072658762 /nfs/dbraw/zinc/65/87/62/1072658762.db2.gz NFTGYJGCFSJRMQ-INIZCTEOSA-N 1 2 381.473 -0.055 20 0 GBADLO COc1ccc(CNC(=O)CN(C)C[C@@H](O)C[NH+]2CCOCC2)cc1OC ZINC000435003543 1072658746 /nfs/dbraw/zinc/65/87/46/1072658746.db2.gz NFTGYJGCFSJRMQ-MRXNPFEDSA-N 1 2 381.473 -0.055 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000435095952 1072665121 /nfs/dbraw/zinc/66/51/21/1072665121.db2.gz JZYXYMKIPKRZKQ-AWEZNQCLSA-N 1 2 386.474 -0.249 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000435095953 1072665210 /nfs/dbraw/zinc/66/52/10/1072665210.db2.gz JZYXYMKIPKRZKQ-CQSZACIVSA-N 1 2 386.474 -0.249 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCCc2nnc3ccccn32)CCO1 ZINC000435108707 1072665833 /nfs/dbraw/zinc/66/58/33/1072665833.db2.gz OARBKQFSCQISMM-AWEZNQCLSA-N 1 2 389.460 -0.511 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCCc2nnc3ccccn32)CCO1 ZINC000435108707 1072665826 /nfs/dbraw/zinc/66/58/26/1072665826.db2.gz OARBKQFSCQISMM-AWEZNQCLSA-N 1 2 389.460 -0.511 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCCc2nnc3ccccn32)CCO1 ZINC000435108708 1072666106 /nfs/dbraw/zinc/66/61/06/1072666106.db2.gz OARBKQFSCQISMM-CQSZACIVSA-N 1 2 389.460 -0.511 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCCc2nnc3ccccn32)CCO1 ZINC000435108708 1072666099 /nfs/dbraw/zinc/66/60/99/1072666099.db2.gz OARBKQFSCQISMM-CQSZACIVSA-N 1 2 389.460 -0.511 20 0 GBADLO Cc1ccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000435120363 1072666274 /nfs/dbraw/zinc/66/62/74/1072666274.db2.gz JNTPFSQTHNDTBT-AWEZNQCLSA-N 1 2 386.474 -0.201 20 0 GBADLO Cc1ccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000435120364 1072666986 /nfs/dbraw/zinc/66/69/86/1072666986.db2.gz JNTPFSQTHNDTBT-CQSZACIVSA-N 1 2 386.474 -0.201 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000435123824 1072666883 /nfs/dbraw/zinc/66/68/83/1072666883.db2.gz JCAKECAHJXQNHU-HNNXBMFYSA-N 1 2 380.445 -0.032 20 0 GBADLO CNC(=O)COc1ccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000435123826 1072666959 /nfs/dbraw/zinc/66/69/59/1072666959.db2.gz JCAKECAHJXQNHU-OAHLLOKOSA-N 1 2 380.445 -0.032 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000435136221 1072666719 /nfs/dbraw/zinc/66/67/19/1072666719.db2.gz ZOHDJJRMBUSMEC-CYBMUJFWSA-N 1 2 390.437 -0.370 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000435136222 1072666870 /nfs/dbraw/zinc/66/68/70/1072666870.db2.gz ZOHDJJRMBUSMEC-ZDUSSCGKSA-N 1 2 390.437 -0.370 20 0 GBADLO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000435141695 1072669016 /nfs/dbraw/zinc/66/90/16/1072669016.db2.gz QNRUOGAUDDDRLK-BZUAXINKSA-N 1 2 397.520 -0.103 20 0 GBADLO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000435141695 1072669008 /nfs/dbraw/zinc/66/90/08/1072669008.db2.gz QNRUOGAUDDDRLK-BZUAXINKSA-N 1 2 397.520 -0.103 20 0 GBADLO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000435141697 1072668654 /nfs/dbraw/zinc/66/86/54/1072668654.db2.gz QNRUOGAUDDDRLK-OAGGEKHMSA-N 1 2 397.520 -0.103 20 0 GBADLO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000435141697 1072668650 /nfs/dbraw/zinc/66/86/50/1072668650.db2.gz QNRUOGAUDDDRLK-OAGGEKHMSA-N 1 2 397.520 -0.103 20 0 GBADLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000435141698 1072668908 /nfs/dbraw/zinc/66/89/08/1072668908.db2.gz QNRUOGAUDDDRLK-OWCLPIDISA-N 1 2 397.520 -0.103 20 0 GBADLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000435141698 1072668901 /nfs/dbraw/zinc/66/89/01/1072668901.db2.gz QNRUOGAUDDDRLK-OWCLPIDISA-N 1 2 397.520 -0.103 20 0 GBADLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000435141700 1072669092 /nfs/dbraw/zinc/66/90/92/1072669092.db2.gz QNRUOGAUDDDRLK-PMPSAXMXSA-N 1 2 397.520 -0.103 20 0 GBADLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000435141700 1072669087 /nfs/dbraw/zinc/66/90/87/1072669087.db2.gz QNRUOGAUDDDRLK-PMPSAXMXSA-N 1 2 397.520 -0.103 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000435144478 1072668740 /nfs/dbraw/zinc/66/87/40/1072668740.db2.gz GQFHACSHIPWWTA-BETUJISGSA-N 1 2 380.449 -0.865 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000435144478 1072668735 /nfs/dbraw/zinc/66/87/35/1072668735.db2.gz GQFHACSHIPWWTA-BETUJISGSA-N 1 2 380.449 -0.865 20 0 GBADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC000435154572 1072667906 /nfs/dbraw/zinc/66/79/06/1072667906.db2.gz UOJXAWLYYCNYFC-UHFFFAOYSA-N 1 2 394.476 -0.521 20 0 GBADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000435154572 1072667903 /nfs/dbraw/zinc/66/79/03/1072667903.db2.gz UOJXAWLYYCNYFC-UHFFFAOYSA-N 1 2 394.476 -0.521 20 0 GBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000435156920 1072668695 /nfs/dbraw/zinc/66/86/95/1072668695.db2.gz GHOLIBVCRMXCCU-KRWDZBQOSA-N 1 2 396.492 -0.628 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000435156920 1072668691 /nfs/dbraw/zinc/66/86/91/1072668691.db2.gz GHOLIBVCRMXCCU-KRWDZBQOSA-N 1 2 396.492 -0.628 20 0 GBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000435156921 1072668769 /nfs/dbraw/zinc/66/87/69/1072668769.db2.gz GHOLIBVCRMXCCU-QGZVFWFLSA-N 1 2 396.492 -0.628 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000435156921 1072668763 /nfs/dbraw/zinc/66/87/63/1072668763.db2.gz GHOLIBVCRMXCCU-QGZVFWFLSA-N 1 2 396.492 -0.628 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCc2ccccc2OCCO)CCO1 ZINC000435159449 1072668621 /nfs/dbraw/zinc/66/86/21/1072668621.db2.gz RJDKBRHTBKTVEJ-HNNXBMFYSA-N 1 2 380.445 -0.615 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCc2ccccc2OCCO)CCO1 ZINC000435159449 1072668616 /nfs/dbraw/zinc/66/86/16/1072668616.db2.gz RJDKBRHTBKTVEJ-HNNXBMFYSA-N 1 2 380.445 -0.615 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2ccccc2OCCO)CCO1 ZINC000435159450 1072668504 /nfs/dbraw/zinc/66/85/04/1072668504.db2.gz RJDKBRHTBKTVEJ-OAHLLOKOSA-N 1 2 380.445 -0.615 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2ccccc2OCCO)CCO1 ZINC000435159450 1072668497 /nfs/dbraw/zinc/66/84/97/1072668497.db2.gz RJDKBRHTBKTVEJ-OAHLLOKOSA-N 1 2 380.445 -0.615 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC000435162537 1072669824 /nfs/dbraw/zinc/66/98/24/1072669824.db2.gz LSUNVJPDSDJKIN-UHFFFAOYSA-N 1 2 380.449 -0.863 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC000435162537 1072669820 /nfs/dbraw/zinc/66/98/20/1072669820.db2.gz LSUNVJPDSDJKIN-UHFFFAOYSA-N 1 2 380.449 -0.863 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C[C@H](C)O1 ZINC000435166366 1072670763 /nfs/dbraw/zinc/67/07/63/1072670763.db2.gz QZLQPVXVSUKQPE-OKILXGFUSA-N 1 2 394.476 -0.523 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C[C@H](C)O1 ZINC000435166366 1072670753 /nfs/dbraw/zinc/67/07/53/1072670753.db2.gz QZLQPVXVSUKQPE-OKILXGFUSA-N 1 2 394.476 -0.523 20 0 GBADLO CCOC(=O)CNC(=O)C1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000435181526 1072671521 /nfs/dbraw/zinc/67/15/21/1072671521.db2.gz MXXRIOVQQPNAGA-AWEZNQCLSA-N 1 2 384.477 -0.192 20 0 GBADLO CCOC(=O)CNC(=O)C1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000435181526 1072671518 /nfs/dbraw/zinc/67/15/18/1072671518.db2.gz MXXRIOVQQPNAGA-AWEZNQCLSA-N 1 2 384.477 -0.192 20 0 GBADLO CCOC(=O)CNC(=O)C1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000435181527 1072671741 /nfs/dbraw/zinc/67/17/41/1072671741.db2.gz MXXRIOVQQPNAGA-CQSZACIVSA-N 1 2 384.477 -0.192 20 0 GBADLO CCOC(=O)CNC(=O)C1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000435181527 1072671736 /nfs/dbraw/zinc/67/17/36/1072671736.db2.gz MXXRIOVQQPNAGA-CQSZACIVSA-N 1 2 384.477 -0.192 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@]1(O)CCO[C@@H]1C ZINC000435223036 1072675704 /nfs/dbraw/zinc/67/57/04/1072675704.db2.gz PMEIVDGUTXHKSP-ACJLOTCBSA-N 1 2 378.429 -0.179 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@]1(O)CCO[C@@H]1C ZINC000435223037 1072675676 /nfs/dbraw/zinc/67/56/76/1072675676.db2.gz PMEIVDGUTXHKSP-FZKQIMNGSA-N 1 2 378.429 -0.179 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@]1(O)CCO[C@H]1C ZINC000435223038 1072675668 /nfs/dbraw/zinc/67/56/68/1072675668.db2.gz PMEIVDGUTXHKSP-SCLBCKFNSA-N 1 2 378.429 -0.179 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@]1(O)CCO[C@H]1C ZINC000435223039 1072675819 /nfs/dbraw/zinc/67/58/19/1072675819.db2.gz PMEIVDGUTXHKSP-UGSOOPFHSA-N 1 2 378.429 -0.179 20 0 GBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000435233719 1072677888 /nfs/dbraw/zinc/67/78/88/1072677888.db2.gz CLUFZICVKYNXKR-CQSZACIVSA-N 1 2 386.412 -0.015 20 0 GBADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000435242042 1072679217 /nfs/dbraw/zinc/67/92/17/1072679217.db2.gz XNEPHHWMFMXWFB-OAHLLOKOSA-N 1 2 386.412 -0.015 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)S(N)(=O)=O ZINC000435250910 1072678789 /nfs/dbraw/zinc/67/87/89/1072678789.db2.gz VIAMQMIZFIMMTK-GFCCVEGCSA-N 1 2 397.501 -0.281 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)S(N)(=O)=O ZINC000435250913 1072678619 /nfs/dbraw/zinc/67/86/19/1072678619.db2.gz VIAMQMIZFIMMTK-LBPRGKRZSA-N 1 2 397.501 -0.281 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000435254316 1072678558 /nfs/dbraw/zinc/67/85/58/1072678558.db2.gz QTPFAIKFCAJNQO-IBGZPJMESA-N 1 2 387.440 -0.096 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000435254317 1072678657 /nfs/dbraw/zinc/67/86/57/1072678657.db2.gz QTPFAIKFCAJNQO-LJQANCHMSA-N 1 2 387.440 -0.096 20 0 GBADLO COC(=O)CCN1CC[C@H](NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000435270379 1072680641 /nfs/dbraw/zinc/68/06/41/1072680641.db2.gz KWBWUJLRVBKJDQ-CVEARBPZSA-N 1 2 396.488 -0.097 20 0 GBADLO COC(=O)CCN1CC[C@H](NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000435270379 1072680637 /nfs/dbraw/zinc/68/06/37/1072680637.db2.gz KWBWUJLRVBKJDQ-CVEARBPZSA-N 1 2 396.488 -0.097 20 0 GBADLO COC(=O)CCN1CC[C@H](NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000435270383 1072680868 /nfs/dbraw/zinc/68/08/68/1072680868.db2.gz KWBWUJLRVBKJDQ-HOTGVXAUSA-N 1 2 396.488 -0.097 20 0 GBADLO COC(=O)CCN1CC[C@H](NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000435270383 1072680863 /nfs/dbraw/zinc/68/08/63/1072680863.db2.gz KWBWUJLRVBKJDQ-HOTGVXAUSA-N 1 2 396.488 -0.097 20 0 GBADLO COC(=O)CCN1CC[C@@H](NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000435270385 1072680507 /nfs/dbraw/zinc/68/05/07/1072680507.db2.gz KWBWUJLRVBKJDQ-HZPDHXFCSA-N 1 2 396.488 -0.097 20 0 GBADLO COC(=O)CCN1CC[C@@H](NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000435270385 1072680497 /nfs/dbraw/zinc/68/04/97/1072680497.db2.gz KWBWUJLRVBKJDQ-HZPDHXFCSA-N 1 2 396.488 -0.097 20 0 GBADLO COC(=O)CCN1CC[C@@H](NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000435270387 1072680702 /nfs/dbraw/zinc/68/07/02/1072680702.db2.gz KWBWUJLRVBKJDQ-JKSUJKDBSA-N 1 2 396.488 -0.097 20 0 GBADLO COC(=O)CCN1CC[C@@H](NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000435270387 1072680692 /nfs/dbraw/zinc/68/06/92/1072680692.db2.gz KWBWUJLRVBKJDQ-JKSUJKDBSA-N 1 2 396.488 -0.097 20 0 GBADLO COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000435284832 1072682611 /nfs/dbraw/zinc/68/26/11/1072682611.db2.gz LJURJNXKYXHRQB-UONOGXRCSA-N 1 2 393.444 -0.388 20 0 GBADLO COC[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCCO1 ZINC000435288887 1072682816 /nfs/dbraw/zinc/68/28/16/1072682816.db2.gz FOQHXCMOZQUUCF-CVEARBPZSA-N 1 2 395.460 -0.536 20 0 GBADLO COC[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCCO1 ZINC000435288888 1072682656 /nfs/dbraw/zinc/68/26/56/1072682656.db2.gz FOQHXCMOZQUUCF-HOTGVXAUSA-N 1 2 395.460 -0.536 20 0 GBADLO COC[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000435288889 1072682791 /nfs/dbraw/zinc/68/27/91/1072682791.db2.gz FOQHXCMOZQUUCF-HZPDHXFCSA-N 1 2 395.460 -0.536 20 0 GBADLO COC[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000435288890 1072682784 /nfs/dbraw/zinc/68/27/84/1072682784.db2.gz FOQHXCMOZQUUCF-JKSUJKDBSA-N 1 2 395.460 -0.536 20 0 GBADLO COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000435290847 1072683401 /nfs/dbraw/zinc/68/34/01/1072683401.db2.gz SFEPDCGVJADDCP-UONOGXRCSA-N 1 2 393.444 -0.388 20 0 GBADLO COC(=O)Cn1cc(CNC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000435307999 1072684693 /nfs/dbraw/zinc/68/46/93/1072684693.db2.gz CXFZJBDMDVIICR-HNNXBMFYSA-N 1 2 380.449 -0.297 20 0 GBADLO COC(=O)Cn1cc(CNC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000435307999 1072684688 /nfs/dbraw/zinc/68/46/88/1072684688.db2.gz CXFZJBDMDVIICR-HNNXBMFYSA-N 1 2 380.449 -0.297 20 0 GBADLO COC(=O)Cn1cc(CNC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000435308004 1072684626 /nfs/dbraw/zinc/68/46/26/1072684626.db2.gz CXFZJBDMDVIICR-OAHLLOKOSA-N 1 2 380.449 -0.297 20 0 GBADLO COC(=O)Cn1cc(CNC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)nn1 ZINC000435308004 1072684622 /nfs/dbraw/zinc/68/46/22/1072684622.db2.gz CXFZJBDMDVIICR-OAHLLOKOSA-N 1 2 380.449 -0.297 20 0 GBADLO CSC1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCC1 ZINC000435313595 1072685372 /nfs/dbraw/zinc/68/53/72/1072685372.db2.gz BAFDVDCIFPBXCA-UHFFFAOYSA-N 1 2 381.502 0.556 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000435499112 1072698486 /nfs/dbraw/zinc/69/84/86/1072698486.db2.gz CLIGQNXGBKEJIN-KRWDZBQOSA-N 1 2 396.463 -0.181 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000435499113 1072698538 /nfs/dbraw/zinc/69/85/38/1072698538.db2.gz CLIGQNXGBKEJIN-QGZVFWFLSA-N 1 2 396.463 -0.181 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000435504813 1072698741 /nfs/dbraw/zinc/69/87/41/1072698741.db2.gz KRBRSIYRBUNEFG-HNNXBMFYSA-N 1 2 392.522 -0.960 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000435504815 1072698921 /nfs/dbraw/zinc/69/89/21/1072698921.db2.gz KRBRSIYRBUNEFG-OAHLLOKOSA-N 1 2 392.522 -0.960 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000435508870 1072697923 /nfs/dbraw/zinc/69/79/23/1072697923.db2.gz ZKJRCEMFUAYYBB-NEPJUHHUSA-N 1 2 382.383 -0.516 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000435508871 1072697794 /nfs/dbraw/zinc/69/77/94/1072697794.db2.gz ZKJRCEMFUAYYBB-NWDGAFQWSA-N 1 2 382.383 -0.516 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000435508872 1072697780 /nfs/dbraw/zinc/69/77/80/1072697780.db2.gz ZKJRCEMFUAYYBB-RYUDHWBXSA-N 1 2 382.383 -0.516 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000435508873 1072697861 /nfs/dbraw/zinc/69/78/61/1072697861.db2.gz ZKJRCEMFUAYYBB-VXGBXAGGSA-N 1 2 382.383 -0.516 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000435515218 1072699569 /nfs/dbraw/zinc/69/95/69/1072699569.db2.gz OMUGBAZTFOZPFT-INIZCTEOSA-N 1 2 382.436 -0.110 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000435515219 1072699439 /nfs/dbraw/zinc/69/94/39/1072699439.db2.gz OMUGBAZTFOZPFT-MRXNPFEDSA-N 1 2 382.436 -0.110 20 0 GBADLO COc1cc(OC)cc(-n2nnnc2CN(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000435533272 1072699585 /nfs/dbraw/zinc/69/95/85/1072699585.db2.gz HYQKMQIDQWBORD-HNNXBMFYSA-N 1 2 392.460 -0.196 20 0 GBADLO COc1cc(OC)cc(-n2nnnc2CN(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000435533273 1072699333 /nfs/dbraw/zinc/69/93/33/1072699333.db2.gz HYQKMQIDQWBORD-OAHLLOKOSA-N 1 2 392.460 -0.196 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCc1nnc2ccccn21 ZINC000435558389 1072703490 /nfs/dbraw/zinc/70/34/90/1072703490.db2.gz DWNORXQHKIIXDK-HNNXBMFYSA-N 1 2 376.461 -0.004 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCc1nnc2ccccn21 ZINC000435558390 1072703270 /nfs/dbraw/zinc/70/32/70/1072703270.db2.gz DWNORXQHKIIXDK-OAHLLOKOSA-N 1 2 376.461 -0.004 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000435567973 1072702165 /nfs/dbraw/zinc/70/21/65/1072702165.db2.gz FZUSQWFPDDIBCH-HNNXBMFYSA-N 1 2 380.445 -0.615 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000435567974 1072702421 /nfs/dbraw/zinc/70/24/21/1072702421.db2.gz FZUSQWFPDDIBCH-OAHLLOKOSA-N 1 2 380.445 -0.615 20 0 GBADLO CNC(=O)c1cccc(CCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000435573043 1072702214 /nfs/dbraw/zinc/70/22/14/1072702214.db2.gz IGXMKEINERAEHV-KRWDZBQOSA-N 1 2 378.473 -0.077 20 0 GBADLO CNC(=O)c1cccc(CCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000435573044 1072702206 /nfs/dbraw/zinc/70/22/06/1072702206.db2.gz IGXMKEINERAEHV-QGZVFWFLSA-N 1 2 378.473 -0.077 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCc1nnc2n1CCCCC2 ZINC000435574946 1072702230 /nfs/dbraw/zinc/70/22/30/1072702230.db2.gz BTSXJKJOKDFESK-HNNXBMFYSA-N 1 2 380.493 -0.119 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCc1nnc2n1CCCCC2 ZINC000435574947 1072702547 /nfs/dbraw/zinc/70/25/47/1072702547.db2.gz BTSXJKJOKDFESK-OAHLLOKOSA-N 1 2 380.493 -0.119 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccnc1N1CCOCC1 ZINC000435577268 1072704173 /nfs/dbraw/zinc/70/41/73/1072704173.db2.gz IRKDLRYBLAJTPA-KRWDZBQOSA-N 1 2 393.488 -0.247 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccnc1N1CCOCC1 ZINC000435577269 1072704425 /nfs/dbraw/zinc/70/44/25/1072704425.db2.gz IRKDLRYBLAJTPA-QGZVFWFLSA-N 1 2 393.488 -0.247 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000435584992 1072703246 /nfs/dbraw/zinc/70/32/46/1072703246.db2.gz RJKVPXNFKKJJLT-KRWDZBQOSA-N 1 2 393.488 -0.247 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000435584994 1072703537 /nfs/dbraw/zinc/70/35/37/1072703537.db2.gz RJKVPXNFKKJJLT-QGZVFWFLSA-N 1 2 393.488 -0.247 20 0 GBADLO CNC(=O)COc1cccc(CC(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000435585058 1072704616 /nfs/dbraw/zinc/70/46/16/1072704616.db2.gz RTBVDGCFOQWSPP-UHFFFAOYSA-N 1 2 386.456 -0.210 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000435612633 1072703908 /nfs/dbraw/zinc/70/39/08/1072703908.db2.gz YDCBXFZREDMDGG-HNNXBMFYSA-N 1 2 385.486 -0.075 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000435612634 1072704013 /nfs/dbraw/zinc/70/40/13/1072704013.db2.gz YDCBXFZREDMDGG-OAHLLOKOSA-N 1 2 385.486 -0.075 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000435617842 1072703991 /nfs/dbraw/zinc/70/39/91/1072703991.db2.gz XBQQCERGSPMCBA-AWEZNQCLSA-N 1 2 390.440 -0.383 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000435617846 1072704111 /nfs/dbraw/zinc/70/41/11/1072704111.db2.gz XBQQCERGSPMCBA-CQSZACIVSA-N 1 2 390.440 -0.383 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000435623137 1072705967 /nfs/dbraw/zinc/70/59/67/1072705967.db2.gz UDKXXIGLWMKCNC-HNNXBMFYSA-N 1 2 396.492 -0.894 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000435623141 1072706086 /nfs/dbraw/zinc/70/60/86/1072706086.db2.gz UDKXXIGLWMKCNC-OAHLLOKOSA-N 1 2 396.492 -0.894 20 0 GBADLO C[N@@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1O ZINC000435627890 1072707149 /nfs/dbraw/zinc/70/71/49/1072707149.db2.gz OBGPTOQRPNCOEZ-HZPDHXFCSA-N 1 2 396.513 -0.546 20 0 GBADLO C[N@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1O ZINC000435627890 1072707145 /nfs/dbraw/zinc/70/71/45/1072707145.db2.gz OBGPTOQRPNCOEZ-HZPDHXFCSA-N 1 2 396.513 -0.546 20 0 GBADLO C[N@@H+](CC(=O)[O-])[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1O ZINC000435627891 1072707230 /nfs/dbraw/zinc/70/72/30/1072707230.db2.gz OBGPTOQRPNCOEZ-JKSUJKDBSA-N 1 2 396.513 -0.546 20 0 GBADLO C[N@H+](CC(=O)[O-])[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1O ZINC000435627891 1072707226 /nfs/dbraw/zinc/70/72/26/1072707226.db2.gz OBGPTOQRPNCOEZ-JKSUJKDBSA-N 1 2 396.513 -0.546 20 0 GBADLO C[N@@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000435638582 1072705197 /nfs/dbraw/zinc/70/51/97/1072705197.db2.gz VICDVEUNADWBBC-HZPDHXFCSA-N 1 2 396.513 -0.546 20 0 GBADLO C[N@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000435638582 1072705191 /nfs/dbraw/zinc/70/51/91/1072705191.db2.gz VICDVEUNADWBBC-HZPDHXFCSA-N 1 2 396.513 -0.546 20 0 GBADLO C[N@@H+](CC(=O)[O-])[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000435638584 1072705366 /nfs/dbraw/zinc/70/53/66/1072705366.db2.gz VICDVEUNADWBBC-JKSUJKDBSA-N 1 2 396.513 -0.546 20 0 GBADLO C[N@H+](CC(=O)[O-])[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000435638584 1072705363 /nfs/dbraw/zinc/70/53/63/1072705363.db2.gz VICDVEUNADWBBC-JKSUJKDBSA-N 1 2 396.513 -0.546 20 0 GBADLO COc1ccccc1CCNC(=O)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000435650348 1072708261 /nfs/dbraw/zinc/70/82/61/1072708261.db2.gz GGZNOMKVLNFYLH-UHFFFAOYSA-N 1 2 399.513 -0.004 20 0 GBADLO CNc1[nH+]cnc2c1cnn2CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000435799679 1072718069 /nfs/dbraw/zinc/71/80/69/1072718069.db2.gz NACCWFXBCDHJJK-UHFFFAOYSA-N 1 2 388.476 -0.073 20 0 GBADLO COCc1noc(CN2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC000435800386 1072718044 /nfs/dbraw/zinc/71/80/44/1072718044.db2.gz PPFYLUXNISFZEF-AWEZNQCLSA-N 1 2 382.465 -0.236 20 0 GBADLO COCc1noc(CN2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC000435800387 1072718338 /nfs/dbraw/zinc/71/83/38/1072718338.db2.gz PPFYLUXNISFZEF-CQSZACIVSA-N 1 2 382.465 -0.236 20 0 GBADLO CNc1[nH+]cnc2c1cnn2CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000435801917 1072718395 /nfs/dbraw/zinc/71/83/95/1072718395.db2.gz WQQJDXPUALJZJR-LLVKDONJSA-N 1 2 382.446 -0.470 20 0 GBADLO CNc1[nH+]cnc2c1cnn2CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000435801919 1072718896 /nfs/dbraw/zinc/71/88/96/1072718896.db2.gz WQQJDXPUALJZJR-NSHDSACASA-N 1 2 382.446 -0.470 20 0 GBADLO Cc1conc1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000435847657 1072720543 /nfs/dbraw/zinc/72/05/43/1072720543.db2.gz UFWQENQCJUUJOD-UHFFFAOYSA-N 1 2 386.412 0.172 20 0 GBADLO CN(CC1(O)CCOCC1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000435874548 1072721178 /nfs/dbraw/zinc/72/11/78/1072721178.db2.gz LHIUPDKSEDRYEG-UHFFFAOYSA-N 1 2 378.477 -0.219 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N(CCO)C1CCOCC1 ZINC000435880731 1072721148 /nfs/dbraw/zinc/72/11/48/1072721148.db2.gz QLOSWIWXZXLUAK-UHFFFAOYSA-N 1 2 378.477 -0.219 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H](OCCO)C1 ZINC000435882689 1072721358 /nfs/dbraw/zinc/72/13/58/1072721358.db2.gz UWFJMIYKSRAIDO-INIZCTEOSA-N 1 2 378.477 -0.219 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H](OCCO)C1 ZINC000435882691 1072721315 /nfs/dbraw/zinc/72/13/15/1072721315.db2.gz UWFJMIYKSRAIDO-MRXNPFEDSA-N 1 2 378.477 -0.219 20 0 GBADLO Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000435901672 1072722325 /nfs/dbraw/zinc/72/23/25/1072722325.db2.gz IRLQEKVDRANTSM-HNNXBMFYSA-N 1 2 376.461 0.056 20 0 GBADLO Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000435901672 1072722320 /nfs/dbraw/zinc/72/23/20/1072722320.db2.gz IRLQEKVDRANTSM-HNNXBMFYSA-N 1 2 376.461 0.056 20 0 GBADLO Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000435901673 1072722416 /nfs/dbraw/zinc/72/24/16/1072722416.db2.gz IRLQEKVDRANTSM-OAHLLOKOSA-N 1 2 376.461 0.056 20 0 GBADLO Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000435901673 1072722412 /nfs/dbraw/zinc/72/24/12/1072722412.db2.gz IRLQEKVDRANTSM-OAHLLOKOSA-N 1 2 376.461 0.056 20 0 GBADLO Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000435906459 1072722507 /nfs/dbraw/zinc/72/25/07/1072722507.db2.gz KYGKVHPPZUNKKS-HNNXBMFYSA-N 1 2 376.461 -0.086 20 0 GBADLO Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000435906459 1072722502 /nfs/dbraw/zinc/72/25/02/1072722502.db2.gz KYGKVHPPZUNKKS-HNNXBMFYSA-N 1 2 376.461 -0.086 20 0 GBADLO Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000435906460 1072722233 /nfs/dbraw/zinc/72/22/33/1072722233.db2.gz KYGKVHPPZUNKKS-OAHLLOKOSA-N 1 2 376.461 -0.086 20 0 GBADLO Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000435906460 1072722223 /nfs/dbraw/zinc/72/22/23/1072722223.db2.gz KYGKVHPPZUNKKS-OAHLLOKOSA-N 1 2 376.461 -0.086 20 0 GBADLO CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000435907024 530382403 /nfs/dbraw/zinc/38/24/03/530382403.db2.gz NHZUDCSTYNMASJ-HNNXBMFYSA-N 1 2 391.515 -0.199 20 0 GBADLO CC[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000435907025 530382506 /nfs/dbraw/zinc/38/25/06/530382506.db2.gz NHZUDCSTYNMASJ-OAHLLOKOSA-N 1 2 391.515 -0.199 20 0 GBADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(CC(N)=O)CC1)CC2 ZINC000435941627 1072725076 /nfs/dbraw/zinc/72/50/76/1072725076.db2.gz UPXXGSYVFRMVQG-UHFFFAOYSA-N 1 2 376.457 -0.309 20 0 GBADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(CC(N)=O)CC1)CC2 ZINC000435941627 1072725073 /nfs/dbraw/zinc/72/50/73/1072725073.db2.gz UPXXGSYVFRMVQG-UHFFFAOYSA-N 1 2 376.457 -0.309 20 0 GBADLO COCc1noc(CN2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)n1 ZINC000435969297 1072725853 /nfs/dbraw/zinc/72/58/53/1072725853.db2.gz SMJGOPOVVSXZHR-AWEZNQCLSA-N 1 2 382.465 -0.236 20 0 GBADLO COCc1noc(CN2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)n1 ZINC000435969297 1072725845 /nfs/dbraw/zinc/72/58/45/1072725845.db2.gz SMJGOPOVVSXZHR-AWEZNQCLSA-N 1 2 382.465 -0.236 20 0 GBADLO COCc1noc(CN2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)n1 ZINC000435969298 1072725755 /nfs/dbraw/zinc/72/57/55/1072725755.db2.gz SMJGOPOVVSXZHR-CQSZACIVSA-N 1 2 382.465 -0.236 20 0 GBADLO COCc1noc(CN2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)n1 ZINC000435969298 1072725747 /nfs/dbraw/zinc/72/57/47/1072725747.db2.gz SMJGOPOVVSXZHR-CQSZACIVSA-N 1 2 382.465 -0.236 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000436021234 530382628 /nfs/dbraw/zinc/38/26/28/530382628.db2.gz TXWSUXSZAYNBMG-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO COc1ccc(O)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000436092000 1072732094 /nfs/dbraw/zinc/73/20/94/1072732094.db2.gz VUVRJQNLZCQEJM-UHFFFAOYSA-N 1 2 398.485 -0.349 20 0 GBADLO CNC(=O)CCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000436109920 1072731722 /nfs/dbraw/zinc/73/17/22/1072731722.db2.gz LTMXWSGPCPCLJJ-UHFFFAOYSA-N 1 2 397.501 -0.434 20 0 GBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[NH+](CCO)CCO ZINC000436209891 1072735355 /nfs/dbraw/zinc/73/53/55/1072735355.db2.gz YLFJFHMSLWHIJA-UHFFFAOYSA-N 1 2 385.486 -0.497 20 0 GBADLO COCc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)n2ncnc2n1 ZINC000436297005 1073678284 /nfs/dbraw/zinc/67/82/84/1073678284.db2.gz LLBVWKGWNKLOOQ-AWEZNQCLSA-N 1 2 389.460 -0.360 20 0 GBADLO COCc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)n2ncnc2n1 ZINC000436297006 1073678438 /nfs/dbraw/zinc/67/84/38/1073678438.db2.gz LLBVWKGWNKLOOQ-CQSZACIVSA-N 1 2 389.460 -0.360 20 0 GBADLO CN1CCN(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1=O ZINC000436313114 1072739681 /nfs/dbraw/zinc/73/96/81/1072739681.db2.gz OLFYPFCNQZSVFA-UHFFFAOYSA-N 1 2 390.484 -0.212 20 0 GBADLO NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(S(N)(=O)=O)CC2)cc1Cl ZINC000436339375 530382958 /nfs/dbraw/zinc/38/29/58/530382958.db2.gz DZECIOVMIKPJLI-UHFFFAOYSA-N 1 2 389.865 -0.411 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000436422147 1072744581 /nfs/dbraw/zinc/74/45/81/1072744581.db2.gz YPBPWOCHFUWHHO-HUUCEWRRSA-N 1 2 377.445 -0.066 20 0 GBADLO OCCOc1cncc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000436461231 1072746200 /nfs/dbraw/zinc/74/62/00/1072746200.db2.gz XLLIYWYYLKFCAN-UHFFFAOYSA-N 1 2 387.444 -0.199 20 0 GBADLO OCCOc1cncc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000436461231 1072746194 /nfs/dbraw/zinc/74/61/94/1072746194.db2.gz XLLIYWYYLKFCAN-UHFFFAOYSA-N 1 2 387.444 -0.199 20 0 GBADLO CNc1nc(N(CCO)C2CCOCC2)[nH+]c(N(CCO)C2CCOCC2)n1 ZINC000436471160 1072747106 /nfs/dbraw/zinc/74/71/06/1072747106.db2.gz UEJMSGOVLGAFFQ-UHFFFAOYSA-N 1 2 396.492 -0.709 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCNS(=O)(=O)N(C)C ZINC000436520856 1072749505 /nfs/dbraw/zinc/74/95/05/1072749505.db2.gz XMDZODPZUCYGSB-UHFFFAOYSA-N 1 2 386.478 -0.256 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H]1CO ZINC000436646315 1072754696 /nfs/dbraw/zinc/75/46/96/1072754696.db2.gz GQNGSXCEKASZLU-KGLIPLIRSA-N 1 2 389.456 -0.506 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000436694839 1072757359 /nfs/dbraw/zinc/75/73/59/1072757359.db2.gz CXVCOPPZTUHJKO-UHFFFAOYSA-N 1 2 398.485 -0.512 20 0 GBADLO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)CC1 ZINC000436696739 1072757147 /nfs/dbraw/zinc/75/71/47/1072757147.db2.gz JALLPINXWXLLKT-UHFFFAOYSA-N 1 2 398.485 -0.417 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000436768365 1072762504 /nfs/dbraw/zinc/76/25/04/1072762504.db2.gz JZYOQHFNXMUZFL-CYBMUJFWSA-N 1 2 375.429 -0.345 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000436776564 1072762873 /nfs/dbraw/zinc/76/28/73/1072762873.db2.gz JZYOQHFNXMUZFL-ZDUSSCGKSA-N 1 2 375.429 -0.345 20 0 GBADLO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437026386 1072771892 /nfs/dbraw/zinc/77/18/92/1072771892.db2.gz VMDJWYDKXDBAAS-GFCCVEGCSA-N 1 2 388.440 -0.251 20 0 GBADLO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000437026390 1072772205 /nfs/dbraw/zinc/77/22/05/1072772205.db2.gz VMDJWYDKXDBAAS-LBPRGKRZSA-N 1 2 388.440 -0.251 20 0 GBADLO CCc1ccnc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000437105564 1072779789 /nfs/dbraw/zinc/77/97/89/1072779789.db2.gz CYTOPCCGXMDYMF-UHFFFAOYSA-N 1 2 386.456 0.428 20 0 GBADLO COC(=O)CC1(CS(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000437210054 530383011 /nfs/dbraw/zinc/38/30/11/530383011.db2.gz QQAHPSWDLNWRBM-UHFFFAOYSA-N 1 2 375.491 -0.198 20 0 GBADLO Cc1cn2cc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)ccc2[nH+]1 ZINC000437230387 1073701136 /nfs/dbraw/zinc/70/11/36/1073701136.db2.gz BXKHDZJSODZRFD-UHFFFAOYSA-N 1 2 375.429 -0.266 20 0 GBADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N(CCO)CCN1CCOCC1 ZINC000437268476 1073706194 /nfs/dbraw/zinc/70/61/94/1073706194.db2.gz PAVYWPILXXYKDB-UHFFFAOYSA-N 1 2 387.440 -0.036 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000437327458 1072807021 /nfs/dbraw/zinc/80/70/21/1072807021.db2.gz YCXHMIVXOOFMSL-HNNXBMFYSA-N 1 2 390.488 -0.624 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437327459 1072806506 /nfs/dbraw/zinc/80/65/06/1072806506.db2.gz YCXHMIVXOOFMSL-OAHLLOKOSA-N 1 2 390.488 -0.624 20 0 GBADLO O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437756344 1072845658 /nfs/dbraw/zinc/84/56/58/1072845658.db2.gz ZPUVXHWPYNBVNO-BEFAXECRSA-N 1 2 397.479 -0.422 20 0 GBADLO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437756348 1072845184 /nfs/dbraw/zinc/84/51/84/1072845184.db2.gz ZPUVXHWPYNBVNO-DNVCBOLYSA-N 1 2 397.479 -0.422 20 0 GBADLO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000437756351 1072845239 /nfs/dbraw/zinc/84/52/39/1072845239.db2.gz ZPUVXHWPYNBVNO-HNAYVOBHSA-N 1 2 397.479 -0.422 20 0 GBADLO O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000437756354 1072845504 /nfs/dbraw/zinc/84/55/04/1072845504.db2.gz ZPUVXHWPYNBVNO-KXBFYZLASA-N 1 2 397.479 -0.422 20 0 GBADLO COC(=O)[C@@H](O)C1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000437772339 1072847852 /nfs/dbraw/zinc/84/78/52/1072847852.db2.gz HDLNIMCHAOSRMF-INIZCTEOSA-N 1 2 395.460 -0.007 20 0 GBADLO COC(=O)[C@H](O)C1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000437772340 1072847329 /nfs/dbraw/zinc/84/73/29/1072847329.db2.gz HDLNIMCHAOSRMF-MRXNPFEDSA-N 1 2 395.460 -0.007 20 0 GBADLO COC(=O)[C@@H](O)C1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000437785090 1072847516 /nfs/dbraw/zinc/84/75/16/1072847516.db2.gz KZEWVMJAZBWWOK-INIZCTEOSA-N 1 2 395.460 -0.007 20 0 GBADLO COC(=O)[C@H](O)C1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000437785091 1072846999 /nfs/dbraw/zinc/84/69/99/1072846999.db2.gz KZEWVMJAZBWWOK-MRXNPFEDSA-N 1 2 395.460 -0.007 20 0 GBADLO Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437866882 1072857096 /nfs/dbraw/zinc/85/70/96/1072857096.db2.gz MPZVEDVCERQOIV-UHFFFAOYSA-N 1 2 375.429 0.420 20 0 GBADLO CCOC(=O)Cn1nc(C)c(CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1C ZINC000437992688 1072863469 /nfs/dbraw/zinc/86/34/69/1072863469.db2.gz BNQQNOQUDTWJCY-HNNXBMFYSA-N 1 2 381.477 -0.319 20 0 GBADLO CCOC(=O)Cn1nc(C)c(CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1C ZINC000437992688 1072863460 /nfs/dbraw/zinc/86/34/60/1072863460.db2.gz BNQQNOQUDTWJCY-HNNXBMFYSA-N 1 2 381.477 -0.319 20 0 GBADLO CCOC(=O)Cn1nc(C)c(CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1C ZINC000437992690 1072863540 /nfs/dbraw/zinc/86/35/40/1072863540.db2.gz BNQQNOQUDTWJCY-OAHLLOKOSA-N 1 2 381.477 -0.319 20 0 GBADLO CCOC(=O)Cn1nc(C)c(CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1C ZINC000437992690 1072863528 /nfs/dbraw/zinc/86/35/28/1072863528.db2.gz BNQQNOQUDTWJCY-OAHLLOKOSA-N 1 2 381.477 -0.319 20 0 GBADLO Nc1noc(CCNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000438014908 1072863978 /nfs/dbraw/zinc/86/39/78/1072863978.db2.gz VHFGQOZFQQBVTI-UHFFFAOYSA-N 1 2 388.432 -0.373 20 0 GBADLO O=S1(=O)CCCN1CCN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000438066965 1072866082 /nfs/dbraw/zinc/86/60/82/1072866082.db2.gz NGZLNPOBYBHRGA-UHFFFAOYSA-N 1 2 396.517 -0.529 20 0 GBADLO O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000438164822 1072869721 /nfs/dbraw/zinc/86/97/21/1072869721.db2.gz BNPZCQBQUVPREH-HNNXBMFYSA-N 1 2 381.436 -0.260 20 0 GBADLO O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000438164827 1072869513 /nfs/dbraw/zinc/86/95/13/1072869513.db2.gz BNPZCQBQUVPREH-OAHLLOKOSA-N 1 2 381.436 -0.260 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3(CO)COC3)cc2)CC1 ZINC000438261436 1072875158 /nfs/dbraw/zinc/87/51/58/1072875158.db2.gz QFCFGPILWDWDEE-UHFFFAOYSA-N 1 2 390.484 -0.112 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000438298879 1072877462 /nfs/dbraw/zinc/87/74/62/1072877462.db2.gz AWPPDDNJPJQPKT-UHFFFAOYSA-N 1 2 380.493 0.401 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(c2cnccn2)CC1 ZINC000438315776 1072878569 /nfs/dbraw/zinc/87/85/69/1072878569.db2.gz NEWUAXFBWMFRLZ-UHFFFAOYSA-N 1 2 386.460 0.359 20 0 GBADLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438327015 1072879723 /nfs/dbraw/zinc/87/97/23/1072879723.db2.gz WYNKZJJTNIHFTN-UHFFFAOYSA-N 1 2 380.493 0.448 20 0 GBADLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438327015 1072879715 /nfs/dbraw/zinc/87/97/15/1072879715.db2.gz WYNKZJJTNIHFTN-UHFFFAOYSA-N 1 2 380.493 0.448 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(c2cccnn2)CC1 ZINC000438327329 1072880212 /nfs/dbraw/zinc/88/02/12/1072880212.db2.gz MAJOSYZWIXPESZ-UHFFFAOYSA-N 1 2 386.460 0.359 20 0 GBADLO O=C(NCCCN1C(=O)CCC1=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438331826 1072879215 /nfs/dbraw/zinc/87/92/15/1072879215.db2.gz YUXXXHZKKPCLMV-UHFFFAOYSA-N 1 2 378.433 -0.124 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(c2ncccn2)CC1 ZINC000438332323 1072878688 /nfs/dbraw/zinc/87/86/88/1072878688.db2.gz QLSGNZNSQIMCMP-UHFFFAOYSA-N 1 2 386.460 0.359 20 0 GBADLO CC(C)NS(=O)(=O)CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438333733 1072878767 /nfs/dbraw/zinc/87/87/67/1072878767.db2.gz WRHSMHXGELXWOZ-UHFFFAOYSA-N 1 2 388.494 -0.335 20 0 GBADLO C[C@@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000438351274 1072881074 /nfs/dbraw/zinc/88/10/74/1072881074.db2.gz GGQRWFBXUOQDJI-CVEARBPZSA-N 1 2 380.493 0.446 20 0 GBADLO C[C@@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000438351278 1072880537 /nfs/dbraw/zinc/88/05/37/1072880537.db2.gz GGQRWFBXUOQDJI-HZPDHXFCSA-N 1 2 380.493 0.446 20 0 GBADLO C[C@H]([C@H](C)NC(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+]1CCOCC1 ZINC000438351280 1072880999 /nfs/dbraw/zinc/88/09/99/1072880999.db2.gz GGQRWFBXUOQDJI-JKSUJKDBSA-N 1 2 380.493 0.446 20 0 GBADLO CCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](C)CS(C)(=O)=O ZINC000438351714 1072879564 /nfs/dbraw/zinc/87/95/64/1072879564.db2.gz HYKWPLZHZUXAGS-AWEZNQCLSA-N 1 2 387.506 0.502 20 0 GBADLO CCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](C)CS(C)(=O)=O ZINC000438351715 1072879837 /nfs/dbraw/zinc/87/98/37/1072879837.db2.gz HYKWPLZHZUXAGS-CQSZACIVSA-N 1 2 387.506 0.502 20 0 GBADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438355654 1072883100 /nfs/dbraw/zinc/88/31/00/1072883100.db2.gz SDZRCBXDVBDWTM-ZIAGYGMSSA-N 1 2 387.506 0.501 20 0 GBADLO Cn1cc(CNc2nc(NCc3cnn(C)c3)[nH+]c(N3CCOCC3)n2)cn1 ZINC000438384731 1072882838 /nfs/dbraw/zinc/88/28/38/1072882838.db2.gz ADSAKAZQMVFZKZ-UHFFFAOYSA-N 1 2 384.448 -0.757 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@H]3CO)ccn2)CC1 ZINC000438661645 1072901746 /nfs/dbraw/zinc/90/17/46/1072901746.db2.gz PMXJQOXKLMVJKY-AWEZNQCLSA-N 1 2 375.429 -0.609 20 0 GBADLO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COCc1cccs1 ZINC000438672136 530384090 /nfs/dbraw/zinc/38/40/90/530384090.db2.gz PQNFDTSVQKDGBJ-CHWSQXEVSA-N 1 2 376.500 -0.139 20 0 GBADLO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COCc1cccs1 ZINC000438672136 530384088 /nfs/dbraw/zinc/38/40/88/530384088.db2.gz PQNFDTSVQKDGBJ-CHWSQXEVSA-N 1 2 376.500 -0.139 20 0 GBADLO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COCc1cccs1 ZINC000438672137 530384277 /nfs/dbraw/zinc/38/42/77/530384277.db2.gz PQNFDTSVQKDGBJ-OLZOCXBDSA-N 1 2 376.500 -0.139 20 0 GBADLO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COCc1cccs1 ZINC000438672137 530384275 /nfs/dbraw/zinc/38/42/75/530384275.db2.gz PQNFDTSVQKDGBJ-OLZOCXBDSA-N 1 2 376.500 -0.139 20 0 GBADLO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COCc1cccs1 ZINC000438672138 530384108 /nfs/dbraw/zinc/38/41/08/530384108.db2.gz PQNFDTSVQKDGBJ-QWHCGFSZSA-N 1 2 376.500 -0.139 20 0 GBADLO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COCc1cccs1 ZINC000438672138 530384106 /nfs/dbraw/zinc/38/41/06/530384106.db2.gz PQNFDTSVQKDGBJ-QWHCGFSZSA-N 1 2 376.500 -0.139 20 0 GBADLO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H](O)COCc1cccs1 ZINC000438672139 530384317 /nfs/dbraw/zinc/38/43/17/530384317.db2.gz PQNFDTSVQKDGBJ-STQMWFEESA-N 1 2 376.500 -0.139 20 0 GBADLO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H](O)COCc1cccs1 ZINC000438672139 530384316 /nfs/dbraw/zinc/38/43/16/530384316.db2.gz PQNFDTSVQKDGBJ-STQMWFEESA-N 1 2 376.500 -0.139 20 0 GBADLO CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438714331 1072905407 /nfs/dbraw/zinc/90/54/07/1072905407.db2.gz IEWMNTJEGNSLCZ-HNNXBMFYSA-N 1 2 379.461 0.181 20 0 GBADLO CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438714332 1072905333 /nfs/dbraw/zinc/90/53/33/1072905333.db2.gz IEWMNTJEGNSLCZ-OAHLLOKOSA-N 1 2 379.461 0.181 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000438716755 530384194 /nfs/dbraw/zinc/38/41/94/530384194.db2.gz RSYIUZJMPOPETP-AWEZNQCLSA-N 1 2 376.523 -0.379 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000438716755 530384193 /nfs/dbraw/zinc/38/41/93/530384193.db2.gz RSYIUZJMPOPETP-AWEZNQCLSA-N 1 2 376.523 -0.379 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000438716756 530384046 /nfs/dbraw/zinc/38/40/46/530384046.db2.gz RSYIUZJMPOPETP-CQSZACIVSA-N 1 2 376.523 -0.379 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000438716756 530384045 /nfs/dbraw/zinc/38/40/45/530384045.db2.gz RSYIUZJMPOPETP-CQSZACIVSA-N 1 2 376.523 -0.379 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000438748061 530384364 /nfs/dbraw/zinc/38/43/64/530384364.db2.gz WRJCRLCWXYAECV-UHFFFAOYSA-N 1 2 376.523 -0.285 20 0 GBADLO CCOC(=O)CCN(C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000438759270 1072908942 /nfs/dbraw/zinc/90/89/42/1072908942.db2.gz TTWVESDIDZLRTG-UHFFFAOYSA-N 1 2 381.433 -0.435 20 0 GBADLO CC1(C[NH+]2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)COC1 ZINC000438771037 530384354 /nfs/dbraw/zinc/38/43/54/530384354.db2.gz JRQUPOWVBVHDDL-UHFFFAOYSA-N 1 2 389.499 -0.323 20 0 GBADLO CC(C)(C)[C@H](CCO)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438802824 1072910916 /nfs/dbraw/zinc/91/09/16/1072910916.db2.gz DNNCWDISOIBPNK-AWEZNQCLSA-N 1 2 381.477 0.067 20 0 GBADLO CC(C)(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438802825 1072911098 /nfs/dbraw/zinc/91/10/98/1072911098.db2.gz DNNCWDISOIBPNK-CQSZACIVSA-N 1 2 381.477 0.067 20 0 GBADLO CCc1c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[nH]c(C)c1C(N)=O ZINC000438828242 1072912858 /nfs/dbraw/zinc/91/28/58/1072912858.db2.gz WDAYKAMYXGZNSV-CYBMUJFWSA-N 1 2 391.472 -0.353 20 0 GBADLO CCc1c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[nH]c(C)c1C(N)=O ZINC000438828243 1072913045 /nfs/dbraw/zinc/91/30/45/1072913045.db2.gz WDAYKAMYXGZNSV-ZDUSSCGKSA-N 1 2 391.472 -0.353 20 0 GBADLO COCC[NH+]1CCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438832366 1072913980 /nfs/dbraw/zinc/91/39/80/1072913980.db2.gz UPFUYFLKRJQVPR-UHFFFAOYSA-N 1 2 375.429 -0.655 20 0 GBADLO O=C(NCCc1ccccc1O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438877624 1072917764 /nfs/dbraw/zinc/91/77/64/1072917764.db2.gz PKTWHPJXEPZUQM-UHFFFAOYSA-N 1 2 387.440 0.218 20 0 GBADLO Cc1[nH]c(=O)sc1S(=O)(=O)NCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC000438880680 530178283 /nfs/dbraw/zinc/17/82/83/530178283.db2.gz BEODMZKAEDQYMZ-UHFFFAOYSA-N 1 2 384.487 0.325 20 0 GBADLO Cc1[nH]c(=O)sc1S(=O)(=O)NCCNc1ncnc2c1C[N@H+](C)CC2 ZINC000438880680 530178279 /nfs/dbraw/zinc/17/82/79/530178279.db2.gz BEODMZKAEDQYMZ-UHFFFAOYSA-N 1 2 384.487 0.325 20 0 GBADLO CC[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCOCC1 ZINC000438881331 1072918627 /nfs/dbraw/zinc/91/86/27/1072918627.db2.gz XNHVYAFWVGCDSH-HNNXBMFYSA-N 1 2 394.476 -0.026 20 0 GBADLO CC[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCOCC1 ZINC000438881334 1072918301 /nfs/dbraw/zinc/91/83/01/1072918301.db2.gz XNHVYAFWVGCDSH-OAHLLOKOSA-N 1 2 394.476 -0.026 20 0 GBADLO CNc1nc(N2C[C@H](C)O[C@H](COC)C2)[nH+]c(N2C[C@H](C)O[C@H](COC)C2)n1 ZINC000438888437 1072919565 /nfs/dbraw/zinc/91/95/65/1072919565.db2.gz CRWBQKXWMIJQOD-AJNGGQMLSA-N 1 2 396.492 -0.185 20 0 GBADLO Cc1c(C(=O)NCC(C)(C)[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438903564 1072920539 /nfs/dbraw/zinc/92/05/39/1072920539.db2.gz QDHAMRJAYYGYRQ-UHFFFAOYSA-N 1 2 389.456 -0.219 20 0 GBADLO Cc1c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438908534 1072920111 /nfs/dbraw/zinc/92/01/11/1072920111.db2.gz VZCHVDNNXWVHKZ-UHFFFAOYSA-N 1 2 389.456 -0.219 20 0 GBADLO Cc1c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438908534 1072920106 /nfs/dbraw/zinc/92/01/06/1072920106.db2.gz VZCHVDNNXWVHKZ-UHFFFAOYSA-N 1 2 389.456 -0.219 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000438991128 530384612 /nfs/dbraw/zinc/38/46/12/530384612.db2.gz BCFCZGSOAMAVBW-MRVPVSSYSA-N 1 2 389.400 -0.719 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000438991129 530384690 /nfs/dbraw/zinc/38/46/90/530384690.db2.gz BCFCZGSOAMAVBW-QMMMGPOBSA-N 1 2 389.400 -0.719 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438999300 1072924652 /nfs/dbraw/zinc/92/46/52/1072924652.db2.gz LOEJSOJLBCRLNI-UHFFFAOYSA-N 1 2 389.456 -0.265 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000439000898 1072924052 /nfs/dbraw/zinc/92/40/52/1072924052.db2.gz OFOGHXFUSPIUDE-GXTWGEPZSA-N 1 2 389.522 -0.091 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000439000903 1072923901 /nfs/dbraw/zinc/92/39/01/1072923901.db2.gz OFOGHXFUSPIUDE-JSGCOSHPSA-N 1 2 389.522 -0.091 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000439000904 1072924313 /nfs/dbraw/zinc/92/43/13/1072924313.db2.gz OFOGHXFUSPIUDE-OCCSQVGLSA-N 1 2 389.522 -0.091 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000439000906 1072924984 /nfs/dbraw/zinc/92/49/84/1072924984.db2.gz OFOGHXFUSPIUDE-TZMCWYRMSA-N 1 2 389.522 -0.091 20 0 GBADLO Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439007114 1072924827 /nfs/dbraw/zinc/92/48/27/1072924827.db2.gz YEESISSYKHYEDN-CHWSQXEVSA-N 1 2 389.456 -0.220 20 0 GBADLO Cc1c(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439007117 1072925093 /nfs/dbraw/zinc/92/50/93/1072925093.db2.gz YEESISSYKHYEDN-OLZOCXBDSA-N 1 2 389.456 -0.220 20 0 GBADLO Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439007119 1072924716 /nfs/dbraw/zinc/92/47/16/1072924716.db2.gz YEESISSYKHYEDN-QWHCGFSZSA-N 1 2 389.456 -0.220 20 0 GBADLO Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439007121 1072924895 /nfs/dbraw/zinc/92/48/95/1072924895.db2.gz YEESISSYKHYEDN-STQMWFEESA-N 1 2 389.456 -0.220 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000439015977 1072926351 /nfs/dbraw/zinc/92/63/51/1072926351.db2.gz VQZFEHCQJUYPRO-LLVKDONJSA-N 1 2 383.474 -0.369 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000439015978 1072926228 /nfs/dbraw/zinc/92/62/28/1072926228.db2.gz VQZFEHCQJUYPRO-NSHDSACASA-N 1 2 383.474 -0.369 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000439024657 530384572 /nfs/dbraw/zinc/38/45/72/530384572.db2.gz YRYXQQFDERFJEM-UHFFFAOYSA-N 1 2 375.495 -0.337 20 0 GBADLO COCCn1cc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cn1 ZINC000439043220 1072927253 /nfs/dbraw/zinc/92/72/53/1072927253.db2.gz WGDQQVKICDACPU-UHFFFAOYSA-N 1 2 399.477 -0.795 20 0 GBADLO Cc1c(C(=O)NCC[N@H+]2CCOCC2(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439084002 1072928674 /nfs/dbraw/zinc/92/86/74/1072928674.db2.gz FLYWISUVGBDIGK-UHFFFAOYSA-N 1 2 389.456 -0.219 20 0 GBADLO Cc1c(C(=O)NCC[N@@H+]2CCOCC2(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439084002 1072928669 /nfs/dbraw/zinc/92/86/69/1072928669.db2.gz FLYWISUVGBDIGK-UHFFFAOYSA-N 1 2 389.456 -0.219 20 0 GBADLO C[C@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Cn1cc[nH+]c1 ZINC000439104171 1072930765 /nfs/dbraw/zinc/93/07/65/1072930765.db2.gz ZWOJOGKYIXHBLZ-RSUGUSAISA-N 1 2 389.416 -0.618 20 0 GBADLO C[C@@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Cn1cc[nH+]c1 ZINC000439104172 1072930513 /nfs/dbraw/zinc/93/05/13/1072930513.db2.gz ZWOJOGKYIXHBLZ-YRGUDCOPSA-N 1 2 389.416 -0.618 20 0 GBADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(c3ncccc3C(N)=O)CC2)C[C@@H](C)O1 ZINC000439157659 1073758325 /nfs/dbraw/zinc/75/83/25/1073758325.db2.gz NVMKVYIBJQCVME-BZUAXINKSA-N 1 2 377.489 -0.227 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ncccc3C(N)=O)CC2)C[C@@H](C)O1 ZINC000439157661 1073758165 /nfs/dbraw/zinc/75/81/65/1073758165.db2.gz NVMKVYIBJQCVME-OAGGEKHMSA-N 1 2 377.489 -0.227 20 0 GBADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(c3ncccc3C(N)=O)CC2)C[C@H](C)O1 ZINC000439157663 1073758286 /nfs/dbraw/zinc/75/82/86/1073758286.db2.gz NVMKVYIBJQCVME-OWCLPIDISA-N 1 2 377.489 -0.227 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ncccc3C(N)=O)CC2)C[C@H](C)O1 ZINC000439157665 1073758032 /nfs/dbraw/zinc/75/80/32/1073758032.db2.gz NVMKVYIBJQCVME-XHSDSOJGSA-N 1 2 377.489 -0.227 20 0 GBADLO Cc1onc(N)c1S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000439218197 1072936471 /nfs/dbraw/zinc/93/64/71/1072936471.db2.gz UVZZQVGQVCUWEL-UHFFFAOYSA-N 1 2 381.462 -0.154 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)NCC(=O)NCCO)c1)[NH+]1CCOCC1 ZINC000439247188 1072937277 /nfs/dbraw/zinc/93/72/77/1072937277.db2.gz NFABYFXJYLJLAY-CYBMUJFWSA-N 1 2 378.429 -0.757 20 0 GBADLO C[C@@H](c1cccc(NC(=O)C(=O)NCC(=O)NCCO)c1)[NH+]1CCOCC1 ZINC000439247190 1072937217 /nfs/dbraw/zinc/93/72/17/1072937217.db2.gz NFABYFXJYLJLAY-ZDUSSCGKSA-N 1 2 378.429 -0.757 20 0 GBADLO O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000439248167 1072937548 /nfs/dbraw/zinc/93/75/48/1072937548.db2.gz OTCHNDOASOOYKH-HNNXBMFYSA-N 1 2 397.501 -0.257 20 0 GBADLO O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000439248167 1072937538 /nfs/dbraw/zinc/93/75/38/1072937538.db2.gz OTCHNDOASOOYKH-HNNXBMFYSA-N 1 2 397.501 -0.257 20 0 GBADLO O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000439248168 1072937206 /nfs/dbraw/zinc/93/72/06/1072937206.db2.gz OTCHNDOASOOYKH-OAHLLOKOSA-N 1 2 397.501 -0.257 20 0 GBADLO O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000439248168 1072937202 /nfs/dbraw/zinc/93/72/02/1072937202.db2.gz OTCHNDOASOOYKH-OAHLLOKOSA-N 1 2 397.501 -0.257 20 0 GBADLO CNC(=O)NC(=O)CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439267781 530384952 /nfs/dbraw/zinc/38/49/52/530384952.db2.gz BWOVXRQMZXSUJG-UHFFFAOYSA-N 1 2 389.400 -0.717 20 0 GBADLO NC(=O)NC(=O)CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439270748 530257582 /nfs/dbraw/zinc/25/75/82/530257582.db2.gz HYKMMFZJSOTJJF-UHFFFAOYSA-N 1 2 375.373 -0.978 20 0 GBADLO O=C1CCC(=O)N1CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439272554 530385004 /nfs/dbraw/zinc/38/50/04/530385004.db2.gz LICTXMSJGXTCIY-UHFFFAOYSA-N 1 2 386.396 -0.414 20 0 GBADLO COC[C@@H]1C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@@H](C)O1 ZINC000439276814 530384945 /nfs/dbraw/zinc/38/49/45/530384945.db2.gz SNAQTXNANZFMTB-CABCVRRESA-N 1 2 379.523 -0.102 20 0 GBADLO COC[C@@H]1C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@@H](C)O1 ZINC000439276814 530384943 /nfs/dbraw/zinc/38/49/43/530384943.db2.gz SNAQTXNANZFMTB-CABCVRRESA-N 1 2 379.523 -0.102 20 0 GBADLO COC[C@@H]1C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H](C)O1 ZINC000439276822 530385048 /nfs/dbraw/zinc/38/50/48/530385048.db2.gz SNAQTXNANZFMTB-GJZGRUSLSA-N 1 2 379.523 -0.102 20 0 GBADLO COC[C@@H]1C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H](C)O1 ZINC000439276822 530385047 /nfs/dbraw/zinc/38/50/47/530385047.db2.gz SNAQTXNANZFMTB-GJZGRUSLSA-N 1 2 379.523 -0.102 20 0 GBADLO COC[C@H]1C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@@H](C)O1 ZINC000439276826 530385069 /nfs/dbraw/zinc/38/50/69/530385069.db2.gz SNAQTXNANZFMTB-HUUCEWRRSA-N 1 2 379.523 -0.102 20 0 GBADLO COC[C@H]1C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@@H](C)O1 ZINC000439276826 530385068 /nfs/dbraw/zinc/38/50/68/530385068.db2.gz SNAQTXNANZFMTB-HUUCEWRRSA-N 1 2 379.523 -0.102 20 0 GBADLO COC[C@H]1C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H](C)O1 ZINC000439276830 530384990 /nfs/dbraw/zinc/38/49/90/530384990.db2.gz SNAQTXNANZFMTB-LSDHHAIUSA-N 1 2 379.523 -0.102 20 0 GBADLO COC[C@H]1C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H](C)O1 ZINC000439276830 530384989 /nfs/dbraw/zinc/38/49/89/530384989.db2.gz SNAQTXNANZFMTB-LSDHHAIUSA-N 1 2 379.523 -0.102 20 0 GBADLO NC(=O)NC(=O)CCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439281638 530384932 /nfs/dbraw/zinc/38/49/32/530384932.db2.gz GOPBLICHCVFNDW-UHFFFAOYSA-N 1 2 389.400 -0.588 20 0 GBADLO CNS(=O)(=O)CCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439281953 530384906 /nfs/dbraw/zinc/38/49/06/530384906.db2.gz XEMWOKYDMGJREE-UHFFFAOYSA-N 1 2 396.457 -0.624 20 0 GBADLO CCOC(=O)[C@](C)(O)C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439283108 530384971 /nfs/dbraw/zinc/38/49/71/530384971.db2.gz DUEOENPVLHFTPK-GFCCVEGCSA-N 1 2 391.412 -0.249 20 0 GBADLO CCOC(=O)[C@@](C)(O)C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439283125 530384912 /nfs/dbraw/zinc/38/49/12/530384912.db2.gz DUEOENPVLHFTPK-LBPRGKRZSA-N 1 2 391.412 -0.249 20 0 GBADLO NS(=O)(=O)CCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439288666 530385132 /nfs/dbraw/zinc/38/51/32/530385132.db2.gz XMXMYVPSAGGHFB-UHFFFAOYSA-N 1 2 382.430 -0.884 20 0 GBADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000439289172 530385084 /nfs/dbraw/zinc/38/50/84/530385084.db2.gz IBZYWZYZBKGBMC-UHFFFAOYSA-N 1 2 375.413 -0.021 20 0 GBADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000439290626 530385139 /nfs/dbraw/zinc/38/51/39/530385139.db2.gz ZTQCLQPRVMPLJT-GFCCVEGCSA-N 1 2 385.412 -0.305 20 0 GBADLO O=S(=O)(NCC(F)(F)F)NC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000439290627 530385078 /nfs/dbraw/zinc/38/50/78/530385078.db2.gz ZTQCLQPRVMPLJT-LBPRGKRZSA-N 1 2 385.412 -0.305 20 0 GBADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000439315543 1072941879 /nfs/dbraw/zinc/94/18/79/1072941879.db2.gz JKCGVWWFZINJPB-GFCCVEGCSA-N 1 2 378.433 -0.483 20 0 GBADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000439315543 1072941874 /nfs/dbraw/zinc/94/18/74/1072941874.db2.gz JKCGVWWFZINJPB-GFCCVEGCSA-N 1 2 378.433 -0.483 20 0 GBADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000439315544 1072941509 /nfs/dbraw/zinc/94/15/09/1072941509.db2.gz JKCGVWWFZINJPB-LBPRGKRZSA-N 1 2 378.433 -0.483 20 0 GBADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000439315544 1072941505 /nfs/dbraw/zinc/94/15/05/1072941505.db2.gz JKCGVWWFZINJPB-LBPRGKRZSA-N 1 2 378.433 -0.483 20 0 GBADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000439328980 1072943828 /nfs/dbraw/zinc/94/38/28/1072943828.db2.gz XZZSFZBYXXTVEZ-GFCCVEGCSA-N 1 2 392.460 -0.047 20 0 GBADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000439328980 1072943821 /nfs/dbraw/zinc/94/38/21/1072943821.db2.gz XZZSFZBYXXTVEZ-GFCCVEGCSA-N 1 2 392.460 -0.047 20 0 GBADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000439328981 1072944122 /nfs/dbraw/zinc/94/41/22/1072944122.db2.gz XZZSFZBYXXTVEZ-LBPRGKRZSA-N 1 2 392.460 -0.047 20 0 GBADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000439328981 1072944115 /nfs/dbraw/zinc/94/41/15/1072944115.db2.gz XZZSFZBYXXTVEZ-LBPRGKRZSA-N 1 2 392.460 -0.047 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000439341273 1072944679 /nfs/dbraw/zinc/94/46/79/1072944679.db2.gz ABLVHLRUHBHPKY-HNNXBMFYSA-N 1 2 392.460 -0.719 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000439341274 1072944756 /nfs/dbraw/zinc/94/47/56/1072944756.db2.gz ABLVHLRUHBHPKY-OAHLLOKOSA-N 1 2 392.460 -0.719 20 0 GBADLO NC(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000439364605 1072948020 /nfs/dbraw/zinc/94/80/20/1072948020.db2.gz YYYLIABAUKDVQL-CYBMUJFWSA-N 1 2 375.429 -0.168 20 0 GBADLO NC(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000439364606 1072947776 /nfs/dbraw/zinc/94/77/76/1072947776.db2.gz YYYLIABAUKDVQL-ZDUSSCGKSA-N 1 2 375.429 -0.168 20 0 GBADLO NC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000439370250 1072946770 /nfs/dbraw/zinc/94/67/70/1072946770.db2.gz MEYHCOQIHKFPAL-AWEZNQCLSA-N 1 2 378.433 -0.980 20 0 GBADLO NC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000439370251 1072947087 /nfs/dbraw/zinc/94/70/87/1072947087.db2.gz MEYHCOQIHKFPAL-CQSZACIVSA-N 1 2 378.433 -0.980 20 0 GBADLO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)nn1C ZINC000439436683 1072951235 /nfs/dbraw/zinc/95/12/35/1072951235.db2.gz HUPMPCMYEZPQRD-AWEZNQCLSA-N 1 2 385.472 0.389 20 0 GBADLO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)nn1C ZINC000439436684 1072951055 /nfs/dbraw/zinc/95/10/55/1072951055.db2.gz HUPMPCMYEZPQRD-CQSZACIVSA-N 1 2 385.472 0.389 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C)n(C)n2)CC1 ZINC000439485715 1072953898 /nfs/dbraw/zinc/95/38/98/1072953898.db2.gz UGTHVIUMQIFXQS-UHFFFAOYSA-N 1 2 378.477 0.070 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C)n(C)n2)CC1 ZINC000439485715 1072953895 /nfs/dbraw/zinc/95/38/95/1072953895.db2.gz UGTHVIUMQIFXQS-UHFFFAOYSA-N 1 2 378.477 0.070 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nn1C ZINC000439486605 1072952356 /nfs/dbraw/zinc/95/23/56/1072952356.db2.gz XOODTOFQSMCMFV-UHFFFAOYSA-N 1 2 376.461 -0.176 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nn1C ZINC000439486605 1072952352 /nfs/dbraw/zinc/95/23/52/1072952352.db2.gz XOODTOFQSMCMFV-UHFFFAOYSA-N 1 2 376.461 -0.176 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000439501272 1072953755 /nfs/dbraw/zinc/95/37/55/1072953755.db2.gz NUUXXAYIOFMPFT-AWEZNQCLSA-N 1 2 399.451 -0.049 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000439501273 1072953954 /nfs/dbraw/zinc/95/39/54/1072953954.db2.gz NUUXXAYIOFMPFT-CQSZACIVSA-N 1 2 399.451 -0.049 20 0 GBADLO Cn1c[nH+]cc1COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000439545913 1072955660 /nfs/dbraw/zinc/95/56/60/1072955660.db2.gz FKTOMIHUBGRGQK-UHFFFAOYSA-N 1 2 378.414 -0.186 20 0 GBADLO CCCN(CC(C)(C)O)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439591581 1072959038 /nfs/dbraw/zinc/95/90/38/1072959038.db2.gz BLVGDLODGXSPSG-UHFFFAOYSA-N 1 2 381.477 0.163 20 0 GBADLO C[C@H](CNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)S(N)(=O)=O ZINC000439619398 1072960131 /nfs/dbraw/zinc/96/01/31/1072960131.db2.gz GAMJQAPKXMHZEH-CHWSQXEVSA-N 1 2 398.485 -0.189 20 0 GBADLO C[C@H](CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)S(N)(=O)=O ZINC000439619404 1072959815 /nfs/dbraw/zinc/95/98/15/1072959815.db2.gz GAMJQAPKXMHZEH-OLZOCXBDSA-N 1 2 398.485 -0.189 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000439619408 1072960233 /nfs/dbraw/zinc/96/02/33/1072960233.db2.gz GAMJQAPKXMHZEH-QWHCGFSZSA-N 1 2 398.485 -0.189 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)S(N)(=O)=O ZINC000439619411 1072960221 /nfs/dbraw/zinc/96/02/21/1072960221.db2.gz GAMJQAPKXMHZEH-STQMWFEESA-N 1 2 398.485 -0.189 20 0 GBADLO CNS(=O)(=O)CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000439636851 1072960669 /nfs/dbraw/zinc/96/06/69/1072960669.db2.gz DWIOSDCTQCLZDO-INIZCTEOSA-N 1 2 384.502 -0.222 20 0 GBADLO CNS(=O)(=O)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000439636852 1072960720 /nfs/dbraw/zinc/96/07/20/1072960720.db2.gz DWIOSDCTQCLZDO-MRXNPFEDSA-N 1 2 384.502 -0.222 20 0 GBADLO CNS(=O)(=O)CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439674184 1072963367 /nfs/dbraw/zinc/96/33/67/1072963367.db2.gz PFZSONSXJYSQES-UHFFFAOYSA-N 1 2 384.462 -0.860 20 0 GBADLO O=S(=O)(CCNc1nccn2cnnc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000439714095 1072964492 /nfs/dbraw/zinc/96/44/92/1072964492.db2.gz KAZRMYJNIVUXLV-UHFFFAOYSA-N 1 2 388.457 0.083 20 0 GBADLO O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000439845406 1072973491 /nfs/dbraw/zinc/97/34/91/1072973491.db2.gz YWMUQPSEVNRIDX-UHFFFAOYSA-N 1 2 395.847 -0.055 20 0 GBADLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000439910852 1072978165 /nfs/dbraw/zinc/97/81/65/1072978165.db2.gz RNTRCNNTUOGVEX-INIZCTEOSA-N 1 2 389.474 -0.349 20 0 GBADLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000439910853 1072977920 /nfs/dbraw/zinc/97/79/20/1072977920.db2.gz RNTRCNNTUOGVEX-MRXNPFEDSA-N 1 2 389.474 -0.349 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439999734 1072982408 /nfs/dbraw/zinc/98/24/08/1072982408.db2.gz BVEDWIYCFVCVJD-INIZCTEOSA-N 1 2 390.440 -0.487 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439999736 1072982740 /nfs/dbraw/zinc/98/27/40/1072982740.db2.gz BVEDWIYCFVCVJD-MRXNPFEDSA-N 1 2 390.440 -0.487 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)C1 ZINC000440020753 530386064 /nfs/dbraw/zinc/38/60/64/530386064.db2.gz SVEORTHFBOOTSK-LLVKDONJSA-N 1 2 388.412 -0.706 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)C1 ZINC000440020753 530386062 /nfs/dbraw/zinc/38/60/62/530386062.db2.gz SVEORTHFBOOTSK-LLVKDONJSA-N 1 2 388.412 -0.706 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)C1 ZINC000440020754 530386188 /nfs/dbraw/zinc/38/61/88/530386188.db2.gz SVEORTHFBOOTSK-NSHDSACASA-N 1 2 388.412 -0.706 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)C1 ZINC000440020754 530386187 /nfs/dbraw/zinc/38/61/87/530386187.db2.gz SVEORTHFBOOTSK-NSHDSACASA-N 1 2 388.412 -0.706 20 0 GBADLO COCn1nccc1S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000440055339 1072985524 /nfs/dbraw/zinc/98/55/24/1072985524.db2.gz QVDHKEOUTVDVAQ-UHFFFAOYSA-N 1 2 395.489 -0.232 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCC1(CO)CCOCC1 ZINC000440075911 1072986925 /nfs/dbraw/zinc/98/69/25/1072986925.db2.gz UFRRVILQHFYROH-UHFFFAOYSA-N 1 2 378.477 -0.313 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000440084322 530386268 /nfs/dbraw/zinc/38/62/68/530386268.db2.gz ZOYMEZQEIACFES-NEPJUHHUSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000440084322 530386266 /nfs/dbraw/zinc/38/62/66/530386266.db2.gz ZOYMEZQEIACFES-NEPJUHHUSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000440084323 530386253 /nfs/dbraw/zinc/38/62/53/530386253.db2.gz ZOYMEZQEIACFES-NWDGAFQWSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000440084323 530386252 /nfs/dbraw/zinc/38/62/52/530386252.db2.gz ZOYMEZQEIACFES-NWDGAFQWSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000440084324 530386228 /nfs/dbraw/zinc/38/62/28/530386228.db2.gz ZOYMEZQEIACFES-RYUDHWBXSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000440084324 530386227 /nfs/dbraw/zinc/38/62/27/530386227.db2.gz ZOYMEZQEIACFES-RYUDHWBXSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000440084325 530386213 /nfs/dbraw/zinc/38/62/13/530386213.db2.gz ZOYMEZQEIACFES-VXGBXAGGSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000440084325 530386212 /nfs/dbraw/zinc/38/62/12/530386212.db2.gz ZOYMEZQEIACFES-VXGBXAGGSA-N 1 2 377.488 -0.590 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCO1 ZINC000440136430 1072991029 /nfs/dbraw/zinc/99/10/29/1072991029.db2.gz NDMYVIFXPNZHGU-HNNXBMFYSA-N 1 2 379.461 0.181 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCO1 ZINC000440136432 1072991256 /nfs/dbraw/zinc/99/12/56/1072991256.db2.gz NDMYVIFXPNZHGU-OAHLLOKOSA-N 1 2 379.461 0.181 20 0 GBADLO CNS(=O)(=O)CCNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000440151109 530386171 /nfs/dbraw/zinc/38/61/71/530386171.db2.gz OOCKLRKNFKJNPW-UHFFFAOYSA-N 1 2 377.488 -0.699 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@H](CO)C(C)(C)C)ccn2)CC1 ZINC000440229084 1072994117 /nfs/dbraw/zinc/99/41/17/1072994117.db2.gz CBRFUNLYKMSHIK-OAHLLOKOSA-N 1 2 391.472 -0.069 20 0 GBADLO Cc1cc(O)cc(=O)n1CCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000440264919 1072999253 /nfs/dbraw/zinc/99/92/53/1072999253.db2.gz KOODYDZAYUVJQX-UHFFFAOYSA-N 1 2 386.456 -0.019 20 0 GBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000440265960 1072997096 /nfs/dbraw/zinc/99/70/96/1072997096.db2.gz LSRWWRKNLQEOOS-GFCCVEGCSA-N 1 2 376.413 -0.310 20 0 GBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000440265960 1072997086 /nfs/dbraw/zinc/99/70/86/1072997086.db2.gz LSRWWRKNLQEOOS-GFCCVEGCSA-N 1 2 376.413 -0.310 20 0 GBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000440265965 1072996983 /nfs/dbraw/zinc/99/69/83/1072996983.db2.gz LSRWWRKNLQEOOS-LBPRGKRZSA-N 1 2 376.413 -0.310 20 0 GBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000440265965 1072996973 /nfs/dbraw/zinc/99/69/73/1072996973.db2.gz LSRWWRKNLQEOOS-LBPRGKRZSA-N 1 2 376.413 -0.310 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000440268922 1072997906 /nfs/dbraw/zinc/99/79/06/1072997906.db2.gz HFVSTUXYQPYDII-CYBMUJFWSA-N 1 2 375.429 -0.146 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000440268926 1072997755 /nfs/dbraw/zinc/99/77/55/1072997755.db2.gz HFVSTUXYQPYDII-ZDUSSCGKSA-N 1 2 375.429 -0.146 20 0 GBADLO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000440283428 1073002715 /nfs/dbraw/zinc/00/27/15/1073002715.db2.gz ODUSBVCKZISWFS-CYBMUJFWSA-N 1 2 398.485 -0.288 20 0 GBADLO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000440283428 1073002707 /nfs/dbraw/zinc/00/27/07/1073002707.db2.gz ODUSBVCKZISWFS-CYBMUJFWSA-N 1 2 398.485 -0.288 20 0 GBADLO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000440283431 1073002543 /nfs/dbraw/zinc/00/25/43/1073002543.db2.gz ODUSBVCKZISWFS-ZDUSSCGKSA-N 1 2 398.485 -0.288 20 0 GBADLO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000440283431 1073002541 /nfs/dbraw/zinc/00/25/41/1073002541.db2.gz ODUSBVCKZISWFS-ZDUSSCGKSA-N 1 2 398.485 -0.288 20 0 GBADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000440286161 1073000320 /nfs/dbraw/zinc/00/03/20/1073000320.db2.gz WDYFGDXLZSNVIM-AWEZNQCLSA-N 1 2 391.476 -0.218 20 0 GBADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000440286161 1073000310 /nfs/dbraw/zinc/00/03/10/1073000310.db2.gz WDYFGDXLZSNVIM-AWEZNQCLSA-N 1 2 391.476 -0.218 20 0 GBADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000440286166 1072999852 /nfs/dbraw/zinc/99/98/52/1072999852.db2.gz WDYFGDXLZSNVIM-CQSZACIVSA-N 1 2 391.476 -0.218 20 0 GBADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000440286166 1072999844 /nfs/dbraw/zinc/99/98/44/1072999844.db2.gz WDYFGDXLZSNVIM-CQSZACIVSA-N 1 2 391.476 -0.218 20 0 GBADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000440286213 1073000163 /nfs/dbraw/zinc/00/01/63/1073000163.db2.gz WKAHQBDYLOSBLA-CYBMUJFWSA-N 1 2 390.440 -0.381 20 0 GBADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000440286213 1073000153 /nfs/dbraw/zinc/00/01/53/1073000153.db2.gz WKAHQBDYLOSBLA-CYBMUJFWSA-N 1 2 390.440 -0.381 20 0 GBADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000440286215 1073000205 /nfs/dbraw/zinc/00/02/05/1073000205.db2.gz WKAHQBDYLOSBLA-ZDUSSCGKSA-N 1 2 390.440 -0.381 20 0 GBADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000440286215 1073000195 /nfs/dbraw/zinc/00/01/95/1073000195.db2.gz WKAHQBDYLOSBLA-ZDUSSCGKSA-N 1 2 390.440 -0.381 20 0 GBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)cc(S(C)(=O)=O)c1 ZINC000440298700 1073001525 /nfs/dbraw/zinc/00/15/25/1073001525.db2.gz VXKBCQBMPUJJGI-LLVKDONJSA-N 1 2 397.453 -0.022 20 0 GBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)cc(S(C)(=O)=O)c1 ZINC000440298700 1073001519 /nfs/dbraw/zinc/00/15/19/1073001519.db2.gz VXKBCQBMPUJJGI-LLVKDONJSA-N 1 2 397.453 -0.022 20 0 GBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc(S(C)(=O)=O)c1 ZINC000440298702 1073001718 /nfs/dbraw/zinc/00/17/18/1073001718.db2.gz VXKBCQBMPUJJGI-NSHDSACASA-N 1 2 397.453 -0.022 20 0 GBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cc(S(C)(=O)=O)c1 ZINC000440298702 1073001709 /nfs/dbraw/zinc/00/17/09/1073001709.db2.gz VXKBCQBMPUJJGI-NSHDSACASA-N 1 2 397.453 -0.022 20 0 GBADLO COCCC[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000440318553 530386391 /nfs/dbraw/zinc/38/63/91/530386391.db2.gz VFFMYIKKEGDXSU-CYBMUJFWSA-N 1 2 394.519 -0.776 20 0 GBADLO COCCC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000440318553 530386389 /nfs/dbraw/zinc/38/63/89/530386389.db2.gz VFFMYIKKEGDXSU-CYBMUJFWSA-N 1 2 394.519 -0.776 20 0 GBADLO COCCC[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000440318557 530386625 /nfs/dbraw/zinc/38/66/25/530386625.db2.gz VFFMYIKKEGDXSU-ZDUSSCGKSA-N 1 2 394.519 -0.776 20 0 GBADLO COCCC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000440318557 530386624 /nfs/dbraw/zinc/38/66/24/530386624.db2.gz VFFMYIKKEGDXSU-ZDUSSCGKSA-N 1 2 394.519 -0.776 20 0 GBADLO NS(=O)(=O)CCN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000440334799 530386461 /nfs/dbraw/zinc/38/64/61/530386461.db2.gz DNCQPMHZXDRNCQ-AWEZNQCLSA-N 1 2 377.894 -0.014 20 0 GBADLO NS(=O)(=O)CCN1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000440334800 530386466 /nfs/dbraw/zinc/38/64/66/530386466.db2.gz DNCQPMHZXDRNCQ-CQSZACIVSA-N 1 2 377.894 -0.014 20 0 GBADLO NS(=O)(=O)CCN1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000440346313 1073004744 /nfs/dbraw/zinc/00/47/44/1073004744.db2.gz UMCJMYPLRHFLPQ-CYBMUJFWSA-N 1 2 387.458 -0.939 20 0 GBADLO NS(=O)(=O)CCN1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000440346320 1073005382 /nfs/dbraw/zinc/00/53/82/1073005382.db2.gz UMCJMYPLRHFLPQ-ZDUSSCGKSA-N 1 2 387.458 -0.939 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N[C@@H](CO)C(C)(C)C)ccn2)CC1 ZINC000440395334 1073011225 /nfs/dbraw/zinc/01/12/25/1073011225.db2.gz CBRFUNLYKMSHIK-HNNXBMFYSA-N 1 2 391.472 -0.069 20 0 GBADLO O[C@H](CN1CCN(Cc2nnnn2-c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000440409114 1073011480 /nfs/dbraw/zinc/01/14/80/1073011480.db2.gz ZGMVKVHTNPJZNA-GOSISDBHSA-N 1 2 387.488 -0.527 20 0 GBADLO O[C@@H](CN1CCN(Cc2nnnn2-c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000440409117 1073011263 /nfs/dbraw/zinc/01/12/63/1073011263.db2.gz ZGMVKVHTNPJZNA-SFHVURJKSA-N 1 2 387.488 -0.527 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CNC(=O)C3)c2)CC1 ZINC000440476485 1073036378 /nfs/dbraw/zinc/03/63/78/1073036378.db2.gz VZGLJUGEYJGQIU-INIZCTEOSA-N 1 2 387.440 -0.706 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CNC(=O)C3)c2)CC1 ZINC000440476486 1073036256 /nfs/dbraw/zinc/03/62/56/1073036256.db2.gz VZGLJUGEYJGQIU-MRXNPFEDSA-N 1 2 387.440 -0.706 20 0 GBADLO COC1(C)CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000440498682 1073058849 /nfs/dbraw/zinc/05/88/49/1073058849.db2.gz KPMWWELPUQJJBM-UHFFFAOYSA-N 1 2 375.429 -0.345 20 0 GBADLO CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCCC[C@H]1O ZINC000440507942 1073074907 /nfs/dbraw/zinc/07/49/07/1073074907.db2.gz GOLOFDQNSIQNFN-HZPDHXFCSA-N 1 2 379.461 -0.084 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CNC(=O)C3)cc2)CC1 ZINC000440528819 1073082031 /nfs/dbraw/zinc/08/20/31/1073082031.db2.gz CPNCILYGBJWOFG-INIZCTEOSA-N 1 2 387.440 -0.706 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CNC(=O)C3)cc2)CC1 ZINC000440528820 1073082520 /nfs/dbraw/zinc/08/25/20/1073082520.db2.gz CPNCILYGBJWOFG-MRXNPFEDSA-N 1 2 387.440 -0.706 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2CNC(=O)C2)CC1 ZINC000440531034 1073082429 /nfs/dbraw/zinc/08/24/29/1073082429.db2.gz IJBRQQGBSLXVIZ-HNNXBMFYSA-N 1 2 387.440 -0.706 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CNC(=O)C2)CC1 ZINC000440531037 1073082154 /nfs/dbraw/zinc/08/21/54/1073082154.db2.gz IJBRQQGBSLXVIZ-OAHLLOKOSA-N 1 2 387.440 -0.706 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1(C(N)=O)CC1 ZINC000440537510 530386925 /nfs/dbraw/zinc/38/69/25/530386925.db2.gz WFTHMSHIKJWHSC-UHFFFAOYSA-N 1 2 375.472 -0.682 20 0 GBADLO CS(=O)(=O)NCc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)o1 ZINC000440540631 1073083385 /nfs/dbraw/zinc/08/33/85/1073083385.db2.gz RKZMTGWZOLNCEA-UHFFFAOYSA-N 1 2 397.457 0.110 20 0 GBADLO CCC[C@H]1C[N@@H+](CCNS(=O)(=O)CC)CCN1CCNS(=O)(=O)CC ZINC000440556682 530386999 /nfs/dbraw/zinc/38/69/99/530386999.db2.gz AXVZJVILKQSTHX-HNNXBMFYSA-N 1 2 398.595 -0.349 20 0 GBADLO CCC[C@H]1C[N@H+](CCNS(=O)(=O)CC)CCN1CCNS(=O)(=O)CC ZINC000440556682 530386998 /nfs/dbraw/zinc/38/69/98/530386998.db2.gz AXVZJVILKQSTHX-HNNXBMFYSA-N 1 2 398.595 -0.349 20 0 GBADLO CCC[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)CCN1CCNS(=O)(=O)CC ZINC000440556683 530386796 /nfs/dbraw/zinc/38/67/96/530386796.db2.gz AXVZJVILKQSTHX-OAHLLOKOSA-N 1 2 398.595 -0.349 20 0 GBADLO CCC[C@@H]1C[N@H+](CCNS(=O)(=O)CC)CCN1CCNS(=O)(=O)CC ZINC000440556683 530386794 /nfs/dbraw/zinc/38/67/94/530386794.db2.gz AXVZJVILKQSTHX-OAHLLOKOSA-N 1 2 398.595 -0.349 20 0 GBADLO CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC000440568761 1073084875 /nfs/dbraw/zinc/08/48/75/1073084875.db2.gz AQYRAYYELJUSIB-AWEZNQCLSA-N 1 2 392.460 -0.767 20 0 GBADLO CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC000440568763 1073084934 /nfs/dbraw/zinc/08/49/34/1073084934.db2.gz AQYRAYYELJUSIB-CQSZACIVSA-N 1 2 392.460 -0.767 20 0 GBADLO Nc1nsc(N2CC[NH+](CCOc3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC000440570585 530180332 /nfs/dbraw/zinc/18/03/32/530180332.db2.gz IYBLMOLAZWBBLB-UHFFFAOYSA-N 1 2 384.487 -0.031 20 0 GBADLO COc1cccc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000440649185 1073087292 /nfs/dbraw/zinc/08/72/92/1073087292.db2.gz KXPVBMXKJUKMPS-HNNXBMFYSA-N 1 2 376.457 -0.070 20 0 GBADLO COc1cccc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000440649186 1073087392 /nfs/dbraw/zinc/08/73/92/1073087392.db2.gz KXPVBMXKJUKMPS-OAHLLOKOSA-N 1 2 376.457 -0.070 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1S(N)(=O)=O ZINC000440654526 530386840 /nfs/dbraw/zinc/38/68/40/530386840.db2.gz NEARESHYMYSRCF-GFCCVEGCSA-N 1 2 390.487 -0.666 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1S(N)(=O)=O ZINC000440654526 530386838 /nfs/dbraw/zinc/38/68/38/530386838.db2.gz NEARESHYMYSRCF-GFCCVEGCSA-N 1 2 390.487 -0.666 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1S(N)(=O)=O ZINC000440654529 530386988 /nfs/dbraw/zinc/38/69/88/530386988.db2.gz NEARESHYMYSRCF-LBPRGKRZSA-N 1 2 390.487 -0.666 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1S(N)(=O)=O ZINC000440654529 530386987 /nfs/dbraw/zinc/38/69/87/530386987.db2.gz NEARESHYMYSRCF-LBPRGKRZSA-N 1 2 390.487 -0.666 20 0 GBADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000440658334 1073090589 /nfs/dbraw/zinc/09/05/89/1073090589.db2.gz ZJZYDUYWDZIDBF-CVEARBPZSA-N 1 2 395.481 -0.134 20 0 GBADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000440658334 1073090577 /nfs/dbraw/zinc/09/05/77/1073090577.db2.gz ZJZYDUYWDZIDBF-CVEARBPZSA-N 1 2 395.481 -0.134 20 0 GBADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440658335 1073090097 /nfs/dbraw/zinc/09/00/97/1073090097.db2.gz ZJZYDUYWDZIDBF-HOTGVXAUSA-N 1 2 395.481 -0.134 20 0 GBADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440658335 1073090089 /nfs/dbraw/zinc/09/00/89/1073090089.db2.gz ZJZYDUYWDZIDBF-HOTGVXAUSA-N 1 2 395.481 -0.134 20 0 GBADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000440658336 1073090647 /nfs/dbraw/zinc/09/06/47/1073090647.db2.gz ZJZYDUYWDZIDBF-HZPDHXFCSA-N 1 2 395.481 -0.134 20 0 GBADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000440658336 1073090630 /nfs/dbraw/zinc/09/06/30/1073090630.db2.gz ZJZYDUYWDZIDBF-HZPDHXFCSA-N 1 2 395.481 -0.134 20 0 GBADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440658337 1073090730 /nfs/dbraw/zinc/09/07/30/1073090730.db2.gz ZJZYDUYWDZIDBF-JKSUJKDBSA-N 1 2 395.481 -0.134 20 0 GBADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000440658337 1073090717 /nfs/dbraw/zinc/09/07/17/1073090717.db2.gz ZJZYDUYWDZIDBF-JKSUJKDBSA-N 1 2 395.481 -0.134 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCSC[C@@H]1CO ZINC000440668747 1073089606 /nfs/dbraw/zinc/08/96/06/1073089606.db2.gz LCQGDOGCXXRODF-AWEZNQCLSA-N 1 2 383.474 -0.910 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCSC[C@H]1CO ZINC000440668750 1073089433 /nfs/dbraw/zinc/08/94/33/1073089433.db2.gz LCQGDOGCXXRODF-CQSZACIVSA-N 1 2 383.474 -0.910 20 0 GBADLO CNC(=O)CC[N@@H+](C)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440700533 530387454 /nfs/dbraw/zinc/38/74/54/530387454.db2.gz GHOXIXFWQSYERG-UHFFFAOYSA-N 1 2 391.515 -0.222 20 0 GBADLO CNC(=O)CC[N@H+](C)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440700533 530387452 /nfs/dbraw/zinc/38/74/52/530387452.db2.gz GHOXIXFWQSYERG-UHFFFAOYSA-N 1 2 391.515 -0.222 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@@H+](CCO)CCCO ZINC000440707856 530387150 /nfs/dbraw/zinc/38/71/50/530387150.db2.gz ZEHOWVPUTYRUND-UHFFFAOYSA-N 1 2 394.515 -0.613 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@H+](CCO)CCCO ZINC000440707856 530387147 /nfs/dbraw/zinc/38/71/47/530387147.db2.gz ZEHOWVPUTYRUND-UHFFFAOYSA-N 1 2 394.515 -0.613 20 0 GBADLO COCC[N@@H+](CCO)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440717038 530270355 /nfs/dbraw/zinc/27/03/55/530270355.db2.gz UGYWUMXUAYVXDZ-UHFFFAOYSA-N 1 2 394.515 -0.349 20 0 GBADLO COCC[N@H+](CCO)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440717038 530270354 /nfs/dbraw/zinc/27/03/54/530270354.db2.gz UGYWUMXUAYVXDZ-UHFFFAOYSA-N 1 2 394.515 -0.349 20 0 GBADLO Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)n[nH]1 ZINC000440746872 1073095683 /nfs/dbraw/zinc/09/56/83/1073095683.db2.gz KMWBQGXGDIFCEI-UHFFFAOYSA-N 1 2 395.427 -0.023 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC)CC1(C)C ZINC000440752117 1073095715 /nfs/dbraw/zinc/09/57/15/1073095715.db2.gz YHPOMYBGPATDDO-CHWSQXEVSA-N 1 2 398.508 -0.149 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC)CC1(C)C ZINC000440752117 1073095707 /nfs/dbraw/zinc/09/57/07/1073095707.db2.gz YHPOMYBGPATDDO-CHWSQXEVSA-N 1 2 398.508 -0.149 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN([C@@H](C)C(=O)NC(=O)NCC)C(C)(C)C1 ZINC000440752120 1073095750 /nfs/dbraw/zinc/09/57/50/1073095750.db2.gz YHPOMYBGPATDDO-OLZOCXBDSA-N 1 2 398.508 -0.149 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN([C@@H](C)C(=O)NC(=O)NCC)C(C)(C)C1 ZINC000440752120 1073095739 /nfs/dbraw/zinc/09/57/39/1073095739.db2.gz YHPOMYBGPATDDO-OLZOCXBDSA-N 1 2 398.508 -0.149 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)CC1(C)C ZINC000440752122 1073094979 /nfs/dbraw/zinc/09/49/79/1073094979.db2.gz YHPOMYBGPATDDO-QWHCGFSZSA-N 1 2 398.508 -0.149 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)CC1(C)C ZINC000440752122 1073094976 /nfs/dbraw/zinc/09/49/76/1073094976.db2.gz YHPOMYBGPATDDO-QWHCGFSZSA-N 1 2 398.508 -0.149 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)CC1(C)C ZINC000440752124 1073095985 /nfs/dbraw/zinc/09/59/85/1073095985.db2.gz YHPOMYBGPATDDO-STQMWFEESA-N 1 2 398.508 -0.149 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)N1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)CC1(C)C ZINC000440752124 1073095975 /nfs/dbraw/zinc/09/59/75/1073095975.db2.gz YHPOMYBGPATDDO-STQMWFEESA-N 1 2 398.508 -0.149 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)N=NC2C1 ZINC000440758005 1073093993 /nfs/dbraw/zinc/09/39/93/1073093993.db2.gz QMBIXADTXHGJMM-UHFFFAOYSA-N 1 2 387.400 -0.495 20 0 GBADLO C[C@@H]1N(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCOC1(C)C ZINC000440783380 1073097090 /nfs/dbraw/zinc/09/70/90/1073097090.db2.gz FAZMHTMPEJDZKS-AWEZNQCLSA-N 1 2 379.461 0.180 20 0 GBADLO C[C@H]1N(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCOC1(C)C ZINC000440783381 1073097497 /nfs/dbraw/zinc/09/74/97/1073097497.db2.gz FAZMHTMPEJDZKS-CQSZACIVSA-N 1 2 379.461 0.180 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)N=NC4C3)c2)CC1 ZINC000440787961 1073097717 /nfs/dbraw/zinc/09/77/17/1073097717.db2.gz UBYVUSWBEOYPTQ-UHFFFAOYSA-N 1 2 399.455 -0.288 20 0 GBADLO Cn1ncc2c1nnn(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c2=O ZINC000440844191 1073099193 /nfs/dbraw/zinc/09/91/93/1073099193.db2.gz MQSDFKQXXFJAHN-UHFFFAOYSA-N 1 2 397.439 -0.326 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000440976501 1073102390 /nfs/dbraw/zinc/10/23/90/1073102390.db2.gz AAVBKSLSZHWNQL-INIZCTEOSA-N 1 2 391.472 -0.228 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000440976503 1073102627 /nfs/dbraw/zinc/10/26/27/1073102627.db2.gz AAVBKSLSZHWNQL-MRXNPFEDSA-N 1 2 391.472 -0.228 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000440977207 1073102483 /nfs/dbraw/zinc/10/24/83/1073102483.db2.gz BANDQJAUYHXKAQ-JTQLQIEISA-N 1 2 393.366 -0.471 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000440977208 1073102562 /nfs/dbraw/zinc/10/25/62/1073102562.db2.gz BANDQJAUYHXKAQ-SNVBAGLBSA-N 1 2 393.366 -0.471 20 0 GBADLO CC(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440977640 1073102149 /nfs/dbraw/zinc/10/21/49/1073102149.db2.gz BAZISJBTJNGUCZ-INIZCTEOSA-N 1 2 378.429 -0.265 20 0 GBADLO CC(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440977641 1073102289 /nfs/dbraw/zinc/10/22/89/1073102289.db2.gz BAZISJBTJNGUCZ-MRXNPFEDSA-N 1 2 378.429 -0.265 20 0 GBADLO CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440977655 1073102579 /nfs/dbraw/zinc/10/25/79/1073102579.db2.gz BECDTXGQPVANKB-AWEZNQCLSA-N 1 2 396.419 -0.126 20 0 GBADLO CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440977656 1073102633 /nfs/dbraw/zinc/10/26/33/1073102633.db2.gz BECDTXGQPVANKB-CQSZACIVSA-N 1 2 396.419 -0.126 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000440977824 1073102243 /nfs/dbraw/zinc/10/22/43/1073102243.db2.gz CAGRVJZADUSVRS-HNNXBMFYSA-N 1 2 388.428 -0.643 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000440977828 1073102493 /nfs/dbraw/zinc/10/24/93/1073102493.db2.gz CAGRVJZADUSVRS-OAHLLOKOSA-N 1 2 388.428 -0.643 20 0 GBADLO C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000440978448 1073102434 /nfs/dbraw/zinc/10/24/34/1073102434.db2.gz CYMOMNDIPYWZPI-BBRMVZONSA-N 1 2 379.461 -0.056 20 0 GBADLO C[C@H](C1CC1)n1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000440978450 1073102660 /nfs/dbraw/zinc/10/26/60/1073102660.db2.gz CYMOMNDIPYWZPI-CJNGLKHVSA-N 1 2 379.461 -0.056 20 0 GBADLO C[C@H](C1CC1)n1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000440978452 1073102265 /nfs/dbraw/zinc/10/22/65/1073102265.db2.gz CYMOMNDIPYWZPI-CZUORRHYSA-N 1 2 379.461 -0.056 20 0 GBADLO C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000440978454 1073102588 /nfs/dbraw/zinc/10/25/88/1073102588.db2.gz CYMOMNDIPYWZPI-XJKSGUPXSA-N 1 2 379.461 -0.056 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000440979132 1073102423 /nfs/dbraw/zinc/10/24/23/1073102423.db2.gz CIXODICDCSITDH-HNNXBMFYSA-N 1 2 387.440 -0.038 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000440979134 1073102466 /nfs/dbraw/zinc/10/24/66/1073102466.db2.gz CIXODICDCSITDH-OAHLLOKOSA-N 1 2 387.440 -0.038 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000440980017 1073102600 /nfs/dbraw/zinc/10/26/00/1073102600.db2.gz FSNULCDRFBVMBF-AWEZNQCLSA-N 1 2 388.428 -0.643 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000440980018 1073102332 /nfs/dbraw/zinc/10/23/32/1073102332.db2.gz FSNULCDRFBVMBF-CQSZACIVSA-N 1 2 388.428 -0.643 20 0 GBADLO Cc1cn2cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)ccc2n1 ZINC000440981847 1073101393 /nfs/dbraw/zinc/10/13/93/1073101393.db2.gz KQUFDMKOGLLPLV-HNNXBMFYSA-N 1 2 375.429 -0.267 20 0 GBADLO Cc1cn2cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)ccc2n1 ZINC000440981849 1073101533 /nfs/dbraw/zinc/10/15/33/1073101533.db2.gz KQUFDMKOGLLPLV-OAHLLOKOSA-N 1 2 375.429 -0.267 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000440983526 1073101754 /nfs/dbraw/zinc/10/17/54/1073101754.db2.gz KDHBFCKLHPSZKI-LLVKDONJSA-N 1 2 385.490 -0.074 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccnc1-n1cccn1 ZINC000440984113 1073101631 /nfs/dbraw/zinc/10/16/31/1073101631.db2.gz GLGVJIOTDYENPX-AWEZNQCLSA-N 1 2 388.428 -0.643 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccnc1-n1cccn1 ZINC000440984116 1073101563 /nfs/dbraw/zinc/10/15/63/1073101563.db2.gz GLGVJIOTDYENPX-CQSZACIVSA-N 1 2 388.428 -0.643 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1C ZINC000440984962 1073101327 /nfs/dbraw/zinc/10/13/27/1073101327.db2.gz HFSDTKOEPGDBMM-HNNXBMFYSA-N 1 2 393.440 -0.128 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC000440984968 1073101447 /nfs/dbraw/zinc/10/14/47/1073101447.db2.gz HFSDTKOEPGDBMM-OAHLLOKOSA-N 1 2 393.440 -0.128 20 0 GBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nn1[C@H](C)C1CC1 ZINC000440985413 1073101361 /nfs/dbraw/zinc/10/13/61/1073101361.db2.gz OXBXLYLFIHXWNB-GDBMZVCRSA-N 1 2 393.488 0.253 20 0 GBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nn1[C@@H](C)C1CC1 ZINC000440985415 1073101543 /nfs/dbraw/zinc/10/15/43/1073101543.db2.gz OXBXLYLFIHXWNB-GOEBONIOSA-N 1 2 393.488 0.253 20 0 GBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nn1[C@@H](C)C1CC1 ZINC000440985416 1073101600 /nfs/dbraw/zinc/10/16/00/1073101600.db2.gz OXBXLYLFIHXWNB-HOCLYGCPSA-N 1 2 393.488 0.253 20 0 GBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nn1[C@H](C)C1CC1 ZINC000440985418 1073101705 /nfs/dbraw/zinc/10/17/05/1073101705.db2.gz OXBXLYLFIHXWNB-ZBFHGGJFSA-N 1 2 393.488 0.253 20 0 GBADLO CC[C@H](C)n1nc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC000440985786 1073101488 /nfs/dbraw/zinc/10/14/88/1073101488.db2.gz JTWHBEOSMNVACS-DZGCQCFKSA-N 1 2 381.477 0.253 20 0 GBADLO CC[C@@H](C)n1nc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC000440985792 1073101586 /nfs/dbraw/zinc/10/15/86/1073101586.db2.gz JTWHBEOSMNVACS-UKRRQHHQSA-N 1 2 381.477 0.253 20 0 GBADLO CC[C@H](C)n1nc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1C ZINC000440985794 1073101549 /nfs/dbraw/zinc/10/15/49/1073101549.db2.gz JTWHBEOSMNVACS-ZFWWWQNUSA-N 1 2 381.477 0.253 20 0 GBADLO CC(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000440988725 1073102533 /nfs/dbraw/zinc/10/25/33/1073102533.db2.gz RTCGEJVFJAWBIH-INIZCTEOSA-N 1 2 378.429 -0.265 20 0 GBADLO CC(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000440988727 1073102649 /nfs/dbraw/zinc/10/26/49/1073102649.db2.gz RTCGEJVFJAWBIH-MRXNPFEDSA-N 1 2 378.429 -0.265 20 0 GBADLO CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000440988882 1073102356 /nfs/dbraw/zinc/10/23/56/1073102356.db2.gz KSEYYSRPEXQOBQ-CQSZACIVSA-N 1 2 395.460 -0.046 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000440989490 1073102448 /nfs/dbraw/zinc/10/24/48/1073102448.db2.gz LGXWYTOFKJWNCJ-CYBMUJFWSA-N 1 2 388.428 -0.438 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000440989495 1073102570 /nfs/dbraw/zinc/10/25/70/1073102570.db2.gz LGXWYTOFKJWNCJ-ZDUSSCGKSA-N 1 2 388.428 -0.438 20 0 GBADLO COC(=O)c1ccc(F)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440989605 1073102364 /nfs/dbraw/zinc/10/23/64/1073102364.db2.gz LLRQFGNUDCPMAT-CYBMUJFWSA-N 1 2 397.403 -0.298 20 0 GBADLO COC(=O)c1ccc(F)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440989608 1073102305 /nfs/dbraw/zinc/10/23/05/1073102305.db2.gz LLRQFGNUDCPMAT-ZDUSSCGKSA-N 1 2 397.403 -0.298 20 0 GBADLO CC(C)CCn1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000440989880 1073102621 /nfs/dbraw/zinc/10/26/21/1073102621.db2.gz LVGUKTUTAYDGHP-HNNXBMFYSA-N 1 2 381.477 0.019 20 0 GBADLO CC(C)CCn1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000440989881 1073102548 /nfs/dbraw/zinc/10/25/48/1073102548.db2.gz LVGUKTUTAYDGHP-OAHLLOKOSA-N 1 2 381.477 0.019 20 0 GBADLO Cc1c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cnn1CC(C)C ZINC000440990199 1073102279 /nfs/dbraw/zinc/10/22/79/1073102279.db2.gz VQZNAZKNZNQAAE-HNNXBMFYSA-N 1 2 381.477 -0.062 20 0 GBADLO Cc1c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cnn1CC(C)C ZINC000440990201 1073102609 /nfs/dbraw/zinc/10/26/09/1073102609.db2.gz VQZNAZKNZNQAAE-OAHLLOKOSA-N 1 2 381.477 -0.062 20 0 GBADLO COCCOc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440991698 1073103066 /nfs/dbraw/zinc/10/30/66/1073103066.db2.gz XWDPPXNJAGSHDK-INIZCTEOSA-N 1 2 395.456 -0.198 20 0 GBADLO COCCOc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440991700 1073103430 /nfs/dbraw/zinc/10/34/30/1073103430.db2.gz XWDPPXNJAGSHDK-MRXNPFEDSA-N 1 2 395.456 -0.198 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000440992134 1073102348 /nfs/dbraw/zinc/10/23/48/1073102348.db2.gz PTQJTLADOYBKDG-HNNXBMFYSA-N 1 2 394.476 -0.127 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000440992135 1073102317 /nfs/dbraw/zinc/10/23/17/1073102317.db2.gz PTQJTLADOYBKDG-OAHLLOKOSA-N 1 2 394.476 -0.127 20 0 GBADLO CCOC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440992288 1073102506 /nfs/dbraw/zinc/10/25/06/1073102506.db2.gz SGFIIYGTTAUMSP-INIZCTEOSA-N 1 2 393.440 -0.047 20 0 GBADLO CCOC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440992290 1073102179 /nfs/dbraw/zinc/10/21/79/1073102179.db2.gz SGFIIYGTTAUMSP-MRXNPFEDSA-N 1 2 393.440 -0.047 20 0 GBADLO CCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000440992671 1073103478 /nfs/dbraw/zinc/10/34/78/1073103478.db2.gz ZQEDORCYIPQHIZ-INIZCTEOSA-N 1 2 392.456 -0.474 20 0 GBADLO CCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000440992674 1073103513 /nfs/dbraw/zinc/10/35/13/1073103513.db2.gz ZQEDORCYIPQHIZ-MRXNPFEDSA-N 1 2 392.456 -0.474 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000440993039 1073103113 /nfs/dbraw/zinc/10/31/13/1073103113.db2.gz RTRKCLIVKCTDFK-KRWDZBQOSA-N 1 2 387.440 -0.038 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000440993041 1073103367 /nfs/dbraw/zinc/10/33/67/1073103367.db2.gz RTRKCLIVKCTDFK-QGZVFWFLSA-N 1 2 387.440 -0.038 20 0 GBADLO CCn1nc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1C1CC1 ZINC000440993316 1073103570 /nfs/dbraw/zinc/10/35/70/1073103570.db2.gz SPJRDMYMXCNTMS-AWEZNQCLSA-N 1 2 379.461 -0.130 20 0 GBADLO CCn1nc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1C1CC1 ZINC000440993322 1073103561 /nfs/dbraw/zinc/10/35/61/1073103561.db2.gz SPJRDMYMXCNTMS-CQSZACIVSA-N 1 2 379.461 -0.130 20 0 GBADLO COCCOc1ncccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440994870 1073103577 /nfs/dbraw/zinc/10/35/77/1073103577.db2.gz ZLGYFJBGXSNMOX-AWEZNQCLSA-N 1 2 396.444 -0.803 20 0 GBADLO COCCOc1ncccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440994872 1073103523 /nfs/dbraw/zinc/10/35/23/1073103523.db2.gz ZLGYFJBGXSNMOX-CQSZACIVSA-N 1 2 396.444 -0.803 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000440995091 1073103400 /nfs/dbraw/zinc/10/34/00/1073103400.db2.gz ZUBVDVKLAQIJQI-AWEZNQCLSA-N 1 2 379.461 -0.136 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000440995093 1073103383 /nfs/dbraw/zinc/10/33/83/1073103383.db2.gz ZUBVDVKLAQIJQI-CQSZACIVSA-N 1 2 379.461 -0.136 20 0 GBADLO CNC(=O)c1ccc(C)c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440997848 1073103443 /nfs/dbraw/zinc/10/34/43/1073103443.db2.gz HLCYVBNUOISAMC-HNNXBMFYSA-N 1 2 392.456 -0.555 20 0 GBADLO CNC(=O)c1ccc(C)c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440997849 1073104196 /nfs/dbraw/zinc/10/41/96/1073104196.db2.gz HLCYVBNUOISAMC-OAHLLOKOSA-N 1 2 392.456 -0.555 20 0 GBADLO COC(=O)Cc1ccccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440999113 1073104221 /nfs/dbraw/zinc/10/42/21/1073104221.db2.gz OJASQXODLGHLQG-HNNXBMFYSA-N 1 2 393.440 -0.508 20 0 GBADLO COC(=O)Cc1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440999119 1073104049 /nfs/dbraw/zinc/10/40/49/1073104049.db2.gz OJASQXODLGHLQG-OAHLLOKOSA-N 1 2 393.440 -0.508 20 0 GBADLO CCN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H](C)C1=O ZINC000440999408 1073104111 /nfs/dbraw/zinc/10/41/11/1073104111.db2.gz DGUXRJLVOJGCQO-AWEZNQCLSA-N 1 2 392.460 -0.767 20 0 GBADLO CCN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H](C)C1=O ZINC000440999411 1073104134 /nfs/dbraw/zinc/10/41/34/1073104134.db2.gz DGUXRJLVOJGCQO-CQSZACIVSA-N 1 2 392.460 -0.767 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000441002138 1073104257 /nfs/dbraw/zinc/10/42/57/1073104257.db2.gz RFBLIUWEQAGNLC-HNNXBMFYSA-N 1 2 390.440 -0.339 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000441002141 1073104373 /nfs/dbraw/zinc/10/43/73/1073104373.db2.gz RFBLIUWEQAGNLC-OAHLLOKOSA-N 1 2 390.440 -0.339 20 0 GBADLO COC(=O)c1c(C)cccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441003464 1073104121 /nfs/dbraw/zinc/10/41/21/1073104121.db2.gz VBBDKULCMAIPGU-AWEZNQCLSA-N 1 2 393.440 -0.128 20 0 GBADLO COC(=O)c1c(C)cccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441003466 1073103896 /nfs/dbraw/zinc/10/38/96/1073103896.db2.gz VBBDKULCMAIPGU-CQSZACIVSA-N 1 2 393.440 -0.128 20 0 GBADLO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441003718 1073104317 /nfs/dbraw/zinc/10/43/17/1073104317.db2.gz OEGQBAWCWCUHAM-AWEZNQCLSA-N 1 2 378.429 -0.816 20 0 GBADLO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441003719 1073104423 /nfs/dbraw/zinc/10/44/23/1073104423.db2.gz OEGQBAWCWCUHAM-CQSZACIVSA-N 1 2 378.429 -0.816 20 0 GBADLO COCCOc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000441008912 1073104144 /nfs/dbraw/zinc/10/41/44/1073104144.db2.gz ZJWTZFSBWOMDKK-HNNXBMFYSA-N 1 2 396.444 -0.803 20 0 GBADLO COCCOc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000441008913 1073103911 /nfs/dbraw/zinc/10/39/11/1073103911.db2.gz ZJWTZFSBWOMDKK-OAHLLOKOSA-N 1 2 396.444 -0.803 20 0 GBADLO COC(=O)CNC(=O)CC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441010102 1073105090 /nfs/dbraw/zinc/10/50/90/1073105090.db2.gz ADZMRNFNMGXTRE-CYBMUJFWSA-N 1 2 389.408 -0.337 20 0 GBADLO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441010102 1073105083 /nfs/dbraw/zinc/10/50/83/1073105083.db2.gz ADZMRNFNMGXTRE-CYBMUJFWSA-N 1 2 389.408 -0.337 20 0 GBADLO COC(=O)CNC(=O)CC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441010105 1073104789 /nfs/dbraw/zinc/10/47/89/1073104789.db2.gz ADZMRNFNMGXTRE-ZDUSSCGKSA-N 1 2 389.408 -0.337 20 0 GBADLO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441010105 1073104784 /nfs/dbraw/zinc/10/47/84/1073104784.db2.gz ADZMRNFNMGXTRE-ZDUSSCGKSA-N 1 2 389.408 -0.337 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc2c1oc(=O)n2C ZINC000441014187 1073104990 /nfs/dbraw/zinc/10/49/90/1073104990.db2.gz VYJKQCZCHAUIGU-GFCCVEGCSA-N 1 2 392.412 -0.779 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc2c1oc(=O)n2C ZINC000441014190 1073104942 /nfs/dbraw/zinc/10/49/42/1073104942.db2.gz VYJKQCZCHAUIGU-LBPRGKRZSA-N 1 2 392.412 -0.779 20 0 GBADLO CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000441015155 1073105011 /nfs/dbraw/zinc/10/50/11/1073105011.db2.gz YHWFRNCATJDEGM-KRWDZBQOSA-N 1 2 392.456 -0.241 20 0 GBADLO CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000441015156 1073104884 /nfs/dbraw/zinc/10/48/84/1073104884.db2.gz YHWFRNCATJDEGM-QGZVFWFLSA-N 1 2 392.456 -0.241 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000441018425 1073105218 /nfs/dbraw/zinc/10/52/18/1073105218.db2.gz GOGMTBDVOJXPIE-CYBMUJFWSA-N 1 2 392.412 -0.779 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000441018427 1073105113 /nfs/dbraw/zinc/10/51/13/1073105113.db2.gz GOGMTBDVOJXPIE-ZDUSSCGKSA-N 1 2 392.412 -0.779 20 0 GBADLO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441026973 1073105138 /nfs/dbraw/zinc/10/51/38/1073105138.db2.gz UGKWKVDRQKBTTF-HNNXBMFYSA-N 1 2 392.456 -0.241 20 0 GBADLO CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441026976 1073104918 /nfs/dbraw/zinc/10/49/18/1073104918.db2.gz UGKWKVDRQKBTTF-OAHLLOKOSA-N 1 2 392.456 -0.241 20 0 GBADLO COCCOc1ccccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441028831 1072237370 /nfs/dbraw/zinc/23/73/70/1072237370.db2.gz WWXMQABRXOFHNB-HNNXBMFYSA-N 1 2 395.456 -0.198 20 0 GBADLO COCCOc1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441028833 1072237798 /nfs/dbraw/zinc/23/77/98/1072237798.db2.gz WWXMQABRXOFHNB-OAHLLOKOSA-N 1 2 395.456 -0.198 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000441028990 1073104842 /nfs/dbraw/zinc/10/48/42/1073104842.db2.gz XJNOFNSADJKWEE-HNNXBMFYSA-N 1 2 390.440 -0.339 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000441029269 1073105202 /nfs/dbraw/zinc/10/52/02/1073105202.db2.gz XJNOFNSADJKWEE-OAHLLOKOSA-N 1 2 390.440 -0.339 20 0 GBADLO C[C@H]1C[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCN1c1nccn2cnnc12 ZINC000441042485 1073105284 /nfs/dbraw/zinc/10/52/84/1073105284.db2.gz QQHDIAGIDXBGRO-KBPBESRZSA-N 1 2 386.460 -0.641 20 0 GBADLO C[C@H]1C[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCN1c1nccn2cnnc12 ZINC000441042485 1073105279 /nfs/dbraw/zinc/10/52/79/1073105279.db2.gz QQHDIAGIDXBGRO-KBPBESRZSA-N 1 2 386.460 -0.641 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCN1c1nccn2cnnc12 ZINC000441042489 1073105072 /nfs/dbraw/zinc/10/50/72/1073105072.db2.gz QQHDIAGIDXBGRO-KGLIPLIRSA-N 1 2 386.460 -0.641 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCN1c1nccn2cnnc12 ZINC000441042489 1073105067 /nfs/dbraw/zinc/10/50/67/1073105067.db2.gz QQHDIAGIDXBGRO-KGLIPLIRSA-N 1 2 386.460 -0.641 20 0 GBADLO C[C@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CCN1c1nccn2cnnc12 ZINC000441042491 1073104832 /nfs/dbraw/zinc/10/48/32/1073104832.db2.gz QQHDIAGIDXBGRO-UONOGXRCSA-N 1 2 386.460 -0.641 20 0 GBADLO C[C@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CCN1c1nccn2cnnc12 ZINC000441042491 1073104827 /nfs/dbraw/zinc/10/48/27/1073104827.db2.gz QQHDIAGIDXBGRO-UONOGXRCSA-N 1 2 386.460 -0.641 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CCN1c1nccn2cnnc12 ZINC000441042493 1073104853 /nfs/dbraw/zinc/10/48/53/1073104853.db2.gz QQHDIAGIDXBGRO-ZIAGYGMSSA-N 1 2 386.460 -0.641 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CCN1c1nccn2cnnc12 ZINC000441042493 1073104849 /nfs/dbraw/zinc/10/48/49/1073104849.db2.gz QQHDIAGIDXBGRO-ZIAGYGMSSA-N 1 2 386.460 -0.641 20 0 GBADLO O=C1CNC(=O)N1CCC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441049928 1073107085 /nfs/dbraw/zinc/10/70/85/1073107085.db2.gz WSUFVYGUNYVRIZ-CYBMUJFWSA-N 1 2 386.408 -0.075 20 0 GBADLO O=C1CNC(=O)N1CCC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441049928 1073107083 /nfs/dbraw/zinc/10/70/83/1073107083.db2.gz WSUFVYGUNYVRIZ-CYBMUJFWSA-N 1 2 386.408 -0.075 20 0 GBADLO O=C1CNC(=O)N1CCC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441049929 1073106942 /nfs/dbraw/zinc/10/69/42/1073106942.db2.gz WSUFVYGUNYVRIZ-ZDUSSCGKSA-N 1 2 386.408 -0.075 20 0 GBADLO O=C1CNC(=O)N1CCC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441049929 1073106937 /nfs/dbraw/zinc/10/69/37/1073106937.db2.gz WSUFVYGUNYVRIZ-ZDUSSCGKSA-N 1 2 386.408 -0.075 20 0 GBADLO CC(C)NS(=O)(=O)[C@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000441059023 1073105737 /nfs/dbraw/zinc/10/57/37/1073105737.db2.gz FQNXMBKPNRHPLJ-HNNXBMFYSA-N 1 2 390.550 -0.385 20 0 GBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000441059026 1073105894 /nfs/dbraw/zinc/10/58/94/1073105894.db2.gz FQNXMBKPNRHPLJ-OAHLLOKOSA-N 1 2 390.550 -0.385 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000441059236 530387386 /nfs/dbraw/zinc/38/73/86/530387386.db2.gz JCYFOOODYQZBEF-AWEZNQCLSA-N 1 2 376.523 -0.238 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000441059236 530387385 /nfs/dbraw/zinc/38/73/85/530387385.db2.gz JCYFOOODYQZBEF-AWEZNQCLSA-N 1 2 376.523 -0.238 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000441059239 530387163 /nfs/dbraw/zinc/38/71/63/530387163.db2.gz JCYFOOODYQZBEF-CQSZACIVSA-N 1 2 376.523 -0.238 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000441059239 530387159 /nfs/dbraw/zinc/38/71/59/530387159.db2.gz JCYFOOODYQZBEF-CQSZACIVSA-N 1 2 376.523 -0.238 20 0 GBADLO CCOC(=O)CNC(=O)C1CC[NH+]([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000441091506 1073107869 /nfs/dbraw/zinc/10/78/69/1073107869.db2.gz VDWZIZCPOVARIX-LLVKDONJSA-N 1 2 379.465 -0.028 20 0 GBADLO CCOC(=O)CNC(=O)C1CC[NH+]([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000441091535 1073108130 /nfs/dbraw/zinc/10/81/30/1073108130.db2.gz VDWZIZCPOVARIX-NSHDSACASA-N 1 2 379.465 -0.028 20 0 GBADLO CNS(=O)(=O)CCNC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441105416 530387606 /nfs/dbraw/zinc/38/76/06/530387606.db2.gz PBUFTIQIQMVRSZ-HNNXBMFYSA-N 1 2 378.495 -0.359 20 0 GBADLO CNS(=O)(=O)CCNC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441105419 530387826 /nfs/dbraw/zinc/38/78/26/530387826.db2.gz PBUFTIQIQMVRSZ-OAHLLOKOSA-N 1 2 378.495 -0.359 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCC[C@H]1CC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000441130678 530387595 /nfs/dbraw/zinc/38/75/95/530387595.db2.gz XKWBUWBEKLOHOT-KBPBESRZSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCC[C@H]1CC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000441130678 530387594 /nfs/dbraw/zinc/38/75/94/530387594.db2.gz XKWBUWBEKLOHOT-KBPBESRZSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCC[C@@H]1CC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000441130682 530387747 /nfs/dbraw/zinc/38/77/47/530387747.db2.gz XKWBUWBEKLOHOT-KGLIPLIRSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCC[C@@H]1CC(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000441130682 530387745 /nfs/dbraw/zinc/38/77/45/530387745.db2.gz XKWBUWBEKLOHOT-KGLIPLIRSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCC[C@H]1CC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000441130684 530387636 /nfs/dbraw/zinc/38/76/36/530387636.db2.gz XKWBUWBEKLOHOT-UONOGXRCSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCC[C@H]1CC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000441130684 530387634 /nfs/dbraw/zinc/38/76/34/530387634.db2.gz XKWBUWBEKLOHOT-UONOGXRCSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCC[C@@H]1CC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000441130685 530387767 /nfs/dbraw/zinc/38/77/67/530387767.db2.gz XKWBUWBEKLOHOT-ZIAGYGMSSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCC[C@@H]1CC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000441130685 530387765 /nfs/dbraw/zinc/38/77/65/530387765.db2.gz XKWBUWBEKLOHOT-ZIAGYGMSSA-N 1 2 376.475 -0.324 20 0 GBADLO CO[C@@H](C)CN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)C ZINC000441165969 1073108894 /nfs/dbraw/zinc/10/88/94/1073108894.db2.gz IHPWNBJSKYPNAR-HNNXBMFYSA-N 1 2 381.477 0.426 20 0 GBADLO CO[C@H](C)CN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)C ZINC000441165973 1073108886 /nfs/dbraw/zinc/10/88/86/1073108886.db2.gz IHPWNBJSKYPNAR-OAHLLOKOSA-N 1 2 381.477 0.426 20 0 GBADLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000441184097 530387834 /nfs/dbraw/zinc/38/78/34/530387834.db2.gz YXIMAEALHOSIPR-HNNXBMFYSA-N 1 2 378.495 -0.359 20 0 GBADLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)NCCNS(C)(=O)=O)C1 ZINC000441184099 530387757 /nfs/dbraw/zinc/38/77/57/530387757.db2.gz YXIMAEALHOSIPR-OAHLLOKOSA-N 1 2 378.495 -0.359 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000441188237 1073109701 /nfs/dbraw/zinc/10/97/01/1073109701.db2.gz JXQBYSGTIXHQAM-UHFFFAOYSA-N 1 2 380.430 -0.271 20 0 GBADLO CCCn1c(N)c(C(=O)C[NH+]2CCC([C@@H](O)C(=O)OC)CC2)c(=O)[nH]c1=O ZINC000441226422 1073112260 /nfs/dbraw/zinc/11/22/60/1073112260.db2.gz DQCYOCAFFLKGBZ-CYBMUJFWSA-N 1 2 382.417 -0.630 20 0 GBADLO CCCn1c(N)c(C(=O)C[NH+]2CCC([C@H](O)C(=O)OC)CC2)c(=O)[nH]c1=O ZINC000441226424 1073112474 /nfs/dbraw/zinc/11/24/74/1073112474.db2.gz DQCYOCAFFLKGBZ-ZDUSSCGKSA-N 1 2 382.417 -0.630 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000441232943 1073111523 /nfs/dbraw/zinc/11/15/23/1073111523.db2.gz MFPONHKZEHRFCY-AWEZNQCLSA-N 1 2 382.417 -0.219 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000441232949 1073111498 /nfs/dbraw/zinc/11/14/98/1073111498.db2.gz MFPONHKZEHRFCY-CQSZACIVSA-N 1 2 382.417 -0.219 20 0 GBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000441235976 1073111796 /nfs/dbraw/zinc/11/17/96/1073111796.db2.gz UDUZCVNRCQHEHE-HNNXBMFYSA-N 1 2 385.442 -0.482 20 0 GBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000441235981 1073111787 /nfs/dbraw/zinc/11/17/87/1073111787.db2.gz UDUZCVNRCQHEHE-OAHLLOKOSA-N 1 2 385.442 -0.482 20 0 GBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000441245708 1073113006 /nfs/dbraw/zinc/11/30/06/1073113006.db2.gz NMGCCHQGTUVYAF-HNNXBMFYSA-N 1 2 385.442 -0.482 20 0 GBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000441245710 1073113036 /nfs/dbraw/zinc/11/30/36/1073113036.db2.gz NMGCCHQGTUVYAF-OAHLLOKOSA-N 1 2 385.442 -0.482 20 0 GBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000441246353 1073113257 /nfs/dbraw/zinc/11/32/57/1073113257.db2.gz HQEBKSKMIPYWSY-INIZCTEOSA-N 1 2 399.469 -0.173 20 0 GBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000441246354 1073113024 /nfs/dbraw/zinc/11/30/24/1073113024.db2.gz HQEBKSKMIPYWSY-MRXNPFEDSA-N 1 2 399.469 -0.173 20 0 GBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 ZINC000441247811 1073113278 /nfs/dbraw/zinc/11/32/78/1073113278.db2.gz LJWWMIKKLSKPOR-CYBMUJFWSA-N 1 2 380.401 -0.705 20 0 GBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 ZINC000441247812 1073113219 /nfs/dbraw/zinc/11/32/19/1073113219.db2.gz LJWWMIKKLSKPOR-ZDUSSCGKSA-N 1 2 380.401 -0.705 20 0 GBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000441248232 1073112942 /nfs/dbraw/zinc/11/29/42/1073112942.db2.gz UQWLXSRCXWQDPS-INIZCTEOSA-N 1 2 392.391 -0.014 20 0 GBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000441248233 1073112978 /nfs/dbraw/zinc/11/29/78/1073112978.db2.gz UQWLXSRCXWQDPS-MRXNPFEDSA-N 1 2 392.391 -0.014 20 0 GBADLO COC(=O)[C@@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000441251488 1073113108 /nfs/dbraw/zinc/11/31/08/1073113108.db2.gz SZRUEQSPEPIALI-ABAIWWIYSA-N 1 2 399.469 -0.093 20 0 GBADLO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000441251490 1073113118 /nfs/dbraw/zinc/11/31/18/1073113118.db2.gz SZRUEQSPEPIALI-IAQYHMDHSA-N 1 2 399.469 -0.093 20 0 GBADLO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000441251492 1073113150 /nfs/dbraw/zinc/11/31/50/1073113150.db2.gz SZRUEQSPEPIALI-NHYWBVRUSA-N 1 2 399.469 -0.093 20 0 GBADLO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000441251494 1073113268 /nfs/dbraw/zinc/11/32/68/1073113268.db2.gz SZRUEQSPEPIALI-XHDPSFHLSA-N 1 2 399.469 -0.093 20 0 GBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000441251717 1073113091 /nfs/dbraw/zinc/11/30/91/1073113091.db2.gz UEMIXQUKXGSBNJ-INIZCTEOSA-N 1 2 399.469 -0.173 20 0 GBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000441251718 1073113312 /nfs/dbraw/zinc/11/33/12/1073113312.db2.gz UEMIXQUKXGSBNJ-MRXNPFEDSA-N 1 2 399.469 -0.173 20 0 GBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000441252603 1073113170 /nfs/dbraw/zinc/11/31/70/1073113170.db2.gz BGLCWRDHXNDKGC-AWEZNQCLSA-N 1 2 396.444 -0.384 20 0 GBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000441252606 1073112877 /nfs/dbraw/zinc/11/28/77/1073112877.db2.gz BGLCWRDHXNDKGC-CQSZACIVSA-N 1 2 396.444 -0.384 20 0 GBADLO NC(=O)c1ccc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000441261326 1073113686 /nfs/dbraw/zinc/11/36/86/1073113686.db2.gz GYCGGLHMCHJNIH-UHFFFAOYSA-N 1 2 384.444 -0.408 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000441265052 1073113741 /nfs/dbraw/zinc/11/37/41/1073113741.db2.gz SRLPDURCAFDLRD-UHFFFAOYSA-N 1 2 386.522 -0.816 20 0 GBADLO CNC(=O)[C@@H](NC(=O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1)c1ccccc1 ZINC000441269432 1073114062 /nfs/dbraw/zinc/11/40/62/1073114062.db2.gz YROVYLRJEGZBJO-DLBZAZTESA-N 1 2 377.441 -0.164 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1)c1ccccc1 ZINC000441269434 1073114179 /nfs/dbraw/zinc/11/41/79/1073114179.db2.gz YROVYLRJEGZBJO-IAGOWNOFSA-N 1 2 377.441 -0.164 20 0 GBADLO CNC(=O)[C@@H](NC(=O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1)c1ccccc1 ZINC000441269435 1073113666 /nfs/dbraw/zinc/11/36/66/1073113666.db2.gz YROVYLRJEGZBJO-IRXDYDNUSA-N 1 2 377.441 -0.164 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1)c1ccccc1 ZINC000441269437 1073113787 /nfs/dbraw/zinc/11/37/87/1073113787.db2.gz YROVYLRJEGZBJO-SJORKVTESA-N 1 2 377.441 -0.164 20 0 GBADLO C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1nnc[nH]1 ZINC000441328744 1073117206 /nfs/dbraw/zinc/11/72/06/1073117206.db2.gz YQVWZKMSCNDEDC-CYBMUJFWSA-N 1 2 399.455 -0.063 20 0 GBADLO C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1nnc[nH]1 ZINC000441328746 1073117112 /nfs/dbraw/zinc/11/71/12/1073117112.db2.gz YQVWZKMSCNDEDC-ZDUSSCGKSA-N 1 2 399.455 -0.063 20 0 GBADLO COc1ccccc1NC(=O)CN1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000441336923 1073116412 /nfs/dbraw/zinc/11/64/12/1073116412.db2.gz ANWDVVYMKJQLDI-KRWDZBQOSA-N 1 2 392.500 -0.056 20 0 GBADLO COc1ccccc1NC(=O)CN1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000441336926 1073116520 /nfs/dbraw/zinc/11/65/20/1073116520.db2.gz ANWDVVYMKJQLDI-QGZVFWFLSA-N 1 2 392.500 -0.056 20 0 GBADLO CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000441348958 1073119006 /nfs/dbraw/zinc/11/90/06/1073119006.db2.gz DJPDODFVIJPSTQ-GOSISDBHSA-N 1 2 394.428 -0.405 20 0 GBADLO CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000441348962 1073118988 /nfs/dbraw/zinc/11/89/88/1073118988.db2.gz DJPDODFVIJPSTQ-SFHVURJKSA-N 1 2 394.428 -0.405 20 0 GBADLO CCO[C@H](C)c1noc(CN2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)n1 ZINC000441414784 1073121432 /nfs/dbraw/zinc/12/14/32/1073121432.db2.gz KYAFFZVDGPQLJT-CVEARBPZSA-N 1 2 383.493 -0.022 20 0 GBADLO CCO[C@@H](C)c1noc(CN2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)n1 ZINC000441414789 1073121191 /nfs/dbraw/zinc/12/11/91/1073121191.db2.gz KYAFFZVDGPQLJT-HOTGVXAUSA-N 1 2 383.493 -0.022 20 0 GBADLO CCO[C@H](C)c1noc(CN2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)n1 ZINC000441414790 1073121166 /nfs/dbraw/zinc/12/11/66/1073121166.db2.gz KYAFFZVDGPQLJT-HZPDHXFCSA-N 1 2 383.493 -0.022 20 0 GBADLO CCO[C@@H](C)c1noc(CN2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)n1 ZINC000441414791 1073121213 /nfs/dbraw/zinc/12/12/13/1073121213.db2.gz KYAFFZVDGPQLJT-JKSUJKDBSA-N 1 2 383.493 -0.022 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCc2ccc(C(N)=O)nc2)CC1 ZINC000441438602 1073161945 /nfs/dbraw/zinc/16/19/45/1073161945.db2.gz UCBFCKZWQBZNSL-UHFFFAOYSA-N 1 2 395.427 -0.111 20 0 GBADLO COCCOC1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000441510909 1073176860 /nfs/dbraw/zinc/17/68/60/1073176860.db2.gz FRXDPEBNXWELFG-UHFFFAOYSA-N 1 2 381.433 -0.972 20 0 GBADLO CC[C@H](CO)[NH+]1CCN([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000441515359 530387760 /nfs/dbraw/zinc/38/77/60/530387760.db2.gz UYPMGDXIUKKWIU-ARFHVFGLSA-N 1 2 375.535 -0.201 20 0 GBADLO CC[C@H](CO)[NH+]1CCN([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000441515362 530387750 /nfs/dbraw/zinc/38/77/50/530387750.db2.gz UYPMGDXIUKKWIU-BZUAXINKSA-N 1 2 375.535 -0.201 20 0 GBADLO CC[C@H](CO)[NH+]1CCN([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000441515365 530387786 /nfs/dbraw/zinc/38/77/86/530387786.db2.gz UYPMGDXIUKKWIU-OAGGEKHMSA-N 1 2 375.535 -0.201 20 0 GBADLO CC[C@H](CO)[NH+]1CCN([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000441515367 530387587 /nfs/dbraw/zinc/38/75/87/530387587.db2.gz UYPMGDXIUKKWIU-XHSDSOJGSA-N 1 2 375.535 -0.201 20 0 GBADLO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCn1cc[nH+]c1)CC2 ZINC000441571578 1073182349 /nfs/dbraw/zinc/18/23/49/1073182349.db2.gz LBGPIGKTFRTCQT-UHFFFAOYSA-N 1 2 391.453 -0.113 20 0 GBADLO COC[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000441621086 1073187428 /nfs/dbraw/zinc/18/74/28/1073187428.db2.gz NDWCXOUJYZQBKP-HNNXBMFYSA-N 1 2 389.522 -0.769 20 0 GBADLO COC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000441621097 1073187539 /nfs/dbraw/zinc/18/75/39/1073187539.db2.gz NDWCXOUJYZQBKP-OAHLLOKOSA-N 1 2 389.522 -0.769 20 0 GBADLO COC(=O)[C@@H]1CCCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C(=O)OC ZINC000441641382 1073188567 /nfs/dbraw/zinc/18/85/67/1073188567.db2.gz XOLYGGWEOPUIKF-GDBMZVCRSA-N 1 2 399.488 -0.360 20 0 GBADLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000441641384 1073189008 /nfs/dbraw/zinc/18/90/08/1073189008.db2.gz XOLYGGWEOPUIKF-GOEBONIOSA-N 1 2 399.488 -0.360 20 0 GBADLO COC(=O)[C@H]1CCCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1C(=O)OC ZINC000441641386 1073188548 /nfs/dbraw/zinc/18/85/48/1073188548.db2.gz XOLYGGWEOPUIKF-HOCLYGCPSA-N 1 2 399.488 -0.360 20 0 GBADLO COC(=O)[C@@H]1CCCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1C(=O)OC ZINC000441641389 1073188998 /nfs/dbraw/zinc/18/89/98/1073188998.db2.gz XOLYGGWEOPUIKF-ZBFHGGJFSA-N 1 2 399.488 -0.360 20 0 GBADLO CCS(=O)(=O)NCCN1C[C@@H](C)[N@@H+](CCNS(=O)(=O)CC)C[C@@H]1C ZINC000441648657 530388094 /nfs/dbraw/zinc/38/80/94/530388094.db2.gz VBQXWXGCMSGMAS-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1C[C@@H](C)[N@H+](CCNS(=O)(=O)CC)C[C@@H]1C ZINC000441648657 530388092 /nfs/dbraw/zinc/38/80/92/530388092.db2.gz VBQXWXGCMSGMAS-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1C[C@H](C)[N@@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC000441648657 530388090 /nfs/dbraw/zinc/38/80/90/530388090.db2.gz VBQXWXGCMSGMAS-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1C[C@H](C)[N@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC000441648657 530388088 /nfs/dbraw/zinc/38/80/88/530388088.db2.gz VBQXWXGCMSGMAS-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CC(C)C[C@@H](CO)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441695423 1073193347 /nfs/dbraw/zinc/19/33/47/1073193347.db2.gz ZMQIKOIEKAABFB-HNNXBMFYSA-N 1 2 381.477 0.019 20 0 GBADLO CC(C)C[C@H](CO)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441695425 1073193251 /nfs/dbraw/zinc/19/32/51/1073193251.db2.gz ZMQIKOIEKAABFB-OAHLLOKOSA-N 1 2 381.477 0.019 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C[C@H](O)CO)cc2)CC1 ZINC000441739607 1073196100 /nfs/dbraw/zinc/19/61/00/1073196100.db2.gz JPMXMPXNKBNCFX-KRWDZBQOSA-N 1 2 392.456 -0.899 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)C[C@H](O)CO)c2)CC1 ZINC000441754941 1073198633 /nfs/dbraw/zinc/19/86/33/1073198633.db2.gz UEPQXPDUBQVJGF-KRWDZBQOSA-N 1 2 392.456 -0.899 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)C[C@H](O)CO)CC1 ZINC000441757308 1073198948 /nfs/dbraw/zinc/19/89/48/1073198948.db2.gz YONXRAHIJJPNJI-INIZCTEOSA-N 1 2 392.456 -0.899 20 0 GBADLO CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000441816668 1073213139 /nfs/dbraw/zinc/21/31/39/1073213139.db2.gz DOCANHMOTMBLNY-GFCCVEGCSA-N 1 2 393.366 -0.465 20 0 GBADLO CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000441816673 1073212972 /nfs/dbraw/zinc/21/29/72/1073212972.db2.gz DOCANHMOTMBLNY-LBPRGKRZSA-N 1 2 393.366 -0.465 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)NCCOCC(N)=O)c1)[NH+]1CCOCC1 ZINC000441882024 1073231222 /nfs/dbraw/zinc/23/12/22/1073231222.db2.gz JMIQDCKHYPBUEZ-CYBMUJFWSA-N 1 2 378.429 -0.364 20 0 GBADLO C[C@@H](c1cccc(NC(=O)C(=O)NCCOCC(N)=O)c1)[NH+]1CCOCC1 ZINC000441882026 1073231173 /nfs/dbraw/zinc/23/11/73/1073231173.db2.gz JMIQDCKHYPBUEZ-ZDUSSCGKSA-N 1 2 378.429 -0.364 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCOCC(N)=O)cc2)CC1 ZINC000441890088 1073232215 /nfs/dbraw/zinc/23/22/15/1073232215.db2.gz NYOJLOYUHYTHOD-UHFFFAOYSA-N 1 2 391.472 -0.619 20 0 GBADLO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000441897943 1073232653 /nfs/dbraw/zinc/23/26/53/1073232653.db2.gz UBYSETMBVLRJLR-UHFFFAOYSA-N 1 2 377.489 -0.071 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000441903708 1073233489 /nfs/dbraw/zinc/23/34/89/1073233489.db2.gz DLMWUSVRCHALGY-CRWXNKLISA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000441903708 1073233485 /nfs/dbraw/zinc/23/34/85/1073233485.db2.gz DLMWUSVRCHALGY-CRWXNKLISA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC000441903708 1073233479 /nfs/dbraw/zinc/23/34/79/1073233479.db2.gz DLMWUSVRCHALGY-CRWXNKLISA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC000441903708 1073233476 /nfs/dbraw/zinc/23/34/76/1073233476.db2.gz DLMWUSVRCHALGY-CRWXNKLISA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)N([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC000441903709 1073233259 /nfs/dbraw/zinc/23/32/59/1073233259.db2.gz DLMWUSVRCHALGY-KPWCQOOUSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H](C)N([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC000441903709 1073233253 /nfs/dbraw/zinc/23/32/53/1073233253.db2.gz DLMWUSVRCHALGY-KPWCQOOUSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](C)[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC000441903709 1073233246 /nfs/dbraw/zinc/23/32/46/1073233246.db2.gz DLMWUSVRCHALGY-KPWCQOOUSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](C)[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC000441903709 1073233241 /nfs/dbraw/zinc/23/32/41/1073233241.db2.gz DLMWUSVRCHALGY-KPWCQOOUSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N([C@@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000441903710 1073233597 /nfs/dbraw/zinc/23/35/97/1073233597.db2.gz DLMWUSVRCHALGY-LVEBTZEWSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N([C@@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000441903710 1073233596 /nfs/dbraw/zinc/23/35/96/1073233596.db2.gz DLMWUSVRCHALGY-LVEBTZEWSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000441903710 1073233592 /nfs/dbraw/zinc/23/35/92/1073233592.db2.gz DLMWUSVRCHALGY-LVEBTZEWSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000441903710 1073233591 /nfs/dbraw/zinc/23/35/91/1073233591.db2.gz DLMWUSVRCHALGY-LVEBTZEWSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[N@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000441903711 1073233625 /nfs/dbraw/zinc/23/36/25/1073233625.db2.gz DLMWUSVRCHALGY-XJFOESAGSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000441903711 1073233622 /nfs/dbraw/zinc/23/36/22/1073233622.db2.gz DLMWUSVRCHALGY-XJFOESAGSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](C)[N@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC000441903711 1073233621 /nfs/dbraw/zinc/23/36/21/1073233621.db2.gz DLMWUSVRCHALGY-XJFOESAGSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](C)[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1C ZINC000441903711 1073233618 /nfs/dbraw/zinc/23/36/18/1073233618.db2.gz DLMWUSVRCHALGY-XJFOESAGSA-N 1 2 398.508 -0.151 20 0 GBADLO CC(C)(O)CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC1 ZINC000441930379 1073234256 /nfs/dbraw/zinc/23/42/56/1073234256.db2.gz SKPYXEUSZGOJDR-UHFFFAOYSA-N 1 2 379.461 -0.084 20 0 GBADLO CC(C)(O)CN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CC1 ZINC000441936469 1073234100 /nfs/dbraw/zinc/23/41/00/1073234100.db2.gz QHPPXQPTJBKSTP-UHFFFAOYSA-N 1 2 379.461 -0.084 20 0 GBADLO CC(C)(C)c1nc(=NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)s[nH]1 ZINC000441963143 1073235192 /nfs/dbraw/zinc/23/51/92/1073235192.db2.gz SJYLUKCMPFWAQH-LLVKDONJSA-N 1 2 396.517 -0.100 20 0 GBADLO CC(C)(C)c1nc(=NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)s[nH]1 ZINC000441963143 1073235186 /nfs/dbraw/zinc/23/51/86/1073235186.db2.gz SJYLUKCMPFWAQH-LLVKDONJSA-N 1 2 396.517 -0.100 20 0 GBADLO CC(C)(C)c1nc(=NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)s[nH]1 ZINC000441963145 1073235142 /nfs/dbraw/zinc/23/51/42/1073235142.db2.gz SJYLUKCMPFWAQH-NSHDSACASA-N 1 2 396.517 -0.100 20 0 GBADLO CC(C)(C)c1nc(=NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)s[nH]1 ZINC000441963145 1073235137 /nfs/dbraw/zinc/23/51/37/1073235137.db2.gz SJYLUKCMPFWAQH-NSHDSACASA-N 1 2 396.517 -0.100 20 0 GBADLO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000441965047 1073235528 /nfs/dbraw/zinc/23/55/28/1073235528.db2.gz JSRDVSNEMFNARW-GFCCVEGCSA-N 1 2 399.459 -0.299 20 0 GBADLO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000441965048 1073235577 /nfs/dbraw/zinc/23/55/77/1073235577.db2.gz JSRDVSNEMFNARW-LBPRGKRZSA-N 1 2 399.459 -0.299 20 0 GBADLO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000441998171 1073235895 /nfs/dbraw/zinc/23/58/95/1073235895.db2.gz DIBWYJJYJFQXDX-UHFFFAOYSA-N 1 2 399.459 -0.345 20 0 GBADLO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000442007524 1073238414 /nfs/dbraw/zinc/23/84/14/1073238414.db2.gz VLXHYPXRXNVYFY-GFCCVEGCSA-N 1 2 399.459 -0.299 20 0 GBADLO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000442007524 1073238407 /nfs/dbraw/zinc/23/84/07/1073238407.db2.gz VLXHYPXRXNVYFY-GFCCVEGCSA-N 1 2 399.459 -0.299 20 0 GBADLO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000442007529 1073238142 /nfs/dbraw/zinc/23/81/42/1073238142.db2.gz VLXHYPXRXNVYFY-LBPRGKRZSA-N 1 2 399.459 -0.299 20 0 GBADLO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000442007529 1073238134 /nfs/dbraw/zinc/23/81/34/1073238134.db2.gz VLXHYPXRXNVYFY-LBPRGKRZSA-N 1 2 399.459 -0.299 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000442038090 1073242699 /nfs/dbraw/zinc/24/26/99/1073242699.db2.gz XTVCTAWTZPAGRN-CVEARBPZSA-N 1 2 391.472 0.039 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000442038091 1073242680 /nfs/dbraw/zinc/24/26/80/1073242680.db2.gz XTVCTAWTZPAGRN-HOTGVXAUSA-N 1 2 391.472 0.039 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)cn(C)c2=O)[C@H](C)C1 ZINC000442053335 1073242834 /nfs/dbraw/zinc/24/28/34/1073242834.db2.gz IAOWBLOOCTWEFM-CYBMUJFWSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)cn(C)c2=O)[C@H](C)C1 ZINC000442053335 1073242829 /nfs/dbraw/zinc/24/28/29/1073242829.db2.gz IAOWBLOOCTWEFM-CYBMUJFWSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)cn(C)c2=O)[C@@H](C)C1 ZINC000442053337 1073242489 /nfs/dbraw/zinc/24/24/89/1073242489.db2.gz IAOWBLOOCTWEFM-ZDUSSCGKSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)cn(C)c2=O)[C@@H](C)C1 ZINC000442053337 1073242483 /nfs/dbraw/zinc/24/24/83/1073242483.db2.gz IAOWBLOOCTWEFM-ZDUSSCGKSA-N 1 2 378.429 -0.272 20 0 GBADLO COCCc1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)n(C)n1 ZINC000442058727 1073243106 /nfs/dbraw/zinc/24/31/06/1073243106.db2.gz OEFOJJQGQTURRS-CYBMUJFWSA-N 1 2 395.460 -0.357 20 0 GBADLO COCCc1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)n(C)n1 ZINC000442058727 1073243102 /nfs/dbraw/zinc/24/31/02/1073243102.db2.gz OEFOJJQGQTURRS-CYBMUJFWSA-N 1 2 395.460 -0.357 20 0 GBADLO COCCc1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)n(C)n1 ZINC000442058729 1073243450 /nfs/dbraw/zinc/24/34/50/1073243450.db2.gz OEFOJJQGQTURRS-ZDUSSCGKSA-N 1 2 395.460 -0.357 20 0 GBADLO COCCc1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)n(C)n1 ZINC000442058729 1073243440 /nfs/dbraw/zinc/24/34/40/1073243440.db2.gz OEFOJJQGQTURRS-ZDUSSCGKSA-N 1 2 395.460 -0.357 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@H](C)C1 ZINC000442064880 1073245118 /nfs/dbraw/zinc/24/51/18/1073245118.db2.gz UNFDKCNOUTZDTI-GFCCVEGCSA-N 1 2 380.449 0.067 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@H](C)C1 ZINC000442064880 1073245114 /nfs/dbraw/zinc/24/51/14/1073245114.db2.gz UNFDKCNOUTZDTI-GFCCVEGCSA-N 1 2 380.449 0.067 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@@H](C)C1 ZINC000442064881 1073244703 /nfs/dbraw/zinc/24/47/03/1073244703.db2.gz UNFDKCNOUTZDTI-LBPRGKRZSA-N 1 2 380.449 0.067 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@@H](C)C1 ZINC000442064881 1073244695 /nfs/dbraw/zinc/24/46/95/1073244695.db2.gz UNFDKCNOUTZDTI-LBPRGKRZSA-N 1 2 380.449 0.067 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)c(=O)n(C)c2)[C@H](C)C1 ZINC000442067615 1073245082 /nfs/dbraw/zinc/24/50/82/1073245082.db2.gz YUKMPBCSUMWIIX-CYBMUJFWSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)c(=O)n(C)c2)[C@H](C)C1 ZINC000442067615 1073245078 /nfs/dbraw/zinc/24/50/78/1073245078.db2.gz YUKMPBCSUMWIIX-CYBMUJFWSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)c(=O)n(C)c2)[C@@H](C)C1 ZINC000442067616 1073244814 /nfs/dbraw/zinc/24/48/14/1073244814.db2.gz YUKMPBCSUMWIIX-ZDUSSCGKSA-N 1 2 378.429 -0.272 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)c(=O)n(C)c2)[C@@H](C)C1 ZINC000442067616 1073244808 /nfs/dbraw/zinc/24/48/08/1073244808.db2.gz YUKMPBCSUMWIIX-ZDUSSCGKSA-N 1 2 378.429 -0.272 20 0 GBADLO COCCn1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cn1 ZINC000442068854 1073244879 /nfs/dbraw/zinc/24/48/79/1073244879.db2.gz CWJUXPQXTYAYEO-CYBMUJFWSA-N 1 2 381.433 -0.436 20 0 GBADLO COCCn1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cn1 ZINC000442068854 1073244872 /nfs/dbraw/zinc/24/48/72/1073244872.db2.gz CWJUXPQXTYAYEO-CYBMUJFWSA-N 1 2 381.433 -0.436 20 0 GBADLO COCCn1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cn1 ZINC000442068855 1073245131 /nfs/dbraw/zinc/24/51/31/1073245131.db2.gz CWJUXPQXTYAYEO-ZDUSSCGKSA-N 1 2 381.433 -0.436 20 0 GBADLO COCCn1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cn1 ZINC000442068855 1073245127 /nfs/dbraw/zinc/24/51/27/1073245127.db2.gz CWJUXPQXTYAYEO-ZDUSSCGKSA-N 1 2 381.433 -0.436 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)[C@H](C)C1 ZINC000442072303 1073245199 /nfs/dbraw/zinc/24/51/99/1073245199.db2.gz GAHJTJBJTNVUEZ-LLVKDONJSA-N 1 2 394.403 -0.041 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)[C@H](C)C1 ZINC000442072303 1073245190 /nfs/dbraw/zinc/24/51/90/1073245190.db2.gz GAHJTJBJTNVUEZ-LLVKDONJSA-N 1 2 394.403 -0.041 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)[C@@H](C)C1 ZINC000442072304 1073245050 /nfs/dbraw/zinc/24/50/50/1073245050.db2.gz GAHJTJBJTNVUEZ-NSHDSACASA-N 1 2 394.403 -0.041 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)[C@@H](C)C1 ZINC000442072304 1073245043 /nfs/dbraw/zinc/24/50/43/1073245043.db2.gz GAHJTJBJTNVUEZ-NSHDSACASA-N 1 2 394.403 -0.041 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@H](C)C1 ZINC000442094750 1073244750 /nfs/dbraw/zinc/24/47/50/1073244750.db2.gz IUDGZGXWVSGIJB-LLVKDONJSA-N 1 2 387.387 0.183 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@H](C)C1 ZINC000442094750 1073244744 /nfs/dbraw/zinc/24/47/44/1073244744.db2.gz IUDGZGXWVSGIJB-LLVKDONJSA-N 1 2 387.387 0.183 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@@H](C)C1 ZINC000442094753 1073244927 /nfs/dbraw/zinc/24/49/27/1073244927.db2.gz IUDGZGXWVSGIJB-NSHDSACASA-N 1 2 387.387 0.183 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@@H](C)C1 ZINC000442094753 1073244920 /nfs/dbraw/zinc/24/49/20/1073244920.db2.gz IUDGZGXWVSGIJB-NSHDSACASA-N 1 2 387.387 0.183 20 0 GBADLO COCc1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)ncn1 ZINC000442102041 1073245841 /nfs/dbraw/zinc/24/58/41/1073245841.db2.gz JJPQMNNHPGVJIP-GFCCVEGCSA-N 1 2 379.417 -0.343 20 0 GBADLO COCc1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)ncn1 ZINC000442102041 1073245839 /nfs/dbraw/zinc/24/58/39/1073245839.db2.gz JJPQMNNHPGVJIP-GFCCVEGCSA-N 1 2 379.417 -0.343 20 0 GBADLO COCc1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)ncn1 ZINC000442102047 1073245828 /nfs/dbraw/zinc/24/58/28/1073245828.db2.gz JJPQMNNHPGVJIP-LBPRGKRZSA-N 1 2 379.417 -0.343 20 0 GBADLO COCc1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)ncn1 ZINC000442102047 1073245824 /nfs/dbraw/zinc/24/58/24/1073245824.db2.gz JJPQMNNHPGVJIP-LBPRGKRZSA-N 1 2 379.417 -0.343 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000442111788 1073245675 /nfs/dbraw/zinc/24/56/75/1073245675.db2.gz OSFJMSCZKGQKRX-HNNXBMFYSA-N 1 2 397.501 -0.520 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCSC[C@H]1CCO ZINC000442111789 1073245956 /nfs/dbraw/zinc/24/59/56/1073245956.db2.gz OSFJMSCZKGQKRX-OAHLLOKOSA-N 1 2 397.501 -0.520 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)[C@H](C)C1 ZINC000442112130 1073245906 /nfs/dbraw/zinc/24/59/06/1073245906.db2.gz USLSNZOVNSSETG-GFCCVEGCSA-N 1 2 378.433 -0.423 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)[C@H](C)C1 ZINC000442112130 1073245900 /nfs/dbraw/zinc/24/59/00/1073245900.db2.gz USLSNZOVNSSETG-GFCCVEGCSA-N 1 2 378.433 -0.423 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)[C@@H](C)C1 ZINC000442112133 1073245618 /nfs/dbraw/zinc/24/56/18/1073245618.db2.gz USLSNZOVNSSETG-LBPRGKRZSA-N 1 2 378.433 -0.423 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)[C@@H](C)C1 ZINC000442112133 1073245612 /nfs/dbraw/zinc/24/56/12/1073245612.db2.gz USLSNZOVNSSETG-LBPRGKRZSA-N 1 2 378.433 -0.423 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3C[C@@H](F)C[C@@H]3CO)ccn2)CC1 ZINC000442286747 1073257326 /nfs/dbraw/zinc/25/73/26/1073257326.db2.gz UUPPBVWNXWMLPR-GXTWGEPZSA-N 1 2 393.419 -0.661 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3C[C@@H](F)C[C@H]3CO)ccn2)CC1 ZINC000442286811 1073256901 /nfs/dbraw/zinc/25/69/01/1073256901.db2.gz UUPPBVWNXWMLPR-JSGCOSHPSA-N 1 2 393.419 -0.661 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3C[C@H](F)C[C@H]3CO)ccn2)CC1 ZINC000442286814 1073256921 /nfs/dbraw/zinc/25/69/21/1073256921.db2.gz UUPPBVWNXWMLPR-OCCSQVGLSA-N 1 2 393.419 -0.661 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3C[C@H](F)C[C@@H]3CO)ccn2)CC1 ZINC000442286816 1073257213 /nfs/dbraw/zinc/25/72/13/1073257213.db2.gz UUPPBVWNXWMLPR-TZMCWYRMSA-N 1 2 393.419 -0.661 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c1)[NH+]1CCOCC1 ZINC000442288528 1073257067 /nfs/dbraw/zinc/25/70/67/1073257067.db2.gz XJWBRXUNGYLDIU-COXVUDFISA-N 1 2 377.441 -0.028 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)c1)[NH+]1CCOCC1 ZINC000442288532 1073257194 /nfs/dbraw/zinc/25/71/94/1073257194.db2.gz XJWBRXUNGYLDIU-KBRIMQKVSA-N 1 2 377.441 -0.028 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)c1)[NH+]1CCOCC1 ZINC000442288535 1073257051 /nfs/dbraw/zinc/25/70/51/1073257051.db2.gz XJWBRXUNGYLDIU-XOKHGSTOSA-N 1 2 377.441 -0.028 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)c1)[NH+]1CCOCC1 ZINC000442288538 1073257311 /nfs/dbraw/zinc/25/73/11/1073257311.db2.gz XJWBRXUNGYLDIU-XYPHTWIQSA-N 1 2 377.441 -0.028 20 0 GBADLO C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)S(N)(=O)=O ZINC000442356812 1073259532 /nfs/dbraw/zinc/25/95/32/1073259532.db2.gz WJXYMJWXVGXAGQ-CYBMUJFWSA-N 1 2 397.501 -0.834 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)S(N)(=O)=O ZINC000442356813 1073260231 /nfs/dbraw/zinc/26/02/31/1073260231.db2.gz WJXYMJWXVGXAGQ-ZDUSSCGKSA-N 1 2 397.501 -0.834 20 0 GBADLO CN(CCCO)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000442379389 1073260643 /nfs/dbraw/zinc/26/06/43/1073260643.db2.gz RDLHJWWLJWDWNA-UHFFFAOYSA-N 1 2 385.490 -0.443 20 0 GBADLO NC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccc(-n4cc[nH+]c4)c3)C2)nn1 ZINC000442498802 1073266477 /nfs/dbraw/zinc/26/64/77/1073266477.db2.gz WDGFCOYWSMUYPG-UHFFFAOYSA-N 1 2 380.368 -0.415 20 0 GBADLO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000442513356 1073265949 /nfs/dbraw/zinc/26/59/49/1073265949.db2.gz BDYQZAZZYCCMDS-GDBMZVCRSA-N 1 2 395.460 -0.848 20 0 GBADLO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000442513359 1073265907 /nfs/dbraw/zinc/26/59/07/1073265907.db2.gz BDYQZAZZYCCMDS-GOEBONIOSA-N 1 2 395.460 -0.848 20 0 GBADLO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000442513361 1073266139 /nfs/dbraw/zinc/26/61/39/1073266139.db2.gz BDYQZAZZYCCMDS-HOCLYGCPSA-N 1 2 395.460 -0.848 20 0 GBADLO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000442513363 1073265708 /nfs/dbraw/zinc/26/57/08/1073265708.db2.gz BDYQZAZZYCCMDS-ZBFHGGJFSA-N 1 2 395.460 -0.848 20 0 GBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c1)[NH+]1CCOCC1 ZINC000442522482 1073267027 /nfs/dbraw/zinc/26/70/27/1073267027.db2.gz XJWBRXUNGYLDIU-JQFCIGGWSA-N 1 2 377.441 -0.028 20 0 GBADLO C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000442758796 1073272853 /nfs/dbraw/zinc/27/28/53/1073272853.db2.gz JSBSXHFQRUXSDL-CABCVRRESA-N 1 2 397.501 -0.058 20 0 GBADLO C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000442758796 1073272849 /nfs/dbraw/zinc/27/28/49/1073272849.db2.gz JSBSXHFQRUXSDL-CABCVRRESA-N 1 2 397.501 -0.058 20 0 GBADLO C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000442758797 1073272916 /nfs/dbraw/zinc/27/29/16/1073272916.db2.gz JSBSXHFQRUXSDL-GJZGRUSLSA-N 1 2 397.501 -0.058 20 0 GBADLO C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000442758797 1073272913 /nfs/dbraw/zinc/27/29/13/1073272913.db2.gz JSBSXHFQRUXSDL-GJZGRUSLSA-N 1 2 397.501 -0.058 20 0 GBADLO C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000442758798 1073272744 /nfs/dbraw/zinc/27/27/44/1073272744.db2.gz JSBSXHFQRUXSDL-HUUCEWRRSA-N 1 2 397.501 -0.058 20 0 GBADLO C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000442758798 1073272740 /nfs/dbraw/zinc/27/27/40/1073272740.db2.gz JSBSXHFQRUXSDL-HUUCEWRRSA-N 1 2 397.501 -0.058 20 0 GBADLO C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000442758799 1073272961 /nfs/dbraw/zinc/27/29/61/1073272961.db2.gz JSBSXHFQRUXSDL-LSDHHAIUSA-N 1 2 397.501 -0.058 20 0 GBADLO C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000442758799 1073272953 /nfs/dbraw/zinc/27/29/53/1073272953.db2.gz JSBSXHFQRUXSDL-LSDHHAIUSA-N 1 2 397.501 -0.058 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCc2cccc(N3CCC3=O)c2)CCO1 ZINC000442777529 1073272905 /nfs/dbraw/zinc/27/29/05/1073272905.db2.gz GDCVZSPUWMQANU-INIZCTEOSA-N 1 2 389.456 -0.249 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCc2cccc(N3CCC3=O)c2)CCO1 ZINC000442777529 1073272902 /nfs/dbraw/zinc/27/29/02/1073272902.db2.gz GDCVZSPUWMQANU-INIZCTEOSA-N 1 2 389.456 -0.249 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2cccc(N3CCC3=O)c2)CCO1 ZINC000442777536 1073272785 /nfs/dbraw/zinc/27/27/85/1073272785.db2.gz GDCVZSPUWMQANU-MRXNPFEDSA-N 1 2 389.456 -0.249 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2cccc(N3CCC3=O)c2)CCO1 ZINC000442777536 1073272777 /nfs/dbraw/zinc/27/27/77/1073272777.db2.gz GDCVZSPUWMQANU-MRXNPFEDSA-N 1 2 389.456 -0.249 20 0 GBADLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000442830426 530388802 /nfs/dbraw/zinc/38/88/02/530388802.db2.gz SGOHCODDBAODEE-INIZCTEOSA-N 1 2 375.491 -0.056 20 0 GBADLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000442830430 530389012 /nfs/dbraw/zinc/38/90/12/530389012.db2.gz SGOHCODDBAODEE-MRXNPFEDSA-N 1 2 375.491 -0.056 20 0 GBADLO CC[C@@]1(C)C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCO1 ZINC000442891693 1072247987 /nfs/dbraw/zinc/24/79/87/1072247987.db2.gz RWWONOYPWIOCSK-IBGZPJMESA-N 1 2 382.505 -0.510 20 0 GBADLO CC[C@@]1(C)C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCO1 ZINC000442891693 1072247978 /nfs/dbraw/zinc/24/79/78/1072247978.db2.gz RWWONOYPWIOCSK-IBGZPJMESA-N 1 2 382.505 -0.510 20 0 GBADLO CC[C@]1(C)C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCO1 ZINC000442891696 1072248789 /nfs/dbraw/zinc/24/87/89/1072248789.db2.gz RWWONOYPWIOCSK-LJQANCHMSA-N 1 2 382.505 -0.510 20 0 GBADLO CC[C@]1(C)C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCO1 ZINC000442891696 1072248783 /nfs/dbraw/zinc/24/87/83/1072248783.db2.gz RWWONOYPWIOCSK-LJQANCHMSA-N 1 2 382.505 -0.510 20 0 GBADLO COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442911085 1073275618 /nfs/dbraw/zinc/27/56/18/1073275618.db2.gz GVAZIQQQUJLIEH-AWEZNQCLSA-N 1 2 392.437 -0.016 20 0 GBADLO COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442911086 1073275608 /nfs/dbraw/zinc/27/56/08/1073275608.db2.gz GVAZIQQQUJLIEH-CQSZACIVSA-N 1 2 392.437 -0.016 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)NCCn1cc[nH+]c1)NCCn1ccnc1 ZINC000442914110 530389223 /nfs/dbraw/zinc/38/92/23/530389223.db2.gz SWIUTBDHJKHRON-UHFFFAOYSA-N 1 2 390.491 -0.991 20 0 GBADLO NS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000442941787 530389388 /nfs/dbraw/zinc/38/93/88/530389388.db2.gz GPLMBBYIWFLFHV-UHFFFAOYSA-N 1 2 385.471 -0.559 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000442943519 530389091 /nfs/dbraw/zinc/38/90/91/530389091.db2.gz KTXDKVIOXXRUDZ-CYBMUJFWSA-N 1 2 391.515 -0.159 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000442943522 530389256 /nfs/dbraw/zinc/38/92/56/530389256.db2.gz KTXDKVIOXXRUDZ-ZDUSSCGKSA-N 1 2 391.515 -0.159 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000442953373 530290400 /nfs/dbraw/zinc/29/04/00/530290400.db2.gz XUBDDBWUGUEKCH-UHFFFAOYSA-N 1 2 391.515 -0.328 20 0 GBADLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 ZINC000442954013 530389062 /nfs/dbraw/zinc/38/90/62/530389062.db2.gz CLLVDZUOARSEID-UHFFFAOYSA-N 1 2 391.515 -0.063 20 0 GBADLO O=C1NC[C@H]2CN(S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)CCN2C1=O ZINC000443022862 1073278729 /nfs/dbraw/zinc/27/87/29/1073278729.db2.gz XBBTWLVYEDUNGS-AWEZNQCLSA-N 1 2 389.437 -0.737 20 0 GBADLO O=C1NC[C@@H]2CN(S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)CCN2C1=O ZINC000443022890 1073278604 /nfs/dbraw/zinc/27/86/04/1073278604.db2.gz XBBTWLVYEDUNGS-CQSZACIVSA-N 1 2 389.437 -0.737 20 0 GBADLO NC(=O)c1cn(C2CN(S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)C2)nn1 ZINC000443037899 1073279382 /nfs/dbraw/zinc/27/93/82/1073279382.db2.gz CQZDVUZAKUFCIX-UHFFFAOYSA-N 1 2 387.425 -0.133 20 0 GBADLO O=C1NC(=O)N2CCN(S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)C[C@H]12 ZINC000443051483 1073278588 /nfs/dbraw/zinc/27/85/88/1073278588.db2.gz UBAKPGVAIKZIIC-CYBMUJFWSA-N 1 2 375.410 -0.144 20 0 GBADLO O=C1NC(=O)N2CCN(S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)C[C@@H]12 ZINC000443051487 1073278617 /nfs/dbraw/zinc/27/86/17/1073278617.db2.gz UBAKPGVAIKZIIC-ZDUSSCGKSA-N 1 2 375.410 -0.144 20 0 GBADLO CNC(=O)CS(=O)(=O)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000443054899 1073279177 /nfs/dbraw/zinc/27/91/77/1073279177.db2.gz VFMUZXNYWQYLHD-UHFFFAOYSA-N 1 2 397.501 -0.282 20 0 GBADLO COC(=O)c1nscc1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000443072081 530390160 /nfs/dbraw/zinc/39/01/60/530390160.db2.gz OQNXMFVUMWHOOK-UHFFFAOYSA-N 1 2 390.487 -0.239 20 0 GBADLO COC(=O)c1nscc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000443073414 530389903 /nfs/dbraw/zinc/38/99/03/530389903.db2.gz RBFNAOGMLOUUSM-SECBINFHSA-N 1 2 376.460 -0.452 20 0 GBADLO COC(=O)c1nscc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000443073414 530389902 /nfs/dbraw/zinc/38/99/02/530389902.db2.gz RBFNAOGMLOUUSM-SECBINFHSA-N 1 2 376.460 -0.452 20 0 GBADLO COC(=O)c1nscc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000443073435 530390112 /nfs/dbraw/zinc/39/01/12/530390112.db2.gz RBFNAOGMLOUUSM-VIFPVBQESA-N 1 2 376.460 -0.452 20 0 GBADLO COC(=O)c1nscc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000443073435 530390111 /nfs/dbraw/zinc/39/01/11/530390111.db2.gz RBFNAOGMLOUUSM-VIFPVBQESA-N 1 2 376.460 -0.452 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2csnc2C(=O)OC)CC1 ZINC000443101954 530390345 /nfs/dbraw/zinc/39/03/45/530390345.db2.gz FTHDXOUBJBGTNS-UHFFFAOYSA-N 1 2 376.460 -0.582 20 0 GBADLO CO[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000443130279 1073281461 /nfs/dbraw/zinc/28/14/61/1073281461.db2.gz HWXRVIDOCOBSOQ-CABCVRRESA-N 1 2 379.461 0.180 20 0 GBADLO CO[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1 ZINC000443130281 1073281161 /nfs/dbraw/zinc/28/11/61/1073281161.db2.gz HWXRVIDOCOBSOQ-GJZGRUSLSA-N 1 2 379.461 0.180 20 0 GBADLO CO[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000443130282 1073281379 /nfs/dbraw/zinc/28/13/79/1073281379.db2.gz HWXRVIDOCOBSOQ-HUUCEWRRSA-N 1 2 379.461 0.180 20 0 GBADLO CO[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1 ZINC000443130284 1073281560 /nfs/dbraw/zinc/28/15/60/1073281560.db2.gz HWXRVIDOCOBSOQ-LSDHHAIUSA-N 1 2 379.461 0.180 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000443168800 530390680 /nfs/dbraw/zinc/39/06/80/530390680.db2.gz OUBCATDQPKDERN-MRXNPFEDSA-N 1 2 390.527 -0.240 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000443168800 530390679 /nfs/dbraw/zinc/39/06/79/530390679.db2.gz OUBCATDQPKDERN-MRXNPFEDSA-N 1 2 390.527 -0.240 20 0 GBADLO COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443210615 1073284156 /nfs/dbraw/zinc/28/41/56/1073284156.db2.gz ITLKQAMXMGSWIH-CYBMUJFWSA-N 1 2 378.410 -0.407 20 0 GBADLO COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443210617 1073284424 /nfs/dbraw/zinc/28/44/24/1073284424.db2.gz ITLKQAMXMGSWIH-ZDUSSCGKSA-N 1 2 378.410 -0.407 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000443213459 530390674 /nfs/dbraw/zinc/39/06/74/530390674.db2.gz HKEGBTNVWXYNDW-UHFFFAOYSA-N 1 2 391.515 -0.328 20 0 GBADLO Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000443214223 1073283897 /nfs/dbraw/zinc/28/38/97/1073283897.db2.gz UCZUMTHNEZQLSS-UHFFFAOYSA-N 1 2 380.474 -0.046 20 0 GBADLO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)NCC(F)(F)F ZINC000443222736 530391058 /nfs/dbraw/zinc/39/10/58/530391058.db2.gz FIIRCUMEYYKGHH-UHFFFAOYSA-N 1 2 376.401 -0.895 20 0 GBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[NH+](CC(C)(C)O)CC3)cnc21 ZINC000443223432 1073284402 /nfs/dbraw/zinc/28/44/02/1073284402.db2.gz ZNITVHGYOPHMGJ-UHFFFAOYSA-N 1 2 397.457 -0.889 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000443229162 530390964 /nfs/dbraw/zinc/39/09/64/530390964.db2.gz ULTHVJAMQLLJPW-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000443229162 530390962 /nfs/dbraw/zinc/39/09/62/530390962.db2.gz ULTHVJAMQLLJPW-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000443229165 530390771 /nfs/dbraw/zinc/39/07/71/530390771.db2.gz ULTHVJAMQLLJPW-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000443229165 530390770 /nfs/dbraw/zinc/39/07/70/530390770.db2.gz ULTHVJAMQLLJPW-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO CCOC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)o1 ZINC000443236884 530390890 /nfs/dbraw/zinc/39/08/90/530390890.db2.gz HDGYMMASBYFAEU-HNNXBMFYSA-N 1 2 376.431 -0.182 20 0 GBADLO CCOC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)o1 ZINC000443236885 530391121 /nfs/dbraw/zinc/39/11/21/530391121.db2.gz HDGYMMASBYFAEU-OAHLLOKOSA-N 1 2 376.431 -0.182 20 0 GBADLO CC(=O)NCc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)s1 ZINC000443241856 530390954 /nfs/dbraw/zinc/39/09/54/530390954.db2.gz LTLQWZBZFGWOJP-HNNXBMFYSA-N 1 2 391.515 -0.254 20 0 GBADLO CC(=O)NCc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)s1 ZINC000443241857 530391078 /nfs/dbraw/zinc/39/10/78/530391078.db2.gz LTLQWZBZFGWOJP-OAHLLOKOSA-N 1 2 391.515 -0.254 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cs1 ZINC000443241934 530390973 /nfs/dbraw/zinc/39/09/73/530390973.db2.gz BGJFONYQVNCOHK-AWEZNQCLSA-N 1 2 378.472 -0.104 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cs1 ZINC000443241937 530390899 /nfs/dbraw/zinc/39/08/99/530390899.db2.gz BGJFONYQVNCOHK-CQSZACIVSA-N 1 2 378.472 -0.104 20 0 GBADLO C[C@](O)(CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCOCC1 ZINC000443244140 530391067 /nfs/dbraw/zinc/39/10/67/530391067.db2.gz YALSCPHTVZLERC-HNNXBMFYSA-N 1 2 392.499 -0.548 20 0 GBADLO C[C@@](O)(CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCOCC1 ZINC000443244144 530390797 /nfs/dbraw/zinc/39/07/97/530390797.db2.gz YALSCPHTVZLERC-OAHLLOKOSA-N 1 2 392.499 -0.548 20 0 GBADLO CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@H]1CCNC1=O ZINC000443244757 1073285541 /nfs/dbraw/zinc/28/55/41/1073285541.db2.gz HNIZFBNMVKWVDR-AWEZNQCLSA-N 1 2 375.429 -0.098 20 0 GBADLO CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@@H]1CCNC1=O ZINC000443244759 1073285526 /nfs/dbraw/zinc/28/55/26/1073285526.db2.gz HNIZFBNMVKWVDR-CQSZACIVSA-N 1 2 375.429 -0.098 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000443246612 530390783 /nfs/dbraw/zinc/39/07/83/530390783.db2.gz KMPGEWORTWTHGZ-INIZCTEOSA-N 1 2 390.527 -0.023 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000443246612 530390782 /nfs/dbraw/zinc/39/07/82/530390782.db2.gz KMPGEWORTWTHGZ-INIZCTEOSA-N 1 2 390.527 -0.023 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000443246614 530391092 /nfs/dbraw/zinc/39/10/92/530391092.db2.gz KMPGEWORTWTHGZ-MRXNPFEDSA-N 1 2 390.527 -0.023 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000443246614 530391091 /nfs/dbraw/zinc/39/10/91/530391091.db2.gz KMPGEWORTWTHGZ-MRXNPFEDSA-N 1 2 390.527 -0.023 20 0 GBADLO COC(=O)c1sccc1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000443247663 530391019 /nfs/dbraw/zinc/39/10/19/530391019.db2.gz UHVBOSMZBJBNOH-AWEZNQCLSA-N 1 2 378.472 -0.104 20 0 GBADLO COC(=O)c1sccc1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000443247664 530390927 /nfs/dbraw/zinc/39/09/27/530390927.db2.gz UHVBOSMZBJBNOH-CQSZACIVSA-N 1 2 378.472 -0.104 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cn1C ZINC000443249254 530391009 /nfs/dbraw/zinc/39/10/09/530391009.db2.gz MBQIKECDBZCUDN-HNNXBMFYSA-N 1 2 375.447 -0.827 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cn1C ZINC000443249255 530391032 /nfs/dbraw/zinc/39/10/32/530391032.db2.gz MBQIKECDBZCUDN-OAHLLOKOSA-N 1 2 375.447 -0.827 20 0 GBADLO COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)s1 ZINC000443252954 530390801 /nfs/dbraw/zinc/39/08/01/530390801.db2.gz FTSJLUSYLOSZQR-AWEZNQCLSA-N 1 2 378.472 -0.104 20 0 GBADLO COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)s1 ZINC000443252955 530391086 /nfs/dbraw/zinc/39/10/86/530391086.db2.gz FTSJLUSYLOSZQR-CQSZACIVSA-N 1 2 378.472 -0.104 20 0 GBADLO COC(=O)c1nscc1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000443253289 530390978 /nfs/dbraw/zinc/39/09/78/530390978.db2.gz QVKFWNBAVHEPLJ-CYBMUJFWSA-N 1 2 379.460 -0.709 20 0 GBADLO COC(=O)c1nscc1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000443253295 530390810 /nfs/dbraw/zinc/39/08/10/530390810.db2.gz QVKFWNBAVHEPLJ-ZDUSSCGKSA-N 1 2 379.460 -0.709 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)oc1C ZINC000443254743 530390792 /nfs/dbraw/zinc/39/07/92/530390792.db2.gz TUSQHQKKLUZNCR-HNNXBMFYSA-N 1 2 376.431 -0.264 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)oc1C ZINC000443254752 530390758 /nfs/dbraw/zinc/39/07/58/530390758.db2.gz TUSQHQKKLUZNCR-OAHLLOKOSA-N 1 2 376.431 -0.264 20 0 GBADLO COC(=O)c1csc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000443255991 530391070 /nfs/dbraw/zinc/39/10/70/530391070.db2.gz LJPKDENSXKCQFY-AWEZNQCLSA-N 1 2 378.472 -0.104 20 0 GBADLO COC(=O)c1csc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000443255992 530391051 /nfs/dbraw/zinc/39/10/51/530391051.db2.gz LJPKDENSXKCQFY-CQSZACIVSA-N 1 2 378.472 -0.104 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000443269213 1073288917 /nfs/dbraw/zinc/28/89/17/1073288917.db2.gz LJFGBBLVYBUKIE-ABAIWWIYSA-N 1 2 375.429 -0.194 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000443269251 1073288532 /nfs/dbraw/zinc/28/85/32/1073288532.db2.gz LJFGBBLVYBUKIE-IAQYHMDHSA-N 1 2 375.429 -0.194 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000443269256 1073288947 /nfs/dbraw/zinc/28/89/47/1073288947.db2.gz LJFGBBLVYBUKIE-NHYWBVRUSA-N 1 2 375.429 -0.194 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000443269259 1073288797 /nfs/dbraw/zinc/28/87/97/1073288797.db2.gz LJFGBBLVYBUKIE-XHDPSFHLSA-N 1 2 375.429 -0.194 20 0 GBADLO COC(=O)c1ccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)o1 ZINC000443271879 1073288614 /nfs/dbraw/zinc/28/86/14/1073288614.db2.gz JPYDTUWFFMGBCW-UHFFFAOYSA-N 1 2 389.474 -0.265 20 0 GBADLO COC(=O)c1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)o1 ZINC000443271879 1073288602 /nfs/dbraw/zinc/28/86/02/1073288602.db2.gz JPYDTUWFFMGBCW-UHFFFAOYSA-N 1 2 389.474 -0.265 20 0 GBADLO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000443282116 530391541 /nfs/dbraw/zinc/39/15/41/530391541.db2.gz HTBDEGLKTYFFAE-UHFFFAOYSA-N 1 2 394.515 -0.349 20 0 GBADLO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000443285523 530391503 /nfs/dbraw/zinc/39/15/03/530391503.db2.gz RHOJDDSZXVKPPM-UHFFFAOYSA-N 1 2 394.515 -0.349 20 0 GBADLO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000443289544 1073290692 /nfs/dbraw/zinc/29/06/92/1073290692.db2.gz DCNRNGWBJJKMRS-UHFFFAOYSA-N 1 2 375.429 -0.400 20 0 GBADLO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000443305526 530391363 /nfs/dbraw/zinc/39/13/63/530391363.db2.gz VXDWSRTVVQXYRA-UHFFFAOYSA-N 1 2 394.515 -0.349 20 0 GBADLO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000443316059 1073291529 /nfs/dbraw/zinc/29/15/29/1073291529.db2.gz FNYMRYQFHAMRTD-AWEZNQCLSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000443316059 1073291522 /nfs/dbraw/zinc/29/15/22/1073291522.db2.gz FNYMRYQFHAMRTD-AWEZNQCLSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000443316061 1073291735 /nfs/dbraw/zinc/29/17/35/1073291735.db2.gz FNYMRYQFHAMRTD-CQSZACIVSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000443316061 1073291732 /nfs/dbraw/zinc/29/17/32/1073291732.db2.gz FNYMRYQFHAMRTD-CQSZACIVSA-N 1 2 389.456 -0.012 20 0 GBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000443317043 1073292309 /nfs/dbraw/zinc/29/23/09/1073292309.db2.gz GEWJLMQGKKTOPI-AWEZNQCLSA-N 1 2 380.474 -0.046 20 0 GBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000443317048 1073292455 /nfs/dbraw/zinc/29/24/55/1073292455.db2.gz GEWJLMQGKKTOPI-CQSZACIVSA-N 1 2 380.474 -0.046 20 0 GBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000443317301 530391402 /nfs/dbraw/zinc/39/14/02/530391402.db2.gz XMHNSKXEUFNFFZ-GFCCVEGCSA-N 1 2 377.488 -0.589 20 0 GBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000443317302 530391423 /nfs/dbraw/zinc/39/14/23/530391423.db2.gz XMHNSKXEUFNFFZ-LBPRGKRZSA-N 1 2 377.488 -0.589 20 0 GBADLO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000443319111 1073292489 /nfs/dbraw/zinc/29/24/89/1073292489.db2.gz HSVBEIBVYYRCCA-AWEZNQCLSA-N 1 2 375.429 -0.090 20 0 GBADLO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000443319111 1073292487 /nfs/dbraw/zinc/29/24/87/1073292487.db2.gz HSVBEIBVYYRCCA-AWEZNQCLSA-N 1 2 375.429 -0.090 20 0 GBADLO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000443319112 1073292423 /nfs/dbraw/zinc/29/24/23/1073292423.db2.gz HSVBEIBVYYRCCA-CQSZACIVSA-N 1 2 375.429 -0.090 20 0 GBADLO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000443319112 1073292417 /nfs/dbraw/zinc/29/24/17/1073292417.db2.gz HSVBEIBVYYRCCA-CQSZACIVSA-N 1 2 375.429 -0.090 20 0 GBADLO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000443343408 1073292997 /nfs/dbraw/zinc/29/29/97/1073292997.db2.gz GKXUHDRSPMUGAP-AWEZNQCLSA-N 1 2 389.456 -0.012 20 0 GBADLO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000443343410 1073293177 /nfs/dbraw/zinc/29/31/77/1073293177.db2.gz GKXUHDRSPMUGAP-CQSZACIVSA-N 1 2 389.456 -0.012 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1C ZINC000443375923 530391391 /nfs/dbraw/zinc/39/13/91/530391391.db2.gz UUYVDQFTTMMJAF-GFCCVEGCSA-N 1 2 375.447 -0.875 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1C ZINC000443375925 530391538 /nfs/dbraw/zinc/39/15/38/530391538.db2.gz UUYVDQFTTMMJAF-LBPRGKRZSA-N 1 2 375.447 -0.875 20 0 GBADLO CNc1nc(N2C[C@H](C(N)=O)CC[C@@H]2C)[nH+]c(N2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC000443423686 1073294986 /nfs/dbraw/zinc/29/49/86/1073294986.db2.gz DIQZYHYXMGUCCZ-WUHRBBMRSA-N 1 2 390.492 -0.484 20 0 GBADLO NS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000443485966 530392252 /nfs/dbraw/zinc/39/22/52/530392252.db2.gz NVUIZCAVFRGRDF-DZGCQCFKSA-N 1 2 392.547 -0.343 20 0 GBADLO NS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000443485967 530392069 /nfs/dbraw/zinc/39/20/69/530392069.db2.gz NVUIZCAVFRGRDF-HIFRSBDPSA-N 1 2 392.547 -0.343 20 0 GBADLO NS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000443485968 530392059 /nfs/dbraw/zinc/39/20/59/530392059.db2.gz NVUIZCAVFRGRDF-UKRRQHHQSA-N 1 2 392.547 -0.343 20 0 GBADLO NS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000443485969 530392092 /nfs/dbraw/zinc/39/20/92/530392092.db2.gz NVUIZCAVFRGRDF-ZFWWWQNUSA-N 1 2 392.547 -0.343 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000443497289 1073303455 /nfs/dbraw/zinc/30/34/55/1073303455.db2.gz ZKJFMADLICDKKX-AWEZNQCLSA-N 1 2 397.505 -0.939 20 0 GBADLO NS(=O)(=O)C[C@H]1CCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000443497291 1073303500 /nfs/dbraw/zinc/30/35/00/1073303500.db2.gz ZKJFMADLICDKKX-CQSZACIVSA-N 1 2 397.505 -0.939 20 0 GBADLO COCCNc1nc(N2CC[C@H](C)[C@@H]2CO)[nH+]c(N2CC[C@H](C)[C@@H]2CO)n1 ZINC000443501023 1073303805 /nfs/dbraw/zinc/30/38/05/1073303805.db2.gz LUTHGENQFWMENT-AJNGGQMLSA-N 1 2 380.493 -0.234 20 0 GBADLO COCCNc1nc(N2CC[C@H](C)[C@@H]2CO)nc(N2CC[C@H](C)[C@@H]2CO)[nH+]1 ZINC000443501023 1073303797 /nfs/dbraw/zinc/30/37/97/1073303797.db2.gz LUTHGENQFWMENT-AJNGGQMLSA-N 1 2 380.493 -0.234 20 0 GBADLO NS(=O)(=O)CCN1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000443519942 1073305726 /nfs/dbraw/zinc/30/57/26/1073305726.db2.gz JQXRQVNDMJILMQ-UHFFFAOYSA-N 1 2 392.485 -0.012 20 0 GBADLO CN(C)c1ccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c[nH+]1 ZINC000443524622 530392516 /nfs/dbraw/zinc/39/25/16/530392516.db2.gz XBFCRNFHAPMLTB-UHFFFAOYSA-N 1 2 377.492 -0.941 20 0 GBADLO CN(C)c1[nH+]cccc1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443531086 530392582 /nfs/dbraw/zinc/39/25/82/530392582.db2.gz KKGODCRKFLURRG-UHFFFAOYSA-N 1 2 377.492 -0.941 20 0 GBADLO CO[C@@H](C)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000443540266 1073307782 /nfs/dbraw/zinc/30/77/82/1073307782.db2.gz QSRVAHKTRLYTDM-AWEZNQCLSA-N 1 2 385.490 -0.133 20 0 GBADLO CO[C@H](C)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000443540268 1073308138 /nfs/dbraw/zinc/30/81/38/1073308138.db2.gz QSRVAHKTRLYTDM-CQSZACIVSA-N 1 2 385.490 -0.133 20 0 GBADLO C[C@H](CO)N(C[C@H](C)O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000443582724 1073310217 /nfs/dbraw/zinc/31/02/17/1073310217.db2.gz OTLIBZFFSKUNGU-CVEARBPZSA-N 1 2 393.488 -0.107 20 0 GBADLO C[C@H](O)CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CO ZINC000443582725 1073310226 /nfs/dbraw/zinc/31/02/26/1073310226.db2.gz OTLIBZFFSKUNGU-HOTGVXAUSA-N 1 2 393.488 -0.107 20 0 GBADLO C[C@@H](O)CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)CO ZINC000443582726 1073310358 /nfs/dbraw/zinc/31/03/58/1073310358.db2.gz OTLIBZFFSKUNGU-HZPDHXFCSA-N 1 2 393.488 -0.107 20 0 GBADLO C[C@@H](O)CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CO ZINC000443582727 1073310344 /nfs/dbraw/zinc/31/03/44/1073310344.db2.gz OTLIBZFFSKUNGU-JKSUJKDBSA-N 1 2 393.488 -0.107 20 0 GBADLO CC[C@]1(C)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000443655814 1073315539 /nfs/dbraw/zinc/31/55/39/1073315539.db2.gz LDQJYOYEUXODBS-GOSISDBHSA-N 1 2 379.461 0.181 20 0 GBADLO CC[C@@]1(C)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000443655817 1073315470 /nfs/dbraw/zinc/31/54/70/1073315470.db2.gz LDQJYOYEUXODBS-SFHVURJKSA-N 1 2 379.461 0.181 20 0 GBADLO CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000443681717 1073318199 /nfs/dbraw/zinc/31/81/99/1073318199.db2.gz DWWCELHZSOBMJX-UHFFFAOYSA-N 1 2 379.442 -0.021 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000443741820 530392997 /nfs/dbraw/zinc/39/29/97/530392997.db2.gz DQNDDCLPUSAOSI-UHFFFAOYSA-N 1 2 385.552 -0.454 20 0 GBADLO CC[C@]1(CO)CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000443762365 1073337331 /nfs/dbraw/zinc/33/73/31/1073337331.db2.gz WCPMTYDOMPASEB-GOSISDBHSA-N 1 2 379.461 -0.083 20 0 GBADLO CC[C@@]1(CO)CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000443762366 1073337418 /nfs/dbraw/zinc/33/74/18/1073337418.db2.gz WCPMTYDOMPASEB-SFHVURJKSA-N 1 2 379.461 -0.083 20 0 GBADLO COc1cc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000443781522 1073356900 /nfs/dbraw/zinc/35/69/00/1073356900.db2.gz AIWRCDQCXKYVLV-GFCCVEGCSA-N 1 2 387.458 -0.179 20 0 GBADLO COc1cc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000443781522 1073356889 /nfs/dbraw/zinc/35/68/89/1073356889.db2.gz AIWRCDQCXKYVLV-GFCCVEGCSA-N 1 2 387.458 -0.179 20 0 GBADLO COc1cc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000443781524 1073356584 /nfs/dbraw/zinc/35/65/84/1073356584.db2.gz AIWRCDQCXKYVLV-LBPRGKRZSA-N 1 2 387.458 -0.179 20 0 GBADLO COc1cc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc(OC)c1OCC(N)=O ZINC000443781524 1073356577 /nfs/dbraw/zinc/35/65/77/1073356577.db2.gz AIWRCDQCXKYVLV-LBPRGKRZSA-N 1 2 387.458 -0.179 20 0 GBADLO CC1(C)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC(C)(C)O1 ZINC000443813670 1073373609 /nfs/dbraw/zinc/37/36/09/1073373609.db2.gz SHNHVESQPXABTO-UHFFFAOYSA-N 1 2 393.488 0.570 20 0 GBADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@H]1CO ZINC000443816901 1073374383 /nfs/dbraw/zinc/37/43/83/1073374383.db2.gz ORVMHZYMTYJFDM-BBRMVZONSA-N 1 2 389.456 -0.363 20 0 GBADLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@H]1CO ZINC000443816903 1073374073 /nfs/dbraw/zinc/37/40/73/1073374073.db2.gz ORVMHZYMTYJFDM-CJNGLKHVSA-N 1 2 389.456 -0.363 20 0 GBADLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@@H]1CO ZINC000443816905 1073374332 /nfs/dbraw/zinc/37/43/32/1073374332.db2.gz ORVMHZYMTYJFDM-CZUORRHYSA-N 1 2 389.456 -0.363 20 0 GBADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@@H]1CO ZINC000443816907 1073373779 /nfs/dbraw/zinc/37/37/79/1073373779.db2.gz ORVMHZYMTYJFDM-XJKSGUPXSA-N 1 2 389.456 -0.363 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO ZINC000443839534 1073377801 /nfs/dbraw/zinc/37/78/01/1073377801.db2.gz HXYWAMDOUTVMBL-CHWSQXEVSA-N 1 2 380.445 -0.245 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000443839535 1073377455 /nfs/dbraw/zinc/37/74/55/1073377455.db2.gz HXYWAMDOUTVMBL-OLZOCXBDSA-N 1 2 380.445 -0.245 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO ZINC000443839536 1073377297 /nfs/dbraw/zinc/37/72/97/1073377297.db2.gz HXYWAMDOUTVMBL-QWHCGFSZSA-N 1 2 380.445 -0.245 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000443839537 1073377437 /nfs/dbraw/zinc/37/74/37/1073377437.db2.gz HXYWAMDOUTVMBL-STQMWFEESA-N 1 2 380.445 -0.245 20 0 GBADLO CCOC1CC(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)([NH+]2CCOCC2)C1 ZINC000443857833 1073378061 /nfs/dbraw/zinc/37/80/61/1073378061.db2.gz JBQDDUVPBSOBHO-CKDBGZEDSA-N 1 2 391.534 -0.054 20 0 GBADLO CCOC1CC(CNC(=O)[C@H](NS(C)(=O)=O)C(C)C)([NH+]2CCOCC2)C1 ZINC000443857835 1073378383 /nfs/dbraw/zinc/37/83/83/1073378383.db2.gz JBQDDUVPBSOBHO-ISXOHVOVSA-N 1 2 391.534 -0.054 20 0 GBADLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000443863886 530393163 /nfs/dbraw/zinc/39/31/63/530393163.db2.gz SFVODXRFEGVHOW-AWEZNQCLSA-N 1 2 389.499 -0.430 20 0 GBADLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000443863886 530393160 /nfs/dbraw/zinc/39/31/60/530393160.db2.gz SFVODXRFEGVHOW-AWEZNQCLSA-N 1 2 389.499 -0.430 20 0 GBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000443863892 530393378 /nfs/dbraw/zinc/39/33/78/530393378.db2.gz SFVODXRFEGVHOW-CQSZACIVSA-N 1 2 389.499 -0.430 20 0 GBADLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000443863892 530393377 /nfs/dbraw/zinc/39/33/77/530393377.db2.gz SFVODXRFEGVHOW-CQSZACIVSA-N 1 2 389.499 -0.430 20 0 GBADLO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)nc1 ZINC000443885590 1073379070 /nfs/dbraw/zinc/37/90/70/1073379070.db2.gz ABXSAWKVTWBMMM-AWEZNQCLSA-N 1 2 397.501 -0.641 20 0 GBADLO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)nc1 ZINC000443885591 1073379273 /nfs/dbraw/zinc/37/92/73/1073379273.db2.gz ABXSAWKVTWBMMM-CQSZACIVSA-N 1 2 397.501 -0.641 20 0 GBADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncnc(-n3cccn3)c2N)CC1 ZINC000443888385 1073379745 /nfs/dbraw/zinc/37/97/45/1073379745.db2.gz KKHAIABEMNHPBC-AWEZNQCLSA-N 1 2 386.460 -0.386 20 0 GBADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncnc(-n3cccn3)c2N)CC1 ZINC000443888393 1073379761 /nfs/dbraw/zinc/37/97/61/1073379761.db2.gz KKHAIABEMNHPBC-CQSZACIVSA-N 1 2 386.460 -0.386 20 0 GBADLO CCOC1CC(CNc2ccc(C(=O)NCCO)nn2)([NH+]2CCOCC2)C1 ZINC000443969524 1073397491 /nfs/dbraw/zinc/39/74/91/1073397491.db2.gz YNZOOGCWMKVDOR-UHFFFAOYSA-N 1 2 379.461 -0.120 20 0 GBADLO O=C(CN1CN=NC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000444006585 1073431470 /nfs/dbraw/zinc/43/14/70/1073431470.db2.gz BEWYBQAPGOGUEO-CYBMUJFWSA-N 1 2 388.432 -0.605 20 0 GBADLO O=C(CN1CN=NC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000444006585 1073431464 /nfs/dbraw/zinc/43/14/64/1073431464.db2.gz BEWYBQAPGOGUEO-CYBMUJFWSA-N 1 2 388.432 -0.605 20 0 GBADLO O=C(CN1CN=NC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000444006588 1073432642 /nfs/dbraw/zinc/43/26/42/1073432642.db2.gz BEWYBQAPGOGUEO-ZDUSSCGKSA-N 1 2 388.432 -0.605 20 0 GBADLO O=C(CN1CN=NC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000444006588 1073432639 /nfs/dbraw/zinc/43/26/39/1073432639.db2.gz BEWYBQAPGOGUEO-ZDUSSCGKSA-N 1 2 388.432 -0.605 20 0 GBADLO CCOC1CC(CNC(=O)NCCNS(C)(=O)=O)([NH+]2CCOCC2)C1 ZINC000444043502 530393411 /nfs/dbraw/zinc/39/34/11/530393411.db2.gz FBLUDIYJZDFPKY-UHFFFAOYSA-N 1 2 378.495 -0.895 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000444050574 1073434050 /nfs/dbraw/zinc/43/40/50/1073434050.db2.gz IWVYGXMAFMZDND-HNNXBMFYSA-N 1 2 386.518 -0.575 20 0 GBADLO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 ZINC000444050577 1073433295 /nfs/dbraw/zinc/43/32/95/1073433295.db2.gz IWVYGXMAFMZDND-OAHLLOKOSA-N 1 2 386.518 -0.575 20 0 GBADLO COCC[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000444067005 530393843 /nfs/dbraw/zinc/39/38/43/530393843.db2.gz XMGWQRLIJOVREX-UHFFFAOYSA-N 1 2 391.515 -0.110 20 0 GBADLO CCOC1CC(CNC(=O)NCCS(=O)(=O)NC)([NH+]2CCOCC2)C1 ZINC000444104332 530393747 /nfs/dbraw/zinc/39/37/47/530393747.db2.gz XOEVFUKKQIVSLX-UHFFFAOYSA-N 1 2 378.495 -0.895 20 0 GBADLO CCOC(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000444112639 1073456342 /nfs/dbraw/zinc/45/63/42/1073456342.db2.gz LZEQZYVHCZFQSS-UHFFFAOYSA-N 1 2 391.538 -0.379 20 0 GBADLO CCOC1CC(CNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)([NH+]2CCOCC2)C1 ZINC000444130419 1073457154 /nfs/dbraw/zinc/45/71/54/1073457154.db2.gz VBNFNXCGDXVZJN-CQDIZWNASA-N 1 2 384.477 -0.412 20 0 GBADLO CCOC1CC(CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)([NH+]2CCOCC2)C1 ZINC000444130420 1073457009 /nfs/dbraw/zinc/45/70/09/1073457009.db2.gz VBNFNXCGDXVZJN-GBRKPNRJSA-N 1 2 384.477 -0.412 20 0 GBADLO CCOC1CC(CNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)([NH+]2CCOCC2)C1 ZINC000444130421 1073457115 /nfs/dbraw/zinc/45/71/15/1073457115.db2.gz VBNFNXCGDXVZJN-XYSPPFBYSA-N 1 2 384.477 -0.412 20 0 GBADLO CCOC1CC(CNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)([NH+]2CCOCC2)C1 ZINC000444130422 1073457192 /nfs/dbraw/zinc/45/71/92/1073457192.db2.gz VBNFNXCGDXVZJN-YOFIQYCBSA-N 1 2 384.477 -0.412 20 0 GBADLO CCOC1CC(CNC(=O)NCCN2C(=O)CNC2=O)([NH+]2CCOCC2)C1 ZINC000444152562 1073458911 /nfs/dbraw/zinc/45/89/11/1073458911.db2.gz JRVJDLMZNFRLGE-UHFFFAOYSA-N 1 2 383.449 -0.893 20 0 GBADLO CCOC1CC(CNC(=O)NCCNc2cnccn2)([NH+]2CCOCC2)C1 ZINC000444152836 1073459092 /nfs/dbraw/zinc/45/90/92/1073459092.db2.gz PENLSRJHPATGAR-UHFFFAOYSA-N 1 2 378.477 0.458 20 0 GBADLO CCOC1CC(CNC(=O)NCCCN2C(=O)CNC2=O)([NH+]2CCOCC2)C1 ZINC000444155304 1073460430 /nfs/dbraw/zinc/46/04/30/1073460430.db2.gz KXXSDXNRERSSAV-UHFFFAOYSA-N 1 2 397.476 -0.503 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000444198572 530393973 /nfs/dbraw/zinc/39/39/73/530393973.db2.gz PYTRLEHQEBDTDA-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000444198572 530393970 /nfs/dbraw/zinc/39/39/70/530393970.db2.gz PYTRLEHQEBDTDA-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000444198573 530394351 /nfs/dbraw/zinc/39/43/51/530394351.db2.gz PYTRLEHQEBDTDA-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000444198573 530394350 /nfs/dbraw/zinc/39/43/50/530394350.db2.gz PYTRLEHQEBDTDA-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000444217352 530394028 /nfs/dbraw/zinc/39/40/28/530394028.db2.gz DOPHITFOPUYOKS-GFCCVEGCSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000444217352 530394026 /nfs/dbraw/zinc/39/40/26/530394026.db2.gz DOPHITFOPUYOKS-GFCCVEGCSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000444217365 530394128 /nfs/dbraw/zinc/39/41/28/530394128.db2.gz DOPHITFOPUYOKS-LBPRGKRZSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000444217365 530394126 /nfs/dbraw/zinc/39/41/26/530394126.db2.gz DOPHITFOPUYOKS-LBPRGKRZSA-N 1 2 391.515 -0.200 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444219016 530114938 /nfs/dbraw/zinc/11/49/38/530114938.db2.gz GZUUOJBNCUJMBH-CYBMUJFWSA-N 1 2 391.515 -0.328 20 0 GBADLO COc1cccc(OCC[NH+]2CCN(C(=O)CN3CCN(C)C(=O)C3)CC2)c1 ZINC000444236640 1073468577 /nfs/dbraw/zinc/46/85/77/1073468577.db2.gz CWBPFGFZXXPZTI-UHFFFAOYSA-N 1 2 390.484 -0.008 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2CN2CCOCC2)c(=O)[nH]c1=O ZINC000444242478 1073469607 /nfs/dbraw/zinc/46/96/07/1073469607.db2.gz OGYRZUBEMYJNFX-CYBMUJFWSA-N 1 2 379.461 -0.080 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c(=O)[nH]c1=O ZINC000444242478 1073469600 /nfs/dbraw/zinc/46/96/00/1073469600.db2.gz OGYRZUBEMYJNFX-CYBMUJFWSA-N 1 2 379.461 -0.080 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2CN2CCOCC2)c(=O)[nH]c1=O ZINC000444242481 1073469573 /nfs/dbraw/zinc/46/95/73/1073469573.db2.gz OGYRZUBEMYJNFX-ZDUSSCGKSA-N 1 2 379.461 -0.080 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(=O)[nH]c1=O ZINC000444242481 1073469563 /nfs/dbraw/zinc/46/95/63/1073469563.db2.gz OGYRZUBEMYJNFX-ZDUSSCGKSA-N 1 2 379.461 -0.080 20 0 GBADLO O=C(NCC(F)F)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000444251342 1073470957 /nfs/dbraw/zinc/47/09/57/1073470957.db2.gz URTCDVGWBRGENO-UHFFFAOYSA-N 1 2 384.387 -0.657 20 0 GBADLO O=C(NCC(F)F)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000444251342 1073470945 /nfs/dbraw/zinc/47/09/45/1073470945.db2.gz URTCDVGWBRGENO-UHFFFAOYSA-N 1 2 384.387 -0.657 20 0 GBADLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000444258756 530394178 /nfs/dbraw/zinc/39/41/78/530394178.db2.gz IOHMELIBURHYDH-HNNXBMFYSA-N 1 2 377.507 -0.535 20 0 GBADLO COC(=O)C[N@@H+](CCN1CCOCC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000444258756 530394177 /nfs/dbraw/zinc/39/41/77/530394177.db2.gz IOHMELIBURHYDH-HNNXBMFYSA-N 1 2 377.507 -0.535 20 0 GBADLO COC(=O)C[N@H+](CCN1CCOCC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000444258756 530394176 /nfs/dbraw/zinc/39/41/76/530394176.db2.gz IOHMELIBURHYDH-HNNXBMFYSA-N 1 2 377.507 -0.535 20 0 GBADLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000444258757 530394196 /nfs/dbraw/zinc/39/41/96/530394196.db2.gz IOHMELIBURHYDH-OAHLLOKOSA-N 1 2 377.507 -0.535 20 0 GBADLO COC(=O)C[N@@H+](CCN1CCOCC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000444258757 530394194 /nfs/dbraw/zinc/39/41/94/530394194.db2.gz IOHMELIBURHYDH-OAHLLOKOSA-N 1 2 377.507 -0.535 20 0 GBADLO COC(=O)C[N@H+](CCN1CCOCC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000444258757 530394193 /nfs/dbraw/zinc/39/41/93/530394193.db2.gz IOHMELIBURHYDH-OAHLLOKOSA-N 1 2 377.507 -0.535 20 0 GBADLO O=C(NCC(F)F)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000444258911 1073470880 /nfs/dbraw/zinc/47/08/80/1073470880.db2.gz KVDUGIPXIMZOMM-GFCCVEGCSA-N 1 2 398.414 -0.221 20 0 GBADLO O=C(NCC(F)F)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000444258911 1073470876 /nfs/dbraw/zinc/47/08/76/1073470876.db2.gz KVDUGIPXIMZOMM-GFCCVEGCSA-N 1 2 398.414 -0.221 20 0 GBADLO O=C(NCC(F)F)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000444258912 1073470574 /nfs/dbraw/zinc/47/05/74/1073470574.db2.gz KVDUGIPXIMZOMM-LBPRGKRZSA-N 1 2 398.414 -0.221 20 0 GBADLO O=C(NCC(F)F)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000444258912 1073470570 /nfs/dbraw/zinc/47/05/70/1073470570.db2.gz KVDUGIPXIMZOMM-LBPRGKRZSA-N 1 2 398.414 -0.221 20 0 GBADLO COCCN1CCN(C(=O)CC(C)CC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000444267690 1073470551 /nfs/dbraw/zinc/47/05/51/1073470551.db2.gz NBAWEPPKYNQXCY-UHFFFAOYSA-N 1 2 398.548 -0.016 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000444275093 530115722 /nfs/dbraw/zinc/11/57/22/530115722.db2.gz GUTLBRTXGNUNMQ-GFCCVEGCSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000444275093 530115718 /nfs/dbraw/zinc/11/57/18/530115718.db2.gz GUTLBRTXGNUNMQ-GFCCVEGCSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000444275094 530115478 /nfs/dbraw/zinc/11/54/78/530115478.db2.gz GUTLBRTXGNUNMQ-LBPRGKRZSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000444275094 530115476 /nfs/dbraw/zinc/11/54/76/530115476.db2.gz GUTLBRTXGNUNMQ-LBPRGKRZSA-N 1 2 391.515 -0.200 20 0 GBADLO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444380143 1073512884 /nfs/dbraw/zinc/51/28/84/1073512884.db2.gz DSUYLIDVSGFTRL-LLVKDONJSA-N 1 2 387.458 -0.510 20 0 GBADLO Cn1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1=O ZINC000444509286 1073537065 /nfs/dbraw/zinc/53/70/65/1073537065.db2.gz VLKGBWIEDUSROC-UHFFFAOYSA-N 1 2 389.456 -0.520 20 0 GBADLO Cn1cccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1=O ZINC000444509286 1073537049 /nfs/dbraw/zinc/53/70/49/1073537049.db2.gz VLKGBWIEDUSROC-UHFFFAOYSA-N 1 2 389.456 -0.520 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC1 ZINC000444519035 1073536564 /nfs/dbraw/zinc/53/65/64/1073536564.db2.gz KQRGKLNPFBYISG-UHFFFAOYSA-N 1 2 377.445 -0.097 20 0 GBADLO CCOC1CC(CNC(=O)Cn2cc(C(=O)OC)nn2)([NH+]2CCOCC2)C1 ZINC000444554371 1073538071 /nfs/dbraw/zinc/53/80/71/1073538071.db2.gz ULHRYDOTSDNNPD-UHFFFAOYSA-N 1 2 381.433 -0.549 20 0 GBADLO CCO[C@@H]1C[C@](CO)(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000444569560 1073539585 /nfs/dbraw/zinc/53/95/85/1073539585.db2.gz JTFAEXYKTMXRGB-JXXFODFXSA-N 1 2 397.516 -0.151 20 0 GBADLO CCO[C@@H]1C[C@@](CO)(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000444569561 1073540008 /nfs/dbraw/zinc/54/00/08/1073540008.db2.gz JTFAEXYKTMXRGB-QINHECLXSA-N 1 2 397.516 -0.151 20 0 GBADLO CCO[C@@H]1C[C@](CO)(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000444569562 1073539546 /nfs/dbraw/zinc/53/95/46/1073539546.db2.gz JTFAEXYKTMXRGB-RZQQEMMASA-N 1 2 397.516 -0.151 20 0 GBADLO CCO[C@@H]1C[C@@](CO)(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000444569564 1073539300 /nfs/dbraw/zinc/53/93/00/1073539300.db2.gz JTFAEXYKTMXRGB-YRNRMSPPSA-N 1 2 397.516 -0.151 20 0 GBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000444571533 1073539404 /nfs/dbraw/zinc/53/94/04/1073539404.db2.gz MVTLBYYREDQZAY-UHFFFAOYSA-N 1 2 395.423 0.412 20 0 GBADLO CCOC1CC(CNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)([NH+]2CCOCC2)C1 ZINC000444575218 1073541038 /nfs/dbraw/zinc/54/10/38/1073541038.db2.gz SIQWOWRMHGTJJJ-DOHUUOFWSA-N 1 2 383.489 -0.352 20 0 GBADLO CCOC1CC(CNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)([NH+]2CCOCC2)C1 ZINC000444575224 1073540954 /nfs/dbraw/zinc/54/09/54/1073540954.db2.gz SIQWOWRMHGTJJJ-KQZBIBICSA-N 1 2 383.489 -0.352 20 0 GBADLO CCOC1CC(CNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)([NH+]2CCOCC2)C1 ZINC000444575226 1073540419 /nfs/dbraw/zinc/54/04/19/1073540419.db2.gz SIQWOWRMHGTJJJ-NOFHKNGASA-N 1 2 383.489 -0.352 20 0 GBADLO CCOC1CC(CNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)([NH+]2CCOCC2)C1 ZINC000444575228 1073540756 /nfs/dbraw/zinc/54/07/56/1073540756.db2.gz SIQWOWRMHGTJJJ-QGILYTQXSA-N 1 2 383.489 -0.352 20 0 GBADLO COCCn1ccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)n1 ZINC000444590786 1073540791 /nfs/dbraw/zinc/54/07/91/1073540791.db2.gz CKXLHIZXLNAYSY-HNNXBMFYSA-N 1 2 381.477 0.331 20 0 GBADLO COCCn1ccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)n1 ZINC000444590794 1073540901 /nfs/dbraw/zinc/54/09/01/1073540901.db2.gz CKXLHIZXLNAYSY-OAHLLOKOSA-N 1 2 381.477 0.331 20 0 GBADLO CCOCC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000444597566 530394547 /nfs/dbraw/zinc/39/45/47/530394547.db2.gz MQNCDCGSFZNSTM-JYJNAYRXSA-N 1 2 379.523 -0.255 20 0 GBADLO CCOCC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000444597567 530394645 /nfs/dbraw/zinc/39/46/45/530394645.db2.gz MQNCDCGSFZNSTM-OAGGEKHMSA-N 1 2 379.523 -0.255 20 0 GBADLO CCOCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000444597568 530394759 /nfs/dbraw/zinc/39/47/59/530394759.db2.gz MQNCDCGSFZNSTM-OWCLPIDISA-N 1 2 379.523 -0.255 20 0 GBADLO CCOCC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000444597569 530394537 /nfs/dbraw/zinc/39/45/37/530394537.db2.gz MQNCDCGSFZNSTM-XHSDSOJGSA-N 1 2 379.523 -0.255 20 0 GBADLO CCCN(C(=O)[C@@H](C)N1CC[NH+](C[C@@H](C)O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000444671650 530394594 /nfs/dbraw/zinc/39/45/94/530394594.db2.gz DAXXKJNKKOHFDJ-BZUAXINKSA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@@H](C)N1CC[NH+](C[C@@H](C)O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000444671656 530394543 /nfs/dbraw/zinc/39/45/43/530394543.db2.gz DAXXKJNKKOHFDJ-OAGGEKHMSA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[NH+](C[C@@H](C)O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000444671658 530394587 /nfs/dbraw/zinc/39/45/87/530394587.db2.gz DAXXKJNKKOHFDJ-OWCLPIDISA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[NH+](C[C@@H](C)O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000444671659 530394720 /nfs/dbraw/zinc/39/47/20/530394720.db2.gz DAXXKJNKKOHFDJ-PMPSAXMXSA-N 1 2 375.535 -0.201 20 0 GBADLO CC(C)CN(C(=O)CN1CC[NH+](C[C@@H](C)O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000444680079 530394739 /nfs/dbraw/zinc/39/47/39/530394739.db2.gz DHFFNFLSFVUOEN-CVEARBPZSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)CN(C(=O)CN1CC[NH+](C[C@@H](C)O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000444680080 530394627 /nfs/dbraw/zinc/39/46/27/530394627.db2.gz DHFFNFLSFVUOEN-HZPDHXFCSA-N 1 2 375.535 -0.344 20 0 GBADLO CCCCN(C(=O)CN1CC[NH+](C[C@@H](C)O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000444687917 530394702 /nfs/dbraw/zinc/39/47/02/530394702.db2.gz WYHLBSACTCUACB-CVEARBPZSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCN(C(=O)CN1CC[NH+](C[C@@H](C)O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000444687919 530394699 /nfs/dbraw/zinc/39/46/99/530394699.db2.gz WYHLBSACTCUACB-HZPDHXFCSA-N 1 2 375.535 -0.199 20 0 GBADLO COCc1noc(CN2CC[NH+](C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000444734751 1072423758 /nfs/dbraw/zinc/42/37/58/1072423758.db2.gz NWXUSAXMDLTFKX-JYJNAYRXSA-N 1 2 383.493 -0.196 20 0 GBADLO COCc1noc(CN2CC[NH+](C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000444734766 1072423858 /nfs/dbraw/zinc/42/38/58/1072423858.db2.gz NWXUSAXMDLTFKX-OAGGEKHMSA-N 1 2 383.493 -0.196 20 0 GBADLO COCc1noc(CN2CC[NH+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000444734767 1072423611 /nfs/dbraw/zinc/42/36/11/1072423611.db2.gz NWXUSAXMDLTFKX-OWCLPIDISA-N 1 2 383.493 -0.196 20 0 GBADLO COCc1noc(CN2CC[NH+](C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000444734768 1072423953 /nfs/dbraw/zinc/42/39/53/1072423953.db2.gz NWXUSAXMDLTFKX-XHSDSOJGSA-N 1 2 383.493 -0.196 20 0 GBADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000444739072 1073548402 /nfs/dbraw/zinc/54/84/02/1073548402.db2.gz UKXVRIAERBVJQW-DZGCQCFKSA-N 1 2 385.442 -0.339 20 0 GBADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000444739072 1073548395 /nfs/dbraw/zinc/54/83/95/1073548395.db2.gz UKXVRIAERBVJQW-DZGCQCFKSA-N 1 2 385.442 -0.339 20 0 GBADLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000444739074 1073547895 /nfs/dbraw/zinc/54/78/95/1073547895.db2.gz UKXVRIAERBVJQW-HIFRSBDPSA-N 1 2 385.442 -0.339 20 0 GBADLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000444739074 1073547884 /nfs/dbraw/zinc/54/78/84/1073547884.db2.gz UKXVRIAERBVJQW-HIFRSBDPSA-N 1 2 385.442 -0.339 20 0 GBADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000444739075 1073548196 /nfs/dbraw/zinc/54/81/96/1073548196.db2.gz UKXVRIAERBVJQW-UKRRQHHQSA-N 1 2 385.442 -0.339 20 0 GBADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000444739075 1073548187 /nfs/dbraw/zinc/54/81/87/1073548187.db2.gz UKXVRIAERBVJQW-UKRRQHHQSA-N 1 2 385.442 -0.339 20 0 GBADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000444739076 1073548464 /nfs/dbraw/zinc/54/84/64/1073548464.db2.gz UKXVRIAERBVJQW-ZFWWWQNUSA-N 1 2 385.442 -0.339 20 0 GBADLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000444739076 1073548456 /nfs/dbraw/zinc/54/84/56/1073548456.db2.gz UKXVRIAERBVJQW-ZFWWWQNUSA-N 1 2 385.442 -0.339 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1)S(C)(=O)=O ZINC000444791355 530395021 /nfs/dbraw/zinc/39/50/21/530395021.db2.gz BBZMKKJUOIWFSG-CYBMUJFWSA-N 1 2 383.536 -0.717 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1)S(C)(=O)=O ZINC000444791355 530395020 /nfs/dbraw/zinc/39/50/20/530395020.db2.gz BBZMKKJUOIWFSG-CYBMUJFWSA-N 1 2 383.536 -0.717 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1)S(C)(=O)=O ZINC000444791356 530394960 /nfs/dbraw/zinc/39/49/60/530394960.db2.gz BBZMKKJUOIWFSG-ZDUSSCGKSA-N 1 2 383.536 -0.717 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1)S(C)(=O)=O ZINC000444791356 530394959 /nfs/dbraw/zinc/39/49/59/530394959.db2.gz BBZMKKJUOIWFSG-ZDUSSCGKSA-N 1 2 383.536 -0.717 20 0 GBADLO CNc1nc(N2CCC(CO)(OC)CC2)[nH+]c(N2CCC(CO)(OC)CC2)n1 ZINC000444882460 1073552752 /nfs/dbraw/zinc/55/27/52/1073552752.db2.gz YCGVYALZMUEWSW-UHFFFAOYSA-N 1 2 396.492 -0.709 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)N(C)C)c2)CC1 ZINC000445025548 1073558206 /nfs/dbraw/zinc/55/82/06/1073558206.db2.gz QTPYCPCYFRWIOQ-UHFFFAOYSA-N 1 2 389.456 -0.506 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCC(=O)N(C)C)CC1 ZINC000445026184 1073557526 /nfs/dbraw/zinc/55/75/26/1073557526.db2.gz XOVYQBNXYJUYDR-UHFFFAOYSA-N 1 2 389.456 -0.506 20 0 GBADLO CCNC(=O)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445029998 1073557727 /nfs/dbraw/zinc/55/77/27/1073557727.db2.gz DQRMGSFOOWQIRX-UHFFFAOYSA-N 1 2 389.456 -0.459 20 0 GBADLO CCNC(=O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445041698 1073556912 /nfs/dbraw/zinc/55/69/12/1073556912.db2.gz ZSPDYTRDYMXUOF-UHFFFAOYSA-N 1 2 389.456 -0.459 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000445048792 1073558875 /nfs/dbraw/zinc/55/88/75/1073558875.db2.gz MIJWIACHNLFZLS-UHFFFAOYSA-N 1 2 387.440 -0.752 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCNC(=O)C3)c2)CC1 ZINC000445049248 1073559299 /nfs/dbraw/zinc/55/92/99/1073559299.db2.gz OLHKKOPSBXZIOL-UHFFFAOYSA-N 1 2 387.440 -0.752 20 0 GBADLO CNC(=O)CN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445055829 1073557930 /nfs/dbraw/zinc/55/79/30/1073557930.db2.gz CYLOYMYMRZAWIG-UHFFFAOYSA-N 1 2 389.456 -0.506 20 0 GBADLO CNC(=O)CN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445057778 1073558369 /nfs/dbraw/zinc/55/83/69/1073558369.db2.gz IJUROWIIRJNOSR-UHFFFAOYSA-N 1 2 389.456 -0.506 20 0 GBADLO COC(=O)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445082582 1073558787 /nfs/dbraw/zinc/55/87/87/1073558787.db2.gz QPCIEYCQAWYBCS-UHFFFAOYSA-N 1 2 390.440 -0.032 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(OC)c1 ZINC000445104058 1073560060 /nfs/dbraw/zinc/56/00/60/1073560060.db2.gz GOITZYKEYIOGRY-GFCCVEGCSA-N 1 2 379.413 -0.055 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(OC)c1 ZINC000445104058 1073560048 /nfs/dbraw/zinc/56/00/48/1073560048.db2.gz GOITZYKEYIOGRY-GFCCVEGCSA-N 1 2 379.413 -0.055 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(OC)c1 ZINC000445104062 1073559857 /nfs/dbraw/zinc/55/98/57/1073559857.db2.gz GOITZYKEYIOGRY-LBPRGKRZSA-N 1 2 379.413 -0.055 20 0 GBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(OC)c1 ZINC000445104062 1073559850 /nfs/dbraw/zinc/55/98/50/1073559850.db2.gz GOITZYKEYIOGRY-LBPRGKRZSA-N 1 2 379.413 -0.055 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC(=O)N(C)C2)CC1 ZINC000445105894 1073560817 /nfs/dbraw/zinc/56/08/17/1073560817.db2.gz FBRMZXOHKNAUAL-UHFFFAOYSA-N 1 2 387.440 -0.453 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC(=O)N(C)C3)c2)CC1 ZINC000445112158 1073561866 /nfs/dbraw/zinc/56/18/66/1073561866.db2.gz LZVWEUZHYLNVAT-UHFFFAOYSA-N 1 2 387.440 -0.453 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(CCO)CCO)c2)CC1 ZINC000445133831 1073562892 /nfs/dbraw/zinc/56/28/92/1073562892.db2.gz KZBMYBCHESYRLH-UHFFFAOYSA-N 1 2 392.456 -0.898 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(CCO)CCO)CC1 ZINC000445140646 1073561964 /nfs/dbraw/zinc/56/19/64/1073561964.db2.gz SUHLWRYQFTYSEM-UHFFFAOYSA-N 1 2 392.456 -0.898 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000445155592 1073563335 /nfs/dbraw/zinc/56/33/35/1073563335.db2.gz CZCLAFXEWYUGAI-LLVKDONJSA-N 1 2 390.362 -0.126 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000445155771 1073562975 /nfs/dbraw/zinc/56/29/75/1073562975.db2.gz AFWFCQXFBJZSBJ-GFCCVEGCSA-N 1 2 376.392 -0.130 20 0 GBADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445156142 1073562735 /nfs/dbraw/zinc/56/27/35/1073562735.db2.gz FCCUMHBNMXMOOT-CYBMUJFWSA-N 1 2 383.470 -0.056 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000445157778 1073562667 /nfs/dbraw/zinc/56/26/67/1073562667.db2.gz JXLYPBNMDJQYAA-MRXNPFEDSA-N 1 2 390.484 -0.018 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000445159161 1073562632 /nfs/dbraw/zinc/56/26/32/1073562632.db2.gz FRFQRVFWTSGUCK-LLVKDONJSA-N 1 2 387.433 -0.307 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1S(C)(=O)=O ZINC000445159167 1073563201 /nfs/dbraw/zinc/56/32/01/1073563201.db2.gz FSHVYMVOCZOOQW-CYBMUJFWSA-N 1 2 383.470 -0.138 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000445159381 1073562953 /nfs/dbraw/zinc/56/29/53/1073562953.db2.gz QLFXCLZOUXQKIT-CYBMUJFWSA-N 1 2 398.485 -0.600 20 0 GBADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000445160937 1073564312 /nfs/dbraw/zinc/56/43/12/1073564312.db2.gz PWGPGINVJQXFEZ-CYBMUJFWSA-N 1 2 387.444 -0.177 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1S(C)(=O)=O ZINC000445160993 1073564452 /nfs/dbraw/zinc/56/44/52/1073564452.db2.gz QEJPQNCAQCWTCK-CYBMUJFWSA-N 1 2 383.470 -0.138 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000445161295 1073564392 /nfs/dbraw/zinc/56/43/92/1073564392.db2.gz CZOOBOXMGPHZNH-CQSZACIVSA-N 1 2 377.445 -0.618 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1 ZINC000445161454 1073564005 /nfs/dbraw/zinc/56/40/05/1073564005.db2.gz DWXSWZIYXMIUGG-OAHLLOKOSA-N 1 2 399.451 -0.245 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000445162279 1073564573 /nfs/dbraw/zinc/56/45/73/1073564573.db2.gz GDWUUGFZADFRTM-GFCCVEGCSA-N 1 2 384.458 -0.942 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)CC1 ZINC000445162431 1073563773 /nfs/dbraw/zinc/56/37/73/1073563773.db2.gz LJBNOIXQCFYDJJ-CYBMUJFWSA-N 1 2 383.470 -0.305 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000445163620 1073564138 /nfs/dbraw/zinc/56/41/38/1073564138.db2.gz VQYBONKBNYTJEU-CQSZACIVSA-N 1 2 377.445 -0.618 20 0 GBADLO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445165044 1073564347 /nfs/dbraw/zinc/56/43/47/1073564347.db2.gz MKTVALQKXYPFAX-CYBMUJFWSA-N 1 2 379.413 -0.298 20 0 GBADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445165185 1073563848 /nfs/dbraw/zinc/56/38/48/1073563848.db2.gz YVQVTVNLBWCJLT-CQSZACIVSA-N 1 2 392.456 -0.335 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 ZINC000445166727 1073563837 /nfs/dbraw/zinc/56/38/37/1073563837.db2.gz RJTUOADRZDOOBG-CYBMUJFWSA-N 1 2 375.429 -0.320 20 0 GBADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000445167796 1073563960 /nfs/dbraw/zinc/56/39/60/1073563960.db2.gz SRNVVKWBGZOEFC-CQSZACIVSA-N 1 2 392.456 -0.335 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000445168060 1073563814 /nfs/dbraw/zinc/56/38/14/1073563814.db2.gz WTOMUTDOYALGLA-CYBMUJFWSA-N 1 2 383.470 -0.305 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1OCC(N)=O ZINC000445168631 1073563884 /nfs/dbraw/zinc/56/38/84/1073563884.db2.gz ZYASLNJJCVPHPK-GFCCVEGCSA-N 1 2 394.428 -0.977 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000445168656 1073563754 /nfs/dbraw/zinc/56/37/54/1073563754.db2.gz WZPRQDQIGZARTP-CYBMUJFWSA-N 1 2 383.470 -0.305 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@H](OCCO)C1 ZINC000445179288 1073564190 /nfs/dbraw/zinc/56/41/90/1073564190.db2.gz AETFRDRTWYUKPO-INIZCTEOSA-N 1 2 395.460 -0.846 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000445179293 1073564097 /nfs/dbraw/zinc/56/40/97/1073564097.db2.gz AETFRDRTWYUKPO-MRXNPFEDSA-N 1 2 395.460 -0.846 20 0 GBADLO COCCO[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000445193098 1073566147 /nfs/dbraw/zinc/56/61/47/1073566147.db2.gz SJWLFCZUJGPEQM-INIZCTEOSA-N 1 2 395.460 -0.582 20 0 GBADLO COCCO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000445193103 1073566125 /nfs/dbraw/zinc/56/61/25/1073566125.db2.gz SJWLFCZUJGPEQM-MRXNPFEDSA-N 1 2 395.460 -0.582 20 0 GBADLO CCOC1CC(O)(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000445258897 1073569019 /nfs/dbraw/zinc/56/90/19/1073569019.db2.gz BZJZUNKVSHVQMC-UHFFFAOYSA-N 1 2 378.477 -0.172 20 0 GBADLO COC1(CO)CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000445258898 1073569059 /nfs/dbraw/zinc/56/90/59/1073569059.db2.gz CADNONUNSAHFRK-UHFFFAOYSA-N 1 2 378.477 -0.219 20 0 GBADLO NC(=O)CC[C@@H](C(=O)N1CC[NH+](CCO)CC1)N1C(=O)c2ccccc2C1=O ZINC000445530460 1073575386 /nfs/dbraw/zinc/57/53/86/1073575386.db2.gz ZUIVNKPFHNQOPO-HNNXBMFYSA-N 1 2 388.424 -0.947 20 0 GBADLO NC(=O)CC[C@H](C(=O)N1CC[NH+](CCO)CC1)N1C(=O)c2ccccc2C1=O ZINC000445530463 1073575319 /nfs/dbraw/zinc/57/53/19/1073575319.db2.gz ZUIVNKPFHNQOPO-OAHLLOKOSA-N 1 2 388.424 -0.947 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000445648825 1073579446 /nfs/dbraw/zinc/57/94/46/1073579446.db2.gz UBWWHNXWABQNGS-CYBMUJFWSA-N 1 2 378.458 -0.169 20 0 GBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000445648828 1073579249 /nfs/dbraw/zinc/57/92/49/1073579249.db2.gz UBWWHNXWABQNGS-ZDUSSCGKSA-N 1 2 378.458 -0.169 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000445727242 530395405 /nfs/dbraw/zinc/39/54/05/530395405.db2.gz UOISUONBXZKYMK-UHFFFAOYSA-N 1 2 391.515 -0.015 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000445727242 530395403 /nfs/dbraw/zinc/39/54/03/530395403.db2.gz UOISUONBXZKYMK-UHFFFAOYSA-N 1 2 391.515 -0.015 20 0 GBADLO O=C(CNC(=O)c1cc[nH]c(=O)c1Br)NCC[NH+]1CCOCC1 ZINC000446032723 530395487 /nfs/dbraw/zinc/39/54/87/530395487.db2.gz CVLXDVMOZXZNOM-UHFFFAOYSA-N 1 2 387.234 -0.272 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)[C@@H](C)O1 ZINC000446069747 1072803883 /nfs/dbraw/zinc/80/38/83/1072803883.db2.gz FZTCCUUCLSUTLK-BRWVUGGUSA-N 1 2 382.505 -0.513 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)[C@@H](C)O1 ZINC000446069747 1072803869 /nfs/dbraw/zinc/80/38/69/1072803869.db2.gz FZTCCUUCLSUTLK-BRWVUGGUSA-N 1 2 382.505 -0.513 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)[C@H](C)O1 ZINC000446069749 1072803172 /nfs/dbraw/zinc/80/31/72/1072803172.db2.gz FZTCCUUCLSUTLK-IKGGRYGDSA-N 1 2 382.505 -0.513 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)[C@H](C)O1 ZINC000446069749 1072803156 /nfs/dbraw/zinc/80/31/56/1072803156.db2.gz FZTCCUUCLSUTLK-IKGGRYGDSA-N 1 2 382.505 -0.513 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)[C@@H](C)O1 ZINC000446069750 1072804058 /nfs/dbraw/zinc/80/40/58/1072804058.db2.gz FZTCCUUCLSUTLK-IXDOHACOSA-N 1 2 382.505 -0.513 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)[C@@H](C)O1 ZINC000446069750 1072804042 /nfs/dbraw/zinc/80/40/42/1072804042.db2.gz FZTCCUUCLSUTLK-IXDOHACOSA-N 1 2 382.505 -0.513 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)[C@H](C)O1 ZINC000446069751 1072803441 /nfs/dbraw/zinc/80/34/41/1072803441.db2.gz FZTCCUUCLSUTLK-ZACQAIPSSA-N 1 2 382.505 -0.513 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)[C@H](C)O1 ZINC000446069751 1072803424 /nfs/dbraw/zinc/80/34/24/1072803424.db2.gz FZTCCUUCLSUTLK-ZACQAIPSSA-N 1 2 382.505 -0.513 20 0 GBADLO Cn1cc(C(N)=O)cc1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000446135816 1073595170 /nfs/dbraw/zinc/59/51/70/1073595170.db2.gz CYAZLMNIXWUPTM-UHFFFAOYSA-N 1 2 384.440 -0.012 20 0 GBADLO CC1(C)CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[C@@H]1O ZINC000446180372 1073597022 /nfs/dbraw/zinc/59/70/22/1073597022.db2.gz VTHXHRQKNFQHSC-HNNXBMFYSA-N 1 2 379.461 -0.227 20 0 GBADLO CC1(C)CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[C@H]1O ZINC000446180373 1073597077 /nfs/dbraw/zinc/59/70/77/1073597077.db2.gz VTHXHRQKNFQHSC-OAHLLOKOSA-N 1 2 379.461 -0.227 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)Nc3ccn(CC(N)=O)n3)ccn2)CC1 ZINC000446285204 1073602082 /nfs/dbraw/zinc/60/20/82/1073602082.db2.gz UHNRPTGIWOXKID-UHFFFAOYSA-N 1 2 386.416 -0.205 20 0 GBADLO Cn1cc(C(N)=O)cc1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000446316365 1073604328 /nfs/dbraw/zinc/60/43/28/1073604328.db2.gz UOYICAODLWVQRB-UHFFFAOYSA-N 1 2 399.455 -0.287 20 0 GBADLO Cn1cc(C(N)=O)cc1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000446316365 1073604323 /nfs/dbraw/zinc/60/43/23/1073604323.db2.gz UOYICAODLWVQRB-UHFFFAOYSA-N 1 2 399.455 -0.287 20 0 GBADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000446519143 1073611882 /nfs/dbraw/zinc/61/18/82/1073611882.db2.gz SXVWJTIFPARPJY-HNNXBMFYSA-N 1 2 392.437 -0.181 20 0 GBADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000446519145 1073611562 /nfs/dbraw/zinc/61/15/62/1073611562.db2.gz SXVWJTIFPARPJY-OAHLLOKOSA-N 1 2 392.437 -0.181 20 0 GBADLO C[C@H](CN1CCOCC1)C(=O)NC1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000446603361 1073613847 /nfs/dbraw/zinc/61/38/47/1073613847.db2.gz HUFCSWLSKAGYQY-DLBZAZTESA-N 1 2 396.532 -0.312 20 0 GBADLO C[C@H](CN1CCOCC1)C(=O)NC1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000446603362 1073613650 /nfs/dbraw/zinc/61/36/50/1073613650.db2.gz HUFCSWLSKAGYQY-IAGOWNOFSA-N 1 2 396.532 -0.312 20 0 GBADLO C[C@@H](CN1CCOCC1)C(=O)NC1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000446603363 1073613925 /nfs/dbraw/zinc/61/39/25/1073613925.db2.gz HUFCSWLSKAGYQY-IRXDYDNUSA-N 1 2 396.532 -0.312 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(NC(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000446603364 1073614075 /nfs/dbraw/zinc/61/40/75/1073614075.db2.gz HUFCSWLSKAGYQY-SJORKVTESA-N 1 2 396.532 -0.312 20 0 GBADLO C[NH+]1CCN(C(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC1 ZINC000446705191 530395735 /nfs/dbraw/zinc/39/57/35/530395735.db2.gz GHQPQXGOGKDPFN-UHFFFAOYSA-N 1 2 387.428 -0.196 20 0 GBADLO C[NH+](C)CCNC(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000446705605 530395766 /nfs/dbraw/zinc/39/57/66/530395766.db2.gz IDZYTLHGHNNPDA-UHFFFAOYSA-N 1 2 375.417 -0.292 20 0 GBADLO COc1cccc(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000446714279 1073617508 /nfs/dbraw/zinc/61/75/08/1073617508.db2.gz GWIZHXUVQNJUOX-UHFFFAOYSA-N 1 2 388.428 -0.126 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000446725086 1073618930 /nfs/dbraw/zinc/61/89/30/1073618930.db2.gz DTBWLVDKZUSWKK-FUHWJXTLSA-N 1 2 399.451 -0.072 20 0 GBADLO COC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccco1 ZINC000446726263 1073618636 /nfs/dbraw/zinc/61/86/36/1073618636.db2.gz NYPVCZCLGFZZCX-AWEZNQCLSA-N 1 2 391.428 0.251 20 0 GBADLO COC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccco1 ZINC000446726358 1073618775 /nfs/dbraw/zinc/61/87/75/1073618775.db2.gz NYPVCZCLGFZZCX-CQSZACIVSA-N 1 2 391.428 0.251 20 0 GBADLO COC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000446726819 1073618763 /nfs/dbraw/zinc/61/87/63/1073618763.db2.gz RHPPCMWKDNIROX-HNNXBMFYSA-N 1 2 381.433 -0.972 20 0 GBADLO COC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000446726820 1073618717 /nfs/dbraw/zinc/61/87/17/1073618717.db2.gz RHPPCMWKDNIROX-OAHLLOKOSA-N 1 2 381.433 -0.972 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000446728023 1073618901 /nfs/dbraw/zinc/61/89/01/1073618901.db2.gz ZHVCFOGQPAVXKO-MSOLQXFVSA-N 1 2 399.451 -0.072 20 0 GBADLO O=C(NCC1(CCO)CCCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446729534 1073618954 /nfs/dbraw/zinc/61/89/54/1073618954.db2.gz QIZSSFJHHXWFLM-UHFFFAOYSA-N 1 2 393.488 0.213 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000446730742 1073618560 /nfs/dbraw/zinc/61/85/60/1073618560.db2.gz ZHVCFOGQPAVXKO-ZWKOTPCHSA-N 1 2 399.451 -0.072 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC2(C1)CCOCC2 ZINC000446730769 1073618575 /nfs/dbraw/zinc/61/85/75/1073618575.db2.gz ZTWKKUTUZYYBLE-UHFFFAOYSA-N 1 2 391.472 0.183 20 0 GBADLO C[C@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC[C@H]1O ZINC000446731733 1073616491 /nfs/dbraw/zinc/61/64/91/1073616491.db2.gz KUYQYTHZGSKNEK-DNVCBOLYSA-N 1 2 393.488 0.211 20 0 GBADLO C[C@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC[C@@H]1O ZINC000446731734 1073616556 /nfs/dbraw/zinc/61/65/56/1073616556.db2.gz KUYQYTHZGSKNEK-HNAYVOBHSA-N 1 2 393.488 0.211 20 0 GBADLO COCCCS(=O)(=O)NCCN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000446735131 1073617523 /nfs/dbraw/zinc/61/75/23/1073617523.db2.gz BBGXAGLSCHTKMN-INIZCTEOSA-N 1 2 390.550 -0.429 20 0 GBADLO COCCCS(=O)(=O)NCCN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000446735134 1073617730 /nfs/dbraw/zinc/61/77/30/1073617730.db2.gz BBGXAGLSCHTKMN-MRXNPFEDSA-N 1 2 390.550 -0.429 20 0 GBADLO CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446738842 1073620788 /nfs/dbraw/zinc/62/07/88/1073620788.db2.gz MZXRFXUUZJJLPE-AWEZNQCLSA-N 1 2 395.460 -0.142 20 0 GBADLO CC1(C)[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H]2CCO[C@@H]21 ZINC000446740961 1073618798 /nfs/dbraw/zinc/61/87/98/1073618798.db2.gz IRIOWJFRBLGQHM-BMFZPTHFSA-N 1 2 391.472 0.084 20 0 GBADLO CC1(C)[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H]2CCO[C@H]21 ZINC000446740962 1073618965 /nfs/dbraw/zinc/61/89/65/1073618965.db2.gz IRIOWJFRBLGQHM-FVQBIDKESA-N 1 2 391.472 0.084 20 0 GBADLO CC1(C)[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H]2CCO[C@H]21 ZINC000446740964 1073618874 /nfs/dbraw/zinc/61/88/74/1073618874.db2.gz IRIOWJFRBLGQHM-NUEKZKHPSA-N 1 2 391.472 0.084 20 0 GBADLO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)NC(C)(C)C ZINC000446744339 1073619664 /nfs/dbraw/zinc/61/96/64/1073619664.db2.gz JFUWJPAXZCZXFO-CYBMUJFWSA-N 1 2 394.476 -0.427 20 0 GBADLO C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)NC(C)(C)C ZINC000446744340 1073619935 /nfs/dbraw/zinc/61/99/35/1073619935.db2.gz JFUWJPAXZCZXFO-ZDUSSCGKSA-N 1 2 394.476 -0.427 20 0 GBADLO CC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCOCC1 ZINC000446750328 1073619809 /nfs/dbraw/zinc/61/98/09/1073619809.db2.gz GNAKISHBUHWYMY-INIZCTEOSA-N 1 2 393.488 0.475 20 0 GBADLO CC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCOCC1 ZINC000446750329 1073619963 /nfs/dbraw/zinc/61/99/63/1073619963.db2.gz GNAKISHBUHWYMY-MRXNPFEDSA-N 1 2 393.488 0.475 20 0 GBADLO CO[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)(C)C ZINC000446752229 1073620624 /nfs/dbraw/zinc/62/06/24/1073620624.db2.gz OGTTXDMUDPZULA-AWEZNQCLSA-N 1 2 381.477 0.331 20 0 GBADLO CO[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)(C)C ZINC000446752232 1073620463 /nfs/dbraw/zinc/62/04/63/1073620463.db2.gz OGTTXDMUDPZULA-CQSZACIVSA-N 1 2 381.477 0.331 20 0 GBADLO COC(=O)C1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000446754684 1073620716 /nfs/dbraw/zinc/62/07/16/1073620716.db2.gz XEPKVYWHHKNFCM-UHFFFAOYSA-N 1 2 393.444 -0.435 20 0 GBADLO COC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446765660 1073620985 /nfs/dbraw/zinc/62/09/85/1073620985.db2.gz AXUGINXMZSQLGL-OAHLLOKOSA-N 1 2 379.461 0.039 20 0 GBADLO O=C(NCC[NH+]1CCSCC1)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446769028 1073620732 /nfs/dbraw/zinc/62/07/32/1073620732.db2.gz JVUHULXEPAIUPB-UHFFFAOYSA-N 1 2 396.517 -0.681 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000446779288 1073623725 /nfs/dbraw/zinc/62/37/25/1073623725.db2.gz WJIVESHNCABONC-INIZCTEOSA-N 1 2 394.534 -0.085 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000446779289 1073623614 /nfs/dbraw/zinc/62/36/14/1073623614.db2.gz WJIVESHNCABONC-MRXNPFEDSA-N 1 2 394.534 -0.085 20 0 GBADLO O=C(NCC1(O)CCCCCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446779416 1073623476 /nfs/dbraw/zinc/62/34/76/1073623476.db2.gz XVTCFZFARCUATL-UHFFFAOYSA-N 1 2 393.488 0.355 20 0 GBADLO Cn1nccc1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000446782313 1073623704 /nfs/dbraw/zinc/62/37/04/1073623704.db2.gz BMVIYFMEPLCNHO-UHFFFAOYSA-N 1 2 385.428 -0.391 20 0 GBADLO CC(C)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446787603 1073621572 /nfs/dbraw/zinc/62/15/72/1073621572.db2.gz YFVPIBZOHXFYDO-MRXNPFEDSA-N 1 2 393.488 0.427 20 0 GBADLO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000446790033 1073621863 /nfs/dbraw/zinc/62/18/63/1073621863.db2.gz LWOJGUZKQKKURN-GFCCVEGCSA-N 1 2 376.392 0.100 20 0 GBADLO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000446790033 1073621859 /nfs/dbraw/zinc/62/18/59/1073621859.db2.gz LWOJGUZKQKKURN-GFCCVEGCSA-N 1 2 376.392 0.100 20 0 GBADLO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000446790034 1073622019 /nfs/dbraw/zinc/62/20/19/1073622019.db2.gz LWOJGUZKQKKURN-LBPRGKRZSA-N 1 2 376.392 0.100 20 0 GBADLO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000446790034 1073622013 /nfs/dbraw/zinc/62/20/13/1073622013.db2.gz LWOJGUZKQKKURN-LBPRGKRZSA-N 1 2 376.392 0.100 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000446797756 1073622873 /nfs/dbraw/zinc/62/28/73/1073622873.db2.gz ZKPZBQMJSHBVPL-GOSISDBHSA-N 1 2 377.445 -0.207 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000446797757 1073622888 /nfs/dbraw/zinc/62/28/88/1073622888.db2.gz ZKPZBQMJSHBVPL-SFHVURJKSA-N 1 2 377.445 -0.207 20 0 GBADLO CCC1(O)CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000446797865 1073622652 /nfs/dbraw/zinc/62/26/52/1073622652.db2.gz TWLWUMMAVIYWFO-UHFFFAOYSA-N 1 2 379.461 -0.083 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCOC2(CCCC2)C1 ZINC000446798153 1073622601 /nfs/dbraw/zinc/62/26/01/1073622601.db2.gz XFQJLHJXIQJLSL-UHFFFAOYSA-N 1 2 391.472 0.325 20 0 GBADLO CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446801905 1073624628 /nfs/dbraw/zinc/62/46/28/1073624628.db2.gz CIYGVSVBSBDJPI-CYBMUJFWSA-N 1 2 381.433 -0.531 20 0 GBADLO CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446801906 1073624886 /nfs/dbraw/zinc/62/48/86/1073624886.db2.gz CIYGVSVBSBDJPI-ZDUSSCGKSA-N 1 2 381.433 -0.531 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cn1 ZINC000446802465 1073624741 /nfs/dbraw/zinc/62/47/41/1073624741.db2.gz QCVFGMMRNFMLNB-UHFFFAOYSA-N 1 2 380.449 -0.863 20 0 GBADLO C[C@]1(CO)CCC[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446803060 1073624899 /nfs/dbraw/zinc/62/48/99/1073624899.db2.gz JFHVMFQRWFAONW-CRAIPNDOSA-N 1 2 379.461 -0.179 20 0 GBADLO C[C@]1(CO)CCC[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446803062 1073624709 /nfs/dbraw/zinc/62/47/09/1073624709.db2.gz JFHVMFQRWFAONW-MAUKXSAKSA-N 1 2 379.461 -0.179 20 0 GBADLO C[C@@]1(CO)CCC[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446803064 1073624693 /nfs/dbraw/zinc/62/46/93/1073624693.db2.gz JFHVMFQRWFAONW-QAPCUYQASA-N 1 2 379.461 -0.179 20 0 GBADLO C[C@@]1(CO)CCC[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446803066 1073624582 /nfs/dbraw/zinc/62/45/82/1073624582.db2.gz JFHVMFQRWFAONW-YJBOKZPZSA-N 1 2 379.461 -0.179 20 0 GBADLO CC1(C)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCS1 ZINC000446807790 1073625341 /nfs/dbraw/zinc/62/53/41/1073625341.db2.gz FBKLATSQNHNOFO-UHFFFAOYSA-N 1 2 381.502 0.508 20 0 GBADLO CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446808077 1073625616 /nfs/dbraw/zinc/62/56/16/1073625616.db2.gz ILJHLNUPMJAGHM-GXTWGEPZSA-N 1 2 385.490 -0.618 20 0 GBADLO CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446808078 1073625708 /nfs/dbraw/zinc/62/57/08/1073625708.db2.gz ILJHLNUPMJAGHM-JSGCOSHPSA-N 1 2 385.490 -0.618 20 0 GBADLO CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446808079 1073625458 /nfs/dbraw/zinc/62/54/58/1073625458.db2.gz ILJHLNUPMJAGHM-OCCSQVGLSA-N 1 2 385.490 -0.618 20 0 GBADLO CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446808080 1073625732 /nfs/dbraw/zinc/62/57/32/1073625732.db2.gz ILJHLNUPMJAGHM-TZMCWYRMSA-N 1 2 385.490 -0.618 20 0 GBADLO C[C@@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCS1 ZINC000446808536 1073625634 /nfs/dbraw/zinc/62/56/34/1073625634.db2.gz CQKOCSNHZWVNTI-KRWDZBQOSA-N 1 2 381.502 0.556 20 0 GBADLO C[C@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCS1 ZINC000446808539 1073625537 /nfs/dbraw/zinc/62/55/37/1073625537.db2.gz CQKOCSNHZWVNTI-QGZVFWFLSA-N 1 2 381.502 0.556 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000446811153 1073623830 /nfs/dbraw/zinc/62/38/30/1073623830.db2.gz WQTCYRVEFLHWIG-CYBMUJFWSA-N 1 2 390.444 -0.967 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000446811154 1073624027 /nfs/dbraw/zinc/62/40/27/1073624027.db2.gz WQTCYRVEFLHWIG-ZDUSSCGKSA-N 1 2 390.444 -0.967 20 0 GBADLO COC(=O)C(C)(C)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446813710 1073624014 /nfs/dbraw/zinc/62/40/14/1073624014.db2.gz SJPYBYCQNRLPSP-UHFFFAOYSA-N 1 2 381.433 -0.531 20 0 GBADLO CC(C)CO[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446818463 1073624846 /nfs/dbraw/zinc/62/48/46/1073624846.db2.gz NZVCKORAIBTJIN-INIZCTEOSA-N 1 2 393.488 0.427 20 0 GBADLO CSC[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446824861 1073626710 /nfs/dbraw/zinc/62/67/10/1073626710.db2.gz XCCMUUGXVFVLIA-AWEZNQCLSA-N 1 2 381.502 0.508 20 0 GBADLO COC1CCC(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446825155 1073626730 /nfs/dbraw/zinc/62/67/30/1073626730.db2.gz YHICRPFCPFGZSF-UHFFFAOYSA-N 1 2 393.488 0.475 20 0 GBADLO Cn1cc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c(=O)n(C)c1=O ZINC000446826547 1073626369 /nfs/dbraw/zinc/62/63/69/1073626369.db2.gz JLYYNWLPPAPJBU-UHFFFAOYSA-N 1 2 395.441 -0.955 20 0 GBADLO CCOC1CC(CNC(=O)N2CCO[C@@H](CNC(C)=O)C2)([NH+]2CCOCC2)C1 ZINC000446938133 1073629450 /nfs/dbraw/zinc/62/94/50/1073629450.db2.gz VFMIFEQSSAAPMA-HFCFLWKCSA-N 1 2 398.504 -0.197 20 0 GBADLO CCOC1CC(CNC(=O)N2CCO[C@H](CNC(C)=O)C2)([NH+]2CCOCC2)C1 ZINC000446938134 1073629132 /nfs/dbraw/zinc/62/91/32/1073629132.db2.gz VFMIFEQSSAAPMA-TVRKMHQQSA-N 1 2 398.504 -0.197 20 0 GBADLO Cc1ccc(NC(=O)CC[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)nc1 ZINC000446989944 1073631312 /nfs/dbraw/zinc/63/13/12/1073631312.db2.gz OXISLFNYAWYDOE-UHFFFAOYSA-N 1 2 397.501 -0.087 20 0 GBADLO COC[C@H](C)OC[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000447012707 530396054 /nfs/dbraw/zinc/39/60/54/530396054.db2.gz GOFMBDDQAPRIAW-DZGCQCFKSA-N 1 2 377.463 -0.466 20 0 GBADLO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000447012708 530396176 /nfs/dbraw/zinc/39/61/76/530396176.db2.gz GOFMBDDQAPRIAW-HIFRSBDPSA-N 1 2 377.463 -0.466 20 0 GBADLO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000447012709 530396065 /nfs/dbraw/zinc/39/60/65/530396065.db2.gz GOFMBDDQAPRIAW-UKRRQHHQSA-N 1 2 377.463 -0.466 20 0 GBADLO COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000447012710 530396246 /nfs/dbraw/zinc/39/62/46/530396246.db2.gz GOFMBDDQAPRIAW-ZFWWWQNUSA-N 1 2 377.463 -0.466 20 0 GBADLO Cn1ncnc1COc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000447033635 1073631093 /nfs/dbraw/zinc/63/10/93/1073631093.db2.gz JSPVEWOKQOYBSK-AWEZNQCLSA-N 1 2 394.501 -0.082 20 0 GBADLO Cn1ncnc1COc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000447033635 1073631091 /nfs/dbraw/zinc/63/10/91/1073631091.db2.gz JSPVEWOKQOYBSK-AWEZNQCLSA-N 1 2 394.501 -0.082 20 0 GBADLO Cn1ncnc1COc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000447033636 1073631055 /nfs/dbraw/zinc/63/10/55/1073631055.db2.gz JSPVEWOKQOYBSK-CQSZACIVSA-N 1 2 394.501 -0.082 20 0 GBADLO Cn1ncnc1COc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000447033636 1073631052 /nfs/dbraw/zinc/63/10/52/1073631052.db2.gz JSPVEWOKQOYBSK-CQSZACIVSA-N 1 2 394.501 -0.082 20 0 GBADLO C[C@@H](CCCO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000447131249 1073634049 /nfs/dbraw/zinc/63/40/49/1073634049.db2.gz FRXVRLCBMTYZGV-HNNXBMFYSA-N 1 2 399.517 -0.006 20 0 GBADLO C[C@H](CCCO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000447131250 1073634235 /nfs/dbraw/zinc/63/42/35/1073634235.db2.gz FRXVRLCBMTYZGV-OAHLLOKOSA-N 1 2 399.517 -0.006 20 0 GBADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000447141646 1073635171 /nfs/dbraw/zinc/63/51/71/1073635171.db2.gz BRNORARYPPEMTI-CYBMUJFWSA-N 1 2 386.460 -0.040 20 0 GBADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000447141646 1073635168 /nfs/dbraw/zinc/63/51/68/1073635168.db2.gz BRNORARYPPEMTI-CYBMUJFWSA-N 1 2 386.460 -0.040 20 0 GBADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000447141647 1073635141 /nfs/dbraw/zinc/63/51/41/1073635141.db2.gz BRNORARYPPEMTI-ZDUSSCGKSA-N 1 2 386.460 -0.040 20 0 GBADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000447141647 1073635138 /nfs/dbraw/zinc/63/51/38/1073635138.db2.gz BRNORARYPPEMTI-ZDUSSCGKSA-N 1 2 386.460 -0.040 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000447142136 1073635151 /nfs/dbraw/zinc/63/51/51/1073635151.db2.gz JBJOLRBXWDHNMQ-JTQLQIEISA-N 1 2 393.366 -0.471 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000447142137 1073635293 /nfs/dbraw/zinc/63/52/93/1073635293.db2.gz JBJOLRBXWDHNMQ-SNVBAGLBSA-N 1 2 393.366 -0.471 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000447189536 530176291 /nfs/dbraw/zinc/17/62/91/530176291.db2.gz BYNDXRFYIJOUDO-UHFFFAOYSA-N 1 2 386.499 0.505 20 0 GBADLO CCC(CC)[C@H](CNS(=O)(=O)CCNS(=O)(=O)CC)[NH+]1CCOCC1 ZINC000447204165 530396940 /nfs/dbraw/zinc/39/69/40/530396940.db2.gz QQPKNZVHCOUARW-HNNXBMFYSA-N 1 2 399.579 -0.018 20 0 GBADLO CCC(CC)[C@@H](CNS(=O)(=O)CCNS(=O)(=O)CC)[NH+]1CCOCC1 ZINC000447204167 530396860 /nfs/dbraw/zinc/39/68/60/530396860.db2.gz QQPKNZVHCOUARW-OAHLLOKOSA-N 1 2 399.579 -0.018 20 0 GBADLO Cn1cnc(CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC000447205776 1073636073 /nfs/dbraw/zinc/63/60/73/1073636073.db2.gz BLIVPPNUAIXORZ-UHFFFAOYSA-N 1 2 385.472 -0.140 20 0 GBADLO COC(=O)CC1(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCC1 ZINC000447292407 1073638786 /nfs/dbraw/zinc/63/87/86/1073638786.db2.gz NXLAKJVGIBAEOQ-UHFFFAOYSA-N 1 2 393.444 -0.244 20 0 GBADLO COC(=O)CC1(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC1 ZINC000447294203 1073638728 /nfs/dbraw/zinc/63/87/28/1073638728.db2.gz ZIYHTZQCRPMSAD-UHFFFAOYSA-N 1 2 393.444 -0.244 20 0 GBADLO O=C1C(=O)N(Cc2ncnn2CC(F)F)C(=O)N1CCC[NH+]1CCOCC1 ZINC000447295129 1073638767 /nfs/dbraw/zinc/63/87/67/1073638767.db2.gz MGHWZNFADGPNQA-UHFFFAOYSA-N 1 2 386.359 -0.444 20 0 GBADLO CC(C)(C(N)=O)[NH+]1CCN(Cc2nnnn2CCOCC(F)(F)F)CC1 ZINC000447303740 1073639537 /nfs/dbraw/zinc/63/95/37/1073639537.db2.gz GPFXIUJJNDCJFW-UHFFFAOYSA-N 1 2 379.387 -0.367 20 0 GBADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000447388981 1073643518 /nfs/dbraw/zinc/64/35/18/1073643518.db2.gz XUOIOCWBMSAAEZ-BRWVUGGUSA-N 1 2 385.505 -0.151 20 0 GBADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000447388981 1073643514 /nfs/dbraw/zinc/64/35/14/1073643514.db2.gz XUOIOCWBMSAAEZ-BRWVUGGUSA-N 1 2 385.505 -0.151 20 0 GBADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000447388988 1073643839 /nfs/dbraw/zinc/64/38/39/1073643839.db2.gz XUOIOCWBMSAAEZ-GVDBMIGSSA-N 1 2 385.505 -0.151 20 0 GBADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000447388988 1073643836 /nfs/dbraw/zinc/64/38/36/1073643836.db2.gz XUOIOCWBMSAAEZ-GVDBMIGSSA-N 1 2 385.505 -0.151 20 0 GBADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000447388990 1073643800 /nfs/dbraw/zinc/64/38/00/1073643800.db2.gz XUOIOCWBMSAAEZ-IXDOHACOSA-N 1 2 385.505 -0.151 20 0 GBADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000447388990 1073643794 /nfs/dbraw/zinc/64/37/94/1073643794.db2.gz XUOIOCWBMSAAEZ-IXDOHACOSA-N 1 2 385.505 -0.151 20 0 GBADLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000447388992 1073643447 /nfs/dbraw/zinc/64/34/47/1073643447.db2.gz XUOIOCWBMSAAEZ-YESZJQIVSA-N 1 2 385.505 -0.151 20 0 GBADLO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000447388992 1073643442 /nfs/dbraw/zinc/64/34/42/1073643442.db2.gz XUOIOCWBMSAAEZ-YESZJQIVSA-N 1 2 385.505 -0.151 20 0 GBADLO CCOC1CC(O)(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000447427716 1073644592 /nfs/dbraw/zinc/64/45/92/1073644592.db2.gz SWVLWIQRKHWGOB-UHFFFAOYSA-N 1 2 395.460 -0.800 20 0 GBADLO C[C@@H]1COCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000447429713 1073644739 /nfs/dbraw/zinc/64/47/39/1073644739.db2.gz BMAKGBSSWJBYLB-CYBMUJFWSA-N 1 2 375.429 -0.345 20 0 GBADLO COCCNS(=O)(=O)c1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1OC ZINC000447612612 1073650869 /nfs/dbraw/zinc/65/08/69/1073650869.db2.gz TVGOEAQNZASNGT-AWEZNQCLSA-N 1 2 387.458 -0.111 20 0 GBADLO COCCNS(=O)(=O)c1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1OC ZINC000447612612 1073650858 /nfs/dbraw/zinc/65/08/58/1073650858.db2.gz TVGOEAQNZASNGT-AWEZNQCLSA-N 1 2 387.458 -0.111 20 0 GBADLO COCCNS(=O)(=O)c1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)ccc1OC ZINC000447612613 1073651189 /nfs/dbraw/zinc/65/11/89/1073651189.db2.gz TVGOEAQNZASNGT-CQSZACIVSA-N 1 2 387.458 -0.111 20 0 GBADLO COCCNS(=O)(=O)c1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)ccc1OC ZINC000447612613 1073651184 /nfs/dbraw/zinc/65/11/84/1073651184.db2.gz TVGOEAQNZASNGT-CQSZACIVSA-N 1 2 387.458 -0.111 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000447660011 1073654009 /nfs/dbraw/zinc/65/40/09/1073654009.db2.gz QFQWQUGPMMRYST-CYBMUJFWSA-N 1 2 377.445 -0.782 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000447660012 1073654329 /nfs/dbraw/zinc/65/43/29/1073654329.db2.gz QFQWQUGPMMRYST-ZDUSSCGKSA-N 1 2 377.445 -0.782 20 0 GBADLO Cc1c(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000447661648 1073654172 /nfs/dbraw/zinc/65/41/72/1073654172.db2.gz XAXJOWPLFNITAZ-GFCCVEGCSA-N 1 2 389.456 -0.267 20 0 GBADLO Cc1c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000447661649 1073654359 /nfs/dbraw/zinc/65/43/59/1073654359.db2.gz XAXJOWPLFNITAZ-LBPRGKRZSA-N 1 2 389.456 -0.267 20 0 GBADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000447757608 1073661404 /nfs/dbraw/zinc/66/14/04/1073661404.db2.gz YZMOHNDQSQVWFF-AWEZNQCLSA-N 1 2 397.501 -0.484 20 0 GBADLO C[C@H](C(=O)N(C)C)S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000447757609 1073661391 /nfs/dbraw/zinc/66/13/91/1073661391.db2.gz YZMOHNDQSQVWFF-CQSZACIVSA-N 1 2 397.501 -0.484 20 0 GBADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447765823 530397756 /nfs/dbraw/zinc/39/77/56/530397756.db2.gz MHYQYKRIIHJKNJ-CYBMUJFWSA-N 1 2 399.535 -0.833 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447765825 530397705 /nfs/dbraw/zinc/39/77/05/530397705.db2.gz MHYQYKRIIHJKNJ-ZDUSSCGKSA-N 1 2 399.535 -0.833 20 0 GBADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000447773438 530397711 /nfs/dbraw/zinc/39/77/11/530397711.db2.gz RVRHCFQTXRNGLN-UHFFFAOYSA-N 1 2 385.552 -0.360 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000447793358 530398024 /nfs/dbraw/zinc/39/80/24/530398024.db2.gz FPQXSCPQSHINNF-KBPBESRZSA-N 1 2 397.563 -0.376 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000447793361 530398097 /nfs/dbraw/zinc/39/80/97/530398097.db2.gz FPQXSCPQSHINNF-KGLIPLIRSA-N 1 2 397.563 -0.376 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000447793363 530398160 /nfs/dbraw/zinc/39/81/60/530398160.db2.gz FPQXSCPQSHINNF-UONOGXRCSA-N 1 2 397.563 -0.376 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000447793364 530398134 /nfs/dbraw/zinc/39/81/34/530398134.db2.gz FPQXSCPQSHINNF-ZIAGYGMSSA-N 1 2 397.563 -0.376 20 0 GBADLO COCCNc1nc(N2C[C@@H](O)C(C)(C)C2)[nH+]c(N2C[C@@H](O)C(C)(C)C2)n1 ZINC000447808096 1073662991 /nfs/dbraw/zinc/66/29/91/1073662991.db2.gz SYBIYIQBPWGJOL-CHWSQXEVSA-N 1 2 380.493 -0.234 20 0 GBADLO COCCNc1nc(N2C[C@H](O)C(C)(C)C2)[nH+]c(N2C[C@H](O)C(C)(C)C2)n1 ZINC000447808097 1073663321 /nfs/dbraw/zinc/66/33/21/1073663321.db2.gz SYBIYIQBPWGJOL-STQMWFEESA-N 1 2 380.493 -0.234 20 0 GBADLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCO1 ZINC000447839992 1073811426 /nfs/dbraw/zinc/81/14/26/1073811426.db2.gz OISXPIDJWOMLHF-KRWDZBQOSA-N 1 2 396.532 -0.264 20 0 GBADLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCO1 ZINC000447839992 1073811413 /nfs/dbraw/zinc/81/14/13/1073811413.db2.gz OISXPIDJWOMLHF-KRWDZBQOSA-N 1 2 396.532 -0.264 20 0 GBADLO CC(C)(C)[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCO1 ZINC000447839993 1073810975 /nfs/dbraw/zinc/81/09/75/1073810975.db2.gz OISXPIDJWOMLHF-QGZVFWFLSA-N 1 2 396.532 -0.264 20 0 GBADLO CC(C)(C)[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCO1 ZINC000447839993 1073810968 /nfs/dbraw/zinc/81/09/68/1073810968.db2.gz OISXPIDJWOMLHF-QGZVFWFLSA-N 1 2 396.532 -0.264 20 0 GBADLO COCCO[C@H]1C[C@@H](CO)CN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000447841400 530397962 /nfs/dbraw/zinc/39/79/62/530397962.db2.gz CYOJBSHTURMTBD-CVEARBPZSA-N 1 2 380.507 -0.616 20 0 GBADLO COCCO[C@H]1C[C@H](CO)CN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000447841401 530398091 /nfs/dbraw/zinc/39/80/91/530398091.db2.gz CYOJBSHTURMTBD-HOTGVXAUSA-N 1 2 380.507 -0.616 20 0 GBADLO COCCO[C@@H]1C[C@@H](CO)CN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000447841402 530398110 /nfs/dbraw/zinc/39/81/10/530398110.db2.gz CYOJBSHTURMTBD-HZPDHXFCSA-N 1 2 380.507 -0.616 20 0 GBADLO COCCO[C@@H]1C[C@H](CO)CN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000447841403 530398174 /nfs/dbraw/zinc/39/81/74/530398174.db2.gz CYOJBSHTURMTBD-JKSUJKDBSA-N 1 2 380.507 -0.616 20 0 GBADLO COC(=O)[C@@H]1CNC(=O)CN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000447902166 1073670172 /nfs/dbraw/zinc/67/01/72/1073670172.db2.gz DNUQZAMBGJMCIG-AWEZNQCLSA-N 1 2 380.470 -0.634 20 0 GBADLO COC(=O)[C@H]1CNC(=O)CN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000447902167 1073670627 /nfs/dbraw/zinc/67/06/27/1073670627.db2.gz DNUQZAMBGJMCIG-CQSZACIVSA-N 1 2 380.470 -0.634 20 0 GBADLO COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447913444 1073668354 /nfs/dbraw/zinc/66/83/54/1073668354.db2.gz IRDOGLGYHYQRFP-INIZCTEOSA-N 1 2 390.440 -0.569 20 0 GBADLO COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447913445 1073668485 /nfs/dbraw/zinc/66/84/85/1073668485.db2.gz IRDOGLGYHYQRFP-MRXNPFEDSA-N 1 2 390.440 -0.569 20 0 GBADLO COC(=O)[C@@H]1CNC(=O)CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000447914351 1073667678 /nfs/dbraw/zinc/66/76/78/1073667678.db2.gz KVPQJBLXQFUGLH-AWEZNQCLSA-N 1 2 375.429 -0.906 20 0 GBADLO COC(=O)[C@H]1CNC(=O)CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000447914353 1073667648 /nfs/dbraw/zinc/66/76/48/1073667648.db2.gz KVPQJBLXQFUGLH-CQSZACIVSA-N 1 2 375.429 -0.906 20 0 GBADLO COC(=O)[C@@H]1CNC(=O)CN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000447918325 1073668373 /nfs/dbraw/zinc/66/83/73/1073668373.db2.gz ZLIODJPWOZRMOO-AWEZNQCLSA-N 1 2 380.470 -0.634 20 0 GBADLO COC(=O)[C@H]1CNC(=O)CN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000447918326 1073668438 /nfs/dbraw/zinc/66/84/38/1073668438.db2.gz ZLIODJPWOZRMOO-CQSZACIVSA-N 1 2 380.470 -0.634 20 0 GBADLO COC(=O)Cn1cc(CC[NH+]2CCN(CC(=O)N3CCCCC3)CC2)nn1 ZINC000448071520 1073678523 /nfs/dbraw/zinc/67/85/23/1073678523.db2.gz WYHXPVPQBBSGNO-UHFFFAOYSA-N 1 2 378.477 -0.376 20 0 GBADLO CC(C)(CNC(=O)NCCNS(=O)(=O)c1cccnc1)[NH+]1CCOCC1 ZINC000448203191 1073682398 /nfs/dbraw/zinc/68/23/98/1073682398.db2.gz HLJKEAPNFJEULH-UHFFFAOYSA-N 1 2 385.490 -0.230 20 0 GBADLO C[C@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)[C@H](C)[NH+]1CCOCC1 ZINC000448210847 1073682484 /nfs/dbraw/zinc/68/24/84/1073682484.db2.gz AGPDRVUCYGAIBJ-KBPBESRZSA-N 1 2 385.490 -0.232 20 0 GBADLO C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)[C@H](C)[NH+]1CCOCC1 ZINC000448210848 1073682438 /nfs/dbraw/zinc/68/24/38/1073682438.db2.gz AGPDRVUCYGAIBJ-KGLIPLIRSA-N 1 2 385.490 -0.232 20 0 GBADLO C[C@H]([C@H](C)NC(=O)NCCNS(=O)(=O)c1cccnc1)[NH+]1CCOCC1 ZINC000448210849 1073682351 /nfs/dbraw/zinc/68/23/51/1073682351.db2.gz AGPDRVUCYGAIBJ-UONOGXRCSA-N 1 2 385.490 -0.232 20 0 GBADLO C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)[C@@H](C)[NH+]1CCOCC1 ZINC000448210850 1073682409 /nfs/dbraw/zinc/68/24/09/1073682409.db2.gz AGPDRVUCYGAIBJ-ZIAGYGMSSA-N 1 2 385.490 -0.232 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)CCO1 ZINC000448212679 1073682193 /nfs/dbraw/zinc/68/21/93/1073682193.db2.gz LPIDGJCXNCVJNB-UHFFFAOYSA-N 1 2 385.490 -0.230 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)CCO1 ZINC000448212679 1073682189 /nfs/dbraw/zinc/68/21/89/1073682189.db2.gz LPIDGJCXNCVJNB-UHFFFAOYSA-N 1 2 385.490 -0.230 20 0 GBADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448213505 1073682378 /nfs/dbraw/zinc/68/23/78/1073682378.db2.gz PLZYRDJFZDKFIM-UHFFFAOYSA-N 1 2 385.490 -0.230 20 0 GBADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448213505 1073682374 /nfs/dbraw/zinc/68/23/74/1073682374.db2.gz PLZYRDJFZDKFIM-UHFFFAOYSA-N 1 2 385.490 -0.230 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000448281476 1073686854 /nfs/dbraw/zinc/68/68/54/1073686854.db2.gz OPGUXELNWCYBCV-INIZCTEOSA-N 1 2 390.440 -0.487 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000448281477 1073686828 /nfs/dbraw/zinc/68/68/28/1073686828.db2.gz OPGUXELNWCYBCV-MRXNPFEDSA-N 1 2 390.440 -0.487 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)CC1 ZINC000448292844 1073687009 /nfs/dbraw/zinc/68/70/09/1073687009.db2.gz DPWMWTBUVGWETK-KGLIPLIRSA-N 1 2 379.461 -0.222 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CC1 ZINC000448292845 1073687047 /nfs/dbraw/zinc/68/70/47/1073687047.db2.gz DPWMWTBUVGWETK-ZIAGYGMSSA-N 1 2 379.461 -0.222 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)CC1 ZINC000448295825 1073686189 /nfs/dbraw/zinc/68/61/89/1073686189.db2.gz DPWMWTBUVGWETK-KBPBESRZSA-N 1 2 379.461 -0.222 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CC1 ZINC000448295826 1073686215 /nfs/dbraw/zinc/68/62/15/1073686215.db2.gz DPWMWTBUVGWETK-UONOGXRCSA-N 1 2 379.461 -0.222 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)CC[N@H+]1CCO ZINC000448305653 1073687494 /nfs/dbraw/zinc/68/74/94/1073687494.db2.gz CCUILTJSICZVRK-KBPBESRZSA-N 1 2 379.461 -0.222 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)CC[N@@H+]1CCO ZINC000448305653 1073687490 /nfs/dbraw/zinc/68/74/90/1073687490.db2.gz CCUILTJSICZVRK-KBPBESRZSA-N 1 2 379.461 -0.222 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)CC[N@H+]1CCO ZINC000448305654 1073687601 /nfs/dbraw/zinc/68/76/01/1073687601.db2.gz CCUILTJSICZVRK-KGLIPLIRSA-N 1 2 379.461 -0.222 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)CC[N@@H+]1CCO ZINC000448305654 1073687590 /nfs/dbraw/zinc/68/75/90/1073687590.db2.gz CCUILTJSICZVRK-KGLIPLIRSA-N 1 2 379.461 -0.222 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CC[N@H+]1CCO ZINC000448305655 1073687551 /nfs/dbraw/zinc/68/75/51/1073687551.db2.gz CCUILTJSICZVRK-UONOGXRCSA-N 1 2 379.461 -0.222 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CC[N@@H+]1CCO ZINC000448305655 1073687539 /nfs/dbraw/zinc/68/75/39/1073687539.db2.gz CCUILTJSICZVRK-UONOGXRCSA-N 1 2 379.461 -0.222 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CC[N@H+]1CCO ZINC000448305656 1073687471 /nfs/dbraw/zinc/68/74/71/1073687471.db2.gz CCUILTJSICZVRK-ZIAGYGMSSA-N 1 2 379.461 -0.222 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CC[N@@H+]1CCO ZINC000448305656 1073687469 /nfs/dbraw/zinc/68/74/69/1073687469.db2.gz CCUILTJSICZVRK-ZIAGYGMSSA-N 1 2 379.461 -0.222 20 0 GBADLO CC(C)N1C(=O)C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1=O ZINC000448362585 1073688902 /nfs/dbraw/zinc/68/89/02/1073688902.db2.gz NVKCNNVVAFSUQL-CYBMUJFWSA-N 1 2 378.433 -0.127 20 0 GBADLO CC(C)N1C(=O)C[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1=O ZINC000448362586 1073688554 /nfs/dbraw/zinc/68/85/54/1073688554.db2.gz NVKCNNVVAFSUQL-ZDUSSCGKSA-N 1 2 378.433 -0.127 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](CO)[C@@H]1CCCO1 ZINC000448383886 1073689328 /nfs/dbraw/zinc/68/93/28/1073689328.db2.gz IXGJUFPEPKLQFW-CABCVRRESA-N 1 2 378.429 -0.179 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](CO)[C@@H]1CCCO1 ZINC000448383891 1073689542 /nfs/dbraw/zinc/68/95/42/1073689542.db2.gz IXGJUFPEPKLQFW-GJZGRUSLSA-N 1 2 378.429 -0.179 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](CO)[C@H]1CCCO1 ZINC000448383892 1073689604 /nfs/dbraw/zinc/68/96/04/1073689604.db2.gz IXGJUFPEPKLQFW-HUUCEWRRSA-N 1 2 378.429 -0.179 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](CO)[C@H]1CCCO1 ZINC000448383894 1073689642 /nfs/dbraw/zinc/68/96/42/1073689642.db2.gz IXGJUFPEPKLQFW-LSDHHAIUSA-N 1 2 378.429 -0.179 20 0 GBADLO CC(C)(C)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000448423168 1073691891 /nfs/dbraw/zinc/69/18/91/1073691891.db2.gz DOYWVYLZERHWTA-HNNXBMFYSA-N 1 2 393.488 0.427 20 0 GBADLO CC(C)(C)[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000448423169 1073691873 /nfs/dbraw/zinc/69/18/73/1073691873.db2.gz DOYWVYLZERHWTA-OAHLLOKOSA-N 1 2 393.488 0.427 20 0 GBADLO C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448424961 1073691974 /nfs/dbraw/zinc/69/19/74/1073691974.db2.gz HZXTVLRGXRLLDK-CVEARBPZSA-N 1 2 393.488 0.306 20 0 GBADLO C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448424962 1073691967 /nfs/dbraw/zinc/69/19/67/1073691967.db2.gz HZXTVLRGXRLLDK-HOTGVXAUSA-N 1 2 393.488 0.306 20 0 GBADLO C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448424963 1073691915 /nfs/dbraw/zinc/69/19/15/1073691915.db2.gz HZXTVLRGXRLLDK-HZPDHXFCSA-N 1 2 393.488 0.306 20 0 GBADLO C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448424964 1073691746 /nfs/dbraw/zinc/69/17/46/1073691746.db2.gz HZXTVLRGXRLLDK-JKSUJKDBSA-N 1 2 393.488 0.306 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3C[C@H](O)C(C)(C)C3)ccn2)CC1 ZINC000448446412 1073692569 /nfs/dbraw/zinc/69/25/69/1073692569.db2.gz VMCKXYDDVZZYAN-HNNXBMFYSA-N 1 2 389.456 -0.363 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3C[C@@H](O)C(C)(C)C3)ccn2)CC1 ZINC000448446413 1073692668 /nfs/dbraw/zinc/69/26/68/1073692668.db2.gz VMCKXYDDVZZYAN-OAHLLOKOSA-N 1 2 389.456 -0.363 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000448476037 1073694414 /nfs/dbraw/zinc/69/44/14/1073694414.db2.gz YCHKZHGUEKWVBM-CHWSQXEVSA-N 1 2 396.410 -0.126 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000448476038 1073694293 /nfs/dbraw/zinc/69/42/93/1073694293.db2.gz YCHKZHGUEKWVBM-OLZOCXBDSA-N 1 2 396.410 -0.126 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000448476039 1073694281 /nfs/dbraw/zinc/69/42/81/1073694281.db2.gz YCHKZHGUEKWVBM-QWHCGFSZSA-N 1 2 396.410 -0.126 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000448476040 1073694235 /nfs/dbraw/zinc/69/42/35/1073694235.db2.gz YCHKZHGUEKWVBM-STQMWFEESA-N 1 2 396.410 -0.126 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000448482378 1073693262 /nfs/dbraw/zinc/69/32/62/1073693262.db2.gz VRSAELNOVPUPTK-UHFFFAOYSA-N 1 2 384.440 -0.088 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000448482481 1073693652 /nfs/dbraw/zinc/69/36/52/1073693652.db2.gz WEXWWYYOXNMRAA-INIZCTEOSA-N 1 2 399.451 0.274 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1COc2ccccc2C1 ZINC000448482485 1073693378 /nfs/dbraw/zinc/69/33/78/1073693378.db2.gz WEXWWYYOXNMRAA-MRXNPFEDSA-N 1 2 399.451 0.274 20 0 GBADLO CCn1nccc1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000448483332 1073693412 /nfs/dbraw/zinc/69/34/12/1073693412.db2.gz JLHSIJNIJMAFFR-UHFFFAOYSA-N 1 2 383.416 -0.133 20 0 GBADLO COc1ncccc1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448485662 1073693694 /nfs/dbraw/zinc/69/36/94/1073693694.db2.gz LDKFNPXWFDPWIT-UHFFFAOYSA-N 1 2 388.428 -0.126 20 0 GBADLO COc1ncccc1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448485701 1073693454 /nfs/dbraw/zinc/69/34/54/1073693454.db2.gz LPWVRGRBHIYQJH-UHFFFAOYSA-N 1 2 388.428 -0.126 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)Cn1cccn1 ZINC000448494902 1073694165 /nfs/dbraw/zinc/69/41/65/1073694165.db2.gz GJLLXJFEQWFUNT-HNNXBMFYSA-N 1 2 389.460 -0.197 20 0 GBADLO C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)Cn1cccn1 ZINC000448494903 1073694212 /nfs/dbraw/zinc/69/42/12/1073694212.db2.gz GJLLXJFEQWFUNT-OAHLLOKOSA-N 1 2 389.460 -0.197 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cn1cccn1 ZINC000448498707 1073695054 /nfs/dbraw/zinc/69/50/54/1073695054.db2.gz ZWJUGDLPTCGLIJ-HNNXBMFYSA-N 1 2 389.460 -0.197 20 0 GBADLO C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cn1cccn1 ZINC000448498708 1073695129 /nfs/dbraw/zinc/69/51/29/1073695129.db2.gz ZWJUGDLPTCGLIJ-OAHLLOKOSA-N 1 2 389.460 -0.197 20 0 GBADLO CCn1nccc1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000448500073 1073696315 /nfs/dbraw/zinc/69/63/15/1073696315.db2.gz XBXNZKFHMNAUJR-UHFFFAOYSA-N 1 2 376.461 -0.002 20 0 GBADLO CCn1nccc1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000448500073 1073696311 /nfs/dbraw/zinc/69/63/11/1073696311.db2.gz XBXNZKFHMNAUJR-UHFFFAOYSA-N 1 2 376.461 -0.002 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)cn1 ZINC000448500749 1073696060 /nfs/dbraw/zinc/69/60/60/1073696060.db2.gz GQMUWWRPNBZYFH-UHFFFAOYSA-N 1 2 390.469 -0.196 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)cn1 ZINC000448500749 1073696057 /nfs/dbraw/zinc/69/60/57/1073696057.db2.gz GQMUWWRPNBZYFH-UHFFFAOYSA-N 1 2 390.469 -0.196 20 0 GBADLO CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448503681 1073696290 /nfs/dbraw/zinc/69/62/90/1073696290.db2.gz MNLPJAQMXISJGB-AWEZNQCLSA-N 1 2 394.476 -0.425 20 0 GBADLO CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448503684 1073695907 /nfs/dbraw/zinc/69/59/07/1073695907.db2.gz MNLPJAQMXISJGB-CQSZACIVSA-N 1 2 394.476 -0.425 20 0 GBADLO O=C(NCCOC1CCCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448506779 1073696074 /nfs/dbraw/zinc/69/60/74/1073696074.db2.gz BUQVXXJYPQYZJK-UHFFFAOYSA-N 1 2 379.461 0.229 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC(C)(C)O1 ZINC000448509956 1073696140 /nfs/dbraw/zinc/69/61/40/1073696140.db2.gz KIVHBXHRNXCBOW-AWEZNQCLSA-N 1 2 379.461 0.180 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC(C)(C)O1 ZINC000448509957 1073696224 /nfs/dbraw/zinc/69/62/24/1073696224.db2.gz KIVHBXHRNXCBOW-CQSZACIVSA-N 1 2 379.461 0.180 20 0 GBADLO CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448511412 1073695412 /nfs/dbraw/zinc/69/54/12/1073695412.db2.gz GRYCCNZIZYXHKN-KBPBESRZSA-N 1 2 394.476 -0.427 20 0 GBADLO CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448511413 1073695214 /nfs/dbraw/zinc/69/52/14/1073695214.db2.gz GRYCCNZIZYXHKN-KGLIPLIRSA-N 1 2 394.476 -0.427 20 0 GBADLO CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448511414 1073695158 /nfs/dbraw/zinc/69/51/58/1073695158.db2.gz GRYCCNZIZYXHKN-UONOGXRCSA-N 1 2 394.476 -0.427 20 0 GBADLO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448511415 1073695296 /nfs/dbraw/zinc/69/52/96/1073695296.db2.gz GRYCCNZIZYXHKN-ZIAGYGMSSA-N 1 2 394.476 -0.427 20 0 GBADLO CCS(=O)(=O)NCCN1C[C@@H](C)[N@H+](CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000448522615 530379022 /nfs/dbraw/zinc/37/90/22/530379022.db2.gz UUFSGKFVMWSSIW-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1C[C@@H](C)[N@@H+](CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000448522615 530379021 /nfs/dbraw/zinc/37/90/21/530379021.db2.gz UUFSGKFVMWSSIW-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1[C@H](C)C[N@H+](CCNS(=O)(=O)CC)C[C@@H]1C ZINC000448522615 530379019 /nfs/dbraw/zinc/37/90/19/530379019.db2.gz UUFSGKFVMWSSIW-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1[C@H](C)C[N@@H+](CCNS(=O)(=O)CC)C[C@@H]1C ZINC000448522615 530379018 /nfs/dbraw/zinc/37/90/18/530379018.db2.gz UUFSGKFVMWSSIW-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)N1[C@H](C)C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000448523807 1073696757 /nfs/dbraw/zinc/69/67/57/1073696757.db2.gz BJDLTELTTVBGLE-CRWXNKLISA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)N1[C@H](C)C[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000448523807 1073696750 /nfs/dbraw/zinc/69/67/50/1073696750.db2.gz BJDLTELTTVBGLE-CRWXNKLISA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1[C@H](C)C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000448523808 1073697456 /nfs/dbraw/zinc/69/74/56/1073697456.db2.gz BJDLTELTTVBGLE-RFQIPJPRSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1[C@H](C)C[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000448523808 1073697454 /nfs/dbraw/zinc/69/74/54/1073697454.db2.gz BJDLTELTTVBGLE-RFQIPJPRSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1[C@H](C)C[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000448523810 1073697019 /nfs/dbraw/zinc/69/70/19/1073697019.db2.gz BJDLTELTTVBGLE-XJFOESAGSA-N 1 2 398.508 -0.151 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1[C@H](C)C[N@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@@H]1C ZINC000448523810 1073697013 /nfs/dbraw/zinc/69/70/13/1073697013.db2.gz BJDLTELTTVBGLE-XJFOESAGSA-N 1 2 398.508 -0.151 20 0 GBADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000448529503 1073696723 /nfs/dbraw/zinc/69/67/23/1073696723.db2.gz RWROOVMGAKFVNP-UHFFFAOYSA-N 1 2 387.444 -0.223 20 0 GBADLO COc1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000448530189 1073697212 /nfs/dbraw/zinc/69/72/12/1073697212.db2.gz VATQYNJJTINPJN-UHFFFAOYSA-N 1 2 388.428 -0.126 20 0 GBADLO COc1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC000448530398 1073697240 /nfs/dbraw/zinc/69/72/40/1073697240.db2.gz VXFXXFAMELMVJB-UHFFFAOYSA-N 1 2 388.428 -0.126 20 0 GBADLO O=C(NCCc1cccs1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448531137 1073697411 /nfs/dbraw/zinc/69/74/11/1073697411.db2.gz REPQMPCPMREOPC-UHFFFAOYSA-N 1 2 377.470 0.574 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cn1 ZINC000448532354 1073696945 /nfs/dbraw/zinc/69/69/45/1073696945.db2.gz NAFZCZCQEHBMJN-HNNXBMFYSA-N 1 2 394.476 -0.569 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cn1 ZINC000448532355 1073697425 /nfs/dbraw/zinc/69/74/25/1073697425.db2.gz NAFZCZCQEHBMJN-OAHLLOKOSA-N 1 2 394.476 -0.569 20 0 GBADLO COc1cc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccn1 ZINC000448532881 1073696781 /nfs/dbraw/zinc/69/67/81/1073696781.db2.gz QAVRDFXTEWRDSO-UHFFFAOYSA-N 1 2 388.428 -0.126 20 0 GBADLO COc1cc(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccn1 ZINC000448533562 1073697800 /nfs/dbraw/zinc/69/78/00/1073697800.db2.gz WXZSYZPAPRQTOA-UHFFFAOYSA-N 1 2 388.428 -0.126 20 0 GBADLO COc1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000448534729 1073697949 /nfs/dbraw/zinc/69/79/49/1073697949.db2.gz KPMDKDZGKXCEAS-UHFFFAOYSA-N 1 2 387.440 0.479 20 0 GBADLO COc1cccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000448534961 1073698559 /nfs/dbraw/zinc/69/85/59/1073698559.db2.gz NMXDJTPFELSONN-UHFFFAOYSA-N 1 2 387.440 0.479 20 0 GBADLO CNS(=O)(=O)NCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000448587745 530383596 /nfs/dbraw/zinc/38/35/96/530383596.db2.gz ONEFDJZUVHGHNT-UHFFFAOYSA-N 1 2 390.893 -0.083 20 0 GBADLO CNS(=O)(=O)NCC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000448622080 530385808 /nfs/dbraw/zinc/38/58/08/530385808.db2.gz OEJHKRKYJATEFO-UHFFFAOYSA-N 1 2 390.893 -0.083 20 0 GBADLO CC(C)OC(C)(C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000448678023 530388688 /nfs/dbraw/zinc/38/86/88/530388688.db2.gz QYWIKUCUWUHMHG-UHFFFAOYSA-N 1 2 376.523 -0.174 20 0 GBADLO CNS(=O)(=O)NCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000448765790 530126031 /nfs/dbraw/zinc/12/60/31/530126031.db2.gz SPHVRIWRGSYDLW-UHFFFAOYSA-N 1 2 376.236 -0.233 20 0 GBADLO CNS(=O)(=O)NCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000448809250 1073704450 /nfs/dbraw/zinc/70/44/50/1073704450.db2.gz IDDNKPYOOXLFKC-UHFFFAOYSA-N 1 2 386.474 -0.932 20 0 GBADLO COCCn1cc(N2C[C@@H](C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2=O)cn1 ZINC000448912244 1073707079 /nfs/dbraw/zinc/70/70/79/1073707079.db2.gz QQLBGFIZXPNHJN-CABCVRRESA-N 1 2 379.461 -0.281 20 0 GBADLO COCCn1cc(N2C[C@@H](C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2=O)cn1 ZINC000448912244 1073707074 /nfs/dbraw/zinc/70/70/74/1073707074.db2.gz QQLBGFIZXPNHJN-CABCVRRESA-N 1 2 379.461 -0.281 20 0 GBADLO COCCn1cc(N2C[C@@H](C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2=O)cn1 ZINC000448912249 1073706781 /nfs/dbraw/zinc/70/67/81/1073706781.db2.gz QQLBGFIZXPNHJN-GJZGRUSLSA-N 1 2 379.461 -0.281 20 0 GBADLO COCCn1cc(N2C[C@@H](C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2=O)cn1 ZINC000448912249 1073706774 /nfs/dbraw/zinc/70/67/74/1073706774.db2.gz QQLBGFIZXPNHJN-GJZGRUSLSA-N 1 2 379.461 -0.281 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2=O)cn1 ZINC000448912251 1073706837 /nfs/dbraw/zinc/70/68/37/1073706837.db2.gz QQLBGFIZXPNHJN-HUUCEWRRSA-N 1 2 379.461 -0.281 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2=O)cn1 ZINC000448912251 1073706827 /nfs/dbraw/zinc/70/68/27/1073706827.db2.gz QQLBGFIZXPNHJN-HUUCEWRRSA-N 1 2 379.461 -0.281 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2=O)cn1 ZINC000448912252 1073706865 /nfs/dbraw/zinc/70/68/65/1073706865.db2.gz QQLBGFIZXPNHJN-LSDHHAIUSA-N 1 2 379.461 -0.281 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2=O)cn1 ZINC000448912252 1073706853 /nfs/dbraw/zinc/70/68/53/1073706853.db2.gz QQLBGFIZXPNHJN-LSDHHAIUSA-N 1 2 379.461 -0.281 20 0 GBADLO Cn1c2sc(C(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2c(=O)n(C)c1=O ZINC000448925478 1073707097 /nfs/dbraw/zinc/70/70/97/1073707097.db2.gz OZKODAWJXYBPHD-UHFFFAOYSA-N 1 2 380.470 -0.173 20 0 GBADLO COC(=O)Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)nn1 ZINC000449305341 1073715555 /nfs/dbraw/zinc/71/55/55/1073715555.db2.gz RZVFCSXDUPRWMN-UHFFFAOYSA-N 1 2 389.384 -0.203 20 0 GBADLO C[C@H](Oc1ccccn1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000449521402 1073723635 /nfs/dbraw/zinc/72/36/35/1073723635.db2.gz UVKZMKBODJIREO-HNNXBMFYSA-N 1 2 397.501 -0.515 20 0 GBADLO C[C@@H](Oc1ccccn1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000449521404 1073723115 /nfs/dbraw/zinc/72/31/15/1073723115.db2.gz UVKZMKBODJIREO-OAHLLOKOSA-N 1 2 397.501 -0.515 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](O)C1CCC1 ZINC000449589042 1073724696 /nfs/dbraw/zinc/72/46/96/1073724696.db2.gz RQTWTVWDEOIVBZ-INIZCTEOSA-N 1 2 382.486 -0.189 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](O)C1CCC1 ZINC000449589052 1073724565 /nfs/dbraw/zinc/72/45/65/1073724565.db2.gz RQTWTVWDEOIVBZ-MRXNPFEDSA-N 1 2 382.486 -0.189 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2=O)cn1 ZINC000449873734 1073727228 /nfs/dbraw/zinc/72/72/28/1073727228.db2.gz UTBCECVPSICYOY-PBHICJAKSA-N 1 2 391.472 -0.138 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2=O)cn1 ZINC000449873734 1073727219 /nfs/dbraw/zinc/72/72/19/1073727219.db2.gz UTBCECVPSICYOY-PBHICJAKSA-N 1 2 391.472 -0.138 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2=O)cn1 ZINC000449873735 1073727765 /nfs/dbraw/zinc/72/77/65/1073727765.db2.gz UTBCECVPSICYOY-RHSMWYFYSA-N 1 2 391.472 -0.138 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2=O)cn1 ZINC000449873735 1073727761 /nfs/dbraw/zinc/72/77/61/1073727761.db2.gz UTBCECVPSICYOY-RHSMWYFYSA-N 1 2 391.472 -0.138 20 0 GBADLO COCCn1cc(N2C[C@@H](C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2=O)cn1 ZINC000449873736 1073727296 /nfs/dbraw/zinc/72/72/96/1073727296.db2.gz UTBCECVPSICYOY-WMLDXEAASA-N 1 2 391.472 -0.138 20 0 GBADLO COCCn1cc(N2C[C@@H](C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2=O)cn1 ZINC000449873736 1073727289 /nfs/dbraw/zinc/72/72/89/1073727289.db2.gz UTBCECVPSICYOY-WMLDXEAASA-N 1 2 391.472 -0.138 20 0 GBADLO COCCn1cc(N2C[C@@H](C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2=O)cn1 ZINC000449873737 1073727456 /nfs/dbraw/zinc/72/74/56/1073727456.db2.gz UTBCECVPSICYOY-YOEHRIQHSA-N 1 2 391.472 -0.138 20 0 GBADLO COCCn1cc(N2C[C@@H](C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2=O)cn1 ZINC000449873737 1073727450 /nfs/dbraw/zinc/72/74/50/1073727450.db2.gz UTBCECVPSICYOY-YOEHRIQHSA-N 1 2 391.472 -0.138 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(-c2cccnc2)nn1 ZINC000449882935 1073727130 /nfs/dbraw/zinc/72/71/30/1073727130.db2.gz KPPPFCYMYQXCOC-AWEZNQCLSA-N 1 2 385.428 -0.675 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(-c2cccnc2)nn1 ZINC000449882938 1073727577 /nfs/dbraw/zinc/72/75/77/1073727577.db2.gz KPPPFCYMYQXCOC-CQSZACIVSA-N 1 2 385.428 -0.675 20 0 GBADLO CCOC(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)on1 ZINC000449884305 1073727537 /nfs/dbraw/zinc/72/75/37/1073727537.db2.gz ORAAWMKVVLFMAA-GFCCVEGCSA-N 1 2 380.401 -0.486 20 0 GBADLO CCOC(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)on1 ZINC000449884306 1073727713 /nfs/dbraw/zinc/72/77/13/1073727713.db2.gz ORAAWMKVVLFMAA-LBPRGKRZSA-N 1 2 380.401 -0.486 20 0 GBADLO CNS(=O)(=O)NCC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000450201569 1073737192 /nfs/dbraw/zinc/73/71/92/1073737192.db2.gz QWCLULJNYNBULH-UHFFFAOYSA-N 1 2 386.474 -0.728 20 0 GBADLO CNc1nc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[nH+]c2ccccc21 ZINC000450228651 1073737317 /nfs/dbraw/zinc/73/73/17/1073737317.db2.gz MIMGYNFARIWJLT-UHFFFAOYSA-N 1 2 384.440 0.179 20 0 GBADLO CNc1nc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)[nH+]c2ccccc21 ZINC000450242426 1073736780 /nfs/dbraw/zinc/73/67/80/1073736780.db2.gz JEWSMFPFDYYQNL-UHFFFAOYSA-N 1 2 392.485 0.371 20 0 GBADLO COCCOC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000450247266 530398490 /nfs/dbraw/zinc/39/84/90/530398490.db2.gz XRVUIPXMDZFJQM-INIZCTEOSA-N 1 2 379.523 -0.251 20 0 GBADLO COCCOC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000450247267 530398578 /nfs/dbraw/zinc/39/85/78/530398578.db2.gz XRVUIPXMDZFJQM-MRXNPFEDSA-N 1 2 379.523 -0.251 20 0 GBADLO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CC1 ZINC000450264808 1073738436 /nfs/dbraw/zinc/73/84/36/1073738436.db2.gz VIFBRHQVSVFQOM-LLVKDONJSA-N 1 2 380.470 -0.173 20 0 GBADLO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CC1 ZINC000450264809 1073738106 /nfs/dbraw/zinc/73/81/06/1073738106.db2.gz VIFBRHQVSVFQOM-NSHDSACASA-N 1 2 380.470 -0.173 20 0 GBADLO COc1ccc(CNC(=O)CC[NH+]2CCN(S(N)(=O)=O)CC2)c(OC)c1 ZINC000450384407 1073738954 /nfs/dbraw/zinc/73/89/54/1073738954.db2.gz AWSCORVSDKJZIS-UHFFFAOYSA-N 1 2 386.474 -0.469 20 0 GBADLO CCOC(=O)[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC12COC2 ZINC000450571469 1073747791 /nfs/dbraw/zinc/74/77/91/1073747791.db2.gz QTOIFRBYZJCBQG-CYBMUJFWSA-N 1 2 375.429 -0.229 20 0 GBADLO CCOC(=O)[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC12COC2 ZINC000450571470 1073749101 /nfs/dbraw/zinc/74/91/01/1073749101.db2.gz QTOIFRBYZJCBQG-ZDUSSCGKSA-N 1 2 375.429 -0.229 20 0 GBADLO CO[C@H]1COCC[C@@H]1CNc1nc(NC[C@H]2CCOC[C@H]2OC)nc(C)[nH+]1 ZINC000450694934 1073753844 /nfs/dbraw/zinc/75/38/44/1073753844.db2.gz DLMPBTQOTWPOGH-FPCVCCKLSA-N 1 2 381.477 -0.049 20 0 GBADLO CO[C@H]1COCC[C@@H]1CNc1nc(C)[nH+]c(NC[C@H]2CCOC[C@H]2OC)n1 ZINC000450694934 1073753833 /nfs/dbraw/zinc/75/38/33/1073753833.db2.gz DLMPBTQOTWPOGH-FPCVCCKLSA-N 1 2 381.477 -0.049 20 0 GBADLO CO[C@H]1COCC[C@H]1CNc1nc(NC[C@H]2CCOC[C@H]2OC)nc(C)[nH+]1 ZINC000450694937 1073753582 /nfs/dbraw/zinc/75/35/82/1073753582.db2.gz DLMPBTQOTWPOGH-GEEKYZPCSA-N 1 2 381.477 -0.049 20 0 GBADLO CO[C@H]1COCC[C@H]1CNc1nc(C)[nH+]c(NC[C@H]2CCOC[C@H]2OC)n1 ZINC000450694937 1073753578 /nfs/dbraw/zinc/75/35/78/1073753578.db2.gz DLMPBTQOTWPOGH-GEEKYZPCSA-N 1 2 381.477 -0.049 20 0 GBADLO CO[C@@H]1COCC[C@@H]1CNc1nc(C)[nH+]c(NC[C@H]2CCOC[C@H]2OC)n1 ZINC000450694938 1073753636 /nfs/dbraw/zinc/75/36/36/1073753636.db2.gz DLMPBTQOTWPOGH-KLHDSHLOSA-N 1 2 381.477 -0.049 20 0 GBADLO CO[C@@H]1COCC[C@@H]1CNc1nc(NC[C@@H]2CCOC[C@H]2OC)nc(C)[nH+]1 ZINC000450694940 1073753564 /nfs/dbraw/zinc/75/35/64/1073753564.db2.gz DLMPBTQOTWPOGH-QKPAOTATSA-N 1 2 381.477 -0.049 20 0 GBADLO CO[C@@H]1COCC[C@@H]1CNc1nc(C)[nH+]c(NC[C@@H]2CCOC[C@H]2OC)n1 ZINC000450694940 1073753557 /nfs/dbraw/zinc/75/35/57/1073753557.db2.gz DLMPBTQOTWPOGH-QKPAOTATSA-N 1 2 381.477 -0.049 20 0 GBADLO CC(C)Nc1nc(NCCO)nc(NCc2nn(C)cc2Br)[nH+]1 ZINC000450728523 530398951 /nfs/dbraw/zinc/39/89/51/530398951.db2.gz PBDBWCVCEFIYTC-UHFFFAOYSA-N 1 2 385.270 -0.530 20 0 GBADLO CC(C)Nc1nc(NCCO)[nH+]c(NCc2nn(C)cc2Br)n1 ZINC000450728523 530398950 /nfs/dbraw/zinc/39/89/50/530398950.db2.gz PBDBWCVCEFIYTC-UHFFFAOYSA-N 1 2 385.270 -0.530 20 0 GBADLO CC(C)Nc1nc(NCc2nn(C)cc2Br)nc(NCCO)[nH+]1 ZINC000450728523 530398948 /nfs/dbraw/zinc/39/89/48/530398948.db2.gz PBDBWCVCEFIYTC-UHFFFAOYSA-N 1 2 385.270 -0.530 20 0 GBADLO COC(=O)c1n[nH]c2c1CN(c1nc(NCCO)[nH+]c(NC(C)C)n1)CC2 ZINC000450817671 1073757325 /nfs/dbraw/zinc/75/73/25/1073757325.db2.gz GDVBRAROPBTKIM-UHFFFAOYSA-N 1 2 376.421 -0.988 20 0 GBADLO CO[C@@H]1CN(c2nc(NC(C)(C)C)nc(N3C[C@@H](O)[C@H](OC)C3)[nH+]2)C[C@H]1O ZINC000450818998 1073757512 /nfs/dbraw/zinc/75/75/12/1073757512.db2.gz JSSRMCQGLWZLHE-FDYHWXHSSA-N 1 2 382.465 -0.526 20 0 GBADLO CO[C@@H]1CN(c2nc(NC(C)(C)C)[nH+]c(N3C[C@@H](O)[C@H](OC)C3)n2)C[C@H]1O ZINC000450818998 1073757506 /nfs/dbraw/zinc/75/75/06/1073757506.db2.gz JSSRMCQGLWZLHE-FDYHWXHSSA-N 1 2 382.465 -0.526 20 0 GBADLO O[C@@H]1CN(Cc2cc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)cc(C(F)(F)F)c2)C[C@@H]1O ZINC000450865498 1073758552 /nfs/dbraw/zinc/75/85/52/1073758552.db2.gz WQALHWJYRXUWNG-GEEKYZPCSA-N 1 2 376.375 -0.220 20 0 GBADLO O[C@@H]1CN(Cc2cc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)cc(C(F)(F)F)c2)C[C@@H]1O ZINC000450865498 1073758547 /nfs/dbraw/zinc/75/85/47/1073758547.db2.gz WQALHWJYRXUWNG-GEEKYZPCSA-N 1 2 376.375 -0.220 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000450906005 1073759045 /nfs/dbraw/zinc/75/90/45/1073759045.db2.gz PAIDMYFWGZIPAM-CYBMUJFWSA-N 1 2 380.449 -0.813 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000450906005 1073759040 /nfs/dbraw/zinc/75/90/40/1073759040.db2.gz PAIDMYFWGZIPAM-CYBMUJFWSA-N 1 2 380.449 -0.813 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000450906009 1073759468 /nfs/dbraw/zinc/75/94/68/1073759468.db2.gz PAIDMYFWGZIPAM-ZDUSSCGKSA-N 1 2 380.449 -0.813 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000450906009 1073759464 /nfs/dbraw/zinc/75/94/64/1073759464.db2.gz PAIDMYFWGZIPAM-ZDUSSCGKSA-N 1 2 380.449 -0.813 20 0 GBADLO O[C@@H](CNc1nc(N2CCOCC2)nc(NC[C@@H](O)C2CCC2)[nH+]1)C1CCC1 ZINC000450920338 1073759378 /nfs/dbraw/zinc/75/93/78/1073759378.db2.gz WBKKHSPAEVAAMM-IYBDPMFKSA-N 1 2 392.504 -0.302 20 0 GBADLO CNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000451012659 1073762267 /nfs/dbraw/zinc/76/22/67/1073762267.db2.gz GUSDYBAGCJUHCV-HNNXBMFYSA-N 1 2 396.517 -0.800 20 0 GBADLO CNS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000451012660 1073762325 /nfs/dbraw/zinc/76/23/25/1073762325.db2.gz GUSDYBAGCJUHCV-OAHLLOKOSA-N 1 2 396.517 -0.800 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)[C@H](C)C1 ZINC000451038818 1073762448 /nfs/dbraw/zinc/76/24/48/1073762448.db2.gz NZWNNMSNFILHIP-GHMZBOCLSA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)[C@H](C)C1 ZINC000451038818 1073762439 /nfs/dbraw/zinc/76/24/39/1073762439.db2.gz NZWNNMSNFILHIP-GHMZBOCLSA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)[C@H](C)C1 ZINC000451038819 1073762737 /nfs/dbraw/zinc/76/27/37/1073762737.db2.gz NZWNNMSNFILHIP-MNOVXSKESA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)[C@H](C)C1 ZINC000451038819 1073762733 /nfs/dbraw/zinc/76/27/33/1073762733.db2.gz NZWNNMSNFILHIP-MNOVXSKESA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)[C@@H](C)C1 ZINC000451038820 1073762183 /nfs/dbraw/zinc/76/21/83/1073762183.db2.gz NZWNNMSNFILHIP-QWRGUYRKSA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)[C@@H](C)C1 ZINC000451038820 1073762180 /nfs/dbraw/zinc/76/21/80/1073762180.db2.gz NZWNNMSNFILHIP-QWRGUYRKSA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)[C@@H](C)C1 ZINC000451038821 1073762683 /nfs/dbraw/zinc/76/26/83/1073762683.db2.gz NZWNNMSNFILHIP-WDEREUQCSA-N 1 2 380.470 -0.174 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)[C@@H](C)C1 ZINC000451038821 1073762677 /nfs/dbraw/zinc/76/26/77/1073762677.db2.gz NZWNNMSNFILHIP-WDEREUQCSA-N 1 2 380.470 -0.174 20 0 GBADLO CCNC(=O)NC(=O)CN1C[C@@H](C)[N@@H+](CC(=O)NC(=O)NCC)CC1(C)C ZINC000451083865 1073763548 /nfs/dbraw/zinc/76/35/48/1073763548.db2.gz WWMHEJHRRSAAKG-GFCCVEGCSA-N 1 2 384.481 -0.538 20 0 GBADLO CCNC(=O)NC(=O)CN1C[C@@H](C)[N@H+](CC(=O)NC(=O)NCC)CC1(C)C ZINC000451083865 1073763540 /nfs/dbraw/zinc/76/35/40/1073763540.db2.gz WWMHEJHRRSAAKG-GFCCVEGCSA-N 1 2 384.481 -0.538 20 0 GBADLO CCNC(=O)NC(=O)CN1C[C@H](C)[N@@H+](CC(=O)NC(=O)NCC)CC1(C)C ZINC000451083866 1073763233 /nfs/dbraw/zinc/76/32/33/1073763233.db2.gz WWMHEJHRRSAAKG-LBPRGKRZSA-N 1 2 384.481 -0.538 20 0 GBADLO CCNC(=O)NC(=O)CN1C[C@H](C)[N@H+](CC(=O)NC(=O)NCC)CC1(C)C ZINC000451083866 1073763226 /nfs/dbraw/zinc/76/32/26/1073763226.db2.gz WWMHEJHRRSAAKG-LBPRGKRZSA-N 1 2 384.481 -0.538 20 0 GBADLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC12COC2 ZINC000451131255 1073767916 /nfs/dbraw/zinc/76/79/16/1073767916.db2.gz HDFZFWTWLHAEEE-LLVKDONJSA-N 1 2 392.412 -0.440 20 0 GBADLO CCOC(=O)[C@H]1C[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC12COC2 ZINC000451131255 1073767911 /nfs/dbraw/zinc/76/79/11/1073767911.db2.gz HDFZFWTWLHAEEE-LLVKDONJSA-N 1 2 392.412 -0.440 20 0 GBADLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC12COC2 ZINC000451131256 1073767513 /nfs/dbraw/zinc/76/75/13/1073767513.db2.gz HDFZFWTWLHAEEE-NSHDSACASA-N 1 2 392.412 -0.440 20 0 GBADLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC12COC2 ZINC000451131256 1073767504 /nfs/dbraw/zinc/76/75/04/1073767504.db2.gz HDFZFWTWLHAEEE-NSHDSACASA-N 1 2 392.412 -0.440 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)c(=O)[nH]c1=O ZINC000451133569 1073767858 /nfs/dbraw/zinc/76/78/58/1073767858.db2.gz JUCMRHFKCJFFSI-LLVKDONJSA-N 1 2 394.428 -0.365 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)c(=O)[nH]c1=O ZINC000451133569 1073767852 /nfs/dbraw/zinc/76/78/52/1073767852.db2.gz JUCMRHFKCJFFSI-LLVKDONJSA-N 1 2 394.428 -0.365 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)c(=O)[nH]c1=O ZINC000451133570 1073767226 /nfs/dbraw/zinc/76/72/26/1073767226.db2.gz JUCMRHFKCJFFSI-NSHDSACASA-N 1 2 394.428 -0.365 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)c(=O)[nH]c1=O ZINC000451133570 1073767218 /nfs/dbraw/zinc/76/72/18/1073767218.db2.gz JUCMRHFKCJFFSI-NSHDSACASA-N 1 2 394.428 -0.365 20 0 GBADLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC12COC2 ZINC000451136375 1073767372 /nfs/dbraw/zinc/76/73/72/1073767372.db2.gz NNVNRYLIAFHGBD-JTQLQIEISA-N 1 2 380.401 -0.755 20 0 GBADLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC12COC2 ZINC000451136375 1073767366 /nfs/dbraw/zinc/76/73/66/1073767366.db2.gz NNVNRYLIAFHGBD-JTQLQIEISA-N 1 2 380.401 -0.755 20 0 GBADLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC12COC2 ZINC000451136376 1073767611 /nfs/dbraw/zinc/76/76/11/1073767611.db2.gz NNVNRYLIAFHGBD-SNVBAGLBSA-N 1 2 380.401 -0.755 20 0 GBADLO CCOC(=O)[C@H]1C[N@H+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC12COC2 ZINC000451136376 1073767602 /nfs/dbraw/zinc/76/76/02/1073767602.db2.gz NNVNRYLIAFHGBD-SNVBAGLBSA-N 1 2 380.401 -0.755 20 0 GBADLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC12COC2 ZINC000451137826 1073766668 /nfs/dbraw/zinc/76/66/68/1073766668.db2.gz PPABOLYMVRIPIG-AWEZNQCLSA-N 1 2 397.453 -0.216 20 0 GBADLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC12COC2 ZINC000451137826 1073766661 /nfs/dbraw/zinc/76/66/61/1073766661.db2.gz PPABOLYMVRIPIG-AWEZNQCLSA-N 1 2 397.453 -0.216 20 0 GBADLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC12COC2 ZINC000451137827 1073766139 /nfs/dbraw/zinc/76/61/39/1073766139.db2.gz PPABOLYMVRIPIG-CQSZACIVSA-N 1 2 397.453 -0.216 20 0 GBADLO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC12COC2 ZINC000451137827 1073766126 /nfs/dbraw/zinc/76/61/26/1073766126.db2.gz PPABOLYMVRIPIG-CQSZACIVSA-N 1 2 397.453 -0.216 20 0 GBADLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC12COC2 ZINC000451138938 1073765824 /nfs/dbraw/zinc/76/58/24/1073765824.db2.gz RMBFVKRUMVHQRZ-AWEZNQCLSA-N 1 2 397.453 -0.216 20 0 GBADLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC12COC2 ZINC000451138938 1073765817 /nfs/dbraw/zinc/76/58/17/1073765817.db2.gz RMBFVKRUMVHQRZ-AWEZNQCLSA-N 1 2 397.453 -0.216 20 0 GBADLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC12COC2 ZINC000451138939 1073766318 /nfs/dbraw/zinc/76/63/18/1073766318.db2.gz RMBFVKRUMVHQRZ-CQSZACIVSA-N 1 2 397.453 -0.216 20 0 GBADLO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC12COC2 ZINC000451138939 1073766313 /nfs/dbraw/zinc/76/63/13/1073766313.db2.gz RMBFVKRUMVHQRZ-CQSZACIVSA-N 1 2 397.453 -0.216 20 0 GBADLO COCC1(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000451222778 1073770085 /nfs/dbraw/zinc/77/00/85/1073770085.db2.gz XZLBDHJXDLSQAR-UHFFFAOYSA-N 1 2 397.501 -0.056 20 0 GBADLO COCC1(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000451222778 1073770078 /nfs/dbraw/zinc/77/00/78/1073770078.db2.gz XZLBDHJXDLSQAR-UHFFFAOYSA-N 1 2 397.501 -0.056 20 0 GBADLO CCOC(=O)CC1(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000451316346 530399761 /nfs/dbraw/zinc/39/97/61/530399761.db2.gz SZLQUBLRSVQEKC-UHFFFAOYSA-N 1 2 375.491 -0.102 20 0 GBADLO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000451337457 1073772364 /nfs/dbraw/zinc/77/23/64/1073772364.db2.gz RAMGCHXZYJAUJO-GOSISDBHSA-N 1 2 396.444 -0.119 20 0 GBADLO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000451337457 1073772358 /nfs/dbraw/zinc/77/23/58/1073772358.db2.gz RAMGCHXZYJAUJO-GOSISDBHSA-N 1 2 396.444 -0.119 20 0 GBADLO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000451337458 1073772386 /nfs/dbraw/zinc/77/23/86/1073772386.db2.gz RAMGCHXZYJAUJO-SFHVURJKSA-N 1 2 396.444 -0.119 20 0 GBADLO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000451337458 1073772382 /nfs/dbraw/zinc/77/23/82/1073772382.db2.gz RAMGCHXZYJAUJO-SFHVURJKSA-N 1 2 396.444 -0.119 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2CC[C@](COC)(C(=O)OC)C2)c(=O)[nH]c1=O ZINC000451341831 1073771928 /nfs/dbraw/zinc/77/19/28/1073771928.db2.gz ZKOAOQVYRGUQBD-KRWDZBQOSA-N 1 2 382.417 -0.365 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@](COC)(C(=O)OC)C2)c(=O)[nH]c1=O ZINC000451341831 1073771922 /nfs/dbraw/zinc/77/19/22/1073771922.db2.gz ZKOAOQVYRGUQBD-KRWDZBQOSA-N 1 2 382.417 -0.365 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2CC[C@@](COC)(C(=O)OC)C2)c(=O)[nH]c1=O ZINC000451341832 1073772059 /nfs/dbraw/zinc/77/20/59/1073772059.db2.gz ZKOAOQVYRGUQBD-QGZVFWFLSA-N 1 2 382.417 -0.365 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@@](COC)(C(=O)OC)C2)c(=O)[nH]c1=O ZINC000451341832 1073772053 /nfs/dbraw/zinc/77/20/53/1073772053.db2.gz ZKOAOQVYRGUQBD-QGZVFWFLSA-N 1 2 382.417 -0.365 20 0 GBADLO CCOC(=O)[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CC12COC2 ZINC000451621140 530401061 /nfs/dbraw/zinc/40/10/61/530401061.db2.gz UVTIIBKNCOKMSN-AWEZNQCLSA-N 1 2 376.475 -0.450 20 0 GBADLO CCOC(=O)[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CC12COC2 ZINC000451621141 530400838 /nfs/dbraw/zinc/40/08/38/530400838.db2.gz UVTIIBKNCOKMSN-CQSZACIVSA-N 1 2 376.475 -0.450 20 0 GBADLO NC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000451688733 1073779968 /nfs/dbraw/zinc/77/99/68/1073779968.db2.gz KEBOIHNOLABRBD-MRXNPFEDSA-N 1 2 391.447 -0.142 20 0 GBADLO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000451688733 1073779964 /nfs/dbraw/zinc/77/99/64/1073779964.db2.gz KEBOIHNOLABRBD-MRXNPFEDSA-N 1 2 391.447 -0.142 20 0 GBADLO NC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000451691133 1073779922 /nfs/dbraw/zinc/77/99/22/1073779922.db2.gz SRUJSVQVHVPAEX-MRXNPFEDSA-N 1 2 394.497 -0.390 20 0 GBADLO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000451691133 1073779916 /nfs/dbraw/zinc/77/99/16/1073779916.db2.gz SRUJSVQVHVPAEX-MRXNPFEDSA-N 1 2 394.497 -0.390 20 0 GBADLO NC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000451692133 1073779480 /nfs/dbraw/zinc/77/94/80/1073779480.db2.gz ZDZUZJBDGAMEEU-OAHLLOKOSA-N 1 2 380.470 -0.531 20 0 GBADLO NC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000451692133 1073779471 /nfs/dbraw/zinc/77/94/71/1073779471.db2.gz ZDZUZJBDGAMEEU-OAHLLOKOSA-N 1 2 380.470 -0.531 20 0 GBADLO COCCN(CCOC)S(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000451730167 530400858 /nfs/dbraw/zinc/40/08/58/530400858.db2.gz NIZFXJGOQLJLHZ-CYBMUJFWSA-N 1 2 378.495 -0.091 20 0 GBADLO COCCN(CCOC)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000451730168 530401164 /nfs/dbraw/zinc/40/11/64/530401164.db2.gz NIZFXJGOQLJLHZ-ZDUSSCGKSA-N 1 2 378.495 -0.091 20 0 GBADLO COC(=O)c1n[nH]c2c1CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC2 ZINC000451734195 1073780934 /nfs/dbraw/zinc/78/09/34/1073780934.db2.gz JSRQAPGFVJYXGO-UHFFFAOYSA-N 1 2 379.461 -0.219 20 0 GBADLO CCCCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](OC)C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000451748970 1073780572 /nfs/dbraw/zinc/78/05/72/1073780572.db2.gz KAFHQNCREUBRFN-CHWSQXEVSA-N 1 2 397.476 -0.234 20 0 GBADLO CCCCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000451748970 1073780565 /nfs/dbraw/zinc/78/05/65/1073780565.db2.gz KAFHQNCREUBRFN-CHWSQXEVSA-N 1 2 397.476 -0.234 20 0 GBADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C[C@H]1O ZINC000451763170 1073781721 /nfs/dbraw/zinc/78/17/21/1073781721.db2.gz SBXRHMJCOXDGGF-IAGOWNOFSA-N 1 2 397.497 -0.092 20 0 GBADLO CO[C@@H]1C[N@H+](CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C[C@H]1O ZINC000451763170 1073781712 /nfs/dbraw/zinc/78/17/12/1073781712.db2.gz SBXRHMJCOXDGGF-IAGOWNOFSA-N 1 2 397.497 -0.092 20 0 GBADLO Cn1c2ncn(CC[N@H+]3CCCC[C@H]3C(=O)NCC(F)F)c2c(=O)n(C)c1=O ZINC000451805255 1073781538 /nfs/dbraw/zinc/78/15/38/1073781538.db2.gz XITBCKFGWRYWIR-NSHDSACASA-N 1 2 398.414 -0.331 20 0 GBADLO Cn1c2ncn(CC[N@@H+]3CCCC[C@H]3C(=O)NCC(F)F)c2c(=O)n(C)c1=O ZINC000451805255 1073781533 /nfs/dbraw/zinc/78/15/33/1073781533.db2.gz XITBCKFGWRYWIR-NSHDSACASA-N 1 2 398.414 -0.331 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C[C@H](C)[N@@H+]1CCO ZINC000451888143 1073784672 /nfs/dbraw/zinc/78/46/72/1073784672.db2.gz HSBMJJUTPZOPKV-BETUJISGSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C[C@H](C)[N@H+]1CCO ZINC000451888143 1073784669 /nfs/dbraw/zinc/78/46/69/1073784669.db2.gz HSBMJJUTPZOPKV-BETUJISGSA-N 1 2 382.486 -0.047 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@H](C)[N@@H+]1CCO ZINC000451888801 530401478 /nfs/dbraw/zinc/40/14/78/530401478.db2.gz JEZOCEQNYLNRCC-TXEJJXNPSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@H](C)[N@H+]1CCO ZINC000451888801 530401477 /nfs/dbraw/zinc/40/14/77/530401477.db2.gz JEZOCEQNYLNRCC-TXEJJXNPSA-N 1 2 377.488 -0.590 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000451888836 530401295 /nfs/dbraw/zinc/40/12/95/530401295.db2.gz KFWIIAXLWHMPRP-GASCZTMLSA-N 1 2 375.491 -0.041 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000451888836 530401292 /nfs/dbraw/zinc/40/12/92/530401292.db2.gz KFWIIAXLWHMPRP-GASCZTMLSA-N 1 2 375.491 -0.041 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451889774 530401327 /nfs/dbraw/zinc/40/13/27/530401327.db2.gz NLEKZIUDQOAVKF-BETUJISGSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451889774 530401324 /nfs/dbraw/zinc/40/13/24/530401324.db2.gz NLEKZIUDQOAVKF-BETUJISGSA-N 1 2 391.515 -0.330 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451889805 1073785776 /nfs/dbraw/zinc/78/57/76/1073785776.db2.gz MOHRVDDJSSPXJD-FYBVGQRMSA-N 1 2 378.351 -0.518 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451889805 1073785769 /nfs/dbraw/zinc/78/57/69/1073785769.db2.gz MOHRVDDJSSPXJD-FYBVGQRMSA-N 1 2 378.351 -0.518 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451889806 1073785074 /nfs/dbraw/zinc/78/50/74/1073785074.db2.gz MOHRVDDJSSPXJD-SOCHQFKDSA-N 1 2 378.351 -0.518 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451889806 1073785068 /nfs/dbraw/zinc/78/50/68/1073785068.db2.gz MOHRVDDJSSPXJD-SOCHQFKDSA-N 1 2 378.351 -0.518 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451889807 1073785120 /nfs/dbraw/zinc/78/51/20/1073785120.db2.gz MOHRVDDJSSPXJD-VHSKPIJISA-N 1 2 378.351 -0.518 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451889807 1073785110 /nfs/dbraw/zinc/78/51/10/1073785110.db2.gz MOHRVDDJSSPXJD-VHSKPIJISA-N 1 2 378.351 -0.518 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451889808 1073784978 /nfs/dbraw/zinc/78/49/78/1073784978.db2.gz MOHRVDDJSSPXJD-XLDPMVHQSA-N 1 2 378.351 -0.518 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451889808 1073784971 /nfs/dbraw/zinc/78/49/71/1073784971.db2.gz MOHRVDDJSSPXJD-XLDPMVHQSA-N 1 2 378.351 -0.518 20 0 GBADLO CCCNC(=O)NC(=O)CN1CC[N@@H+](CC(=O)NC(=O)NCCC)CC(C)C1 ZINC000451891201 1073785639 /nfs/dbraw/zinc/78/56/39/1073785639.db2.gz SAMXTCZVFUSUSG-UHFFFAOYSA-N 1 2 398.508 -0.288 20 0 GBADLO CCCNC(=O)NC(=O)CN1CC[N@H+](CC(=O)NC(=O)NCCC)CC(C)C1 ZINC000451891201 1073785634 /nfs/dbraw/zinc/78/56/34/1073785634.db2.gz SAMXTCZVFUSUSG-UHFFFAOYSA-N 1 2 398.508 -0.288 20 0 GBADLO CC1CN(CC(=O)NC(=O)NC2CC2)CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000451891257 1073785287 /nfs/dbraw/zinc/78/52/87/1073785287.db2.gz SLMHEMBFEKJHSH-UHFFFAOYSA-N 1 2 394.476 -0.784 20 0 GBADLO CC1CN(CC(=O)NC(=O)NC2CC2)CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000451891257 1073785278 /nfs/dbraw/zinc/78/52/78/1073785278.db2.gz SLMHEMBFEKJHSH-UHFFFAOYSA-N 1 2 394.476 -0.784 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000451891509 530401427 /nfs/dbraw/zinc/40/14/27/530401427.db2.gz OPKRBXYQPNGBLH-BETUJISGSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000451891509 530401425 /nfs/dbraw/zinc/40/14/25/530401425.db2.gz OPKRBXYQPNGBLH-BETUJISGSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000451892937 530401358 /nfs/dbraw/zinc/40/13/58/530401358.db2.gz RQZRJDGKKKSSEP-BETUJISGSA-N 1 2 391.515 -0.330 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000451892937 530401356 /nfs/dbraw/zinc/40/13/56/530401356.db2.gz RQZRJDGKKKSSEP-BETUJISGSA-N 1 2 391.515 -0.330 20 0 GBADLO NC(=O)NC(=O)CN(CC[N@@H+](CC(=O)NC(N)=O)C1CC1)Cc1ccccc1 ZINC000451893452 1073785814 /nfs/dbraw/zinc/78/58/14/1073785814.db2.gz SULTYCZARIVAQV-UHFFFAOYSA-N 1 2 390.444 -0.657 20 0 GBADLO NC(=O)NC(=O)CN(CC[N@H+](CC(=O)NC(N)=O)C1CC1)Cc1ccccc1 ZINC000451893452 1073785801 /nfs/dbraw/zinc/78/58/01/1073785801.db2.gz SULTYCZARIVAQV-UHFFFAOYSA-N 1 2 390.444 -0.657 20 0 GBADLO COC[C@]1(CO)CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000451927363 1073786391 /nfs/dbraw/zinc/78/63/91/1073786391.db2.gz NBYSQYOOROGVKK-GOSISDBHSA-N 1 2 382.461 -0.701 20 0 GBADLO COC[C@]1(CO)CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000451927363 1073786376 /nfs/dbraw/zinc/78/63/76/1073786376.db2.gz NBYSQYOOROGVKK-GOSISDBHSA-N 1 2 382.461 -0.701 20 0 GBADLO COC[C@@]1(CO)CC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000451927364 1073786160 /nfs/dbraw/zinc/78/61/60/1073786160.db2.gz NBYSQYOOROGVKK-SFHVURJKSA-N 1 2 382.461 -0.701 20 0 GBADLO COC[C@@]1(CO)CC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000451927364 1073786157 /nfs/dbraw/zinc/78/61/57/1073786157.db2.gz NBYSQYOOROGVKK-SFHVURJKSA-N 1 2 382.461 -0.701 20 0 GBADLO CCOc1cccc(C[N@@H+](CCO)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000452049589 1073789460 /nfs/dbraw/zinc/78/94/60/1073789460.db2.gz SJZGGOVMBPFJDA-UHFFFAOYSA-N 1 2 390.440 -0.258 20 0 GBADLO CCOc1cccc(C[N@H+](CCO)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000452049589 1073789452 /nfs/dbraw/zinc/78/94/52/1073789452.db2.gz SJZGGOVMBPFJDA-UHFFFAOYSA-N 1 2 390.440 -0.258 20 0 GBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCOC[C@@H]3CC(N)=O)CC2)cc1 ZINC000452080369 1073791222 /nfs/dbraw/zinc/79/12/22/1073791222.db2.gz GZRAMCYOGCRIED-KRWDZBQOSA-N 1 2 390.484 -0.084 20 0 GBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCOC[C@H]3CC(N)=O)CC2)cc1 ZINC000452080379 1073791348 /nfs/dbraw/zinc/79/13/48/1073791348.db2.gz GZRAMCYOGCRIED-QGZVFWFLSA-N 1 2 390.484 -0.084 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000452098170 530402267 /nfs/dbraw/zinc/40/22/67/530402267.db2.gz ABSJRQWOZQKPJP-CYBMUJFWSA-N 1 2 391.515 -0.328 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000452098170 530402265 /nfs/dbraw/zinc/40/22/65/530402265.db2.gz ABSJRQWOZQKPJP-CYBMUJFWSA-N 1 2 391.515 -0.328 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000452098171 530402409 /nfs/dbraw/zinc/40/24/09/530402409.db2.gz ABSJRQWOZQKPJP-ZDUSSCGKSA-N 1 2 391.515 -0.328 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000452098171 530402408 /nfs/dbraw/zinc/40/24/08/530402408.db2.gz ABSJRQWOZQKPJP-ZDUSSCGKSA-N 1 2 391.515 -0.328 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000452098720 530402391 /nfs/dbraw/zinc/40/23/91/530402391.db2.gz BBFMGKQHFFDUGD-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000452098720 530402390 /nfs/dbraw/zinc/40/23/90/530402390.db2.gz BBFMGKQHFFDUGD-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000452098721 530402236 /nfs/dbraw/zinc/40/22/36/530402236.db2.gz BBFMGKQHFFDUGD-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000452098721 530402235 /nfs/dbraw/zinc/40/22/35/530402235.db2.gz BBFMGKQHFFDUGD-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000452100226 530402418 /nfs/dbraw/zinc/40/24/18/530402418.db2.gz DJIZLJPBJFUOCQ-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000452100226 530402417 /nfs/dbraw/zinc/40/24/17/530402417.db2.gz DJIZLJPBJFUOCQ-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000452100228 530402177 /nfs/dbraw/zinc/40/21/77/530402177.db2.gz DJIZLJPBJFUOCQ-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000452100228 530402174 /nfs/dbraw/zinc/40/21/74/530402174.db2.gz DJIZLJPBJFUOCQ-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1 ZINC000452100736 530402311 /nfs/dbraw/zinc/40/23/11/530402311.db2.gz CPGHZTYMLIXYHP-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1 ZINC000452100736 530402308 /nfs/dbraw/zinc/40/23/08/530402308.db2.gz CPGHZTYMLIXYHP-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1 ZINC000452100737 530402353 /nfs/dbraw/zinc/40/23/53/530402353.db2.gz CPGHZTYMLIXYHP-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1 ZINC000452100737 530402351 /nfs/dbraw/zinc/40/23/51/530402351.db2.gz CPGHZTYMLIXYHP-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000452104993 530402085 /nfs/dbraw/zinc/40/20/85/530402085.db2.gz LBXITIICAKJATG-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000452104993 530402082 /nfs/dbraw/zinc/40/20/82/530402082.db2.gz LBXITIICAKJATG-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000452104995 530402395 /nfs/dbraw/zinc/40/23/95/530402395.db2.gz LBXITIICAKJATG-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000452104995 530402394 /nfs/dbraw/zinc/40/23/94/530402394.db2.gz LBXITIICAKJATG-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)c1 ZINC000452105012 530402198 /nfs/dbraw/zinc/40/21/98/530402198.db2.gz NEDCFMOCERJKEL-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)c1 ZINC000452105012 530402197 /nfs/dbraw/zinc/40/21/97/530402197.db2.gz NEDCFMOCERJKEL-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c1 ZINC000452105014 530402375 /nfs/dbraw/zinc/40/23/75/530402375.db2.gz NEDCFMOCERJKEL-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)c1 ZINC000452105014 530402374 /nfs/dbraw/zinc/40/23/74/530402374.db2.gz NEDCFMOCERJKEL-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000452105614 530402299 /nfs/dbraw/zinc/40/22/99/530402299.db2.gz OMOGTYFGGNFOOL-LLVKDONJSA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000452105614 530402297 /nfs/dbraw/zinc/40/22/97/530402297.db2.gz OMOGTYFGGNFOOL-LLVKDONJSA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000452105617 530402414 /nfs/dbraw/zinc/40/24/14/530402414.db2.gz OMOGTYFGGNFOOL-NSHDSACASA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000452105617 530402413 /nfs/dbraw/zinc/40/24/13/530402413.db2.gz OMOGTYFGGNFOOL-NSHDSACASA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000452105989 530402115 /nfs/dbraw/zinc/40/21/15/530402115.db2.gz NJYKFRWNEXIFBM-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000452105989 530402114 /nfs/dbraw/zinc/40/21/14/530402114.db2.gz NJYKFRWNEXIFBM-CYBMUJFWSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000452105990 530402333 /nfs/dbraw/zinc/40/23/33/530402333.db2.gz NJYKFRWNEXIFBM-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000452105990 530402331 /nfs/dbraw/zinc/40/23/31/530402331.db2.gz NJYKFRWNEXIFBM-ZDUSSCGKSA-N 1 2 391.515 -0.376 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000452106810 530402192 /nfs/dbraw/zinc/40/21/92/530402192.db2.gz RBSGBLLVJUPUID-LLVKDONJSA-N 1 2 391.877 -0.109 20 0 GBADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000452106810 530402189 /nfs/dbraw/zinc/40/21/89/530402189.db2.gz RBSGBLLVJUPUID-LLVKDONJSA-N 1 2 391.877 -0.109 20 0 GBADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000452106812 530402067 /nfs/dbraw/zinc/40/20/67/530402067.db2.gz RBSGBLLVJUPUID-NSHDSACASA-N 1 2 391.877 -0.109 20 0 GBADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000452106812 530402065 /nfs/dbraw/zinc/40/20/65/530402065.db2.gz RBSGBLLVJUPUID-NSHDSACASA-N 1 2 391.877 -0.109 20 0 GBADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000452107065 530402017 /nfs/dbraw/zinc/40/20/17/530402017.db2.gz RKKFWZPWDQTKIJ-AWEZNQCLSA-N 1 2 391.515 -0.707 20 0 GBADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000452107065 530402015 /nfs/dbraw/zinc/40/20/15/530402015.db2.gz RKKFWZPWDQTKIJ-AWEZNQCLSA-N 1 2 391.515 -0.707 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000452107071 530402287 /nfs/dbraw/zinc/40/22/87/530402287.db2.gz RKKFWZPWDQTKIJ-CQSZACIVSA-N 1 2 391.515 -0.707 20 0 GBADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000452107071 530402284 /nfs/dbraw/zinc/40/22/84/530402284.db2.gz RKKFWZPWDQTKIJ-CQSZACIVSA-N 1 2 391.515 -0.707 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000452107198 530402096 /nfs/dbraw/zinc/40/20/96/530402096.db2.gz RTNLJXDRVSWJBG-LLVKDONJSA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000452107198 530402093 /nfs/dbraw/zinc/40/20/93/530402093.db2.gz RTNLJXDRVSWJBG-LLVKDONJSA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000452107199 530401994 /nfs/dbraw/zinc/40/19/94/530401994.db2.gz RTNLJXDRVSWJBG-NSHDSACASA-N 1 2 395.478 -0.116 20 0 GBADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000452107199 530401993 /nfs/dbraw/zinc/40/19/93/530401993.db2.gz RTNLJXDRVSWJBG-NSHDSACASA-N 1 2 395.478 -0.116 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1C ZINC000452108866 530402348 /nfs/dbraw/zinc/40/23/48/530402348.db2.gz WNUIMQHPYKGNMZ-CYBMUJFWSA-N 1 2 391.515 -0.410 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1C ZINC000452108866 530402346 /nfs/dbraw/zinc/40/23/46/530402346.db2.gz WNUIMQHPYKGNMZ-CYBMUJFWSA-N 1 2 391.515 -0.410 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1C ZINC000452108867 530402379 /nfs/dbraw/zinc/40/23/79/530402379.db2.gz WNUIMQHPYKGNMZ-ZDUSSCGKSA-N 1 2 391.515 -0.410 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1C ZINC000452108867 530402378 /nfs/dbraw/zinc/40/23/78/530402378.db2.gz WNUIMQHPYKGNMZ-ZDUSSCGKSA-N 1 2 391.515 -0.410 20 0 GBADLO CCN(C)C(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000452540150 1073804573 /nfs/dbraw/zinc/80/45/73/1073804573.db2.gz SEPVYQSPBJSRLS-RDJZCZTQSA-N 1 2 382.505 -0.214 20 0 GBADLO CCN(C)C(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000452540151 1073803940 /nfs/dbraw/zinc/80/39/40/1073803940.db2.gz SEPVYQSPBJSRLS-WBVHZDCISA-N 1 2 382.505 -0.214 20 0 GBADLO COC[C@]1(C(=O)OC)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000452568986 1073805122 /nfs/dbraw/zinc/80/51/22/1073805122.db2.gz IKCVVKFCOADUOK-BEFAXECRSA-N 1 2 397.472 -0.795 20 0 GBADLO COC[C@@]1(C(=O)OC)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000452569004 1073805021 /nfs/dbraw/zinc/80/50/21/1073805021.db2.gz IKCVVKFCOADUOK-DNVCBOLYSA-N 1 2 397.472 -0.795 20 0 GBADLO COC[C@@]1(C(=O)OC)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000452569006 1073805292 /nfs/dbraw/zinc/80/52/92/1073805292.db2.gz IKCVVKFCOADUOK-HNAYVOBHSA-N 1 2 397.472 -0.795 20 0 GBADLO COC[C@]1(C(=O)OC)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000452569008 1073805354 /nfs/dbraw/zinc/80/53/54/1073805354.db2.gz IKCVVKFCOADUOK-KXBFYZLASA-N 1 2 397.472 -0.795 20 0 GBADLO CC(C)(C)OC(=O)C1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000452640527 1073807558 /nfs/dbraw/zinc/80/75/58/1073807558.db2.gz URLKSLFXGHJEFY-AWEZNQCLSA-N 1 2 381.473 -0.033 20 0 GBADLO CC(C)(C)OC(=O)C1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000452640533 1073807609 /nfs/dbraw/zinc/80/76/09/1073807609.db2.gz URLKSLFXGHJEFY-CQSZACIVSA-N 1 2 381.473 -0.033 20 0 GBADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)CC1 ZINC000453587184 1073828171 /nfs/dbraw/zinc/82/81/71/1073828171.db2.gz RIZFQEXSGOBBTL-UHFFFAOYSA-N 1 2 398.485 -0.153 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2OC)CC1 ZINC000453690248 1073830922 /nfs/dbraw/zinc/83/09/22/1073830922.db2.gz IFYRDCHMAQNJKV-UHFFFAOYSA-N 1 2 378.429 -0.087 20 0 GBADLO Cc1c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cccc1S(=O)(=O)N(C)C ZINC000453693980 1073831569 /nfs/dbraw/zinc/83/15/69/1073831569.db2.gz JRAZOZHMZSBQSZ-UHFFFAOYSA-N 1 2 398.485 -0.680 20 0 GBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](OC)C3)cc2)CC1 ZINC000453971723 1073916434 /nfs/dbraw/zinc/91/64/34/1073916434.db2.gz SXQDSTMCXFYUGN-QZTJIDSGSA-N 1 2 390.484 -0.019 20 0 GBADLO CO[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@H]1O ZINC000453973794 1073918489 /nfs/dbraw/zinc/91/84/89/1073918489.db2.gz XTCWABQDDUOIJB-IAGOWNOFSA-N 1 2 376.457 -0.409 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc[nH]1 ZINC000454157560 1073933419 /nfs/dbraw/zinc/93/34/19/1073933419.db2.gz YTLIRHCSWSPSGU-UHFFFAOYSA-N 1 2 391.453 -0.139 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NCCC(C)(F)F)CC2)CC1 ZINC000455117818 530404052 /nfs/dbraw/zinc/40/40/52/530404052.db2.gz NBQLBKLDQFEHDS-UHFFFAOYSA-N 1 2 383.465 -0.149 20 0 GBADLO CC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(F)F ZINC000455157758 530404303 /nfs/dbraw/zinc/40/43/03/530404303.db2.gz PVVBTZZFBOTTPH-GFCCVEGCSA-N 1 2 383.465 -0.151 20 0 GBADLO CC[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(F)F ZINC000455157759 530404070 /nfs/dbraw/zinc/40/40/70/530404070.db2.gz PVVBTZZFBOTTPH-LBPRGKRZSA-N 1 2 383.465 -0.151 20 0 GBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(F)F ZINC000455260805 530404224 /nfs/dbraw/zinc/40/42/24/530404224.db2.gz JBHJTJONMSTGDA-GFCCVEGCSA-N 1 2 383.465 -0.151 20 0 GBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(F)F ZINC000455260806 530404320 /nfs/dbraw/zinc/40/43/20/530404320.db2.gz JBHJTJONMSTGDA-LBPRGKRZSA-N 1 2 383.465 -0.151 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000457122505 530404749 /nfs/dbraw/zinc/40/47/49/530404749.db2.gz MGSUYSYJIPQBNZ-LLVKDONJSA-N 1 2 377.413 -0.232 20 0 GBADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000457122505 530404748 /nfs/dbraw/zinc/40/47/48/530404748.db2.gz MGSUYSYJIPQBNZ-LLVKDONJSA-N 1 2 377.413 -0.232 20 0 GBADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000457122516 530404729 /nfs/dbraw/zinc/40/47/29/530404729.db2.gz MGSUYSYJIPQBNZ-NSHDSACASA-N 1 2 377.413 -0.232 20 0 GBADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000457122516 530404728 /nfs/dbraw/zinc/40/47/28/530404728.db2.gz MGSUYSYJIPQBNZ-NSHDSACASA-N 1 2 377.413 -0.232 20 0 GBADLO CCC(C)(C)OCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000457448273 530404944 /nfs/dbraw/zinc/40/49/44/530404944.db2.gz ZEFDWPIVPDBUKB-UHFFFAOYSA-N 1 2 376.523 -0.172 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1(CCO)CC1 ZINC000457724942 1073547170 /nfs/dbraw/zinc/54/71/70/1073547170.db2.gz GULZRCCPPBMBOJ-UHFFFAOYSA-N 1 2 397.501 -0.252 20 0 GBADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000457933153 530405436 /nfs/dbraw/zinc/40/54/36/530405436.db2.gz JTVUBDZULZMREN-DZGCQCFKSA-N 1 2 394.563 -0.179 20 0 GBADLO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000457933154 530405654 /nfs/dbraw/zinc/40/56/54/530405654.db2.gz JTVUBDZULZMREN-HIFRSBDPSA-N 1 2 394.563 -0.179 20 0 GBADLO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000457933155 530405456 /nfs/dbraw/zinc/40/54/56/530405456.db2.gz JTVUBDZULZMREN-UKRRQHHQSA-N 1 2 394.563 -0.179 20 0 GBADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000457933156 530405644 /nfs/dbraw/zinc/40/56/44/530405644.db2.gz JTVUBDZULZMREN-ZFWWWQNUSA-N 1 2 394.563 -0.179 20 0 GBADLO O=C(CNC(=O)c1ncccc1O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000457988683 1072221714 /nfs/dbraw/zinc/22/17/14/1072221714.db2.gz XBTUPIUGXZBKLW-UHFFFAOYSA-N 1 2 378.429 -0.485 20 0 GBADLO CC(C)(C)c1nnc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000458028104 1072169958 /nfs/dbraw/zinc/16/99/58/1072169958.db2.gz RXIWSSNIOWIVSK-CYBMUJFWSA-N 1 2 378.477 -0.101 20 0 GBADLO CC(C)(C)c1nnc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000458028106 1072170064 /nfs/dbraw/zinc/17/00/64/1072170064.db2.gz RXIWSSNIOWIVSK-ZDUSSCGKSA-N 1 2 378.477 -0.101 20 0 GBADLO C[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000458053308 1072251761 /nfs/dbraw/zinc/25/17/61/1072251761.db2.gz RWXQHUNWDCTZKX-AWEZNQCLSA-N 1 2 391.447 -0.508 20 0 GBADLO C[C@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000458053312 1072251955 /nfs/dbraw/zinc/25/19/55/1072251955.db2.gz RWXQHUNWDCTZKX-CQSZACIVSA-N 1 2 391.447 -0.508 20 0 GBADLO Cc1nc(NCc2cccc(C(=O)N3CCN(CC(N)=O)C(=O)C3)c2)cc[nH+]1 ZINC000458084215 1072255996 /nfs/dbraw/zinc/25/59/96/1072255996.db2.gz YKIUWOPKHJJZOT-UHFFFAOYSA-N 1 2 382.424 0.167 20 0 GBADLO CC[C@H](NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC ZINC000458106109 1072256734 /nfs/dbraw/zinc/25/67/34/1072256734.db2.gz MUSJQARIPBGUPV-AWEZNQCLSA-N 1 2 376.461 -0.056 20 0 GBADLO CC[C@@H](NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC ZINC000458106123 1072256373 /nfs/dbraw/zinc/25/63/73/1072256373.db2.gz MUSJQARIPBGUPV-CQSZACIVSA-N 1 2 376.461 -0.056 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CC[C@@H](CO)O1 ZINC000458109501 1072256815 /nfs/dbraw/zinc/25/68/15/1072256815.db2.gz QIVCIVSFUUGZRS-CVEARBPZSA-N 1 2 391.472 -0.041 20 0 GBADLO O=C(NC[C@H](O)Cn1ccnn1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458373979 1072429897 /nfs/dbraw/zinc/42/98/97/1072429897.db2.gz SHMOMPIKAQYTDC-MSOLQXFVSA-N 1 2 388.472 -0.118 20 0 GBADLO O=C(NC[C@@H](O)Cn1ccnn1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458374037 1072429916 /nfs/dbraw/zinc/42/99/16/1072429916.db2.gz SHMOMPIKAQYTDC-QZTJIDSGSA-N 1 2 388.472 -0.118 20 0 GBADLO O=C(NC[C@H](O)Cn1ccnn1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458374041 1072429826 /nfs/dbraw/zinc/42/98/26/1072429826.db2.gz SHMOMPIKAQYTDC-ROUUACIJSA-N 1 2 388.472 -0.118 20 0 GBADLO O=C(NC[C@@H](O)Cn1ccnn1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458374046 1072429855 /nfs/dbraw/zinc/42/98/55/1072429855.db2.gz SHMOMPIKAQYTDC-ZWKOTPCHSA-N 1 2 388.472 -0.118 20 0 GBADLO O=C(NCCNS(=O)(=O)c1cccnc1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458561934 1072467650 /nfs/dbraw/zinc/46/76/50/1072467650.db2.gz CDBCZYNQLXVWJI-OKILXGFUSA-N 1 2 383.474 -0.478 20 0 GBADLO O=C(NCCNS(=O)(=O)c1cccnc1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458561934 1072467646 /nfs/dbraw/zinc/46/76/46/1072467646.db2.gz CDBCZYNQLXVWJI-OKILXGFUSA-N 1 2 383.474 -0.478 20 0 GBADLO CCO[C@@H]1C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@H]1n1cccn1 ZINC000458900105 1073138649 /nfs/dbraw/zinc/13/86/49/1073138649.db2.gz QQESTJCMZZHGEB-MWDXBVQZSA-N 1 2 381.477 -0.064 20 0 GBADLO CCO[C@@H]1C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@@H]1n1cccn1 ZINC000458900108 1073138754 /nfs/dbraw/zinc/13/87/54/1073138754.db2.gz QQESTJCMZZHGEB-NXOAAHMSSA-N 1 2 381.477 -0.064 20 0 GBADLO CCO[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@@H]1n1cccn1 ZINC000458900109 1073138481 /nfs/dbraw/zinc/13/84/81/1073138481.db2.gz QQESTJCMZZHGEB-TWMKSMIVSA-N 1 2 381.477 -0.064 20 0 GBADLO CCO[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@H]1n1cccn1 ZINC000458900110 1073138718 /nfs/dbraw/zinc/13/87/18/1073138718.db2.gz QQESTJCMZZHGEB-YYIAUSFCSA-N 1 2 381.477 -0.064 20 0 GBADLO CCO[C@@H]1COC[C@H]1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000459116388 1073185785 /nfs/dbraw/zinc/18/57/85/1073185785.db2.gz JAKQJONRVPOXGV-ZIAGYGMSSA-N 1 2 375.433 -0.001 20 0 GBADLO CO[C@@H]1COC[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000459305243 1073944974 /nfs/dbraw/zinc/94/49/74/1073944974.db2.gz FSMXEMUNWBAYHA-LSDHHAIUSA-N 1 2 392.460 -0.441 20 0 GBADLO CO[C@@H]1COC[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000459305243 1073944962 /nfs/dbraw/zinc/94/49/62/1073944962.db2.gz FSMXEMUNWBAYHA-LSDHHAIUSA-N 1 2 392.460 -0.441 20 0 GBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000459860162 530406979 /nfs/dbraw/zinc/40/69/79/530406979.db2.gz IHNZQNNSFXJDKL-CYBMUJFWSA-N 1 2 386.499 -0.718 20 0 GBADLO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000459860163 530406932 /nfs/dbraw/zinc/40/69/32/530406932.db2.gz IHNZQNNSFXJDKL-ZDUSSCGKSA-N 1 2 386.499 -0.718 20 0 GBADLO CN(C)C(=O)NCCN(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000460244164 1072976051 /nfs/dbraw/zinc/97/60/51/1072976051.db2.gz BSZKGYCNFIMGRQ-UHFFFAOYSA-N 1 2 378.481 -0.489 20 0 GBADLO COC(=O)CCN1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000460651199 1073209468 /nfs/dbraw/zinc/20/94/68/1073209468.db2.gz UYSQDRHSMKEPRT-GJZGRUSLSA-N 1 2 382.461 -0.343 20 0 GBADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000460651204 1073209519 /nfs/dbraw/zinc/20/95/19/1073209519.db2.gz UYSQDRHSMKEPRT-LSDHHAIUSA-N 1 2 382.461 -0.343 20 0 GBADLO COc1cc(N2CCN(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC2)ncn1 ZINC000460906708 1073863281 /nfs/dbraw/zinc/86/32/81/1073863281.db2.gz VBLDQCIKKLPIAH-OAHLLOKOSA-N 1 2 377.493 -0.047 20 0 GBADLO COc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)ncn1 ZINC000461348800 1073153451 /nfs/dbraw/zinc/15/34/51/1073153451.db2.gz BRYDLDFROSHNFO-KGLIPLIRSA-N 1 2 376.461 -0.280 20 0 GBADLO COC[C@@H](C)[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000461895560 530408610 /nfs/dbraw/zinc/40/86/10/530408610.db2.gz UHTLSOPOICZTIE-CABCVRRESA-N 1 2 376.523 -0.459 20 0 GBADLO COC[C@H](C)[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000461895566 530408608 /nfs/dbraw/zinc/40/86/08/530408608.db2.gz UHTLSOPOICZTIE-GJZGRUSLSA-N 1 2 376.523 -0.459 20 0 GBADLO COC[C@@H](C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000461895568 530408254 /nfs/dbraw/zinc/40/82/54/530408254.db2.gz UHTLSOPOICZTIE-HUUCEWRRSA-N 1 2 376.523 -0.459 20 0 GBADLO COC[C@H](C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000461895570 530408536 /nfs/dbraw/zinc/40/85/36/530408536.db2.gz UHTLSOPOICZTIE-LSDHHAIUSA-N 1 2 376.523 -0.459 20 0 GBADLO C[C@H](CO)[N@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000461941882 530408603 /nfs/dbraw/zinc/40/86/03/530408603.db2.gz RDCJMSVQXCAEDE-GFCCVEGCSA-N 1 2 391.515 -0.370 20 0 GBADLO C[C@H](CO)[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000461941882 530408602 /nfs/dbraw/zinc/40/86/02/530408602.db2.gz RDCJMSVQXCAEDE-GFCCVEGCSA-N 1 2 391.515 -0.370 20 0 GBADLO C[C@@H](CO)[N@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000461941883 530408600 /nfs/dbraw/zinc/40/86/00/530408600.db2.gz RDCJMSVQXCAEDE-LBPRGKRZSA-N 1 2 391.515 -0.370 20 0 GBADLO C[C@@H](CO)[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000461941883 530408599 /nfs/dbraw/zinc/40/85/99/530408599.db2.gz RDCJMSVQXCAEDE-LBPRGKRZSA-N 1 2 391.515 -0.370 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC2(C(=O)OC)CCC2)CC1 ZINC000462094249 530139937 /nfs/dbraw/zinc/13/99/37/530139937.db2.gz WZZJNBYYUZQMNH-UHFFFAOYSA-N 1 2 375.491 -0.197 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC2(C(=O)OC)CCC2)CC1 ZINC000462094249 530139934 /nfs/dbraw/zinc/13/99/34/530139934.db2.gz WZZJNBYYUZQMNH-UHFFFAOYSA-N 1 2 375.491 -0.197 20 0 GBADLO COC(=O)C1(CS(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCC1 ZINC000462096152 530408320 /nfs/dbraw/zinc/40/83/20/530408320.db2.gz CFSJYGZCGUODFQ-UHFFFAOYSA-N 1 2 375.491 -0.245 20 0 GBADLO COC(=O)C1(CS(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCC1 ZINC000462102443 530408499 /nfs/dbraw/zinc/40/84/99/530408499.db2.gz CETRBHXDGYPOLW-UHFFFAOYSA-N 1 2 375.491 -0.198 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 ZINC000462275675 530408944 /nfs/dbraw/zinc/40/89/44/530408944.db2.gz KJFAUIOCEGWLFG-UHFFFAOYSA-N 1 2 375.451 -0.389 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000462429967 530409267 /nfs/dbraw/zinc/40/92/67/530409267.db2.gz RTMCIFAYZJAOGF-KBPBESRZSA-N 1 2 376.523 -0.079 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000462429970 530409406 /nfs/dbraw/zinc/40/94/06/530409406.db2.gz RTMCIFAYZJAOGF-KGLIPLIRSA-N 1 2 376.523 -0.079 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000462429971 530126093 /nfs/dbraw/zinc/12/60/93/530126093.db2.gz RTMCIFAYZJAOGF-UONOGXRCSA-N 1 2 376.523 -0.079 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000462429972 530126537 /nfs/dbraw/zinc/12/65/37/530126537.db2.gz RTMCIFAYZJAOGF-ZIAGYGMSSA-N 1 2 376.523 -0.079 20 0 GBADLO COC(=O)c1ncsc1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000462668823 530134703 /nfs/dbraw/zinc/13/47/03/530134703.db2.gz OKMXQIQOBHFOFB-UHFFFAOYSA-N 1 2 390.487 -0.239 20 0 GBADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000462669580 530409546 /nfs/dbraw/zinc/40/95/46/530409546.db2.gz SQPGZLHEXNSHEY-CYBMUJFWSA-N 1 2 379.460 -0.709 20 0 GBADLO COC(=O)c1ncsc1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000462669581 530409788 /nfs/dbraw/zinc/40/97/88/530409788.db2.gz SQPGZLHEXNSHEY-ZDUSSCGKSA-N 1 2 379.460 -0.709 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCOC ZINC000462691497 530409769 /nfs/dbraw/zinc/40/97/69/530409769.db2.gz LTCLJOHBCLSELV-AWEZNQCLSA-N 1 2 385.552 -0.360 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCOC ZINC000462691498 530409449 /nfs/dbraw/zinc/40/94/49/530409449.db2.gz LTCLJOHBCLSELV-CQSZACIVSA-N 1 2 385.552 -0.360 20 0 GBADLO C[C@@H]1CN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CCS1(=O)=O ZINC000462698691 530409760 /nfs/dbraw/zinc/40/97/60/530409760.db2.gz ZOQHUCZBKDCJTL-CYBMUJFWSA-N 1 2 388.515 -0.359 20 0 GBADLO C[C@H]1CN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CCS1(=O)=O ZINC000462698694 530409661 /nfs/dbraw/zinc/40/96/61/530409661.db2.gz ZOQHUCZBKDCJTL-ZDUSSCGKSA-N 1 2 388.515 -0.359 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)cn1 ZINC000462704383 530409533 /nfs/dbraw/zinc/40/95/33/530409533.db2.gz LUMZKVVQVAGIKF-CYBMUJFWSA-N 1 2 378.520 -0.060 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)cn1 ZINC000462704385 530135749 /nfs/dbraw/zinc/13/57/49/530135749.db2.gz LUMZKVVQVAGIKF-ZDUSSCGKSA-N 1 2 378.520 -0.060 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccnn1C ZINC000462710582 530409676 /nfs/dbraw/zinc/40/96/76/530409676.db2.gz ZCJQCWNQTQSDFL-CYBMUJFWSA-N 1 2 378.520 -0.060 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccnn1C ZINC000462710583 530409747 /nfs/dbraw/zinc/40/97/47/530409747.db2.gz ZCJQCWNQTQSDFL-ZDUSSCGKSA-N 1 2 378.520 -0.060 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)S(N)(=O)=O ZINC000462971668 530409691 /nfs/dbraw/zinc/40/96/91/530409691.db2.gz RZGMSZDKYBBNQF-NEPJUHHUSA-N 1 2 388.515 -0.254 20 0 GBADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC1 ZINC000462971669 530409756 /nfs/dbraw/zinc/40/97/56/530409756.db2.gz RZGMSZDKYBBNQF-NWDGAFQWSA-N 1 2 388.515 -0.254 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)S(N)(=O)=O ZINC000462971670 530409735 /nfs/dbraw/zinc/40/97/35/530409735.db2.gz RZGMSZDKYBBNQF-RYUDHWBXSA-N 1 2 388.515 -0.254 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)S(N)(=O)=O ZINC000462971671 530409818 /nfs/dbraw/zinc/40/98/18/530409818.db2.gz RZGMSZDKYBBNQF-VXGBXAGGSA-N 1 2 388.515 -0.254 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCCS(=O)(=O)N(C)C)CC1 ZINC000463062632 530409526 /nfs/dbraw/zinc/40/95/26/530409526.db2.gz BHUKDHMOMNIVQL-UHFFFAOYSA-N 1 2 377.511 -0.927 20 0 GBADLO CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(NS(=O)(=O)NC)CC1)C(=O)OC ZINC000463193514 530409991 /nfs/dbraw/zinc/40/99/91/530409991.db2.gz PCGMTOCMDTWROB-BXUZGUMPSA-N 1 2 378.495 -0.792 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(NS(=O)(=O)NC)CC1)C(=O)OC ZINC000463193515 530410117 /nfs/dbraw/zinc/41/01/17/530410117.db2.gz PCGMTOCMDTWROB-FZMZJTMJSA-N 1 2 378.495 -0.792 20 0 GBADLO CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(NS(=O)(=O)NC)CC1)C(=O)OC ZINC000463193516 530410058 /nfs/dbraw/zinc/41/00/58/530410058.db2.gz PCGMTOCMDTWROB-RISCZKNCSA-N 1 2 378.495 -0.792 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(NS(=O)(=O)NC)CC1)C(=O)OC ZINC000463193517 530410207 /nfs/dbraw/zinc/41/02/07/530410207.db2.gz PCGMTOCMDTWROB-SMDDNHRTSA-N 1 2 378.495 -0.792 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000463196494 530410034 /nfs/dbraw/zinc/41/00/34/530410034.db2.gz KXMOIMLHCICIND-AWEZNQCLSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000463196494 530410032 /nfs/dbraw/zinc/41/00/32/530410032.db2.gz KXMOIMLHCICIND-AWEZNQCLSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000463196495 530409974 /nfs/dbraw/zinc/40/99/74/530409974.db2.gz KXMOIMLHCICIND-CQSZACIVSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000463196495 530409973 /nfs/dbraw/zinc/40/99/73/530409973.db2.gz KXMOIMLHCICIND-CQSZACIVSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)C1(NC(=O)C[N@@H+](CCNS(C)(=O)=O)C2CC2)CCCCC1 ZINC000463204884 530410189 /nfs/dbraw/zinc/41/01/89/530410189.db2.gz SYNYVDYCTZOJMC-UHFFFAOYSA-N 1 2 375.491 -0.008 20 0 GBADLO COC(=O)C1(NC(=O)C[N@H+](CCNS(C)(=O)=O)C2CC2)CCCCC1 ZINC000463204884 530410188 /nfs/dbraw/zinc/41/01/88/530410188.db2.gz SYNYVDYCTZOJMC-UHFFFAOYSA-N 1 2 375.491 -0.008 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000463214007 530410194 /nfs/dbraw/zinc/41/01/94/530410194.db2.gz ZTOOMLOKDMZQTI-UHFFFAOYSA-N 1 2 391.515 -0.013 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@@H+](CCNS(C)(=O)=O)C2CC2)CC1 ZINC000463215973 530410186 /nfs/dbraw/zinc/41/01/86/530410186.db2.gz ZFKKZXQBWPPCLJ-UHFFFAOYSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@H+](CCNS(C)(=O)=O)C2CC2)CC1 ZINC000463215973 530410185 /nfs/dbraw/zinc/41/01/85/530410185.db2.gz ZFKKZXQBWPPCLJ-UHFFFAOYSA-N 1 2 375.491 -0.198 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N[C@H](CC(C)C)C(=O)OC)CC1 ZINC000463216696 530409964 /nfs/dbraw/zinc/40/99/64/530409964.db2.gz WNPHPJWQXYORDB-CYBMUJFWSA-N 1 2 378.495 -0.792 20 0 GBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000463216697 530410165 /nfs/dbraw/zinc/41/01/65/530410165.db2.gz WNPHPJWQXYORDB-ZDUSSCGKSA-N 1 2 378.495 -0.792 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCNS(=O)(=O)c1ccccc1 ZINC000463338917 530410026 /nfs/dbraw/zinc/41/00/26/530410026.db2.gz JPVXYPJUDAFSIA-UHFFFAOYSA-N 1 2 391.515 -0.393 20 0 GBADLO CCCS(=O)(=O)N1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463341424 530410132 /nfs/dbraw/zinc/41/01/32/530410132.db2.gz WAZJNZVCXQCKOI-UHFFFAOYSA-N 1 2 397.563 -0.168 20 0 GBADLO CCCS(=O)(=O)NC1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463341600 530410129 /nfs/dbraw/zinc/41/01/29/530410129.db2.gz XQOKPQVKVZFMLW-UHFFFAOYSA-N 1 2 397.563 -0.168 20 0 GBADLO O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463343424 530410163 /nfs/dbraw/zinc/41/01/63/530410163.db2.gz NRQBPEZHVGAJAA-AWEZNQCLSA-N 1 2 377.532 -0.060 20 0 GBADLO O=C(NCC1CC1)[C@H]1CSCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463343425 530410002 /nfs/dbraw/zinc/41/00/02/530410002.db2.gz NRQBPEZHVGAJAA-CQSZACIVSA-N 1 2 377.532 -0.060 20 0 GBADLO CS(=O)(=O)N1CCC(CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463353419 530410204 /nfs/dbraw/zinc/41/02/04/530410204.db2.gz VNXDRZJKZWITDN-UHFFFAOYSA-N 1 2 383.536 -0.700 20 0 GBADLO CC(C)NC(=O)CN1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463355536 530410052 /nfs/dbraw/zinc/41/00/52/530410052.db2.gz SAGJSVVPZMTEBE-UHFFFAOYSA-N 1 2 376.523 -0.819 20 0 GBADLO CCN(C1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000463414436 530410526 /nfs/dbraw/zinc/41/05/26/530410526.db2.gz JDVCSNXHCMJDIC-UHFFFAOYSA-N 1 2 397.563 -0.216 20 0 GBADLO CNC(=O)CCOC1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463421822 530410327 /nfs/dbraw/zinc/41/03/27/530410327.db2.gz NYCVCHZNWNLHFS-UHFFFAOYSA-N 1 2 377.507 -0.344 20 0 GBADLO O=C1[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CCN1C1CCOCC1 ZINC000463424330 530410557 /nfs/dbraw/zinc/41/05/57/530410557.db2.gz NBPXMCLETSEXGD-HNNXBMFYSA-N 1 2 375.491 -0.592 20 0 GBADLO O=C1[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)CCN1C1CCOCC1 ZINC000463424331 530410595 /nfs/dbraw/zinc/41/05/95/530410595.db2.gz NBPXMCLETSEXGD-OAHLLOKOSA-N 1 2 375.491 -0.592 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)CCCN2CCOCC2)CC1 ZINC000463425433 530410536 /nfs/dbraw/zinc/41/05/36/530410536.db2.gz SLLUZFROGSWCLN-UHFFFAOYSA-N 1 2 376.523 -0.819 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCS(=O)(=O)NCC1CCC1 ZINC000463426129 530189162 /nfs/dbraw/zinc/18/91/62/530189162.db2.gz XWRWSZGMTDRUAE-UHFFFAOYSA-N 1 2 383.536 -0.652 20 0 GBADLO CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463429289 530410584 /nfs/dbraw/zinc/41/05/84/530410584.db2.gz OHQLBQCSFNIRPX-UHFFFAOYSA-N 1 2 397.563 -0.216 20 0 GBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)CCCN2CCOCC2)CC1 ZINC000463843916 530410553 /nfs/dbraw/zinc/41/05/53/530410553.db2.gz GSHRWQCIJJSVAS-UHFFFAOYSA-N 1 2 376.523 -0.866 20 0 GBADLO COCCC(=O)N1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463843917 530410562 /nfs/dbraw/zinc/41/05/62/530410562.db2.gz ABVOAMLSNSNTFP-UHFFFAOYSA-N 1 2 377.507 -0.344 20 0 GBADLO CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463848272 530410506 /nfs/dbraw/zinc/41/05/06/530410506.db2.gz IGMDQJUKPSVINK-UHFFFAOYSA-N 1 2 383.536 -0.606 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCNS(=O)(=O)c1cccnc1 ZINC000463857376 530410578 /nfs/dbraw/zinc/41/05/78/530410578.db2.gz SLSIYIFORSHRNS-UHFFFAOYSA-N 1 2 392.503 -0.998 20 0 GBADLO Nc1nsc(N2CCN(S(=O)(=O)CCC[NH+]3CCOCC3)CC2)n1 ZINC000463860259 530180515 /nfs/dbraw/zinc/18/05/15/530180515.db2.gz ZALVQYSHKGKWJD-UHFFFAOYSA-N 1 2 376.508 -0.706 20 0 GBADLO CCOC(=O)[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C1CCOCC1 ZINC000463864820 530410416 /nfs/dbraw/zinc/41/04/16/530410416.db2.gz KCYYCSSJVJEDIV-HNNXBMFYSA-N 1 2 378.491 -0.014 20 0 GBADLO CCOC(=O)[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C1CCOCC1 ZINC000463864821 530410351 /nfs/dbraw/zinc/41/03/51/530410351.db2.gz KCYYCSSJVJEDIV-OAHLLOKOSA-N 1 2 378.491 -0.014 20 0 GBADLO CC(C)[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)N1CCOCC1 ZINC000463873654 530410566 /nfs/dbraw/zinc/41/05/66/530410566.db2.gz SXNROBAXKLIBQF-HNNXBMFYSA-N 1 2 377.507 -0.489 20 0 GBADLO CC(C)[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)N1CCOCC1 ZINC000463873656 530410568 /nfs/dbraw/zinc/41/05/68/530410568.db2.gz SXNROBAXKLIBQF-OAHLLOKOSA-N 1 2 377.507 -0.489 20 0 GBADLO COCCCS(=O)(=O)NCC[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000464491729 530125209 /nfs/dbraw/zinc/12/52/09/530125209.db2.gz ZMLUOPCLQJVITE-UHFFFAOYSA-N 1 2 397.563 -0.863 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O)S(C)(=O)=O ZINC000464624106 530410800 /nfs/dbraw/zinc/41/08/00/530410800.db2.gz PSIPMMOVFMNXSC-CABCVRRESA-N 1 2 379.523 -0.366 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O)S(C)(=O)=O ZINC000464624106 530410797 /nfs/dbraw/zinc/41/07/97/530410797.db2.gz PSIPMMOVFMNXSC-CABCVRRESA-N 1 2 379.523 -0.366 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCOC[C@@H]1C[C@H](C)O)S(C)(=O)=O ZINC000464624107 530410792 /nfs/dbraw/zinc/41/07/92/530410792.db2.gz PSIPMMOVFMNXSC-GJZGRUSLSA-N 1 2 379.523 -0.366 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O)S(C)(=O)=O ZINC000464624107 530410789 /nfs/dbraw/zinc/41/07/89/530410789.db2.gz PSIPMMOVFMNXSC-GJZGRUSLSA-N 1 2 379.523 -0.366 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCOC[C@H]1C[C@@H](C)O)S(C)(=O)=O ZINC000464624108 530410660 /nfs/dbraw/zinc/41/06/60/530410660.db2.gz PSIPMMOVFMNXSC-HUUCEWRRSA-N 1 2 379.523 -0.366 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCOC[C@H]1C[C@@H](C)O)S(C)(=O)=O ZINC000464624108 530410657 /nfs/dbraw/zinc/41/06/57/530410657.db2.gz PSIPMMOVFMNXSC-HUUCEWRRSA-N 1 2 379.523 -0.366 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCOC[C@H]1C[C@H](C)O)S(C)(=O)=O ZINC000464624109 530125824 /nfs/dbraw/zinc/12/58/24/530125824.db2.gz PSIPMMOVFMNXSC-LSDHHAIUSA-N 1 2 379.523 -0.366 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCOC[C@H]1C[C@H](C)O)S(C)(=O)=O ZINC000464624109 530125821 /nfs/dbraw/zinc/12/58/21/530125821.db2.gz PSIPMMOVFMNXSC-LSDHHAIUSA-N 1 2 379.523 -0.366 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCCNS(=O)(=O)CC)CC1 ZINC000465554073 530411096 /nfs/dbraw/zinc/41/10/96/530411096.db2.gz XKDOKLCOHZERKX-UHFFFAOYSA-N 1 2 377.511 -0.879 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC3(O)CCC3)CC2)cc1 ZINC000466359368 530411598 /nfs/dbraw/zinc/41/15/98/530411598.db2.gz MVBFMVPMFPCCDF-UHFFFAOYSA-N 1 2 389.499 -0.445 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NCCC(F)(F)F)CC2)CC1 ZINC000466451250 530411556 /nfs/dbraw/zinc/41/15/56/530411556.db2.gz GXAGUXHORCBSMN-UHFFFAOYSA-N 1 2 387.428 -0.242 20 0 GBADLO CO[C@@H](C)[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466488900 530411783 /nfs/dbraw/zinc/41/17/83/530411783.db2.gz OBJZEEBNFICVDK-KBPBESRZSA-N 1 2 377.511 -0.771 20 0 GBADLO CO[C@H](C)[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466488901 530411587 /nfs/dbraw/zinc/41/15/87/530411587.db2.gz OBJZEEBNFICVDK-UONOGXRCSA-N 1 2 377.511 -0.771 20 0 GBADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000466924803 1073015893 /nfs/dbraw/zinc/01/58/93/1073015893.db2.gz CARFJEAFIRPWEW-AAEUAGOBSA-N 1 2 395.485 -0.385 20 0 GBADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000466924803 1073015889 /nfs/dbraw/zinc/01/58/89/1073015889.db2.gz CARFJEAFIRPWEW-AAEUAGOBSA-N 1 2 395.485 -0.385 20 0 GBADLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000466924804 1073016582 /nfs/dbraw/zinc/01/65/82/1073016582.db2.gz CARFJEAFIRPWEW-DGCLKSJQSA-N 1 2 395.485 -0.385 20 0 GBADLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000466924804 1073016578 /nfs/dbraw/zinc/01/65/78/1073016578.db2.gz CARFJEAFIRPWEW-DGCLKSJQSA-N 1 2 395.485 -0.385 20 0 GBADLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000466924805 1073015949 /nfs/dbraw/zinc/01/59/49/1073015949.db2.gz CARFJEAFIRPWEW-WCQYABFASA-N 1 2 395.485 -0.385 20 0 GBADLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000466924805 1073015944 /nfs/dbraw/zinc/01/59/44/1073015944.db2.gz CARFJEAFIRPWEW-WCQYABFASA-N 1 2 395.485 -0.385 20 0 GBADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000466924806 1073018546 /nfs/dbraw/zinc/01/85/46/1073018546.db2.gz CARFJEAFIRPWEW-YPMHNXCESA-N 1 2 395.485 -0.385 20 0 GBADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000466924806 1073018537 /nfs/dbraw/zinc/01/85/37/1073018537.db2.gz CARFJEAFIRPWEW-YPMHNXCESA-N 1 2 395.485 -0.385 20 0 GBADLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)C1 ZINC000466941132 1073514141 /nfs/dbraw/zinc/51/41/41/1073514141.db2.gz TVFLUJKHBSGXKI-CYBMUJFWSA-N 1 2 377.445 -0.093 20 0 GBADLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)C1 ZINC000466941132 1073514126 /nfs/dbraw/zinc/51/41/26/1073514126.db2.gz TVFLUJKHBSGXKI-CYBMUJFWSA-N 1 2 377.445 -0.093 20 0 GBADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)C1 ZINC000466941133 1073514222 /nfs/dbraw/zinc/51/42/22/1073514222.db2.gz TVFLUJKHBSGXKI-ZDUSSCGKSA-N 1 2 377.445 -0.093 20 0 GBADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)C1 ZINC000466941133 1073514213 /nfs/dbraw/zinc/51/42/13/1073514213.db2.gz TVFLUJKHBSGXKI-ZDUSSCGKSA-N 1 2 377.445 -0.093 20 0 GBADLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000466949349 530411868 /nfs/dbraw/zinc/41/18/68/530411868.db2.gz CBCFNFZPOCNVOF-CYBMUJFWSA-N 1 2 377.511 -0.834 20 0 GBADLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000466949349 530411865 /nfs/dbraw/zinc/41/18/65/530411865.db2.gz CBCFNFZPOCNVOF-CYBMUJFWSA-N 1 2 377.511 -0.834 20 0 GBADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000466949350 530412135 /nfs/dbraw/zinc/41/21/35/530412135.db2.gz CBCFNFZPOCNVOF-ZDUSSCGKSA-N 1 2 377.511 -0.834 20 0 GBADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000466949350 530412133 /nfs/dbraw/zinc/41/21/33/530412133.db2.gz CBCFNFZPOCNVOF-ZDUSSCGKSA-N 1 2 377.511 -0.834 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000466954547 1072864024 /nfs/dbraw/zinc/86/40/24/1072864024.db2.gz MZCOFOQOMIRFGJ-KRWDZBQOSA-N 1 2 396.469 -0.117 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000466954547 1072864013 /nfs/dbraw/zinc/86/40/13/1072864013.db2.gz MZCOFOQOMIRFGJ-KRWDZBQOSA-N 1 2 396.469 -0.117 20 0 GBADLO CO[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[C@H]1C ZINC000467140707 1072532436 /nfs/dbraw/zinc/53/24/36/1072532436.db2.gz FRQJOFKIQLZGQD-CABCVRRESA-N 1 2 379.461 0.037 20 0 GBADLO CO[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[C@@H]1C ZINC000467140708 1072532588 /nfs/dbraw/zinc/53/25/88/1072532588.db2.gz FRQJOFKIQLZGQD-GJZGRUSLSA-N 1 2 379.461 0.037 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000467165220 1072815899 /nfs/dbraw/zinc/81/58/99/1072815899.db2.gz UDRLNLBQYXIHJM-CQSZACIVSA-N 1 2 391.472 -0.298 20 0 GBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000467299297 1072306646 /nfs/dbraw/zinc/30/66/46/1072306646.db2.gz JIMUKFHKAJGNBY-RKVPGOIHSA-N 1 2 380.489 -0.508 20 0 GBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000467299297 1072306643 /nfs/dbraw/zinc/30/66/43/1072306643.db2.gz JIMUKFHKAJGNBY-RKVPGOIHSA-N 1 2 380.489 -0.508 20 0 GBADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000467299298 1072306606 /nfs/dbraw/zinc/30/66/06/1072306606.db2.gz JIMUKFHKAJGNBY-VKJFTORMSA-N 1 2 380.489 -0.508 20 0 GBADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000467299298 1072306602 /nfs/dbraw/zinc/30/66/02/1072306602.db2.gz JIMUKFHKAJGNBY-VKJFTORMSA-N 1 2 380.489 -0.508 20 0 GBADLO Cn1c[nH+]cc1CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000467446316 530412464 /nfs/dbraw/zinc/41/24/64/530412464.db2.gz DKTSFHYSNPTKKW-UHFFFAOYSA-N 1 2 386.455 -0.190 20 0 GBADLO O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000467494663 530412469 /nfs/dbraw/zinc/41/24/69/530412469.db2.gz KWDIJKVNOXCDCB-UHFFFAOYSA-N 1 2 391.515 -0.393 20 0 GBADLO CCN(C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000467804598 530412896 /nfs/dbraw/zinc/41/28/96/530412896.db2.gz YEIKQBUEEYNDGG-UHFFFAOYSA-N 1 2 391.519 -0.681 20 0 GBADLO C[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000468149205 530413339 /nfs/dbraw/zinc/41/33/39/530413339.db2.gz XJJYJCMSYIFXFY-LLVKDONJSA-N 1 2 377.463 -0.337 20 0 GBADLO C[N@H+](CCC(=O)OC(C)(C)C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000468149205 530413337 /nfs/dbraw/zinc/41/33/37/530413337.db2.gz XJJYJCMSYIFXFY-LLVKDONJSA-N 1 2 377.463 -0.337 20 0 GBADLO C[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000468149206 530413387 /nfs/dbraw/zinc/41/33/87/530413387.db2.gz XJJYJCMSYIFXFY-NSHDSACASA-N 1 2 377.463 -0.337 20 0 GBADLO C[N@H+](CCC(=O)OC(C)(C)C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000468149206 530413386 /nfs/dbraw/zinc/41/33/86/530413386.db2.gz XJJYJCMSYIFXFY-NSHDSACASA-N 1 2 377.463 -0.337 20 0 GBADLO CC(C)S(=O)(=O)CCCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000468269635 530413295 /nfs/dbraw/zinc/41/32/95/530413295.db2.gz ZFXIKIRQWYKDHP-UHFFFAOYSA-N 1 2 396.579 -0.691 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000468276439 530413320 /nfs/dbraw/zinc/41/33/20/530413320.db2.gz CXUVSXXJMWTULW-AWEZNQCLSA-N 1 2 376.523 -0.773 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000468276440 530413217 /nfs/dbraw/zinc/41/32/17/530413217.db2.gz CXUVSXXJMWTULW-CQSZACIVSA-N 1 2 376.523 -0.773 20 0 GBADLO CC(C)[C@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000468414021 530413136 /nfs/dbraw/zinc/41/31/36/530413136.db2.gz DIIGMLIBUMTQHQ-HNNXBMFYSA-N 1 2 398.595 -0.541 20 0 GBADLO CC(C)[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000468414022 530413149 /nfs/dbraw/zinc/41/31/49/530413149.db2.gz DIIGMLIBUMTQHQ-OAHLLOKOSA-N 1 2 398.595 -0.541 20 0 GBADLO CC(C)C[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)[NH+]1CCOCC1 ZINC000468416280 530413272 /nfs/dbraw/zinc/41/32/72/530413272.db2.gz HRXCQUDGGIINOD-HNNXBMFYSA-N 1 2 399.579 -0.066 20 0 GBADLO CC(C)C[C@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)[NH+]1CCOCC1 ZINC000468416290 530413168 /nfs/dbraw/zinc/41/31/68/530413168.db2.gz HRXCQUDGGIINOD-OAHLLOKOSA-N 1 2 399.579 -0.066 20 0 GBADLO CC(C)[C@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)[NH+]1CCOCC1 ZINC000468417439 530413252 /nfs/dbraw/zinc/41/32/52/530413252.db2.gz MOYFPGIYGSLGGS-AWEZNQCLSA-N 1 2 385.552 -0.456 20 0 GBADLO CC(C)[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)[NH+]1CCOCC1 ZINC000468417440 530413369 /nfs/dbraw/zinc/41/33/69/530413369.db2.gz MOYFPGIYGSLGGS-CQSZACIVSA-N 1 2 385.552 -0.456 20 0 GBADLO CCS(=O)(=O)NC1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000468419763 1072785924 /nfs/dbraw/zinc/78/59/24/1072785924.db2.gz OQVJZTFNIXTVAP-UHFFFAOYSA-N 1 2 382.490 -0.337 20 0 GBADLO CCS(=O)(=O)NC1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000468419763 1072785919 /nfs/dbraw/zinc/78/59/19/1072785919.db2.gz OQVJZTFNIXTVAP-UHFFFAOYSA-N 1 2 382.490 -0.337 20 0 GBADLO CC(=O)N[C@@H](CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C(N)=O ZINC000468706544 1073301792 /nfs/dbraw/zinc/30/17/92/1073301792.db2.gz LSVGNJDBXJEFON-INIZCTEOSA-N 1 2 392.456 -0.606 20 0 GBADLO Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC000468757431 530413781 /nfs/dbraw/zinc/41/37/81/530413781.db2.gz AGAHTBHJYHEFCU-UHFFFAOYSA-N 1 2 389.459 -0.085 20 0 GBADLO CS(=O)(=O)c1ccc(CNC(=O)N(CCO)CC[NH+]2CCOCC2)s1 ZINC000469098136 530103449 /nfs/dbraw/zinc/10/34/49/530103449.db2.gz SSGXIPOMPZYBBI-UHFFFAOYSA-N 1 2 391.515 -0.012 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000469222537 1072583176 /nfs/dbraw/zinc/58/31/76/1072583176.db2.gz DFCXDQYDWOMNMR-KBPBESRZSA-N 1 2 392.522 -0.954 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000469307962 530414535 /nfs/dbraw/zinc/41/45/35/530414535.db2.gz ZPOGMKGMBSKFEK-AWEZNQCLSA-N 1 2 390.487 -0.643 20 0 GBADLO Cn1c2ncn(CCC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)c2c(=O)n(C)c1=O ZINC000469428530 1072927381 /nfs/dbraw/zinc/92/73/81/1072927381.db2.gz RONQCAAJPPISPM-AWEZNQCLSA-N 1 2 398.423 -0.101 20 0 GBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCCCNc2cccc[nH+]2)o1 ZINC000469564412 1073100640 /nfs/dbraw/zinc/10/06/40/1073100640.db2.gz YHIUEXXNFWFFHL-UHFFFAOYSA-N 1 2 381.414 -0.330 20 0 GBADLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@@H]1C ZINC000469851616 1073402572 /nfs/dbraw/zinc/40/25/72/1073402572.db2.gz ZOJWSDFYNBWYTR-RBSFLKMASA-N 1 2 387.502 -0.799 20 0 GBADLO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@@H]1C ZINC000469851616 1073402569 /nfs/dbraw/zinc/40/25/69/1073402569.db2.gz ZOJWSDFYNBWYTR-RBSFLKMASA-N 1 2 387.502 -0.799 20 0 GBADLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@H]1C ZINC000469851617 1073402562 /nfs/dbraw/zinc/40/25/62/1073402562.db2.gz ZOJWSDFYNBWYTR-RRFJBIMHSA-N 1 2 387.502 -0.799 20 0 GBADLO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@H]1C ZINC000469851617 1073402558 /nfs/dbraw/zinc/40/25/58/1073402558.db2.gz ZOJWSDFYNBWYTR-RRFJBIMHSA-N 1 2 387.502 -0.799 20 0 GBADLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[C@H]1C ZINC000469851618 1073402738 /nfs/dbraw/zinc/40/27/38/1073402738.db2.gz ZOJWSDFYNBWYTR-SOUVJXGZSA-N 1 2 387.502 -0.799 20 0 GBADLO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[C@H]1C ZINC000469851618 1073402737 /nfs/dbraw/zinc/40/27/37/1073402737.db2.gz ZOJWSDFYNBWYTR-SOUVJXGZSA-N 1 2 387.502 -0.799 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000469860445 530415494 /nfs/dbraw/zinc/41/54/94/530415494.db2.gz FSNISEQBKYHXAJ-IHRRRGAJSA-N 1 2 376.475 -0.468 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000469860445 530415493 /nfs/dbraw/zinc/41/54/93/530415493.db2.gz FSNISEQBKYHXAJ-IHRRRGAJSA-N 1 2 376.475 -0.468 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000469860451 530415719 /nfs/dbraw/zinc/41/57/19/530415719.db2.gz FSNISEQBKYHXAJ-MCIONIFRSA-N 1 2 376.475 -0.468 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000469860451 530415718 /nfs/dbraw/zinc/41/57/18/530415718.db2.gz FSNISEQBKYHXAJ-MCIONIFRSA-N 1 2 376.475 -0.468 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000469860453 530415727 /nfs/dbraw/zinc/41/57/27/530415727.db2.gz FSNISEQBKYHXAJ-MJBXVCDLSA-N 1 2 376.475 -0.468 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000469860453 530415726 /nfs/dbraw/zinc/41/57/26/530415726.db2.gz FSNISEQBKYHXAJ-MJBXVCDLSA-N 1 2 376.475 -0.468 20 0 GBADLO COCCN(C(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000469860454 530415410 /nfs/dbraw/zinc/41/54/10/530415410.db2.gz FSNISEQBKYHXAJ-RDBSUJKOSA-N 1 2 376.475 -0.468 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000469860454 530415408 /nfs/dbraw/zinc/41/54/08/530415408.db2.gz FSNISEQBKYHXAJ-RDBSUJKOSA-N 1 2 376.475 -0.468 20 0 GBADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000470197113 530415566 /nfs/dbraw/zinc/41/55/66/530415566.db2.gz GVUUSSNUKNLGID-LLVKDONJSA-N 1 2 390.487 -0.666 20 0 GBADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000470197113 530415565 /nfs/dbraw/zinc/41/55/65/530415565.db2.gz GVUUSSNUKNLGID-LLVKDONJSA-N 1 2 390.487 -0.666 20 0 GBADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000470197114 530415459 /nfs/dbraw/zinc/41/54/59/530415459.db2.gz GVUUSSNUKNLGID-NSHDSACASA-N 1 2 390.487 -0.666 20 0 GBADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000470197114 530415457 /nfs/dbraw/zinc/41/54/57/530415457.db2.gz GVUUSSNUKNLGID-NSHDSACASA-N 1 2 390.487 -0.666 20 0 GBADLO CS(=O)(=O)N1CCN(CC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000470371210 530415953 /nfs/dbraw/zinc/41/59/53/530415953.db2.gz DIDZGEKUYYUVFP-UHFFFAOYSA-N 1 2 383.396 -0.361 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000470463178 530415864 /nfs/dbraw/zinc/41/58/64/530415864.db2.gz HBZXNEGFXMAFSF-JTQLQIEISA-N 1 2 389.250 -0.062 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000470463178 530415861 /nfs/dbraw/zinc/41/58/61/530415861.db2.gz HBZXNEGFXMAFSF-JTQLQIEISA-N 1 2 389.250 -0.062 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000470463179 530416177 /nfs/dbraw/zinc/41/61/77/530416177.db2.gz HBZXNEGFXMAFSF-SNVBAGLBSA-N 1 2 389.250 -0.062 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000470463179 530416176 /nfs/dbraw/zinc/41/61/76/530416176.db2.gz HBZXNEGFXMAFSF-SNVBAGLBSA-N 1 2 389.250 -0.062 20 0 GBADLO COC(=O)c1sccc1NC(=O)CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000471017398 530416323 /nfs/dbraw/zinc/41/63/23/530416323.db2.gz FFLIHCNCYICUQM-UHFFFAOYSA-N 1 2 390.487 -0.621 20 0 GBADLO CN(CCCNC(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1)S(C)(=O)=O ZINC000471176250 1072194710 /nfs/dbraw/zinc/19/47/10/1072194710.db2.gz IBLKSEOMNCCBHQ-UHFFFAOYSA-N 1 2 398.529 -0.093 20 0 GBADLO CCOC(=O)C1(O)CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000471180965 1072199432 /nfs/dbraw/zinc/19/94/32/1072199432.db2.gz BPKQKWGQGOQUKH-UHFFFAOYSA-N 1 2 393.440 -0.443 20 0 GBADLO CCOC(=O)C1(O)CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000471188877 1072216209 /nfs/dbraw/zinc/21/62/09/1072216209.db2.gz ZDMIIOQELZHIEV-UHFFFAOYSA-N 1 2 393.440 -0.046 20 0 GBADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000471189528 1072215751 /nfs/dbraw/zinc/21/57/51/1072215751.db2.gz ZBVLXJKNOOJGMB-AWEZNQCLSA-N 1 2 386.518 -0.801 20 0 GBADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000471189528 1072215749 /nfs/dbraw/zinc/21/57/49/1072215749.db2.gz ZBVLXJKNOOJGMB-AWEZNQCLSA-N 1 2 386.518 -0.801 20 0 GBADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000471189529 1072216081 /nfs/dbraw/zinc/21/60/81/1072216081.db2.gz ZBVLXJKNOOJGMB-CQSZACIVSA-N 1 2 386.518 -0.801 20 0 GBADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000471189529 1072216078 /nfs/dbraw/zinc/21/60/78/1072216078.db2.gz ZBVLXJKNOOJGMB-CQSZACIVSA-N 1 2 386.518 -0.801 20 0 GBADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000471214001 530416894 /nfs/dbraw/zinc/41/68/94/530416894.db2.gz WUECPJVKYHFTLI-GFCCVEGCSA-N 1 2 381.520 -0.635 20 0 GBADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000471214001 530416892 /nfs/dbraw/zinc/41/68/92/530416892.db2.gz WUECPJVKYHFTLI-GFCCVEGCSA-N 1 2 381.520 -0.635 20 0 GBADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000471214002 530416836 /nfs/dbraw/zinc/41/68/36/530416836.db2.gz WUECPJVKYHFTLI-LBPRGKRZSA-N 1 2 381.520 -0.635 20 0 GBADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000471214002 530416834 /nfs/dbraw/zinc/41/68/34/530416834.db2.gz WUECPJVKYHFTLI-LBPRGKRZSA-N 1 2 381.520 -0.635 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000471214864 1072231081 /nfs/dbraw/zinc/23/10/81/1072231081.db2.gz DXFOYFWJACEBET-AWEZNQCLSA-N 1 2 395.403 -0.008 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000471214864 1072231077 /nfs/dbraw/zinc/23/10/77/1072231077.db2.gz DXFOYFWJACEBET-AWEZNQCLSA-N 1 2 395.403 -0.008 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000471214869 1072231108 /nfs/dbraw/zinc/23/11/08/1072231108.db2.gz DXFOYFWJACEBET-CQSZACIVSA-N 1 2 395.403 -0.008 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000471214869 1072231105 /nfs/dbraw/zinc/23/11/05/1072231105.db2.gz DXFOYFWJACEBET-CQSZACIVSA-N 1 2 395.403 -0.008 20 0 GBADLO CN(CCCNC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)S(C)(=O)=O ZINC000471239236 530416942 /nfs/dbraw/zinc/41/69/42/530416942.db2.gz OYZXKTICQTYFBC-KBPBESRZSA-N 1 2 397.563 -0.328 20 0 GBADLO CN(CCCNC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)S(C)(=O)=O ZINC000471239236 530416941 /nfs/dbraw/zinc/41/69/41/530416941.db2.gz OYZXKTICQTYFBC-KBPBESRZSA-N 1 2 397.563 -0.328 20 0 GBADLO CN(CCCNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(C)(=O)=O ZINC000471239237 530416950 /nfs/dbraw/zinc/41/69/50/530416950.db2.gz OYZXKTICQTYFBC-KGLIPLIRSA-N 1 2 397.563 -0.328 20 0 GBADLO CN(CCCNC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(C)(=O)=O ZINC000471239237 530416949 /nfs/dbraw/zinc/41/69/49/530416949.db2.gz OYZXKTICQTYFBC-KGLIPLIRSA-N 1 2 397.563 -0.328 20 0 GBADLO CN(CCCNC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O)S(C)(=O)=O ZINC000471239238 530416827 /nfs/dbraw/zinc/41/68/27/530416827.db2.gz OYZXKTICQTYFBC-UONOGXRCSA-N 1 2 397.563 -0.328 20 0 GBADLO CN(CCCNC(=O)C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O)S(C)(=O)=O ZINC000471239238 530416825 /nfs/dbraw/zinc/41/68/25/530416825.db2.gz OYZXKTICQTYFBC-UONOGXRCSA-N 1 2 397.563 -0.328 20 0 GBADLO CN(CCCNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O)S(C)(=O)=O ZINC000471239239 530416874 /nfs/dbraw/zinc/41/68/74/530416874.db2.gz OYZXKTICQTYFBC-ZIAGYGMSSA-N 1 2 397.563 -0.328 20 0 GBADLO CN(CCCNC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O)S(C)(=O)=O ZINC000471239239 530416872 /nfs/dbraw/zinc/41/68/72/530416872.db2.gz OYZXKTICQTYFBC-ZIAGYGMSSA-N 1 2 397.563 -0.328 20 0 GBADLO O=C(CNC(=O)c1cccc(O)c1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000471395808 1072311577 /nfs/dbraw/zinc/31/15/77/1072311577.db2.gz FWOURVUBKHKSNS-UHFFFAOYSA-N 1 2 384.440 -0.150 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000471466223 1072346883 /nfs/dbraw/zinc/34/68/83/1072346883.db2.gz VHJQPNHFPYXEJF-AAEUAGOBSA-N 1 2 388.432 -0.772 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000471466227 1072346868 /nfs/dbraw/zinc/34/68/68/1072346868.db2.gz VHJQPNHFPYXEJF-DGCLKSJQSA-N 1 2 388.432 -0.772 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000471466228 1072347213 /nfs/dbraw/zinc/34/72/13/1072347213.db2.gz VHJQPNHFPYXEJF-WCQYABFASA-N 1 2 388.432 -0.772 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000471466229 1072347120 /nfs/dbraw/zinc/34/71/20/1072347120.db2.gz VHJQPNHFPYXEJF-YPMHNXCESA-N 1 2 388.432 -0.772 20 0 GBADLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCCNS(C)(=O)=O)cn1 ZINC000471604884 530416917 /nfs/dbraw/zinc/41/69/17/530416917.db2.gz YFXLDWGUYJAVED-STQMWFEESA-N 1 2 376.458 -0.819 20 0 GBADLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCCNS(C)(=O)=O)cn1 ZINC000471604884 530416916 /nfs/dbraw/zinc/41/69/16/530416916.db2.gz YFXLDWGUYJAVED-STQMWFEESA-N 1 2 376.458 -0.819 20 0 GBADLO C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000471694680 1072169977 /nfs/dbraw/zinc/16/99/77/1072169977.db2.gz WJXUJXMQMCDMMA-HNNXBMFYSA-N 1 2 377.363 -0.245 20 0 GBADLO C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000471694681 1072170266 /nfs/dbraw/zinc/17/02/66/1072170266.db2.gz WJXUJXMQMCDMMA-OAHLLOKOSA-N 1 2 377.363 -0.245 20 0 GBADLO CNC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000471869804 1072216908 /nfs/dbraw/zinc/21/69/08/1072216908.db2.gz CACQJJYAZZEANW-UHFFFAOYSA-N 1 2 382.486 -0.169 20 0 GBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000471873215 1072216834 /nfs/dbraw/zinc/21/68/34/1072216834.db2.gz BTZGTIFKOUEHEC-UHFFFAOYSA-N 1 2 393.473 -0.553 20 0 GBADLO COC(=O)c1nscc1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000471877138 530417314 /nfs/dbraw/zinc/41/73/14/530417314.db2.gz PQUGVLWITSDXPV-UHFFFAOYSA-N 1 2 390.487 -0.286 20 0 GBADLO COC(=O)CC1(CS(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000471877612 530417319 /nfs/dbraw/zinc/41/73/19/530417319.db2.gz SFVWNIVOXFKVQS-UHFFFAOYSA-N 1 2 375.491 -0.245 20 0 GBADLO Cc1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1C(N)=O ZINC000471891881 1072226725 /nfs/dbraw/zinc/22/67/25/1072226725.db2.gz CTVDLCYCKJYRHL-UHFFFAOYSA-N 1 2 382.486 -0.121 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cn1C ZINC000471894487 1072227874 /nfs/dbraw/zinc/22/78/74/1072227874.db2.gz CXWFDQHYUQNNNB-UHFFFAOYSA-N 1 2 386.474 -0.404 20 0 GBADLO CN1CCO[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C[C@H]21 ZINC000471985102 1072269979 /nfs/dbraw/zinc/26/99/79/1072269979.db2.gz JRFAEWYLNKHGLG-CVEARBPZSA-N 1 2 375.477 -0.677 20 0 GBADLO CN1CCO[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000471985103 1072269890 /nfs/dbraw/zinc/26/98/90/1072269890.db2.gz JRFAEWYLNKHGLG-HOTGVXAUSA-N 1 2 375.477 -0.677 20 0 GBADLO CN1CCO[C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C[C@H]21 ZINC000471985104 1072270015 /nfs/dbraw/zinc/27/00/15/1072270015.db2.gz JRFAEWYLNKHGLG-HZPDHXFCSA-N 1 2 375.477 -0.677 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000472038307 1072290153 /nfs/dbraw/zinc/29/01/53/1072290153.db2.gz NHYPGFFXHZJABR-AWEZNQCLSA-N 1 2 387.502 -0.326 20 0 GBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000472038311 1072290076 /nfs/dbraw/zinc/29/00/76/1072290076.db2.gz NHYPGFFXHZJABR-CQSZACIVSA-N 1 2 387.502 -0.326 20 0 GBADLO CN(CCCCO)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000472110759 1072300327 /nfs/dbraw/zinc/30/03/27/1072300327.db2.gz OZNSEYGVKSQTPJ-UHFFFAOYSA-N 1 2 399.517 -0.053 20 0 GBADLO CC(C)OCC[C@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472155292 530417350 /nfs/dbraw/zinc/41/73/50/530417350.db2.gz KNXAPEZUBGKXGJ-INIZCTEOSA-N 1 2 378.539 -0.728 20 0 GBADLO CC(C)OCC[C@@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472155296 530417393 /nfs/dbraw/zinc/41/73/93/530417393.db2.gz KNXAPEZUBGKXGJ-MRXNPFEDSA-N 1 2 378.539 -0.728 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000472158867 1072312026 /nfs/dbraw/zinc/31/20/26/1072312026.db2.gz QVTGLOWZWBXMQK-KBPBESRZSA-N 1 2 392.422 -0.080 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000472158868 1072312070 /nfs/dbraw/zinc/31/20/70/1072312070.db2.gz QVTGLOWZWBXMQK-KGLIPLIRSA-N 1 2 392.422 -0.080 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000472158869 1072312002 /nfs/dbraw/zinc/31/20/02/1072312002.db2.gz QVTGLOWZWBXMQK-UONOGXRCSA-N 1 2 392.422 -0.080 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000472158870 1072312083 /nfs/dbraw/zinc/31/20/83/1072312083.db2.gz QVTGLOWZWBXMQK-ZIAGYGMSSA-N 1 2 392.422 -0.080 20 0 GBADLO NC(=O)c1ccccc1CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000472159668 1072311573 /nfs/dbraw/zinc/31/15/73/1072311573.db2.gz RINFJFIHXZXHMO-INIZCTEOSA-N 1 2 388.468 -0.233 20 0 GBADLO NC(=O)c1ccccc1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000472159671 1072312053 /nfs/dbraw/zinc/31/20/53/1072312053.db2.gz RINFJFIHXZXHMO-MRXNPFEDSA-N 1 2 388.468 -0.233 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000472180168 530417235 /nfs/dbraw/zinc/41/72/35/530417235.db2.gz WOBJQPWXLRUSKO-STQMWFEESA-N 1 2 376.458 -0.819 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000472180168 530417233 /nfs/dbraw/zinc/41/72/33/530417233.db2.gz WOBJQPWXLRUSKO-STQMWFEESA-N 1 2 376.458 -0.819 20 0 GBADLO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000472325269 1072569545 /nfs/dbraw/zinc/56/95/45/1072569545.db2.gz HWXUALUWNASTFP-FXAWDEMLSA-N 1 2 393.484 -0.143 20 0 GBADLO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000472325285 1072569442 /nfs/dbraw/zinc/56/94/42/1072569442.db2.gz HWXUALUWNASTFP-PXNSSMCTSA-N 1 2 393.484 -0.143 20 0 GBADLO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000472325289 1072569625 /nfs/dbraw/zinc/56/96/25/1072569625.db2.gz HWXUALUWNASTFP-XLIONFOSSA-N 1 2 393.484 -0.143 20 0 GBADLO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000472325291 1072569583 /nfs/dbraw/zinc/56/95/83/1072569583.db2.gz HWXUALUWNASTFP-YLJYHZDGSA-N 1 2 393.484 -0.143 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000472430992 1072821485 /nfs/dbraw/zinc/82/14/85/1072821485.db2.gz NFIDNSISELSSBN-UHFFFAOYSA-N 1 2 379.442 -0.251 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC000472469500 530417750 /nfs/dbraw/zinc/41/77/50/530417750.db2.gz IPLPXYDSHHQWNE-UHFFFAOYSA-N 1 2 375.491 -0.245 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC000472469500 530417748 /nfs/dbraw/zinc/41/77/48/530417748.db2.gz IPLPXYDSHHQWNE-UHFFFAOYSA-N 1 2 375.491 -0.245 20 0 GBADLO CNC(=O)CC1CC[NH+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)CC1 ZINC000472486185 1072896025 /nfs/dbraw/zinc/89/60/25/1072896025.db2.gz ZZVADSHZUHXFQU-UHFFFAOYSA-N 1 2 381.433 -0.792 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCN2CCCS2(=O)=O)C1 ZINC000472488447 530417778 /nfs/dbraw/zinc/41/77/78/530417778.db2.gz QBCFAAOFTCPUJG-AWEZNQCLSA-N 1 2 375.491 -0.245 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCN2CCCS2(=O)=O)C1 ZINC000472488447 530417777 /nfs/dbraw/zinc/41/77/77/530417777.db2.gz QBCFAAOFTCPUJG-AWEZNQCLSA-N 1 2 375.491 -0.245 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCN2CCCS2(=O)=O)C1 ZINC000472488449 530417736 /nfs/dbraw/zinc/41/77/36/530417736.db2.gz QBCFAAOFTCPUJG-CQSZACIVSA-N 1 2 375.491 -0.245 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCN2CCCS2(=O)=O)C1 ZINC000472488449 530417735 /nfs/dbraw/zinc/41/77/35/530417735.db2.gz QBCFAAOFTCPUJG-CQSZACIVSA-N 1 2 375.491 -0.245 20 0 GBADLO COCCOCCOc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000472561553 1072956031 /nfs/dbraw/zinc/95/60/31/1072956031.db2.gz GBGWUTCPUBESKI-INIZCTEOSA-N 1 2 377.441 -0.129 20 0 GBADLO COCCOCCOc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000472561553 1072956023 /nfs/dbraw/zinc/95/60/23/1072956023.db2.gz GBGWUTCPUBESKI-INIZCTEOSA-N 1 2 377.441 -0.129 20 0 GBADLO COCCOCCOc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000472561554 1072957112 /nfs/dbraw/zinc/95/71/12/1072957112.db2.gz GBGWUTCPUBESKI-MRXNPFEDSA-N 1 2 377.441 -0.129 20 0 GBADLO COCCOCCOc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000472561554 1072957104 /nfs/dbraw/zinc/95/71/04/1072957104.db2.gz GBGWUTCPUBESKI-MRXNPFEDSA-N 1 2 377.441 -0.129 20 0 GBADLO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000472660809 530417652 /nfs/dbraw/zinc/41/76/52/530417652.db2.gz RZAGXPSWBZDGGS-KBPBESRZSA-N 1 2 375.470 -0.270 20 0 GBADLO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000472660809 530417651 /nfs/dbraw/zinc/41/76/51/530417651.db2.gz RZAGXPSWBZDGGS-KBPBESRZSA-N 1 2 375.470 -0.270 20 0 GBADLO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000472666343 530417720 /nfs/dbraw/zinc/41/77/20/530417720.db2.gz GDAALJLKSULTLX-KBPBESRZSA-N 1 2 375.470 -0.270 20 0 GBADLO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000472666343 530417719 /nfs/dbraw/zinc/41/77/19/530417719.db2.gz GDAALJLKSULTLX-KBPBESRZSA-N 1 2 375.470 -0.270 20 0 GBADLO CNC(=O)c1cc2cc(NC(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)ccc2[nH]1 ZINC000472682572 1073142859 /nfs/dbraw/zinc/14/28/59/1073142859.db2.gz DLHVFBOPIHLMSF-GFCCVEGCSA-N 1 2 387.440 -0.009 20 0 GBADLO CNC(=O)c1cc2cc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)ccc2[nH]1 ZINC000472693673 1073145077 /nfs/dbraw/zinc/14/50/77/1073145077.db2.gz YAIPSPKIJMSVMO-GFCCVEGCSA-N 1 2 387.440 -0.009 20 0 GBADLO CNC(=O)c1cc2cc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)ccc2[nH]1 ZINC000472693673 1073145072 /nfs/dbraw/zinc/14/50/72/1073145072.db2.gz YAIPSPKIJMSVMO-GFCCVEGCSA-N 1 2 387.440 -0.009 20 0 GBADLO CNC(=O)c1cc2cc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)ccc2[nH]1 ZINC000472693674 1073144925 /nfs/dbraw/zinc/14/49/25/1073144925.db2.gz YAIPSPKIJMSVMO-LBPRGKRZSA-N 1 2 387.440 -0.009 20 0 GBADLO CNC(=O)c1cc2cc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)ccc2[nH]1 ZINC000472693674 1073144922 /nfs/dbraw/zinc/14/49/22/1073144922.db2.gz YAIPSPKIJMSVMO-LBPRGKRZSA-N 1 2 387.440 -0.009 20 0 GBADLO O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000472694520 1073144776 /nfs/dbraw/zinc/14/47/76/1073144776.db2.gz VDIHBHCULDNNHF-UHFFFAOYSA-N 1 2 388.424 -0.195 20 0 GBADLO CC(C)Cc1ncc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000472707897 1073147651 /nfs/dbraw/zinc/14/76/51/1073147651.db2.gz LLHGRSRSVJPMDG-HNNXBMFYSA-N 1 2 379.461 -0.235 20 0 GBADLO CC(C)Cc1ncc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000472707898 1073147514 /nfs/dbraw/zinc/14/75/14/1073147514.db2.gz LLHGRSRSVJPMDG-OAHLLOKOSA-N 1 2 379.461 -0.235 20 0 GBADLO CNC(=O)c1cc2cc(NC(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)ccc2[nH]1 ZINC000472711377 1073148356 /nfs/dbraw/zinc/14/83/56/1073148356.db2.gz DLHVFBOPIHLMSF-LBPRGKRZSA-N 1 2 387.440 -0.009 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000472718994 1073149131 /nfs/dbraw/zinc/14/91/31/1073149131.db2.gz ZHVCFOGQPAVXKO-QZTJIDSGSA-N 1 2 399.451 -0.072 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000472718995 1073148784 /nfs/dbraw/zinc/14/87/84/1073148784.db2.gz ZHVCFOGQPAVXKO-ROUUACIJSA-N 1 2 399.451 -0.072 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000472733366 530418370 /nfs/dbraw/zinc/41/83/70/530418370.db2.gz HSTGTBOMVWLSDE-CABCVRRESA-N 1 2 376.523 -0.126 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000472733367 530418343 /nfs/dbraw/zinc/41/83/43/530418343.db2.gz HSTGTBOMVWLSDE-GJZGRUSLSA-N 1 2 376.523 -0.126 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000472733368 530418306 /nfs/dbraw/zinc/41/83/06/530418306.db2.gz HSTGTBOMVWLSDE-HUUCEWRRSA-N 1 2 376.523 -0.126 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000472733369 530418321 /nfs/dbraw/zinc/41/83/21/530418321.db2.gz HSTGTBOMVWLSDE-LSDHHAIUSA-N 1 2 376.523 -0.126 20 0 GBADLO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000472769475 530418146 /nfs/dbraw/zinc/41/81/46/530418146.db2.gz KQSSWYHDKWJWAI-STQMWFEESA-N 1 2 375.470 -0.270 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1nnnn1CC1CC1 ZINC000472823079 1073203290 /nfs/dbraw/zinc/20/32/90/1073203290.db2.gz CPDKIACJLRDUFC-UHFFFAOYSA-N 1 2 386.464 -0.506 20 0 GBADLO CS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1Cl ZINC000472862911 530418324 /nfs/dbraw/zinc/41/83/24/530418324.db2.gz RWFSDUWWXSPNAS-UHFFFAOYSA-N 1 2 389.861 -0.182 20 0 GBADLO COC(=O)Cn1cc(S(=O)(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cn1 ZINC000472950001 1073252376 /nfs/dbraw/zinc/25/23/76/1073252376.db2.gz HQBNVLRYMLJABH-UHFFFAOYSA-N 1 2 387.506 -0.250 20 0 GBADLO C[C@@]1(O)CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000473058941 1073345400 /nfs/dbraw/zinc/34/54/00/1073345400.db2.gz QQEYMVRNFWKVRU-GOSISDBHSA-N 1 2 379.461 -0.083 20 0 GBADLO C[C@]1(O)CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000473058946 1073345924 /nfs/dbraw/zinc/34/59/24/1073345924.db2.gz QQEYMVRNFWKVRU-SFHVURJKSA-N 1 2 379.461 -0.083 20 0 GBADLO CCOC(=O)c1nn(C)cc1CN1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000473138444 1073478173 /nfs/dbraw/zinc/47/81/73/1073478173.db2.gz JJFDVNGVXCLKLT-HNNXBMFYSA-N 1 2 393.488 -0.038 20 0 GBADLO CCOC(=O)c1nn(C)cc1CN1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000473138446 1073478218 /nfs/dbraw/zinc/47/82/18/1073478218.db2.gz JJFDVNGVXCLKLT-OAHLLOKOSA-N 1 2 393.488 -0.038 20 0 GBADLO O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000473227709 1073661083 /nfs/dbraw/zinc/66/10/83/1073661083.db2.gz SHPRUPAHGQSNED-UHFFFAOYSA-N 1 2 385.424 -0.017 20 0 GBADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000473298098 1073816360 /nfs/dbraw/zinc/81/63/60/1073816360.db2.gz BYPJLFDMSHKPCK-UHFFFAOYSA-N 1 2 375.389 -0.762 20 0 GBADLO COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000473368720 1073824941 /nfs/dbraw/zinc/82/49/41/1073824941.db2.gz AMIIAJCGBJMNBQ-QZTJIDSGSA-N 1 2 391.468 -0.257 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000473368721 1073825236 /nfs/dbraw/zinc/82/52/36/1073825236.db2.gz AMIIAJCGBJMNBQ-ROUUACIJSA-N 1 2 391.468 -0.257 20 0 GBADLO COC(=O)[C@H]1C[C@H](O)CN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000473368722 1073824905 /nfs/dbraw/zinc/82/49/05/1073824905.db2.gz AMIIAJCGBJMNBQ-ZWKOTPCHSA-N 1 2 391.468 -0.257 20 0 GBADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473414361 530418259 /nfs/dbraw/zinc/41/82/59/530418259.db2.gz SZHUNHOOFJEGDB-UHFFFAOYSA-N 1 2 388.515 -0.060 20 0 GBADLO CC(C)n1nc2c(c1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCOCC1)CCC2 ZINC000473427815 1073831087 /nfs/dbraw/zinc/83/10/87/1073831087.db2.gz LCNDQFWIBOCLNN-CYBMUJFWSA-N 1 2 379.461 -0.300 20 0 GBADLO CC(C)n1nc2c(c1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCOCC1)CCC2 ZINC000473427816 1073830874 /nfs/dbraw/zinc/83/08/74/1073830874.db2.gz LCNDQFWIBOCLNN-ZDUSSCGKSA-N 1 2 379.461 -0.300 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCn3ncnc3C2)CC1 ZINC000473440602 1073832406 /nfs/dbraw/zinc/83/24/06/1073832406.db2.gz IGTXBDPRNPWONE-UHFFFAOYSA-N 1 2 382.432 -0.881 20 0 GBADLO C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000473518975 1073943389 /nfs/dbraw/zinc/94/33/89/1073943389.db2.gz GBQFUAYNVYDOTJ-AWEZNQCLSA-N 1 2 397.501 -0.358 20 0 GBADLO C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000473518975 1073943384 /nfs/dbraw/zinc/94/33/84/1073943384.db2.gz GBQFUAYNVYDOTJ-AWEZNQCLSA-N 1 2 397.501 -0.358 20 0 GBADLO C[C@H](CS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000473518987 1073943187 /nfs/dbraw/zinc/94/31/87/1073943187.db2.gz GBQFUAYNVYDOTJ-CQSZACIVSA-N 1 2 397.501 -0.358 20 0 GBADLO C[C@H](CS(C)(=O)=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000473518987 1073943177 /nfs/dbraw/zinc/94/31/77/1073943177.db2.gz GBQFUAYNVYDOTJ-CQSZACIVSA-N 1 2 397.501 -0.358 20 0 GBADLO O=C(NCc1ccccc1OCCO)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000473532500 1073979904 /nfs/dbraw/zinc/97/99/04/1073979904.db2.gz MZGWLAKTSDCNNO-KRWDZBQOSA-N 1 2 391.468 -0.145 20 0 GBADLO O=C(NCc1ccccc1OCCO)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000473532504 1073980019 /nfs/dbraw/zinc/98/00/19/1073980019.db2.gz MZGWLAKTSDCNNO-QGZVFWFLSA-N 1 2 391.468 -0.145 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000473545487 1072327320 /nfs/dbraw/zinc/32/73/20/1072327320.db2.gz DONWLDLONLFJDR-INIZCTEOSA-N 1 2 390.550 -0.479 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000473545489 1072327191 /nfs/dbraw/zinc/32/71/91/1072327191.db2.gz DONWLDLONLFJDR-MRXNPFEDSA-N 1 2 390.550 -0.479 20 0 GBADLO CCOC(=O)C1(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000473610331 1072991734 /nfs/dbraw/zinc/99/17/34/1072991734.db2.gz ZCLDUVRKYCDXGH-UHFFFAOYSA-N 1 2 393.444 -0.387 20 0 GBADLO O=C(NCC1(CO)CCCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000473611980 1072993288 /nfs/dbraw/zinc/99/32/88/1072993288.db2.gz PIPBGUJZNOQCOI-UHFFFAOYSA-N 1 2 379.461 -0.177 20 0 GBADLO O=C(NCC1(CO)CCCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000473612518 1073002597 /nfs/dbraw/zinc/00/25/97/1073002597.db2.gz TWMXVXGKUXPREO-UHFFFAOYSA-N 1 2 379.461 -0.177 20 0 GBADLO O[C@@H]1CC[C@@H](CNc2nc(N3CCOCC3)nc(NC[C@H]3CC[C@@H](O)C3)[nH+]2)C1 ZINC000473705158 1073024477 /nfs/dbraw/zinc/02/44/77/1073024477.db2.gz JGGGEOAMZSEOSJ-QKPAOTATSA-N 1 2 392.504 -0.302 20 0 GBADLO O[C@@H]1CC[C@H](CNc2nc(N3CCOCC3)nc(NC[C@@H]3CC[C@H](O)C3)[nH+]2)C1 ZINC000473705159 1073024042 /nfs/dbraw/zinc/02/40/42/1073024042.db2.gz JGGGEOAMZSEOSJ-SYMSYNOKSA-N 1 2 392.504 -0.302 20 0 GBADLO O[C@@H]1CC[C@H](CNc2nc(N3CCOCC3)nc(NC[C@H]3CC[C@H](O)C3)[nH+]2)C1 ZINC000473705160 1073024601 /nfs/dbraw/zinc/02/46/01/1073024601.db2.gz JGGGEOAMZSEOSJ-YHUYYLMFSA-N 1 2 392.504 -0.302 20 0 GBADLO O=C(NCc1nnnn1CC1CC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000473713518 1073025246 /nfs/dbraw/zinc/02/52/46/1073025246.db2.gz OVAWAJCVYRMSFD-UHFFFAOYSA-N 1 2 375.437 -0.067 20 0 GBADLO C[C@@H](CS(C)(=O)=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000473729118 1073025525 /nfs/dbraw/zinc/02/55/25/1073025525.db2.gz QIFHHEIJGBDISP-AWEZNQCLSA-N 1 2 382.486 -0.083 20 0 GBADLO C[C@H](CS(C)(=O)=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000473729119 1073025370 /nfs/dbraw/zinc/02/53/70/1073025370.db2.gz QIFHHEIJGBDISP-CQSZACIVSA-N 1 2 382.486 -0.083 20 0 GBADLO CN(C)C(=O)COC1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000473805545 1073033541 /nfs/dbraw/zinc/03/35/41/1073033541.db2.gz GOOZHWSXQUCBAS-UHFFFAOYSA-N 1 2 380.449 -0.464 20 0 GBADLO NC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000473870603 1073079088 /nfs/dbraw/zinc/07/90/88/1073079088.db2.gz YKCXVTJKCUCEBD-AWEZNQCLSA-N 1 2 389.460 -0.495 20 0 GBADLO NC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000473870603 1073079079 /nfs/dbraw/zinc/07/90/79/1073079079.db2.gz YKCXVTJKCUCEBD-AWEZNQCLSA-N 1 2 389.460 -0.495 20 0 GBADLO C[C@H](CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)Cn1cc[nH+]c1 ZINC000473884081 1073080005 /nfs/dbraw/zinc/08/00/05/1073080005.db2.gz ZDXBUXIEUMJCRW-LLVKDONJSA-N 1 2 393.425 -0.109 20 0 GBADLO C[C@@H](CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)Cn1cc[nH+]c1 ZINC000473884082 1073079546 /nfs/dbraw/zinc/07/95/46/1073079546.db2.gz ZDXBUXIEUMJCRW-NSHDSACASA-N 1 2 393.425 -0.109 20 0 GBADLO CN(C)C(=O)CCN1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000473963039 1073130496 /nfs/dbraw/zinc/13/04/96/1073130496.db2.gz BZMNMMFDGUYJTM-UHFFFAOYSA-N 1 2 396.536 -0.656 20 0 GBADLO O=C(CCn1nc2ccccn2c1=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000473969039 1073130199 /nfs/dbraw/zinc/13/01/99/1073130199.db2.gz UXMQVLWMTQXATE-INIZCTEOSA-N 1 2 389.456 -0.164 20 0 GBADLO O=C(CCn1nc2ccccn2c1=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473969040 1073129987 /nfs/dbraw/zinc/12/99/87/1073129987.db2.gz UXMQVLWMTQXATE-MRXNPFEDSA-N 1 2 389.456 -0.164 20 0 GBADLO Cn1ncc2c1ncn(CC(=O)N1CC[C@H](OCC[NH+]3CCOCC3)C1)c2=O ZINC000473994175 1073179877 /nfs/dbraw/zinc/17/98/77/1073179877.db2.gz JCHUTEQATFFQDP-AWEZNQCLSA-N 1 2 390.444 -0.920 20 0 GBADLO Cn1ncc2c1ncn(CC(=O)N1CC[C@@H](OCC[NH+]3CCOCC3)C1)c2=O ZINC000473994176 1073179589 /nfs/dbraw/zinc/17/95/89/1073179589.db2.gz JCHUTEQATFFQDP-CQSZACIVSA-N 1 2 390.444 -0.920 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)o1 ZINC000473997393 1073184339 /nfs/dbraw/zinc/18/43/39/1073184339.db2.gz WNXXUMYEWVNVHG-CYBMUJFWSA-N 1 2 387.458 -0.249 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)o1 ZINC000473997394 1073184497 /nfs/dbraw/zinc/18/44/97/1073184497.db2.gz WNXXUMYEWVNVHG-ZDUSSCGKSA-N 1 2 387.458 -0.249 20 0 GBADLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)NCCNS(C)(=O)=O)CC2)no1 ZINC000474011229 1073198222 /nfs/dbraw/zinc/19/82/22/1073198222.db2.gz LZBCPDZQCZOFHR-CYBMUJFWSA-N 1 2 388.494 -0.077 20 0 GBADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)NCCNS(C)(=O)=O)CC2)no1 ZINC000474011229 1073198216 /nfs/dbraw/zinc/19/82/16/1073198216.db2.gz LZBCPDZQCZOFHR-CYBMUJFWSA-N 1 2 388.494 -0.077 20 0 GBADLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)NCCNS(C)(=O)=O)CC2)no1 ZINC000474011230 1073198573 /nfs/dbraw/zinc/19/85/73/1073198573.db2.gz LZBCPDZQCZOFHR-ZDUSSCGKSA-N 1 2 388.494 -0.077 20 0 GBADLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)NCCNS(C)(=O)=O)CC2)no1 ZINC000474011230 1073198566 /nfs/dbraw/zinc/19/85/66/1073198566.db2.gz LZBCPDZQCZOFHR-ZDUSSCGKSA-N 1 2 388.494 -0.077 20 0 GBADLO NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cs1 ZINC000474078897 530418826 /nfs/dbraw/zinc/41/88/26/530418826.db2.gz HMEGTBFHAQTLDY-CYBMUJFWSA-N 1 2 389.499 -0.041 20 0 GBADLO NS(=O)(=O)c1cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cs1 ZINC000474078898 530419099 /nfs/dbraw/zinc/41/90/99/530419099.db2.gz HMEGTBFHAQTLDY-ZDUSSCGKSA-N 1 2 389.499 -0.041 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCc2nnnn2CC2CC2)CC1 ZINC000474080286 1073301723 /nfs/dbraw/zinc/30/17/23/1073301723.db2.gz FXMABESRYUNHFY-UHFFFAOYSA-N 1 2 397.447 -0.208 20 0 GBADLO Cc1oc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC000474090309 1073307903 /nfs/dbraw/zinc/30/79/03/1073307903.db2.gz WXMQCOVPXKMGSB-CYBMUJFWSA-N 1 2 387.458 -0.201 20 0 GBADLO Cc1oc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC000474090310 1073307986 /nfs/dbraw/zinc/30/79/86/1073307986.db2.gz WXMQCOVPXKMGSB-ZDUSSCGKSA-N 1 2 387.458 -0.201 20 0 GBADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000474106655 1073312297 /nfs/dbraw/zinc/31/22/97/1073312297.db2.gz QKKRNBKCAQRMPD-CYBMUJFWSA-N 1 2 391.490 -0.315 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000474106661 1073312403 /nfs/dbraw/zinc/31/24/03/1073312403.db2.gz QKKRNBKCAQRMPD-ZDUSSCGKSA-N 1 2 391.490 -0.315 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000474155149 1073318299 /nfs/dbraw/zinc/31/82/99/1073318299.db2.gz VTPSNDCWOQUWMT-UHFFFAOYSA-N 1 2 394.457 -0.229 20 0 GBADLO COC(=O)[C@@H](C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000474164990 1073319886 /nfs/dbraw/zinc/31/98/86/1073319886.db2.gz QVSASZVRYSPPAK-AWEZNQCLSA-N 1 2 398.485 -0.151 20 0 GBADLO COC(=O)[C@H](C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000474164991 1073320211 /nfs/dbraw/zinc/32/02/11/1073320211.db2.gz QVSASZVRYSPPAK-CQSZACIVSA-N 1 2 398.485 -0.151 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)cn1 ZINC000474201723 1073321575 /nfs/dbraw/zinc/32/15/75/1073321575.db2.gz PFWTXRWUDJLSGQ-GFCCVEGCSA-N 1 2 384.458 -0.301 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)cn1 ZINC000474201723 1073321569 /nfs/dbraw/zinc/32/15/69/1073321569.db2.gz PFWTXRWUDJLSGQ-GFCCVEGCSA-N 1 2 384.458 -0.301 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)cn1 ZINC000474201727 1073321793 /nfs/dbraw/zinc/32/17/93/1073321793.db2.gz PFWTXRWUDJLSGQ-LBPRGKRZSA-N 1 2 384.458 -0.301 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)cn1 ZINC000474201727 1073321784 /nfs/dbraw/zinc/32/17/84/1073321784.db2.gz PFWTXRWUDJLSGQ-LBPRGKRZSA-N 1 2 384.458 -0.301 20 0 GBADLO CCOC(=O)[C@H](C)N(C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000474263665 1073323367 /nfs/dbraw/zinc/32/33/67/1073323367.db2.gz DJIAJWJRMSNYHK-ZDUSSCGKSA-N 1 2 389.460 -0.105 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000474269582 1073324015 /nfs/dbraw/zinc/32/40/15/1073324015.db2.gz WEMJWYDQBIZKAW-HNNXBMFYSA-N 1 2 398.485 -0.447 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000474269584 1073324132 /nfs/dbraw/zinc/32/41/32/1073324132.db2.gz WEMJWYDQBIZKAW-OAHLLOKOSA-N 1 2 398.485 -0.447 20 0 GBADLO CCCN1C(=O)CC[C@@H](C(=O)NCC(=O)NCCOC)[C@@H]1c1c[nH+]cn1C ZINC000474428502 1073328345 /nfs/dbraw/zinc/32/83/45/1073328345.db2.gz UIKZNLJUNFGMJR-CXAGYDPISA-N 1 2 379.461 -0.011 20 0 GBADLO COC(=O)c1cn(CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)nn1 ZINC000474497108 1073329826 /nfs/dbraw/zinc/32/98/26/1073329826.db2.gz OCKWJSXDQBBEGQ-UHFFFAOYSA-N 1 2 386.412 -0.492 20 0 GBADLO CCCN1C(=O)CC[C@@H](C(=O)NCCNS(C)(=O)=O)[C@@H]1c1c[nH+]cn1C ZINC000474581655 1073332998 /nfs/dbraw/zinc/33/29/98/1073332998.db2.gz SBVDMFBTEQOXSS-IUODEOHRSA-N 1 2 385.490 -0.225 20 0 GBADLO CNS(=O)(=O)CCNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000474679311 1073338079 /nfs/dbraw/zinc/33/80/79/1073338079.db2.gz VTINVODCBQPELI-CYBMUJFWSA-N 1 2 388.494 -0.077 20 0 GBADLO CNS(=O)(=O)CCNC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000474679311 1073338067 /nfs/dbraw/zinc/33/80/67/1073338067.db2.gz VTINVODCBQPELI-CYBMUJFWSA-N 1 2 388.494 -0.077 20 0 GBADLO CNS(=O)(=O)CCNC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000474679313 1073338361 /nfs/dbraw/zinc/33/83/61/1073338361.db2.gz VTINVODCBQPELI-ZDUSSCGKSA-N 1 2 388.494 -0.077 20 0 GBADLO CNS(=O)(=O)CCNC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000474679313 1073338352 /nfs/dbraw/zinc/33/83/52/1073338352.db2.gz VTINVODCBQPELI-ZDUSSCGKSA-N 1 2 388.494 -0.077 20 0 GBADLO COCCC(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000474714434 1073339700 /nfs/dbraw/zinc/33/97/00/1073339700.db2.gz ZTINREUDKYVSID-UHFFFAOYSA-N 1 2 394.476 -0.072 20 0 GBADLO COCCC(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000474718949 1073339929 /nfs/dbraw/zinc/33/99/29/1073339929.db2.gz ZVSKOCDKFWFTBD-UHFFFAOYSA-N 1 2 394.476 -0.072 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC2(S(C)(=O)=O)CC2)CC1 ZINC000474844988 1073350843 /nfs/dbraw/zinc/35/08/43/1073350843.db2.gz IDWNOJFRHYBUDU-UHFFFAOYSA-N 1 2 393.473 -0.228 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000474958685 1073366834 /nfs/dbraw/zinc/36/68/34/1073366834.db2.gz BFQPVWZLUNCGRC-UHFFFAOYSA-N 1 2 396.473 -0.021 20 0 GBADLO C[C@@H](O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000475034033 530419798 /nfs/dbraw/zinc/41/97/98/530419798.db2.gz LZUXLVOGHHPXMS-CYBMUJFWSA-N 1 2 391.515 -0.199 20 0 GBADLO C[C@H](O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000475034034 530419856 /nfs/dbraw/zinc/41/98/56/530419856.db2.gz LZUXLVOGHHPXMS-ZDUSSCGKSA-N 1 2 391.515 -0.199 20 0 GBADLO COCCN1CCN(C(=O)C2(C(=O)N3CC[NH+](CCOC)CC3)CCC2)CC1 ZINC000475046806 1073400750 /nfs/dbraw/zinc/40/07/50/1073400750.db2.gz KGUPVQGGEWFMKG-UHFFFAOYSA-N 1 2 396.532 -0.262 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCC(=O)N2Cc3ccccc3C2)CCO1 ZINC000475060463 1073467272 /nfs/dbraw/zinc/46/72/72/1073467272.db2.gz DCIBSTIFYJGQKD-INIZCTEOSA-N 1 2 389.456 -0.644 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCC(=O)N2Cc3ccccc3C2)CCO1 ZINC000475060463 1073467268 /nfs/dbraw/zinc/46/72/68/1073467268.db2.gz DCIBSTIFYJGQKD-INIZCTEOSA-N 1 2 389.456 -0.644 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCC(=O)N2Cc3ccccc3C2)CCO1 ZINC000475060469 1073466978 /nfs/dbraw/zinc/46/69/78/1073466978.db2.gz DCIBSTIFYJGQKD-MRXNPFEDSA-N 1 2 389.456 -0.644 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCC(=O)N2Cc3ccccc3C2)CCO1 ZINC000475060469 1073466975 /nfs/dbraw/zinc/46/69/75/1073466975.db2.gz DCIBSTIFYJGQKD-MRXNPFEDSA-N 1 2 389.456 -0.644 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC(=O)N1Cc2ccccc2C1 ZINC000475075530 1073474189 /nfs/dbraw/zinc/47/41/89/1073474189.db2.gz LWMNCYGGKATOIB-KRWDZBQOSA-N 1 2 376.457 -0.137 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC(=O)N1Cc2ccccc2C1 ZINC000475075531 1073474080 /nfs/dbraw/zinc/47/40/80/1073474080.db2.gz LWMNCYGGKATOIB-QGZVFWFLSA-N 1 2 376.457 -0.137 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCO1 ZINC000475090726 1073474324 /nfs/dbraw/zinc/47/43/24/1073474324.db2.gz HGOPMTUTRFSADP-UHFFFAOYSA-N 1 2 397.520 -0.717 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCO1 ZINC000475090726 1073474323 /nfs/dbraw/zinc/47/43/23/1073474323.db2.gz HGOPMTUTRFSADP-UHFFFAOYSA-N 1 2 397.520 -0.717 20 0 GBADLO O=C(CN1CCN2C(=O)N=NC2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000475102202 1073475594 /nfs/dbraw/zinc/47/55/94/1073475594.db2.gz RYTNNPJUWAKEHR-UHFFFAOYSA-N 1 2 386.456 -0.052 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@]1(CCO)CCOC1 ZINC000475140387 1073476593 /nfs/dbraw/zinc/47/65/93/1073476593.db2.gz QHWLSIFXHYLUEK-GOSISDBHSA-N 1 2 378.477 -0.313 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@]1(CCO)CCOC1 ZINC000475140388 1073476463 /nfs/dbraw/zinc/47/64/63/1073476463.db2.gz QHWLSIFXHYLUEK-SFHVURJKSA-N 1 2 378.477 -0.313 20 0 GBADLO O=C(NCCOC(F)(F)F)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475175177 1073478563 /nfs/dbraw/zinc/47/85/63/1073478563.db2.gz PKDHAHGPFFKWLJ-UHFFFAOYSA-N 1 2 379.339 -0.194 20 0 GBADLO O=C(NCCOC(F)(F)F)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000475181087 1073478487 /nfs/dbraw/zinc/47/84/87/1073478487.db2.gz AUPRFZHFHBHLQM-UHFFFAOYSA-N 1 2 379.339 -0.194 20 0 GBADLO O=C(N[C@@H]1CC[S@](=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000475271895 1073488145 /nfs/dbraw/zinc/48/81/45/1073488145.db2.gz AELOZWZGPNPBHG-ASHKIFAZSA-N 1 2 394.501 -0.334 20 0 GBADLO O=C(N[C@@H]1CC[S@](=O)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000475271895 1073488144 /nfs/dbraw/zinc/48/81/44/1073488144.db2.gz AELOZWZGPNPBHG-ASHKIFAZSA-N 1 2 394.501 -0.334 20 0 GBADLO O=C(N[C@@H]1CC[S@@](=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000475271897 1073488171 /nfs/dbraw/zinc/48/81/71/1073488171.db2.gz AELOZWZGPNPBHG-LOKFHWFJSA-N 1 2 394.501 -0.334 20 0 GBADLO O=C(N[C@@H]1CC[S@@](=O)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000475271897 1073488168 /nfs/dbraw/zinc/48/81/68/1073488168.db2.gz AELOZWZGPNPBHG-LOKFHWFJSA-N 1 2 394.501 -0.334 20 0 GBADLO O=C(N[C@H]1CC[S@@](=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000475271898 1073487903 /nfs/dbraw/zinc/48/79/03/1073487903.db2.gz AELOZWZGPNPBHG-PGGUUEOZSA-N 1 2 394.501 -0.334 20 0 GBADLO O=C(N[C@H]1CC[S@@](=O)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000475271898 1073487896 /nfs/dbraw/zinc/48/78/96/1073487896.db2.gz AELOZWZGPNPBHG-PGGUUEOZSA-N 1 2 394.501 -0.334 20 0 GBADLO O=C(N[C@H]1CC[S@](=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000475271899 1073487968 /nfs/dbraw/zinc/48/79/68/1073487968.db2.gz AELOZWZGPNPBHG-PWFNWSNSSA-N 1 2 394.501 -0.334 20 0 GBADLO O=C(N[C@H]1CC[S@](=O)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000475271899 1073487964 /nfs/dbraw/zinc/48/79/64/1073487964.db2.gz AELOZWZGPNPBHG-PWFNWSNSSA-N 1 2 394.501 -0.334 20 0 GBADLO COc1nn(C)cc1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000475391757 1073490974 /nfs/dbraw/zinc/49/09/74/1073490974.db2.gz GVDGUHDHBJAZAX-UHFFFAOYSA-N 1 2 392.460 -0.476 20 0 GBADLO COc1nn(C)cc1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000475391757 1073490969 /nfs/dbraw/zinc/49/09/69/1073490969.db2.gz GVDGUHDHBJAZAX-UHFFFAOYSA-N 1 2 392.460 -0.476 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cn(C)nc2OC)CC1 ZINC000475396625 1073491836 /nfs/dbraw/zinc/49/18/36/1073491836.db2.gz POLMUNMPXGIYLT-UHFFFAOYSA-N 1 2 394.476 -0.230 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cn(C)nc2OC)CC1 ZINC000475396625 1073491831 /nfs/dbraw/zinc/49/18/31/1073491831.db2.gz POLMUNMPXGIYLT-UHFFFAOYSA-N 1 2 394.476 -0.230 20 0 GBADLO COc1nn(C)cc1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000475405611 1073491864 /nfs/dbraw/zinc/49/18/64/1073491864.db2.gz XTNQNLKHUAXIIB-UHFFFAOYSA-N 1 2 399.415 -0.607 20 0 GBADLO O=S(=O)(CCNS(=O)(=O)NC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000475530097 530420085 /nfs/dbraw/zinc/42/00/85/530420085.db2.gz JYKAJEMIWOFZJB-UHFFFAOYSA-N 1 2 389.503 -0.880 20 0 GBADLO CCCS(=O)(=O)NC1CC[NH+](CCNS(=O)(=O)CCCOC)CC1 ZINC000475538924 530420128 /nfs/dbraw/zinc/42/01/28/530420128.db2.gz VIDJIDVTYGNAIZ-UHFFFAOYSA-N 1 2 385.552 -0.264 20 0 GBADLO CS(=O)(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000475569000 1073519001 /nfs/dbraw/zinc/51/90/01/1073519001.db2.gz CBNVLOZYLIATDP-UHFFFAOYSA-N 1 2 386.478 -0.676 20 0 GBADLO O=C(NCCCN1C(=O)CNC1=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475571945 1073519876 /nfs/dbraw/zinc/51/98/76/1073519876.db2.gz HVHJFDDMAFNCIE-UHFFFAOYSA-N 1 2 379.421 -0.721 20 0 GBADLO COCCCS(=O)(=O)NCCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000475634244 1073583275 /nfs/dbraw/zinc/58/32/75/1073583275.db2.gz LMXMKLWEEAHDLX-UHFFFAOYSA-N 1 2 390.550 -0.428 20 0 GBADLO COCCCS(=O)(=O)NCCN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000475635098 530420260 /nfs/dbraw/zinc/42/02/60/530420260.db2.gz MJUITSIJSSHHGY-AWEZNQCLSA-N 1 2 376.523 -0.773 20 0 GBADLO COCCCS(=O)(=O)NCCN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000475635101 530420257 /nfs/dbraw/zinc/42/02/57/530420257.db2.gz MJUITSIJSSHHGY-CQSZACIVSA-N 1 2 376.523 -0.773 20 0 GBADLO COCCCS(=O)(=O)NCCN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000475635979 530420252 /nfs/dbraw/zinc/42/02/52/530420252.db2.gz DUPKVKBAXKXYPE-UHFFFAOYSA-N 1 2 376.523 -0.818 20 0 GBADLO COCCC(=O)N1CCN(C/C=C\C[NH+]2CCN(C(=O)CCOC)CC2)CC1 ZINC000475666240 1073750063 /nfs/dbraw/zinc/75/00/63/1073750063.db2.gz HWENAQSRSSAVIL-ARJAWSKDSA-N 1 2 396.532 -0.096 20 0 GBADLO COCCC(=O)N1CCN(C/C=C/C[NH+]2CCN(C(=O)CCOC)CC2)CC1 ZINC000475666241 1073750090 /nfs/dbraw/zinc/75/00/90/1073750090.db2.gz HWENAQSRSSAVIL-ONEGZZNKSA-N 1 2 396.532 -0.096 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC000475677159 1073800915 /nfs/dbraw/zinc/80/09/15/1073800915.db2.gz FAJNZRXVGIXHLV-UHFFFAOYSA-N 1 2 379.417 -0.692 20 0 GBADLO COCCC(=O)N1CC[NH+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000475690349 1073839016 /nfs/dbraw/zinc/83/90/16/1073839016.db2.gz KJSGCWAVLJEANN-AWEZNQCLSA-N 1 2 375.425 -0.176 20 0 GBADLO COCCC(=O)N1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000475690358 1073838844 /nfs/dbraw/zinc/83/88/44/1073838844.db2.gz KJSGCWAVLJEANN-CQSZACIVSA-N 1 2 375.425 -0.176 20 0 GBADLO CCNC(=O)CN1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000475694748 1073838620 /nfs/dbraw/zinc/83/86/20/1073838620.db2.gz OWHDUXJIYDQCFS-UHFFFAOYSA-N 1 2 393.492 -0.499 20 0 GBADLO O=C(NCCNC(=O)c1cnccn1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475705258 1073857319 /nfs/dbraw/zinc/85/73/19/1073857319.db2.gz JWGWPTJWQBCHKU-UHFFFAOYSA-N 1 2 388.432 -0.443 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCC[C@@H](CC(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000475722129 530420603 /nfs/dbraw/zinc/42/06/03/530420603.db2.gz IWYNBOGQSSYGQY-KBPBESRZSA-N 1 2 375.491 -0.764 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000475722129 530420601 /nfs/dbraw/zinc/42/06/01/530420601.db2.gz IWYNBOGQSSYGQY-KBPBESRZSA-N 1 2 375.491 -0.764 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000475722134 530420458 /nfs/dbraw/zinc/42/04/58/530420458.db2.gz IWYNBOGQSSYGQY-KGLIPLIRSA-N 1 2 375.491 -0.764 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000475722134 530420456 /nfs/dbraw/zinc/42/04/56/530420456.db2.gz IWYNBOGQSSYGQY-KGLIPLIRSA-N 1 2 375.491 -0.764 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCC[C@@H](CC(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000475722137 530420362 /nfs/dbraw/zinc/42/03/62/530420362.db2.gz IWYNBOGQSSYGQY-UONOGXRCSA-N 1 2 375.491 -0.764 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000475722137 530420358 /nfs/dbraw/zinc/42/03/58/530420358.db2.gz IWYNBOGQSSYGQY-UONOGXRCSA-N 1 2 375.491 -0.764 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000475722141 530420653 /nfs/dbraw/zinc/42/06/53/530420653.db2.gz IWYNBOGQSSYGQY-ZIAGYGMSSA-N 1 2 375.491 -0.764 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000475722141 530420652 /nfs/dbraw/zinc/42/06/52/530420652.db2.gz IWYNBOGQSSYGQY-ZIAGYGMSSA-N 1 2 375.491 -0.764 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000475738152 530420469 /nfs/dbraw/zinc/42/04/69/530420469.db2.gz IKODEKAXOLHXSM-UHFFFAOYSA-N 1 2 377.507 -0.392 20 0 GBADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000475739205 530420571 /nfs/dbraw/zinc/42/05/71/530420571.db2.gz UCAOHNUJCSBGJY-UHFFFAOYSA-N 1 2 379.479 -0.962 20 0 GBADLO COC(=O)CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000475740309 1073864305 /nfs/dbraw/zinc/86/43/05/1073864305.db2.gz ZWYXQUQSEKGZPB-UHFFFAOYSA-N 1 2 393.506 -0.620 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000475740698 530420499 /nfs/dbraw/zinc/42/04/99/530420499.db2.gz UIRSXYARQXSWMH-INIZCTEOSA-N 1 2 379.523 -0.948 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000475740699 530420636 /nfs/dbraw/zinc/42/06/36/530420636.db2.gz UIRSXYARQXSWMH-MRXNPFEDSA-N 1 2 379.523 -0.948 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000475745666 530420606 /nfs/dbraw/zinc/42/06/06/530420606.db2.gz GOTATDYJPIWJDH-UHFFFAOYSA-N 1 2 376.479 -0.699 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000475746671 530420625 /nfs/dbraw/zinc/42/06/25/530420625.db2.gz ISKQNWQVAVUQID-UHFFFAOYSA-N 1 2 385.552 -0.360 20 0 GBADLO CO[C@H](C)c1noc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000475753816 1073870683 /nfs/dbraw/zinc/87/06/83/1073870683.db2.gz SWMQZACZJSYOFJ-CYBMUJFWSA-N 1 2 388.494 -0.613 20 0 GBADLO CO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000475753817 1073870496 /nfs/dbraw/zinc/87/04/96/1073870496.db2.gz SWMQZACZJSYOFJ-ZDUSSCGKSA-N 1 2 388.494 -0.613 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000475802612 1073888999 /nfs/dbraw/zinc/88/89/99/1073888999.db2.gz BNNVAPXCMSJBPP-UHFFFAOYSA-N 1 2 381.458 -0.215 20 0 GBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccn3cc[nH+]c3c2)c[nH]1 ZINC000475804324 1073890263 /nfs/dbraw/zinc/89/02/63/1073890263.db2.gz BEDADXPMWWOBQU-UHFFFAOYSA-N 1 2 376.398 -0.644 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000475814307 530420424 /nfs/dbraw/zinc/42/04/24/530420424.db2.gz WEWBZCDMBXHFJB-UHFFFAOYSA-N 1 2 391.515 -0.096 20 0 GBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)o1 ZINC000475820644 1073892471 /nfs/dbraw/zinc/89/24/71/1073892471.db2.gz XYJMXKVBGRAXMW-UHFFFAOYSA-N 1 2 377.382 -0.379 20 0 GBADLO O=S(=O)(NC1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000475822414 1073894632 /nfs/dbraw/zinc/89/46/32/1073894632.db2.gz UGKOWEPHZSAUCG-AWEZNQCLSA-N 1 2 382.490 -0.132 20 0 GBADLO O=S(=O)(NC1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000475822414 1073894631 /nfs/dbraw/zinc/89/46/31/1073894631.db2.gz UGKOWEPHZSAUCG-AWEZNQCLSA-N 1 2 382.490 -0.132 20 0 GBADLO O=S(=O)(NC1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000475822415 1073894532 /nfs/dbraw/zinc/89/45/32/1073894532.db2.gz UGKOWEPHZSAUCG-CQSZACIVSA-N 1 2 382.490 -0.132 20 0 GBADLO O=S(=O)(NC1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000475822415 1073894530 /nfs/dbraw/zinc/89/45/30/1073894530.db2.gz UGKOWEPHZSAUCG-CQSZACIVSA-N 1 2 382.490 -0.132 20 0 GBADLO CN(CCCNC(=O)C[S@@](=O)Cc1cn2ccccc2[nH+]1)S(C)(=O)=O ZINC000476020802 530420925 /nfs/dbraw/zinc/42/09/25/530420925.db2.gz OOCOVXMZPXTGAL-DEOSSOPVSA-N 1 2 386.499 -0.019 20 0 GBADLO CN(CCCNC(=O)C[S@](=O)Cc1cn2ccccc2[nH+]1)S(C)(=O)=O ZINC000476020806 530420977 /nfs/dbraw/zinc/42/09/77/530420977.db2.gz OOCOVXMZPXTGAL-XMMPIXPASA-N 1 2 386.499 -0.019 20 0 GBADLO C[C@@](O)(CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000476300759 530420902 /nfs/dbraw/zinc/42/09/02/530420902.db2.gz BICVRZUROUAYNV-GFCCVEGCSA-N 1 2 386.396 -0.193 20 0 GBADLO C[C@](O)(CNS(=O)(=O)c1cnn(CC(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000476300760 530421006 /nfs/dbraw/zinc/42/10/06/530421006.db2.gz BICVRZUROUAYNV-LBPRGKRZSA-N 1 2 386.396 -0.193 20 0 GBADLO COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000476312338 530421021 /nfs/dbraw/zinc/42/10/21/530421021.db2.gz YWLKVIGKOABPTN-FMKPAKJESA-N 1 2 378.491 -0.279 20 0 GBADLO COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000476312346 530420940 /nfs/dbraw/zinc/42/09/40/530420940.db2.gz YWLKVIGKOABPTN-IIAWOOMASA-N 1 2 378.491 -0.279 20 0 GBADLO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000476312347 530420845 /nfs/dbraw/zinc/42/08/45/530420845.db2.gz YWLKVIGKOABPTN-IJEWVQPXSA-N 1 2 378.491 -0.279 20 0 GBADLO COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000476312350 530421141 /nfs/dbraw/zinc/42/11/41/530421141.db2.gz YWLKVIGKOABPTN-YCPHGPKFSA-N 1 2 378.491 -0.279 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCCN(C(N)=O)CC1)S(C)(=O)=O ZINC000476597376 530421153 /nfs/dbraw/zinc/42/11/53/530421153.db2.gz GPMQFAGTAQAODR-UHFFFAOYSA-N 1 2 377.511 -0.751 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCCN(C(N)=O)CC1)S(C)(=O)=O ZINC000476597376 530421151 /nfs/dbraw/zinc/42/11/51/530421151.db2.gz GPMQFAGTAQAODR-UHFFFAOYSA-N 1 2 377.511 -0.751 20 0 GBADLO CCN(C1CC[NH+](CCNS(=O)(=O)CCCOC)CC1)S(C)(=O)=O ZINC000476802315 530421725 /nfs/dbraw/zinc/42/17/25/530421725.db2.gz FOHWSBYDDOQQAI-UHFFFAOYSA-N 1 2 385.552 -0.312 20 0 GBADLO CCS(=O)(=O)N(C)C1CC[NH+](CCNS(=O)(=O)CCCOC)CC1 ZINC000476808292 530421698 /nfs/dbraw/zinc/42/16/98/530421698.db2.gz QNXABOUKSBLIAK-UHFFFAOYSA-N 1 2 385.552 -0.312 20 0 GBADLO COCc1nnc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000477026224 530421957 /nfs/dbraw/zinc/42/19/57/530421957.db2.gz VSHHNSGENLFLDV-UHFFFAOYSA-N 1 2 376.508 -0.701 20 0 GBADLO CC(=O)N1CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H](C)C1 ZINC000477278219 530422862 /nfs/dbraw/zinc/42/28/62/530422862.db2.gz LPZLZGRKQJOECX-AWEZNQCLSA-N 1 2 376.523 -0.285 20 0 GBADLO CC(=O)N1CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H](C)C1 ZINC000477278219 530422860 /nfs/dbraw/zinc/42/28/60/530422860.db2.gz LPZLZGRKQJOECX-AWEZNQCLSA-N 1 2 376.523 -0.285 20 0 GBADLO CC(=O)N1CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H](C)C1 ZINC000477278220 530422671 /nfs/dbraw/zinc/42/26/71/530422671.db2.gz LPZLZGRKQJOECX-CQSZACIVSA-N 1 2 376.523 -0.285 20 0 GBADLO CC(=O)N1CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H](C)C1 ZINC000477278220 530422668 /nfs/dbraw/zinc/42/26/68/530422668.db2.gz LPZLZGRKQJOECX-CQSZACIVSA-N 1 2 376.523 -0.285 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000477395075 530422559 /nfs/dbraw/zinc/42/25/59/530422559.db2.gz UAOUANICUPKANL-GFCCVEGCSA-N 1 2 394.563 -0.545 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000477395084 530422694 /nfs/dbraw/zinc/42/26/94/530422694.db2.gz UAOUANICUPKANL-LBPRGKRZSA-N 1 2 394.563 -0.545 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000477468535 530422679 /nfs/dbraw/zinc/42/26/79/530422679.db2.gz RRYKIAHAYWYYDH-UHFFFAOYSA-N 1 2 399.579 -0.112 20 0 GBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000477496402 530423032 /nfs/dbraw/zinc/42/30/32/530423032.db2.gz WPRBCCCSAXOPDX-CYBMUJFWSA-N 1 2 399.535 -0.833 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000477496402 530423030 /nfs/dbraw/zinc/42/30/30/530423030.db2.gz WPRBCCCSAXOPDX-CYBMUJFWSA-N 1 2 399.535 -0.833 20 0 GBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000477496403 530423170 /nfs/dbraw/zinc/42/31/70/530423170.db2.gz WPRBCCCSAXOPDX-ZDUSSCGKSA-N 1 2 399.535 -0.833 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000477496403 530423167 /nfs/dbraw/zinc/42/31/67/530423167.db2.gz WPRBCCCSAXOPDX-ZDUSSCGKSA-N 1 2 399.535 -0.833 20 0 GBADLO COCn1nc(C)c(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1C ZINC000477587455 530423641 /nfs/dbraw/zinc/42/36/41/530423641.db2.gz CPMOKXIQLGKTPE-HNNXBMFYSA-N 1 2 376.479 -0.535 20 0 GBADLO COCn1nc(C)c(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1C ZINC000477587456 530423315 /nfs/dbraw/zinc/42/33/15/530423315.db2.gz CPMOKXIQLGKTPE-OAHLLOKOSA-N 1 2 376.479 -0.535 20 0 GBADLO O=C(CNC(=O)c1ccc(Br)o1)NCCC[N@H+]1CCNC(=O)C1 ZINC000477798841 530423942 /nfs/dbraw/zinc/42/39/42/530423942.db2.gz QGMSVECSUQAIMD-UHFFFAOYSA-N 1 2 387.234 -0.290 20 0 GBADLO O=C(CNC(=O)c1ccc(Br)o1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000477798841 530423940 /nfs/dbraw/zinc/42/39/40/530423940.db2.gz QGMSVECSUQAIMD-UHFFFAOYSA-N 1 2 387.234 -0.290 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@@H+](CCNS(=O)(=O)CC)C(C)(C)C1 ZINC000478022334 530423858 /nfs/dbraw/zinc/42/38/58/530423858.db2.gz XNQUOOHSUNPTOG-UHFFFAOYSA-N 1 2 384.568 -0.739 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@H+](CCNS(=O)(=O)CC)C(C)(C)C1 ZINC000478022334 530423856 /nfs/dbraw/zinc/42/38/56/530423856.db2.gz XNQUOOHSUNPTOG-UHFFFAOYSA-N 1 2 384.568 -0.739 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@@H+](CCNS(=O)(=O)CC)CC1(C)C ZINC000478022334 530423855 /nfs/dbraw/zinc/42/38/55/530423855.db2.gz XNQUOOHSUNPTOG-UHFFFAOYSA-N 1 2 384.568 -0.739 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@H+](CCNS(=O)(=O)CC)CC1(C)C ZINC000478022334 530423854 /nfs/dbraw/zinc/42/38/54/530423854.db2.gz XNQUOOHSUNPTOG-UHFFFAOYSA-N 1 2 384.568 -0.739 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1csnn1 ZINC000478560248 530423782 /nfs/dbraw/zinc/42/37/82/530423782.db2.gz KZYIZBNCEFWVSC-UHFFFAOYSA-N 1 2 382.471 -0.185 20 0 GBADLO CCCCS(=O)(=O)NCC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478875360 530424478 /nfs/dbraw/zinc/42/44/78/530424478.db2.gz ORBZLOYZAPFWGY-HNNXBMFYSA-N 1 2 377.507 -0.344 20 0 GBADLO CCCCS(=O)(=O)NCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478875361 530424333 /nfs/dbraw/zinc/42/43/33/530424333.db2.gz ORBZLOYZAPFWGY-OAHLLOKOSA-N 1 2 377.507 -0.344 20 0 GBADLO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478902160 530424328 /nfs/dbraw/zinc/42/43/28/530424328.db2.gz VTDKSUYKIARTQS-HNNXBMFYSA-N 1 2 377.507 -0.392 20 0 GBADLO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478902172 530424465 /nfs/dbraw/zinc/42/44/65/530424465.db2.gz VTDKSUYKIARTQS-OAHLLOKOSA-N 1 2 377.507 -0.392 20 0 GBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478928500 530424471 /nfs/dbraw/zinc/42/44/71/530424471.db2.gz POIXGHGUIXKOAV-CABCVRRESA-N 1 2 377.507 -0.490 20 0 GBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478928504 530424391 /nfs/dbraw/zinc/42/43/91/530424391.db2.gz POIXGHGUIXKOAV-GJZGRUSLSA-N 1 2 377.507 -0.490 20 0 GBADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478928506 530424322 /nfs/dbraw/zinc/42/43/22/530424322.db2.gz POIXGHGUIXKOAV-HUUCEWRRSA-N 1 2 377.507 -0.490 20 0 GBADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478928508 530424490 /nfs/dbraw/zinc/42/44/90/530424490.db2.gz POIXGHGUIXKOAV-LSDHHAIUSA-N 1 2 377.507 -0.490 20 0 GBADLO O=C(CCN1CCCS1(=O)=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478990766 530424178 /nfs/dbraw/zinc/42/41/78/530424178.db2.gz RAKFWGVCUWBKOH-HNNXBMFYSA-N 1 2 375.491 -0.638 20 0 GBADLO O=C(CCN1CCCS1(=O)=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478990816 530424283 /nfs/dbraw/zinc/42/42/83/530424283.db2.gz RAKFWGVCUWBKOH-OAHLLOKOSA-N 1 2 375.491 -0.638 20 0 GBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000479039708 530424627 /nfs/dbraw/zinc/42/46/27/530424627.db2.gz JWXAYMWWUYJTMY-GFCCVEGCSA-N 1 2 386.499 -0.888 20 0 GBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000479039708 530424626 /nfs/dbraw/zinc/42/46/26/530424626.db2.gz JWXAYMWWUYJTMY-GFCCVEGCSA-N 1 2 386.499 -0.888 20 0 GBADLO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000479039710 530424578 /nfs/dbraw/zinc/42/45/78/530424578.db2.gz JWXAYMWWUYJTMY-LBPRGKRZSA-N 1 2 386.499 -0.888 20 0 GBADLO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000479039710 530424576 /nfs/dbraw/zinc/42/45/76/530424576.db2.gz JWXAYMWWUYJTMY-LBPRGKRZSA-N 1 2 386.499 -0.888 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1C ZINC000479303417 530424808 /nfs/dbraw/zinc/42/48/08/530424808.db2.gz XDFOEBHXJNCIND-CYBMUJFWSA-N 1 2 391.515 -0.410 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1C ZINC000479303417 530424805 /nfs/dbraw/zinc/42/48/05/530424805.db2.gz XDFOEBHXJNCIND-CYBMUJFWSA-N 1 2 391.515 -0.410 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1C ZINC000479303423 530424603 /nfs/dbraw/zinc/42/46/03/530424603.db2.gz XDFOEBHXJNCIND-ZDUSSCGKSA-N 1 2 391.515 -0.410 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1C ZINC000479303423 530424601 /nfs/dbraw/zinc/42/46/01/530424601.db2.gz XDFOEBHXJNCIND-ZDUSSCGKSA-N 1 2 391.515 -0.410 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000479327891 530424588 /nfs/dbraw/zinc/42/45/88/530424588.db2.gz XHIFMGXEGCALGF-ZDUSSCGKSA-N 1 2 391.515 -0.410 20 0 GBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C(=O)N(CCO)CC(F)F ZINC000479978948 530425228 /nfs/dbraw/zinc/42/52/28/530425228.db2.gz MQRFOEHYQWXZBQ-HNNXBMFYSA-N 1 2 381.445 -0.604 20 0 GBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C(=O)N(CCO)CC(F)F ZINC000479978953 530425313 /nfs/dbraw/zinc/42/53/13/530425313.db2.gz MQRFOEHYQWXZBQ-OAHLLOKOSA-N 1 2 381.445 -0.604 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCOC)CC2)cc1C ZINC000480276378 530425629 /nfs/dbraw/zinc/42/56/29/530425629.db2.gz GYVADTMGJAXOBN-UHFFFAOYSA-N 1 2 391.515 -0.144 20 0 GBADLO COCC[NH+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480280970 530425517 /nfs/dbraw/zinc/42/55/17/530425517.db2.gz VUKPJPIDBFGOLH-UHFFFAOYSA-N 1 2 383.536 -0.748 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnnn1C ZINC000480295375 530425547 /nfs/dbraw/zinc/42/55/47/530425547.db2.gz VMTMBFBPIAOBLF-GFCCVEGCSA-N 1 2 379.508 -0.665 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnnn1C ZINC000480295378 530425497 /nfs/dbraw/zinc/42/54/97/530425497.db2.gz VMTMBFBPIAOBLF-LBPRGKRZSA-N 1 2 379.508 -0.665 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)cc1C ZINC000480299168 530425785 /nfs/dbraw/zinc/42/57/85/530425785.db2.gz BJHFSVVSRRPRME-UHFFFAOYSA-N 1 2 377.488 -0.798 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)cc1C ZINC000480358753 530425452 /nfs/dbraw/zinc/42/54/52/530425452.db2.gz BRGJHMQZVIAZDP-UHFFFAOYSA-N 1 2 391.515 -0.096 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1C ZINC000480358753 530425449 /nfs/dbraw/zinc/42/54/49/530425449.db2.gz BRGJHMQZVIAZDP-UHFFFAOYSA-N 1 2 391.515 -0.096 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000480379989 530426077 /nfs/dbraw/zinc/42/60/77/530426077.db2.gz XHIFMGXEGCALGF-CYBMUJFWSA-N 1 2 391.515 -0.410 20 0 GBADLO Cc1nc(N[C@H](C)CCS(C)(=O)=O)nc(N[C@H](C)CCS(C)(=O)=O)[nH+]1 ZINC000480418864 530426191 /nfs/dbraw/zinc/42/61/91/530426191.db2.gz IIVNQZYONVWPIE-GHMZBOCLSA-N 1 2 393.535 -0.506 20 0 GBADLO Cc1nc(N[C@@H](C)CCS(C)(=O)=O)nc(N[C@H](C)CCS(C)(=O)=O)[nH+]1 ZINC000480418870 530426052 /nfs/dbraw/zinc/42/60/52/530426052.db2.gz IIVNQZYONVWPIE-PHIMTYICSA-N 1 2 393.535 -0.506 20 0 GBADLO Cc1nc(N[C@H](C)CCS(C)(=O)=O)nc(N[C@@H](C)CCS(C)(=O)=O)[nH+]1 ZINC000480418870 530426050 /nfs/dbraw/zinc/42/60/50/530426050.db2.gz IIVNQZYONVWPIE-PHIMTYICSA-N 1 2 393.535 -0.506 20 0 GBADLO Cc1nc(N[C@@H](C)CCS(C)(=O)=O)nc(N[C@@H](C)CCS(C)(=O)=O)[nH+]1 ZINC000480418871 530426066 /nfs/dbraw/zinc/42/60/66/530426066.db2.gz IIVNQZYONVWPIE-QWRGUYRKSA-N 1 2 393.535 -0.506 20 0 GBADLO Cc1nc(NC[C@@H]2CCCS2(=O)=O)nc(NC[C@@H]2CCCS2(=O)=O)[nH+]1 ZINC000480428746 530425931 /nfs/dbraw/zinc/42/59/31/530425931.db2.gz WBSOQQODRIUJQC-RYUDHWBXSA-N 1 2 389.503 -0.998 20 0 GBADLO Cc1nc(NC[C@@H]2CCCS2(=O)=O)nc(NC[C@H]2CCCS2(=O)=O)[nH+]1 ZINC000480428747 530426153 /nfs/dbraw/zinc/42/61/53/530426153.db2.gz WBSOQQODRIUJQC-TXEJJXNPSA-N 1 2 389.503 -0.998 20 0 GBADLO Cc1nc(NC[C@H]2CCCS2(=O)=O)nc(NC[C@@H]2CCCS2(=O)=O)[nH+]1 ZINC000480428747 530426150 /nfs/dbraw/zinc/42/61/50/530426150.db2.gz WBSOQQODRIUJQC-TXEJJXNPSA-N 1 2 389.503 -0.998 20 0 GBADLO Cc1nc(NC[C@H]2CCCS2(=O)=O)nc(NC[C@H]2CCCS2(=O)=O)[nH+]1 ZINC000480428748 530425967 /nfs/dbraw/zinc/42/59/67/530425967.db2.gz WBSOQQODRIUJQC-VXGBXAGGSA-N 1 2 389.503 -0.998 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2ccc(NCCCS(C)(=O)=O)nc2)CC1 ZINC000480440106 530170582 /nfs/dbraw/zinc/17/05/82/530170582.db2.gz ACZNWJBHQFDPTC-UHFFFAOYSA-N 1 2 376.504 -0.136 20 0 GBADLO C[C@](O)(CNC(=O)c1nc2ncc(Br)cn2n1)C[NH+]1CCOCC1 ZINC000480499364 530426553 /nfs/dbraw/zinc/42/65/53/530426553.db2.gz PAEVBCAKDLHTEZ-AWEZNQCLSA-N 1 2 399.249 -0.300 20 0 GBADLO C[C@@](O)(CNC(=O)c1nc2ncc(Br)cn2n1)C[NH+]1CCOCC1 ZINC000480499368 530426363 /nfs/dbraw/zinc/42/63/63/530426363.db2.gz PAEVBCAKDLHTEZ-CQSZACIVSA-N 1 2 399.249 -0.300 20 0 GBADLO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480524727 530426394 /nfs/dbraw/zinc/42/63/94/530426394.db2.gz KJZSMDHRIFRWKK-GFCCVEGCSA-N 1 2 377.488 -0.126 20 0 GBADLO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480524727 530426392 /nfs/dbraw/zinc/42/63/92/530426392.db2.gz KJZSMDHRIFRWKK-GFCCVEGCSA-N 1 2 377.488 -0.126 20 0 GBADLO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480524728 530426338 /nfs/dbraw/zinc/42/63/38/530426338.db2.gz KJZSMDHRIFRWKK-LBPRGKRZSA-N 1 2 377.488 -0.126 20 0 GBADLO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480524728 530426336 /nfs/dbraw/zinc/42/63/36/530426336.db2.gz KJZSMDHRIFRWKK-LBPRGKRZSA-N 1 2 377.488 -0.126 20 0 GBADLO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000480646339 530426292 /nfs/dbraw/zinc/42/62/92/530426292.db2.gz MJRIHHCAOLACRS-UHFFFAOYSA-N 1 2 385.471 -0.285 20 0 GBADLO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480665564 530426713 /nfs/dbraw/zinc/42/67/13/530426713.db2.gz YMYLSTATEKUQNR-UHFFFAOYSA-N 1 2 395.503 -0.954 20 0 GBADLO COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000480666530 530427020 /nfs/dbraw/zinc/42/70/20/530427020.db2.gz PZGXSWKLMGUVHT-KBPBESRZSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000480666666 530426949 /nfs/dbraw/zinc/42/69/49/530426949.db2.gz PZGXSWKLMGUVHT-KGLIPLIRSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000480666672 530426880 /nfs/dbraw/zinc/42/68/80/530426880.db2.gz PZGXSWKLMGUVHT-UONOGXRCSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000480666677 530426699 /nfs/dbraw/zinc/42/66/99/530426699.db2.gz PZGXSWKLMGUVHT-ZIAGYGMSSA-N 1 2 375.491 -0.200 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1C ZINC000480678474 530426968 /nfs/dbraw/zinc/42/69/68/530426968.db2.gz TZKKTWTYFCTKEL-CYBMUJFWSA-N 1 2 390.531 -0.573 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1C ZINC000480678474 530426965 /nfs/dbraw/zinc/42/69/65/530426965.db2.gz TZKKTWTYFCTKEL-CYBMUJFWSA-N 1 2 390.531 -0.573 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1C ZINC000480678477 530426934 /nfs/dbraw/zinc/42/69/34/530426934.db2.gz TZKKTWTYFCTKEL-ZDUSSCGKSA-N 1 2 390.531 -0.573 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1C ZINC000480678477 530426932 /nfs/dbraw/zinc/42/69/32/530426932.db2.gz TZKKTWTYFCTKEL-ZDUSSCGKSA-N 1 2 390.531 -0.573 20 0 GBADLO Cc1nc(NCC2(S(C)(=O)=O)CC2)nc(NCC2(S(C)(=O)=O)CC2)[nH+]1 ZINC000480718352 530426998 /nfs/dbraw/zinc/42/69/98/530426998.db2.gz NWORRRRBRHRFBF-UHFFFAOYSA-N 1 2 389.503 -0.998 20 0 GBADLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)CC2)C1 ZINC000480822376 530427104 /nfs/dbraw/zinc/42/71/04/530427104.db2.gz HWQKZAVTSHDPFY-CYBMUJFWSA-N 1 2 376.504 -0.350 20 0 GBADLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)CC2)C1 ZINC000480822403 530427355 /nfs/dbraw/zinc/42/73/55/530427355.db2.gz HWQKZAVTSHDPFY-ZDUSSCGKSA-N 1 2 376.504 -0.350 20 0 GBADLO COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000480823285 530427281 /nfs/dbraw/zinc/42/72/81/530427281.db2.gz ZYJUTEVSCQSYCZ-KBPBESRZSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000480823286 530427252 /nfs/dbraw/zinc/42/72/52/530427252.db2.gz ZYJUTEVSCQSYCZ-KGLIPLIRSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000480823287 530427108 /nfs/dbraw/zinc/42/71/08/530427108.db2.gz ZYJUTEVSCQSYCZ-UONOGXRCSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000480823288 530427288 /nfs/dbraw/zinc/42/72/88/530427288.db2.gz ZYJUTEVSCQSYCZ-ZIAGYGMSSA-N 1 2 375.491 -0.246 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1C ZINC000480899788 530427740 /nfs/dbraw/zinc/42/77/40/530427740.db2.gz QBCVSYWHINEGEU-UHFFFAOYSA-N 1 2 391.515 -0.408 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000481468360 530428768 /nfs/dbraw/zinc/42/87/68/530428768.db2.gz SPUUNAOUTJGYRB-UHFFFAOYSA-N 1 2 389.503 -0.974 20 0 GBADLO CC(C)CC[C@H](O)C[NH+]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000482828226 530430239 /nfs/dbraw/zinc/43/02/39/530430239.db2.gz OOIKJGHQHAFARE-CVEARBPZSA-N 1 2 375.535 -0.296 20 0 GBADLO CC(C)CC[C@H](O)C[NH+]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000482828227 530430083 /nfs/dbraw/zinc/43/00/83/530430083.db2.gz OOIKJGHQHAFARE-HOTGVXAUSA-N 1 2 375.535 -0.296 20 0 GBADLO CC(C)CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000482828228 530430194 /nfs/dbraw/zinc/43/01/94/530430194.db2.gz OOIKJGHQHAFARE-HZPDHXFCSA-N 1 2 375.535 -0.296 20 0 GBADLO CC(C)CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000482828229 530430326 /nfs/dbraw/zinc/43/03/26/530430326.db2.gz OOIKJGHQHAFARE-JKSUJKDBSA-N 1 2 375.535 -0.296 20 0 GBADLO COCCN(C(=O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000483303767 530430559 /nfs/dbraw/zinc/43/05/59/530430559.db2.gz BMANLFQSTPSWRI-QLFBSQMISA-N 1 2 378.491 -0.880 20 0 GBADLO COCCN(C(=O)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000483303767 530430557 /nfs/dbraw/zinc/43/05/57/530430557.db2.gz BMANLFQSTPSWRI-QLFBSQMISA-N 1 2 378.491 -0.880 20 0 GBADLO COCCN(C(=O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000483303768 530430614 /nfs/dbraw/zinc/43/06/14/530430614.db2.gz BMANLFQSTPSWRI-RBSFLKMASA-N 1 2 378.491 -0.880 20 0 GBADLO COCCN(C(=O)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000483303768 530430612 /nfs/dbraw/zinc/43/06/12/530430612.db2.gz BMANLFQSTPSWRI-RBSFLKMASA-N 1 2 378.491 -0.880 20 0 GBADLO COCCN(C(=O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000483303769 530430646 /nfs/dbraw/zinc/43/06/46/530430646.db2.gz BMANLFQSTPSWRI-RRFJBIMHSA-N 1 2 378.491 -0.880 20 0 GBADLO COCCN(C(=O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000483303769 530430644 /nfs/dbraw/zinc/43/06/44/530430644.db2.gz BMANLFQSTPSWRI-RRFJBIMHSA-N 1 2 378.491 -0.880 20 0 GBADLO COCCN(C(=O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000483303770 530430591 /nfs/dbraw/zinc/43/05/91/530430591.db2.gz BMANLFQSTPSWRI-SOUVJXGZSA-N 1 2 378.491 -0.880 20 0 GBADLO COCCN(C(=O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000483303770 530430590 /nfs/dbraw/zinc/43/05/90/530430590.db2.gz BMANLFQSTPSWRI-SOUVJXGZSA-N 1 2 378.491 -0.880 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCSC3)CC2)CC1 ZINC000484240146 530431054 /nfs/dbraw/zinc/43/10/54/530431054.db2.gz VHWJYIWCCOBBCI-AWEZNQCLSA-N 1 2 391.563 -0.299 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCSC3)CC2)CC1 ZINC000484240160 530430987 /nfs/dbraw/zinc/43/09/87/530430987.db2.gz VHWJYIWCCOBBCI-CQSZACIVSA-N 1 2 391.563 -0.299 20 0 GBADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)N1CCS(=O)(=O)CC1)C1CCOCC1 ZINC000485374067 530432193 /nfs/dbraw/zinc/43/21/93/530432193.db2.gz FCMIXLJEWYWDLY-CYBMUJFWSA-N 1 2 392.503 -0.547 20 0 GBADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)N1CCS(=O)(=O)CC1)C1CCOCC1 ZINC000485374070 530432343 /nfs/dbraw/zinc/43/23/43/530432343.db2.gz FCMIXLJEWYWDLY-ZDUSSCGKSA-N 1 2 392.503 -0.547 20 0 GBADLO CC(C)Cc1nnc(NC(=O)CN2CC[NH+](CCS(N)(=O)=O)CC2)s1 ZINC000485402685 530432070 /nfs/dbraw/zinc/43/20/70/530432070.db2.gz BJPQKDCGQADBAL-UHFFFAOYSA-N 1 2 390.535 -0.419 20 0 GBADLO Cn1ncc(Cl)c1S(=O)(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000485405759 530432247 /nfs/dbraw/zinc/43/22/47/530432247.db2.gz ZQSHQSVVORXZGT-UHFFFAOYSA-N 1 2 389.869 -0.251 20 0 GBADLO CCCCc1nnc(NC(=O)CN2CC[NH+](CCS(N)(=O)=O)CC2)s1 ZINC000485407745 530432161 /nfs/dbraw/zinc/43/21/61/530432161.db2.gz KXOXAABVPNJSRY-UHFFFAOYSA-N 1 2 390.535 -0.275 20 0 GBADLO CC(C)(C)c1nnc(NC(=O)CN2CC[NH+](CCS(N)(=O)=O)CC2)s1 ZINC000485412303 530432210 /nfs/dbraw/zinc/43/22/10/530432210.db2.gz SNIBAAQYJFASGD-UHFFFAOYSA-N 1 2 390.535 -0.320 20 0 GBADLO CC(C)c1nnc(NC(=O)CN2CC[NH+](CCS(N)(=O)=O)CC2)s1 ZINC000485414733 530432036 /nfs/dbraw/zinc/43/20/36/530432036.db2.gz YLAAFVCQTBYYLX-UHFFFAOYSA-N 1 2 376.508 -0.494 20 0 GBADLO C[NH+](C)CCCN(C(=O)CSc1n[nH]c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000485420667 530432232 /nfs/dbraw/zinc/43/22/32/530432232.db2.gz DCTQHJOPCYFYKU-JTQLQIEISA-N 1 2 377.492 -0.430 20 0 GBADLO C[NH+](C)CCCN(C(=O)CSc1n[nH]c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000485420671 530432334 /nfs/dbraw/zinc/43/23/34/530432334.db2.gz DCTQHJOPCYFYKU-SNVBAGLBSA-N 1 2 377.492 -0.430 20 0 GBADLO CC(C)NS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000485837703 530432283 /nfs/dbraw/zinc/43/22/83/530432283.db2.gz DMHWDYMOFPUIEY-UHFFFAOYSA-N 1 2 391.519 -0.634 20 0 GBADLO NS(=O)(=O)c1cc(Br)cnc1NCCC[N@H+]1CCNC(=O)C1 ZINC000485962455 530432692 /nfs/dbraw/zinc/43/26/92/530432692.db2.gz ZTEMPQOYULFJDC-UHFFFAOYSA-N 1 2 392.279 -0.275 20 0 GBADLO NS(=O)(=O)c1cc(Br)cnc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000485962455 530432689 /nfs/dbraw/zinc/43/26/89/530432689.db2.gz ZTEMPQOYULFJDC-UHFFFAOYSA-N 1 2 392.279 -0.275 20 0 GBADLO COCCSCCC[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000486815268 530433999 /nfs/dbraw/zinc/43/39/99/530433999.db2.gz MVOOHKNVWKAUMI-UHFFFAOYSA-N 1 2 380.580 -0.134 20 0 GBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)C(F)(F)F ZINC000486841154 530434301 /nfs/dbraw/zinc/43/43/01/530434301.db2.gz XWPOVPPQKLJFED-LLVKDONJSA-N 1 2 390.428 -0.218 20 0 GBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)C(F)(F)F ZINC000486841156 530434395 /nfs/dbraw/zinc/43/43/95/530434395.db2.gz XWPOVPPQKLJFED-NSHDSACASA-N 1 2 390.428 -0.218 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N(C)CCC(=O)OC)CC1 ZINC000487017764 530434779 /nfs/dbraw/zinc/43/47/79/530434779.db2.gz WWGFKKLJFCNZST-UHFFFAOYSA-N 1 2 378.495 -0.694 20 0 GBADLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000487331995 530435018 /nfs/dbraw/zinc/43/50/18/530435018.db2.gz GZTWLVBTHUOAHL-CYBMUJFWSA-N 1 2 381.520 -0.853 20 0 GBADLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000487331995 530435015 /nfs/dbraw/zinc/43/50/15/530435015.db2.gz GZTWLVBTHUOAHL-CYBMUJFWSA-N 1 2 381.520 -0.853 20 0 GBADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000487343195 530435410 /nfs/dbraw/zinc/43/54/10/530435410.db2.gz GZTWLVBTHUOAHL-ZDUSSCGKSA-N 1 2 381.520 -0.853 20 0 GBADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000487343195 530435408 /nfs/dbraw/zinc/43/54/08/530435408.db2.gz GZTWLVBTHUOAHL-ZDUSSCGKSA-N 1 2 381.520 -0.853 20 0 GBADLO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000487395790 530435387 /nfs/dbraw/zinc/43/53/87/530435387.db2.gz LXBGJRFKCYZEES-CHWSQXEVSA-N 1 2 379.479 -0.916 20 0 GBADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000487395792 530435562 /nfs/dbraw/zinc/43/55/62/530435562.db2.gz LXBGJRFKCYZEES-OLZOCXBDSA-N 1 2 379.479 -0.916 20 0 GBADLO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000487395794 530435648 /nfs/dbraw/zinc/43/56/48/530435648.db2.gz LXBGJRFKCYZEES-QWHCGFSZSA-N 1 2 379.479 -0.916 20 0 GBADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000487395796 530435548 /nfs/dbraw/zinc/43/55/48/530435548.db2.gz LXBGJRFKCYZEES-STQMWFEESA-N 1 2 379.479 -0.916 20 0 GBADLO CN(CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ncnc2[nH]cnc21 ZINC000487478551 1073504254 /nfs/dbraw/zinc/50/42/54/1073504254.db2.gz PKIGBUSFXHGMEY-UHFFFAOYSA-N 1 2 386.460 -0.444 20 0 GBADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000487567797 530436102 /nfs/dbraw/zinc/43/61/02/530436102.db2.gz BHKCJWMSQHUCQX-UHFFFAOYSA-N 1 2 384.487 -0.247 20 0 GBADLO CS(=O)(=O)N1CC(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000487932325 530435989 /nfs/dbraw/zinc/43/59/89/530435989.db2.gz RIOUVHBXMPXWMW-HNNXBMFYSA-N 1 2 392.547 -0.615 20 0 GBADLO CS(=O)(=O)N1CC(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000487932326 530435893 /nfs/dbraw/zinc/43/58/93/530435893.db2.gz RIOUVHBXMPXWMW-OAHLLOKOSA-N 1 2 392.547 -0.615 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000488006016 530436434 /nfs/dbraw/zinc/43/64/34/530436434.db2.gz DOUHVCGNNDAPSU-AWEZNQCLSA-N 1 2 383.536 -0.606 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000488006016 530436433 /nfs/dbraw/zinc/43/64/33/530436433.db2.gz DOUHVCGNNDAPSU-AWEZNQCLSA-N 1 2 383.536 -0.606 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000488006017 530436387 /nfs/dbraw/zinc/43/63/87/530436387.db2.gz DOUHVCGNNDAPSU-CQSZACIVSA-N 1 2 383.536 -0.606 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000488006017 530436386 /nfs/dbraw/zinc/43/63/86/530436386.db2.gz DOUHVCGNNDAPSU-CQSZACIVSA-N 1 2 383.536 -0.606 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000488026556 530436759 /nfs/dbraw/zinc/43/67/59/530436759.db2.gz NPQNASFEXZVTPI-CYBMUJFWSA-N 1 2 376.479 -0.653 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000488026556 530436757 /nfs/dbraw/zinc/43/67/57/530436757.db2.gz NPQNASFEXZVTPI-CYBMUJFWSA-N 1 2 376.479 -0.653 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000488026560 530436406 /nfs/dbraw/zinc/43/64/06/530436406.db2.gz NPQNASFEXZVTPI-ZDUSSCGKSA-N 1 2 376.479 -0.653 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000488026560 530436405 /nfs/dbraw/zinc/43/64/05/530436405.db2.gz NPQNASFEXZVTPI-ZDUSSCGKSA-N 1 2 376.479 -0.653 20 0 GBADLO COCCN(C(=O)CN1CC[N@@H+](C)[C@H](C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000488047449 530436640 /nfs/dbraw/zinc/43/66/40/530436640.db2.gz WQOCJYDNZYBPCS-CVEARBPZSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@H+](C)[C@H](C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000488047449 530436639 /nfs/dbraw/zinc/43/66/39/530436639.db2.gz WQOCJYDNZYBPCS-CVEARBPZSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@@H+](C)[C@H](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000488047456 530436677 /nfs/dbraw/zinc/43/66/77/530436677.db2.gz WQOCJYDNZYBPCS-HOTGVXAUSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@H+](C)[C@H](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000488047456 530436674 /nfs/dbraw/zinc/43/66/74/530436674.db2.gz WQOCJYDNZYBPCS-HOTGVXAUSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@@H+](C)[C@@H](C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000488047464 530436492 /nfs/dbraw/zinc/43/64/92/530436492.db2.gz WQOCJYDNZYBPCS-HZPDHXFCSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@H+](C)[C@@H](C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000488047464 530436489 /nfs/dbraw/zinc/43/64/89/530436489.db2.gz WQOCJYDNZYBPCS-HZPDHXFCSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@@H+](C)[C@@H](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000488047473 530436595 /nfs/dbraw/zinc/43/65/95/530436595.db2.gz WQOCJYDNZYBPCS-JKSUJKDBSA-N 1 2 375.535 -0.080 20 0 GBADLO COCCN(C(=O)CN1CC[N@H+](C)[C@@H](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000488047473 530436593 /nfs/dbraw/zinc/43/65/93/530436593.db2.gz WQOCJYDNZYBPCS-JKSUJKDBSA-N 1 2 375.535 -0.080 20 0 GBADLO CCCN(CCC)S(=O)(=O)N1CC[NH+](CCCS(=O)(=O)NC)CC1 ZINC000488228746 530436397 /nfs/dbraw/zinc/43/63/97/530436397.db2.gz GLCWUQGVRNPSKE-UHFFFAOYSA-N 1 2 384.568 -0.090 20 0 GBADLO CCCN(CCC)S(=O)(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000488232311 530436541 /nfs/dbraw/zinc/43/65/41/530436541.db2.gz LWLXDZHYEFUWRX-UHFFFAOYSA-N 1 2 375.495 -0.477 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000488301190 530436470 /nfs/dbraw/zinc/43/64/70/530436470.db2.gz QJNVDMAZJADIRN-UHFFFAOYSA-N 1 2 391.515 -0.015 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)cs1 ZINC000488459759 530437059 /nfs/dbraw/zinc/43/70/59/530437059.db2.gz PCPQROIRYRUNBW-AWEZNQCLSA-N 1 2 390.531 -0.549 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)cs1 ZINC000488459762 530436953 /nfs/dbraw/zinc/43/69/53/530436953.db2.gz PCPQROIRYRUNBW-CQSZACIVSA-N 1 2 390.531 -0.549 20 0 GBADLO CNC(=O)NC(=O)CC[NH+]1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000488478371 530437066 /nfs/dbraw/zinc/43/70/66/530437066.db2.gz BWYVMGCJZLHZNO-UHFFFAOYSA-N 1 2 375.476 -0.396 20 0 GBADLO CCS(=O)(=O)N1CCN(CCC[NH+]2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000488704430 530437126 /nfs/dbraw/zinc/43/71/26/530437126.db2.gz XOTJUZYDSUFOSP-UHFFFAOYSA-N 1 2 396.579 -0.689 20 0 GBADLO Cc1nc(S(=O)(=O)N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)cs1 ZINC000488915485 530437384 /nfs/dbraw/zinc/43/73/84/530437384.db2.gz HVUMFJPJXJZKRM-UHFFFAOYSA-N 1 2 387.487 -0.300 20 0 GBADLO Cc1nc(S(=O)(=O)N2CC[NH+](CCCC(=O)NC(N)=O)CC2)cs1 ZINC000488917431 530437244 /nfs/dbraw/zinc/43/72/44/530437244.db2.gz SCAJUHWCVAEABW-UHFFFAOYSA-N 1 2 375.476 -0.267 20 0 GBADLO CCOC[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000489049629 530437325 /nfs/dbraw/zinc/43/73/25/530437325.db2.gz GUNWJSWKGYXBCT-AWEZNQCLSA-N 1 2 377.511 -0.769 20 0 GBADLO CCCNS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000489137953 530437910 /nfs/dbraw/zinc/43/79/10/530437910.db2.gz ZJXRSLVJMJGLEB-UHFFFAOYSA-N 1 2 391.519 -0.633 20 0 GBADLO C[C@H](O)C[NH+]1CCN(c2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000489900769 530438521 /nfs/dbraw/zinc/43/85/21/530438521.db2.gz VGNSTYGTEGULJF-VIFPVBQESA-N 1 2 379.280 -0.006 20 0 GBADLO C[C@@H]1CN(c2ncc(Br)cc2S(N)(=O)=O)CC[N@H+]1CCO ZINC000490038399 530438676 /nfs/dbraw/zinc/43/86/76/530438676.db2.gz ATXHBUYJMPUBOL-SECBINFHSA-N 1 2 379.280 -0.006 20 0 GBADLO C[C@@H]1CN(c2ncc(Br)cc2S(N)(=O)=O)CC[N@@H+]1CCO ZINC000490038399 530438675 /nfs/dbraw/zinc/43/86/75/530438675.db2.gz ATXHBUYJMPUBOL-SECBINFHSA-N 1 2 379.280 -0.006 20 0 GBADLO C[C@H]1CN(c2ncc(Br)cc2S(N)(=O)=O)CC[N@H+]1CCO ZINC000490038400 530438689 /nfs/dbraw/zinc/43/86/89/530438689.db2.gz ATXHBUYJMPUBOL-VIFPVBQESA-N 1 2 379.280 -0.006 20 0 GBADLO C[C@H]1CN(c2ncc(Br)cc2S(N)(=O)=O)CC[N@@H+]1CCO ZINC000490038400 530438687 /nfs/dbraw/zinc/43/86/87/530438687.db2.gz ATXHBUYJMPUBOL-VIFPVBQESA-N 1 2 379.280 -0.006 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000490465058 530438928 /nfs/dbraw/zinc/43/89/28/530438928.db2.gz NQDJKSBCKDBWKZ-UHFFFAOYSA-N 1 2 379.433 -0.021 20 0 GBADLO CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000490667624 530439497 /nfs/dbraw/zinc/43/94/97/530439497.db2.gz DQHMSYCGUMVFHE-LLVKDONJSA-N 1 2 377.463 -0.337 20 0 GBADLO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000490667624 530439494 /nfs/dbraw/zinc/43/94/94/530439494.db2.gz DQHMSYCGUMVFHE-LLVKDONJSA-N 1 2 377.463 -0.337 20 0 GBADLO CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000490667629 530439467 /nfs/dbraw/zinc/43/94/67/530439467.db2.gz DQHMSYCGUMVFHE-NSHDSACASA-N 1 2 377.463 -0.337 20 0 GBADLO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000490667629 530439466 /nfs/dbraw/zinc/43/94/66/530439466.db2.gz DQHMSYCGUMVFHE-NSHDSACASA-N 1 2 377.463 -0.337 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000491559337 530439943 /nfs/dbraw/zinc/43/99/43/530439943.db2.gz KGXMSUXHQDTYSH-UHFFFAOYSA-N 1 2 391.515 -0.327 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000491559337 530439942 /nfs/dbraw/zinc/43/99/42/530439942.db2.gz KGXMSUXHQDTYSH-UHFFFAOYSA-N 1 2 391.515 -0.327 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000491574618 530440007 /nfs/dbraw/zinc/44/00/07/530440007.db2.gz XJMUPSNUVLYCAK-CYBMUJFWSA-N 1 2 390.531 -0.491 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000491574618 530440004 /nfs/dbraw/zinc/44/00/04/530440004.db2.gz XJMUPSNUVLYCAK-CYBMUJFWSA-N 1 2 390.531 -0.491 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000491574619 530440091 /nfs/dbraw/zinc/44/00/91/530440091.db2.gz XJMUPSNUVLYCAK-ZDUSSCGKSA-N 1 2 390.531 -0.491 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000491574619 530440089 /nfs/dbraw/zinc/44/00/89/530440089.db2.gz XJMUPSNUVLYCAK-ZDUSSCGKSA-N 1 2 390.531 -0.491 20 0 GBADLO COC(=O)C(C)(C)N1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000491832522 530440649 /nfs/dbraw/zinc/44/06/49/530440649.db2.gz RCUOEEHTGXXEDN-UHFFFAOYSA-N 1 2 377.507 -0.392 20 0 GBADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000492260373 530440738 /nfs/dbraw/zinc/44/07/38/530440738.db2.gz SDQRAGWVWNLAFE-ZDUSSCGKSA-N 1 2 376.500 -0.082 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000492262182 530440727 /nfs/dbraw/zinc/44/07/27/530440727.db2.gz XEFAEABXHRRLPF-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000492310528 530440765 /nfs/dbraw/zinc/44/07/65/530440765.db2.gz GZUUOJBNCUJMBH-ZDUSSCGKSA-N 1 2 391.515 -0.328 20 0 GBADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000492417061 530440757 /nfs/dbraw/zinc/44/07/57/530440757.db2.gz MLRWCPFRKGBSAX-NSHDSACASA-N 1 2 395.478 -0.116 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000493824061 530441145 /nfs/dbraw/zinc/44/11/45/530441145.db2.gz SMVHPBDULGEABL-UHFFFAOYSA-N 1 2 391.515 -0.327 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC[N@H+]1CCO ZINC000494275708 530441912 /nfs/dbraw/zinc/44/19/12/530441912.db2.gz BKPMUENATNPADS-AWEZNQCLSA-N 1 2 391.515 -0.707 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC[N@@H+]1CCO ZINC000494275708 530441911 /nfs/dbraw/zinc/44/19/11/530441911.db2.gz BKPMUENATNPADS-AWEZNQCLSA-N 1 2 391.515 -0.707 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC[N@H+]1CCO ZINC000494275709 530442117 /nfs/dbraw/zinc/44/21/17/530442117.db2.gz BKPMUENATNPADS-CQSZACIVSA-N 1 2 391.515 -0.707 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC[N@@H+]1CCO ZINC000494275709 530442115 /nfs/dbraw/zinc/44/21/15/530442115.db2.gz BKPMUENATNPADS-CQSZACIVSA-N 1 2 391.515 -0.707 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000494304381 530441758 /nfs/dbraw/zinc/44/17/58/530441758.db2.gz SWVCXMDPQZNUCX-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000494304381 530441755 /nfs/dbraw/zinc/44/17/55/530441755.db2.gz SWVCXMDPQZNUCX-GFCCVEGCSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000494304382 530441969 /nfs/dbraw/zinc/44/19/69/530441969.db2.gz SWVCXMDPQZNUCX-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000494304382 530441968 /nfs/dbraw/zinc/44/19/68/530441968.db2.gz SWVCXMDPQZNUCX-LBPRGKRZSA-N 1 2 377.488 -0.718 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000494305045 530441780 /nfs/dbraw/zinc/44/17/80/530441780.db2.gz ADRRIJMFJRTMHP-CYBMUJFWSA-N 1 2 391.515 -0.328 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000494305045 530441777 /nfs/dbraw/zinc/44/17/77/530441777.db2.gz ADRRIJMFJRTMHP-CYBMUJFWSA-N 1 2 391.515 -0.328 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000494305046 530442044 /nfs/dbraw/zinc/44/20/44/530442044.db2.gz ADRRIJMFJRTMHP-ZDUSSCGKSA-N 1 2 391.515 -0.328 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000494305046 530442042 /nfs/dbraw/zinc/44/20/42/530442042.db2.gz ADRRIJMFJRTMHP-ZDUSSCGKSA-N 1 2 391.515 -0.328 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC[N@H+]1CCO ZINC000494341132 530441963 /nfs/dbraw/zinc/44/19/63/530441963.db2.gz NDOIHBODAQVJCO-LLVKDONJSA-N 1 2 391.877 -0.109 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC[N@@H+]1CCO ZINC000494341132 530441961 /nfs/dbraw/zinc/44/19/61/530441961.db2.gz NDOIHBODAQVJCO-LLVKDONJSA-N 1 2 391.877 -0.109 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC[N@H+]1CCO ZINC000494341133 530441861 /nfs/dbraw/zinc/44/18/61/530441861.db2.gz NDOIHBODAQVJCO-NSHDSACASA-N 1 2 391.877 -0.109 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC[N@@H+]1CCO ZINC000494341133 530441857 /nfs/dbraw/zinc/44/18/57/530441857.db2.gz NDOIHBODAQVJCO-NSHDSACASA-N 1 2 391.877 -0.109 20 0 GBADLO CC[N@@H+](CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCC(F)(F)F ZINC000494391805 530441849 /nfs/dbraw/zinc/44/18/49/530441849.db2.gz ITNAGNZOMWFBTC-UHFFFAOYSA-N 1 2 386.396 -0.363 20 0 GBADLO CC[N@H+](CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCC(F)(F)F ZINC000494391805 530441846 /nfs/dbraw/zinc/44/18/46/530441846.db2.gz ITNAGNZOMWFBTC-UHFFFAOYSA-N 1 2 386.396 -0.363 20 0 GBADLO CCCN(C(=O)[C@@H](C)N1CC[NH+](C[C@H](C)O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494431218 530442359 /nfs/dbraw/zinc/44/23/59/530442359.db2.gz DAXXKJNKKOHFDJ-ARFHVFGLSA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[NH+](C[C@H](C)O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494431222 530442435 /nfs/dbraw/zinc/44/24/35/530442435.db2.gz DAXXKJNKKOHFDJ-HRCADAONSA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@H](C)N1CC[NH+](C[C@H](C)O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000494431224 530442408 /nfs/dbraw/zinc/44/24/08/530442408.db2.gz DAXXKJNKKOHFDJ-JYJNAYRXSA-N 1 2 375.535 -0.201 20 0 GBADLO CCCN(C(=O)[C@@H](C)N1CC[NH+](C[C@H](C)O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000494431225 530442364 /nfs/dbraw/zinc/44/23/64/530442364.db2.gz DAXXKJNKKOHFDJ-XHSDSOJGSA-N 1 2 375.535 -0.201 20 0 GBADLO CCCCN(C(=O)CN1CC[NH+](C[C@H](C)O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000494460073 530442328 /nfs/dbraw/zinc/44/23/28/530442328.db2.gz WYHLBSACTCUACB-HOTGVXAUSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCN(C(=O)CN1CC[NH+](C[C@H](C)O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494460074 530442498 /nfs/dbraw/zinc/44/24/98/530442498.db2.gz WYHLBSACTCUACB-JKSUJKDBSA-N 1 2 375.535 -0.199 20 0 GBADLO CC(C)CN(C(=O)CN1CC[NH+](C[C@H](C)O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000494462210 530442605 /nfs/dbraw/zinc/44/26/05/530442605.db2.gz DHFFNFLSFVUOEN-HOTGVXAUSA-N 1 2 375.535 -0.344 20 0 GBADLO CC(C)CN(C(=O)CN1CC[NH+](C[C@H](C)O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000494462212 530442528 /nfs/dbraw/zinc/44/25/28/530442528.db2.gz DHFFNFLSFVUOEN-JKSUJKDBSA-N 1 2 375.535 -0.344 20 0 GBADLO CCN(CC)S(=O)(=O)CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000494522522 530442378 /nfs/dbraw/zinc/44/23/78/530442378.db2.gz FOSURHZRJUVZOW-UHFFFAOYSA-N 1 2 377.511 -0.751 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)C1 ZINC000494704699 530442253 /nfs/dbraw/zinc/44/22/53/530442253.db2.gz WECMAKCFWCLEGX-KBPBESRZSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)C1 ZINC000494704699 530442249 /nfs/dbraw/zinc/44/22/49/530442249.db2.gz WECMAKCFWCLEGX-KBPBESRZSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)C1 ZINC000494704700 530442487 /nfs/dbraw/zinc/44/24/87/530442487.db2.gz WECMAKCFWCLEGX-KGLIPLIRSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)C1 ZINC000494704700 530442486 /nfs/dbraw/zinc/44/24/86/530442486.db2.gz WECMAKCFWCLEGX-KGLIPLIRSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)C1 ZINC000494704701 530442432 /nfs/dbraw/zinc/44/24/32/530442432.db2.gz WECMAKCFWCLEGX-UONOGXRCSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)C1 ZINC000494704701 530442431 /nfs/dbraw/zinc/44/24/31/530442431.db2.gz WECMAKCFWCLEGX-UONOGXRCSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)C1 ZINC000494704702 530442560 /nfs/dbraw/zinc/44/25/60/530442560.db2.gz WECMAKCFWCLEGX-ZIAGYGMSSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)C1 ZINC000494704702 530442559 /nfs/dbraw/zinc/44/25/59/530442559.db2.gz WECMAKCFWCLEGX-ZIAGYGMSSA-N 1 2 375.491 -0.198 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000494735695 530442495 /nfs/dbraw/zinc/44/24/95/530442495.db2.gz MHAPFVBNCWAOQG-GFCCVEGCSA-N 1 2 390.487 -0.714 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000494735695 530442494 /nfs/dbraw/zinc/44/24/94/530442494.db2.gz MHAPFVBNCWAOQG-GFCCVEGCSA-N 1 2 390.487 -0.714 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000494735698 530442336 /nfs/dbraw/zinc/44/23/36/530442336.db2.gz MHAPFVBNCWAOQG-LBPRGKRZSA-N 1 2 390.487 -0.714 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000494735698 530442334 /nfs/dbraw/zinc/44/23/34/530442334.db2.gz MHAPFVBNCWAOQG-LBPRGKRZSA-N 1 2 390.487 -0.714 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494737838 530442503 /nfs/dbraw/zinc/44/25/03/530442503.db2.gz WPZIOOZPBFZRPL-KBPBESRZSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494737838 530442501 /nfs/dbraw/zinc/44/25/01/530442501.db2.gz WPZIOOZPBFZRPL-KBPBESRZSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494737845 530442570 /nfs/dbraw/zinc/44/25/70/530442570.db2.gz WPZIOOZPBFZRPL-KGLIPLIRSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494737845 530442569 /nfs/dbraw/zinc/44/25/69/530442569.db2.gz WPZIOOZPBFZRPL-KGLIPLIRSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494737847 530442446 /nfs/dbraw/zinc/44/24/46/530442446.db2.gz WPZIOOZPBFZRPL-UONOGXRCSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494737847 530442445 /nfs/dbraw/zinc/44/24/45/530442445.db2.gz WPZIOOZPBFZRPL-UONOGXRCSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494737848 530442349 /nfs/dbraw/zinc/44/23/49/530442349.db2.gz WPZIOOZPBFZRPL-ZIAGYGMSSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494737848 530442348 /nfs/dbraw/zinc/44/23/48/530442348.db2.gz WPZIOOZPBFZRPL-ZIAGYGMSSA-N 1 2 375.491 -0.056 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 ZINC000494868805 530442796 /nfs/dbraw/zinc/44/27/96/530442796.db2.gz PLQOKLIZNFGFGU-AWEZNQCLSA-N 1 2 394.563 -0.225 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 ZINC000494868805 530442793 /nfs/dbraw/zinc/44/27/93/530442793.db2.gz PLQOKLIZNFGFGU-AWEZNQCLSA-N 1 2 394.563 -0.225 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 ZINC000494868806 530442844 /nfs/dbraw/zinc/44/28/44/530442844.db2.gz PLQOKLIZNFGFGU-CQSZACIVSA-N 1 2 394.563 -0.225 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 ZINC000494868806 530442843 /nfs/dbraw/zinc/44/28/43/530442843.db2.gz PLQOKLIZNFGFGU-CQSZACIVSA-N 1 2 394.563 -0.225 20 0 GBADLO O=C(CCn1cc(Br)ccc1=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000495451830 530443294 /nfs/dbraw/zinc/44/32/94/530443294.db2.gz NLAIYWSLIGLYIF-UHFFFAOYSA-N 1 2 385.262 -0.061 20 0 GBADLO O=C(CCn1cc(Br)ccc1=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000495451830 530443292 /nfs/dbraw/zinc/44/32/92/530443292.db2.gz NLAIYWSLIGLYIF-UHFFFAOYSA-N 1 2 385.262 -0.061 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCCC[N@H+]1CCNC(=O)C1 ZINC000495462497 530443274 /nfs/dbraw/zinc/44/32/74/530443274.db2.gz SGSHQVABUAKXHB-UHFFFAOYSA-N 1 2 394.906 -0.382 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000495462497 530443273 /nfs/dbraw/zinc/44/32/73/530443273.db2.gz SGSHQVABUAKXHB-UHFFFAOYSA-N 1 2 394.906 -0.382 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000495820396 530443396 /nfs/dbraw/zinc/44/33/96/530443396.db2.gz OPZHDDCDLADFHI-AWEZNQCLSA-N 1 2 376.523 -0.237 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000495820396 530443395 /nfs/dbraw/zinc/44/33/95/530443395.db2.gz OPZHDDCDLADFHI-AWEZNQCLSA-N 1 2 376.523 -0.237 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000495820397 530443330 /nfs/dbraw/zinc/44/33/30/530443330.db2.gz OPZHDDCDLADFHI-CQSZACIVSA-N 1 2 376.523 -0.237 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000495820397 530443327 /nfs/dbraw/zinc/44/33/27/530443327.db2.gz OPZHDDCDLADFHI-CQSZACIVSA-N 1 2 376.523 -0.237 20 0 GBADLO CCS(=O)(=O)N1CCC(C(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000496078300 530198896 /nfs/dbraw/zinc/19/88/96/530198896.db2.gz OCPBKHOKEOMPBO-UHFFFAOYSA-N 1 2 377.507 -0.799 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000496093922 530199196 /nfs/dbraw/zinc/19/91/96/530199196.db2.gz OUJDLINOXOJXKS-CYBMUJFWSA-N 1 2 391.515 -0.432 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000496093923 530199121 /nfs/dbraw/zinc/19/91/21/530199121.db2.gz OUJDLINOXOJXKS-ZDUSSCGKSA-N 1 2 391.515 -0.432 20 0 GBADLO CN(CCCNC(=O)C[N@@H+](C)CC(=O)NCc1cccs1)S(C)(=O)=O ZINC000496870501 530443624 /nfs/dbraw/zinc/44/36/24/530443624.db2.gz YBXJOGDGYOQFNP-UHFFFAOYSA-N 1 2 390.531 -0.306 20 0 GBADLO CN(CCCNC(=O)C[N@H+](C)CC(=O)NCc1cccs1)S(C)(=O)=O ZINC000496870501 530443623 /nfs/dbraw/zinc/44/36/23/530443623.db2.gz YBXJOGDGYOQFNP-UHFFFAOYSA-N 1 2 390.531 -0.306 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000497003110 530443644 /nfs/dbraw/zinc/44/36/44/530443644.db2.gz FSCOGZAPBIPRGJ-HNNXBMFYSA-N 1 2 377.507 -0.656 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000497003111 530443509 /nfs/dbraw/zinc/44/35/09/530443509.db2.gz FSCOGZAPBIPRGJ-OAHLLOKOSA-N 1 2 377.507 -0.656 20 0 GBADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000497408308 530145608 /nfs/dbraw/zinc/14/56/08/530145608.db2.gz ONVPYPDLTNVAHL-UHFFFAOYSA-N 1 2 386.396 -0.174 20 0 GBADLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000497445372 530145726 /nfs/dbraw/zinc/14/57/26/530145726.db2.gz QYYZPMNKVVTLGM-AWEZNQCLSA-N 1 2 376.523 -0.283 20 0 GBADLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000497445372 530145722 /nfs/dbraw/zinc/14/57/22/530145722.db2.gz QYYZPMNKVVTLGM-AWEZNQCLSA-N 1 2 376.523 -0.283 20 0 GBADLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000497445379 530145473 /nfs/dbraw/zinc/14/54/73/530145473.db2.gz QYYZPMNKVVTLGM-CQSZACIVSA-N 1 2 376.523 -0.283 20 0 GBADLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000497445379 530145471 /nfs/dbraw/zinc/14/54/71/530145471.db2.gz QYYZPMNKVVTLGM-CQSZACIVSA-N 1 2 376.523 -0.283 20 0 GBADLO COC(=O)CNC(=O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497476771 530145578 /nfs/dbraw/zinc/14/55/78/530145578.db2.gz AQEZHAMCLQWFAM-UHFFFAOYSA-N 1 2 389.396 -0.436 20 0 GBADLO CCCCCOCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498179176 530407691 /nfs/dbraw/zinc/40/76/91/530407691.db2.gz VMGSUDVIVWCVMU-UHFFFAOYSA-N 1 2 376.523 -0.170 20 0 GBADLO COC(=O)CC1CC[NH+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000498813411 530444052 /nfs/dbraw/zinc/44/40/52/530444052.db2.gz WFHNWMNUIFYJIE-GFCCVEGCSA-N 1 2 375.447 -0.726 20 0 GBADLO COC(=O)CC1CC[NH+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000498813412 530444009 /nfs/dbraw/zinc/44/40/09/530444009.db2.gz WFHNWMNUIFYJIE-LBPRGKRZSA-N 1 2 375.447 -0.726 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ncc(S(N)(=O)=O)s2)CC1 ZINC000499409502 530146559 /nfs/dbraw/zinc/14/65/59/530146559.db2.gz VVIJZWQBGRDIGZ-UHFFFAOYSA-N 1 2 380.459 -0.206 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000500044821 530444619 /nfs/dbraw/zinc/44/46/19/530444619.db2.gz UVGINAUPXHMZNM-AWEZNQCLSA-N 1 2 394.563 -0.672 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000500044822 530444784 /nfs/dbraw/zinc/44/47/84/530444784.db2.gz UVGINAUPXHMZNM-CQSZACIVSA-N 1 2 394.563 -0.672 20 0 GBADLO COC1CC[NH+](C(C)(C)CNS(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000500075056 530445167 /nfs/dbraw/zinc/44/51/67/530445167.db2.gz RKHATGMCRQASNV-UHFFFAOYSA-N 1 2 383.536 -0.559 20 0 GBADLO C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000500110363 530158637 /nfs/dbraw/zinc/15/86/37/530158637.db2.gz YCIJZGUGAFZUEQ-UHFFFAOYSA-N 1 2 376.504 -0.580 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000500154644 1073322897 /nfs/dbraw/zinc/32/28/97/1073322897.db2.gz LUBTVJOVLCOIKP-HUUCEWRRSA-N 1 2 380.470 -0.797 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000500154644 1073322888 /nfs/dbraw/zinc/32/28/88/1073322888.db2.gz LUBTVJOVLCOIKP-HUUCEWRRSA-N 1 2 380.470 -0.797 20 0 GBADLO NS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000500161985 530445414 /nfs/dbraw/zinc/44/54/14/530445414.db2.gz ZTYARBJCOYMAQS-UHFFFAOYSA-N 1 2 385.471 -0.436 20 0 GBADLO COc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000500232737 1073328231 /nfs/dbraw/zinc/32/82/31/1073328231.db2.gz SRQLTNDNNHHBOO-GFCCVEGCSA-N 1 2 399.469 -0.438 20 0 GBADLO COc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000500232737 1073328223 /nfs/dbraw/zinc/32/82/23/1073328223.db2.gz SRQLTNDNNHHBOO-GFCCVEGCSA-N 1 2 399.469 -0.438 20 0 GBADLO COc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000500232738 1073328580 /nfs/dbraw/zinc/32/85/80/1073328580.db2.gz SRQLTNDNNHHBOO-LBPRGKRZSA-N 1 2 399.469 -0.438 20 0 GBADLO COc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000500232738 1073328573 /nfs/dbraw/zinc/32/85/73/1073328573.db2.gz SRQLTNDNNHHBOO-LBPRGKRZSA-N 1 2 399.469 -0.438 20 0 GBADLO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000500238006 1073328271 /nfs/dbraw/zinc/32/82/71/1073328271.db2.gz SHVSQKLWMWAMKX-CQSZACIVSA-N 1 2 392.456 -0.474 20 0 GBADLO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000500238443 1073328308 /nfs/dbraw/zinc/32/83/08/1073328308.db2.gz QOPYZCIYLDXTOB-AWEZNQCLSA-N 1 2 392.456 -0.474 20 0 GBADLO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000500238443 1073328305 /nfs/dbraw/zinc/32/83/05/1073328305.db2.gz QOPYZCIYLDXTOB-AWEZNQCLSA-N 1 2 392.456 -0.474 20 0 GBADLO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000500238444 1073328366 /nfs/dbraw/zinc/32/83/66/1073328366.db2.gz QOPYZCIYLDXTOB-CQSZACIVSA-N 1 2 392.456 -0.474 20 0 GBADLO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000500238444 1073328357 /nfs/dbraw/zinc/32/83/57/1073328357.db2.gz QOPYZCIYLDXTOB-CQSZACIVSA-N 1 2 392.456 -0.474 20 0 GBADLO COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc(S(C)(=O)=O)c1 ZINC000500241067 1073329142 /nfs/dbraw/zinc/32/91/42/1073329142.db2.gz QBFNZSARJHGBQS-GFCCVEGCSA-N 1 2 399.469 -0.438 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000500246008 1073329695 /nfs/dbraw/zinc/32/96/95/1073329695.db2.gz ISDUNLGIJKKMOV-GFCCVEGCSA-N 1 2 384.458 -0.099 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000500246008 1073329683 /nfs/dbraw/zinc/32/96/83/1073329683.db2.gz ISDUNLGIJKKMOV-GFCCVEGCSA-N 1 2 384.458 -0.099 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000500246009 1073329764 /nfs/dbraw/zinc/32/97/64/1073329764.db2.gz ISDUNLGIJKKMOV-LBPRGKRZSA-N 1 2 384.458 -0.099 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000500246009 1073329755 /nfs/dbraw/zinc/32/97/55/1073329755.db2.gz ISDUNLGIJKKMOV-LBPRGKRZSA-N 1 2 384.458 -0.099 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)OC ZINC000500247607 530445549 /nfs/dbraw/zinc/44/55/49/530445549.db2.gz YWWLEJYVFLPKFC-OBJOEFQTSA-N 1 2 378.495 -0.805 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)OC ZINC000500247607 530445547 /nfs/dbraw/zinc/44/55/47/530445547.db2.gz YWWLEJYVFLPKFC-OBJOEFQTSA-N 1 2 378.495 -0.805 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)OC ZINC000500247610 530445381 /nfs/dbraw/zinc/44/53/81/530445381.db2.gz YWWLEJYVFLPKFC-OUCADQQQSA-N 1 2 378.495 -0.805 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)OC ZINC000500247610 530445378 /nfs/dbraw/zinc/44/53/78/530445378.db2.gz YWWLEJYVFLPKFC-OUCADQQQSA-N 1 2 378.495 -0.805 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)OC ZINC000500247616 530445425 /nfs/dbraw/zinc/44/54/25/530445425.db2.gz YWWLEJYVFLPKFC-SCRDCRAPSA-N 1 2 378.495 -0.805 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)OC ZINC000500247616 530445423 /nfs/dbraw/zinc/44/54/23/530445423.db2.gz YWWLEJYVFLPKFC-SCRDCRAPSA-N 1 2 378.495 -0.805 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)OC ZINC000500247618 530445478 /nfs/dbraw/zinc/44/54/78/530445478.db2.gz YWWLEJYVFLPKFC-SGMGOOAPSA-N 1 2 378.495 -0.805 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)OC ZINC000500247618 530445477 /nfs/dbraw/zinc/44/54/77/530445477.db2.gz YWWLEJYVFLPKFC-SGMGOOAPSA-N 1 2 378.495 -0.805 20 0 GBADLO COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500262345 1073330584 /nfs/dbraw/zinc/33/05/84/1073330584.db2.gz QFHWTSLMOXEBMX-AWEZNQCLSA-N 1 2 384.502 -0.141 20 0 GBADLO COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500262345 1073330573 /nfs/dbraw/zinc/33/05/73/1073330573.db2.gz QFHWTSLMOXEBMX-AWEZNQCLSA-N 1 2 384.502 -0.141 20 0 GBADLO COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500262346 1073330267 /nfs/dbraw/zinc/33/02/67/1073330267.db2.gz QFHWTSLMOXEBMX-CQSZACIVSA-N 1 2 384.502 -0.141 20 0 GBADLO COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500262346 1073330256 /nfs/dbraw/zinc/33/02/56/1073330256.db2.gz QFHWTSLMOXEBMX-CQSZACIVSA-N 1 2 384.502 -0.141 20 0 GBADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000500266348 1073332429 /nfs/dbraw/zinc/33/24/29/1073332429.db2.gz MQERJJBUYMCVTP-AWEZNQCLSA-N 1 2 398.467 -0.238 20 0 GBADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000500266349 1073332095 /nfs/dbraw/zinc/33/20/95/1073332095.db2.gz MQERJJBUYMCVTP-CQSZACIVSA-N 1 2 398.467 -0.238 20 0 GBADLO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000500270904 1073332110 /nfs/dbraw/zinc/33/21/10/1073332110.db2.gz WLLCUEHZPBMRSW-AWEZNQCLSA-N 1 2 393.469 -0.121 20 0 GBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000500270912 1073332865 /nfs/dbraw/zinc/33/28/65/1073332865.db2.gz WLLCUEHZPBMRSW-CQSZACIVSA-N 1 2 393.469 -0.121 20 0 GBADLO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000500279852 1073333243 /nfs/dbraw/zinc/33/32/43/1073333243.db2.gz SXMIBXRDOBIBPW-CABCVRRESA-N 1 2 376.413 -0.113 20 0 GBADLO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000500279853 1073332763 /nfs/dbraw/zinc/33/27/63/1073332763.db2.gz SXMIBXRDOBIBPW-GJZGRUSLSA-N 1 2 376.413 -0.113 20 0 GBADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000500279854 1073333286 /nfs/dbraw/zinc/33/32/86/1073333286.db2.gz SXMIBXRDOBIBPW-HUUCEWRRSA-N 1 2 376.413 -0.113 20 0 GBADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000500279855 1073333257 /nfs/dbraw/zinc/33/32/57/1073333257.db2.gz SXMIBXRDOBIBPW-LSDHHAIUSA-N 1 2 376.413 -0.113 20 0 GBADLO Cn1ccnc(N2CCN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC2)c1=O ZINC000500280110 1073332628 /nfs/dbraw/zinc/33/26/28/1073332628.db2.gz NHUXUEVDYQKEIF-UHFFFAOYSA-N 1 2 395.423 -0.607 20 0 GBADLO COC(=O)C1(NC(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CCCCC1 ZINC000500283480 1073333663 /nfs/dbraw/zinc/33/36/63/1073333663.db2.gz BBPFCLXJHXEKOL-CYBMUJFWSA-N 1 2 390.506 -0.516 20 0 GBADLO COC(=O)C1(NC(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CCCCC1 ZINC000500283480 1073333657 /nfs/dbraw/zinc/33/36/57/1073333657.db2.gz BBPFCLXJHXEKOL-CYBMUJFWSA-N 1 2 390.506 -0.516 20 0 GBADLO COC(=O)C1(NC(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CCCCC1 ZINC000500283486 1073333539 /nfs/dbraw/zinc/33/35/39/1073333539.db2.gz BBPFCLXJHXEKOL-ZDUSSCGKSA-N 1 2 390.506 -0.516 20 0 GBADLO COC(=O)C1(NC(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CCCCC1 ZINC000500283486 1073333531 /nfs/dbraw/zinc/33/35/31/1073333531.db2.gz BBPFCLXJHXEKOL-ZDUSSCGKSA-N 1 2 390.506 -0.516 20 0 GBADLO C[C@](O)(CNc1nc(N2CCOCC2)nc(NC[C@@](C)(O)C2CC2)[nH+]1)C1CC1 ZINC000500293432 1073335663 /nfs/dbraw/zinc/33/56/63/1073335663.db2.gz STZVXCQPIDQMNH-KDURUIRLSA-N 1 2 392.504 -0.302 20 0 GBADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000500295236 1073335543 /nfs/dbraw/zinc/33/55/43/1073335543.db2.gz VSRRHVCSBFNAHP-KBPBESRZSA-N 1 2 389.522 -0.991 20 0 GBADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000500295236 1073335540 /nfs/dbraw/zinc/33/55/40/1073335540.db2.gz VSRRHVCSBFNAHP-KBPBESRZSA-N 1 2 389.522 -0.991 20 0 GBADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000500295247 1073335377 /nfs/dbraw/zinc/33/53/77/1073335377.db2.gz VSRRHVCSBFNAHP-KGLIPLIRSA-N 1 2 389.522 -0.991 20 0 GBADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000500295247 1073335375 /nfs/dbraw/zinc/33/53/75/1073335375.db2.gz VSRRHVCSBFNAHP-KGLIPLIRSA-N 1 2 389.522 -0.991 20 0 GBADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000500295250 1073335615 /nfs/dbraw/zinc/33/56/15/1073335615.db2.gz VSRRHVCSBFNAHP-UONOGXRCSA-N 1 2 389.522 -0.991 20 0 GBADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000500295250 1073335608 /nfs/dbraw/zinc/33/56/08/1073335608.db2.gz VSRRHVCSBFNAHP-UONOGXRCSA-N 1 2 389.522 -0.991 20 0 GBADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000500295252 1073335327 /nfs/dbraw/zinc/33/53/27/1073335327.db2.gz VSRRHVCSBFNAHP-ZIAGYGMSSA-N 1 2 389.522 -0.991 20 0 GBADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)N1CCCCC1 ZINC000500295252 1073335319 /nfs/dbraw/zinc/33/53/19/1073335319.db2.gz VSRRHVCSBFNAHP-ZIAGYGMSSA-N 1 2 389.522 -0.991 20 0 GBADLO Cc1noc(CN2CCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)n1 ZINC000500295895 1073335411 /nfs/dbraw/zinc/33/54/11/1073335411.db2.gz YPTNIVXXEBVCSR-UHFFFAOYSA-N 1 2 380.493 -0.277 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000500299394 1073336319 /nfs/dbraw/zinc/33/63/19/1073336319.db2.gz BHESUADOMAQRMY-CYBMUJFWSA-N 1 2 379.442 -0.509 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000500299401 1073336273 /nfs/dbraw/zinc/33/62/73/1073336273.db2.gz BHESUADOMAQRMY-ZDUSSCGKSA-N 1 2 379.442 -0.509 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000500309595 1073337971 /nfs/dbraw/zinc/33/79/71/1073337971.db2.gz CBLLJLMTRZTSQV-UHFFFAOYSA-N 1 2 393.492 -0.813 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000500309595 1073337962 /nfs/dbraw/zinc/33/79/62/1073337962.db2.gz CBLLJLMTRZTSQV-UHFFFAOYSA-N 1 2 393.492 -0.813 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000500316472 1073338649 /nfs/dbraw/zinc/33/86/49/1073338649.db2.gz MZPFCFWBSGOICP-DZGCQCFKSA-N 1 2 382.486 -0.389 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000500316472 1073338647 /nfs/dbraw/zinc/33/86/47/1073338647.db2.gz MZPFCFWBSGOICP-DZGCQCFKSA-N 1 2 382.486 -0.389 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000500316473 1073338602 /nfs/dbraw/zinc/33/86/02/1073338602.db2.gz MZPFCFWBSGOICP-HIFRSBDPSA-N 1 2 382.486 -0.389 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000500316473 1073338600 /nfs/dbraw/zinc/33/86/00/1073338600.db2.gz MZPFCFWBSGOICP-HIFRSBDPSA-N 1 2 382.486 -0.389 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000500316474 1073338495 /nfs/dbraw/zinc/33/84/95/1073338495.db2.gz MZPFCFWBSGOICP-UKRRQHHQSA-N 1 2 382.486 -0.389 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000500316474 1073338489 /nfs/dbraw/zinc/33/84/89/1073338489.db2.gz MZPFCFWBSGOICP-UKRRQHHQSA-N 1 2 382.486 -0.389 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000500316475 1073338407 /nfs/dbraw/zinc/33/84/07/1073338407.db2.gz MZPFCFWBSGOICP-ZFWWWQNUSA-N 1 2 382.486 -0.389 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000500316475 1073338402 /nfs/dbraw/zinc/33/84/02/1073338402.db2.gz MZPFCFWBSGOICP-ZFWWWQNUSA-N 1 2 382.486 -0.389 20 0 GBADLO COC(=O)[C@]12CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)C[C@H]1COCC2 ZINC000500321654 1073919995 /nfs/dbraw/zinc/91/99/95/1073919995.db2.gz GJGZAADBPCHOGH-IFXJQAMLSA-N 1 2 386.408 -0.011 20 0 GBADLO COC[C@@H](C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000500326320 1073340116 /nfs/dbraw/zinc/34/01/16/1073340116.db2.gz GRXFIMVIGCBACI-CABCVRRESA-N 1 2 379.461 -0.024 20 0 GBADLO COC[C@@H](C(N)=O)N(C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000500326320 1073340110 /nfs/dbraw/zinc/34/01/10/1073340110.db2.gz GRXFIMVIGCBACI-CABCVRRESA-N 1 2 379.461 -0.024 20 0 GBADLO COC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000500326321 1073339999 /nfs/dbraw/zinc/33/99/99/1073339999.db2.gz GRXFIMVIGCBACI-GJZGRUSLSA-N 1 2 379.461 -0.024 20 0 GBADLO COC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000500326321 1073339998 /nfs/dbraw/zinc/33/99/98/1073339998.db2.gz GRXFIMVIGCBACI-GJZGRUSLSA-N 1 2 379.461 -0.024 20 0 GBADLO CCC(CC)CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000500335559 530445510 /nfs/dbraw/zinc/44/55/10/530445510.db2.gz YSDMBLOJHMPQAA-UHFFFAOYSA-N 1 2 396.579 -0.138 20 0 GBADLO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)N2CCS(=O)(=O)CC2)o1 ZINC000500347062 530445677 /nfs/dbraw/zinc/44/56/77/530445677.db2.gz YYKHNKJIMNNSLN-UHFFFAOYSA-N 1 2 379.504 -0.073 20 0 GBADLO C[NH+](C)[C@H](CNS(=O)(=O)N1CCS(=O)(=O)CC1)Cc1ccccc1 ZINC000500347079 530445850 /nfs/dbraw/zinc/44/58/50/530445850.db2.gz ZERDYJVRELUGOA-HNNXBMFYSA-N 1 2 375.516 -0.276 20 0 GBADLO C[NH+](C)[C@@H](CNS(=O)(=O)N1CCS(=O)(=O)CC1)Cc1ccccc1 ZINC000500347080 530445917 /nfs/dbraw/zinc/44/59/17/530445917.db2.gz ZERDYJVRELUGOA-OAHLLOKOSA-N 1 2 375.516 -0.276 20 0 GBADLO CCN(CC)c1ccc(CNS(=O)(=O)N2CCS(=O)(=O)CC2)c[nH+]1 ZINC000500366088 530445740 /nfs/dbraw/zinc/44/57/40/530445740.db2.gz WIGSHMIHNOSXIV-UHFFFAOYSA-N 1 2 376.504 -0.007 20 0 GBADLO O=S(=O)(NCC1([NH+]2CCSCC2)CCCC1)N1CCS(=O)(=O)CC1 ZINC000500368400 530445766 /nfs/dbraw/zinc/44/57/66/530445766.db2.gz UBJDQACGNLOBFL-UHFFFAOYSA-N 1 2 397.588 -0.087 20 0 GBADLO O=S(=O)(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCS(=O)(=O)CC1 ZINC000500371000 530445938 /nfs/dbraw/zinc/44/59/38/530445938.db2.gz CMBKVNBTWNIZRX-UHFFFAOYSA-N 1 2 384.483 -0.004 20 0 GBADLO COC[C@@H](C(N)=O)N(C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000500425504 1073351803 /nfs/dbraw/zinc/35/18/03/1073351803.db2.gz TUVPGTMODBOZJA-AWEZNQCLSA-N 1 2 377.445 -0.531 20 0 GBADLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000500488324 1073706652 /nfs/dbraw/zinc/70/66/52/1073706652.db2.gz JYDANOXPRNABAX-HNNXBMFYSA-N 1 2 396.513 -0.017 20 0 GBADLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000500488324 1073706644 /nfs/dbraw/zinc/70/66/44/1073706644.db2.gz JYDANOXPRNABAX-HNNXBMFYSA-N 1 2 396.513 -0.017 20 0 GBADLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000500488328 1073706889 /nfs/dbraw/zinc/70/68/89/1073706889.db2.gz JYDANOXPRNABAX-OAHLLOKOSA-N 1 2 396.513 -0.017 20 0 GBADLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000500488328 1073706882 /nfs/dbraw/zinc/70/68/82/1073706882.db2.gz JYDANOXPRNABAX-OAHLLOKOSA-N 1 2 396.513 -0.017 20 0 GBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000500488666 1073706906 /nfs/dbraw/zinc/70/69/06/1073706906.db2.gz HRSYPRVOZQWJRB-HNNXBMFYSA-N 1 2 386.474 -0.146 20 0 GBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000500488666 1073706903 /nfs/dbraw/zinc/70/69/03/1073706903.db2.gz HRSYPRVOZQWJRB-HNNXBMFYSA-N 1 2 386.474 -0.146 20 0 GBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000500488675 1073706541 /nfs/dbraw/zinc/70/65/41/1073706541.db2.gz HRSYPRVOZQWJRB-OAHLLOKOSA-N 1 2 386.474 -0.146 20 0 GBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000500488675 1073706534 /nfs/dbraw/zinc/70/65/34/1073706534.db2.gz HRSYPRVOZQWJRB-OAHLLOKOSA-N 1 2 386.474 -0.146 20 0 GBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000500523422 1073711343 /nfs/dbraw/zinc/71/13/43/1073711343.db2.gz UDNKVOZRYOROCV-HNNXBMFYSA-N 1 2 386.474 -0.289 20 0 GBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000500523422 1073711335 /nfs/dbraw/zinc/71/13/35/1073711335.db2.gz UDNKVOZRYOROCV-HNNXBMFYSA-N 1 2 386.474 -0.289 20 0 GBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000500523423 1073711274 /nfs/dbraw/zinc/71/12/74/1073711274.db2.gz UDNKVOZRYOROCV-OAHLLOKOSA-N 1 2 386.474 -0.289 20 0 GBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000500523423 1073711267 /nfs/dbraw/zinc/71/12/67/1073711267.db2.gz UDNKVOZRYOROCV-OAHLLOKOSA-N 1 2 386.474 -0.289 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000500708070 1073747636 /nfs/dbraw/zinc/74/76/36/1073747636.db2.gz CANRTGYRUMIECE-HZPDHXFCSA-N 1 2 375.473 -0.282 20 0 GBADLO COCC[C@@H](CO)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000500725481 1073752936 /nfs/dbraw/zinc/75/29/36/1073752936.db2.gz PZYAUEZXNODDFE-HNNXBMFYSA-N 1 2 379.461 -0.183 20 0 GBADLO COCC[C@H](CO)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000500725491 1073753543 /nfs/dbraw/zinc/75/35/43/1073753543.db2.gz PZYAUEZXNODDFE-OAHLLOKOSA-N 1 2 379.461 -0.183 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000500782596 530446037 /nfs/dbraw/zinc/44/60/37/530446037.db2.gz WEHMHGKMGTXNGW-KBPBESRZSA-N 1 2 380.580 -0.201 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000500782597 530446182 /nfs/dbraw/zinc/44/61/82/530446182.db2.gz WEHMHGKMGTXNGW-KGLIPLIRSA-N 1 2 380.580 -0.201 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000500782598 530446227 /nfs/dbraw/zinc/44/62/27/530446227.db2.gz WEHMHGKMGTXNGW-UONOGXRCSA-N 1 2 380.580 -0.201 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000500782599 530145766 /nfs/dbraw/zinc/14/57/66/530145766.db2.gz WEHMHGKMGTXNGW-ZIAGYGMSSA-N 1 2 380.580 -0.201 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000500809786 1073788490 /nfs/dbraw/zinc/78/84/90/1073788490.db2.gz VWMPARHUFHHGOY-IBGZPJMESA-N 1 2 397.439 -0.375 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000500809787 1073787978 /nfs/dbraw/zinc/78/79/78/1073787978.db2.gz VWMPARHUFHHGOY-LJQANCHMSA-N 1 2 397.439 -0.375 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 ZINC000500924577 1073901847 /nfs/dbraw/zinc/90/18/47/1073901847.db2.gz VEBNDIZXGMIFTB-UHFFFAOYSA-N 1 2 382.486 -0.241 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 ZINC000500924577 1073901840 /nfs/dbraw/zinc/90/18/40/1073901840.db2.gz VEBNDIZXGMIFTB-UHFFFAOYSA-N 1 2 382.486 -0.241 20 0 GBADLO O=C([C@@H]1COCCN1CC(F)F)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000501000235 1072163395 /nfs/dbraw/zinc/16/33/95/1072163395.db2.gz QXSJVVZIQNZPTK-CABCVRRESA-N 1 2 377.432 -0.098 20 0 GBADLO O=C([C@@H]1COCCN1CC(F)F)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000501000238 1072163291 /nfs/dbraw/zinc/16/32/91/1072163291.db2.gz QXSJVVZIQNZPTK-GJZGRUSLSA-N 1 2 377.432 -0.098 20 0 GBADLO O=C([C@H]1COCCN1CC(F)F)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000501000240 1072163478 /nfs/dbraw/zinc/16/34/78/1072163478.db2.gz QXSJVVZIQNZPTK-HUUCEWRRSA-N 1 2 377.432 -0.098 20 0 GBADLO O=C([C@H]1COCCN1CC(F)F)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000501000242 1072163275 /nfs/dbraw/zinc/16/32/75/1072163275.db2.gz QXSJVVZIQNZPTK-LSDHHAIUSA-N 1 2 377.432 -0.098 20 0 GBADLO COC(=O)CCN1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000501042048 1072169245 /nfs/dbraw/zinc/16/92/45/1072169245.db2.gz UYSQDRHSMKEPRT-CABCVRRESA-N 1 2 382.461 -0.343 20 0 GBADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000501042049 1072169219 /nfs/dbraw/zinc/16/92/19/1072169219.db2.gz UYSQDRHSMKEPRT-HUUCEWRRSA-N 1 2 382.461 -0.343 20 0 GBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000501046976 1072170379 /nfs/dbraw/zinc/17/03/79/1072170379.db2.gz RVVIBBAEVJUYJC-CVEARBPZSA-N 1 2 395.504 -0.428 20 0 GBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000501046977 1072170050 /nfs/dbraw/zinc/17/00/50/1072170050.db2.gz RVVIBBAEVJUYJC-HOTGVXAUSA-N 1 2 395.504 -0.428 20 0 GBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000501046978 1072170180 /nfs/dbraw/zinc/17/01/80/1072170180.db2.gz RVVIBBAEVJUYJC-HZPDHXFCSA-N 1 2 395.504 -0.428 20 0 GBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCN(CCC(=O)OC)C3=O)C2)CC1 ZINC000501046979 1072170120 /nfs/dbraw/zinc/17/01/20/1072170120.db2.gz RVVIBBAEVJUYJC-JKSUJKDBSA-N 1 2 395.504 -0.428 20 0 GBADLO CS(=O)(=O)c1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cs1 ZINC000501210312 530446689 /nfs/dbraw/zinc/44/66/89/530446689.db2.gz RDLOYAWBWTWUMS-UHFFFAOYSA-N 1 2 375.472 -0.670 20 0 GBADLO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC000501550563 1072258916 /nfs/dbraw/zinc/25/89/16/1072258916.db2.gz QLNIFKYZWHKDGQ-QWHCGFSZSA-N 1 2 398.423 -0.201 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)C[N@H+](C)CC(=O)NC(C)C)s1 ZINC000501699113 530447165 /nfs/dbraw/zinc/44/71/65/530447165.db2.gz PHMXCTKIBSDVNE-UHFFFAOYSA-N 1 2 390.531 -0.093 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C)s1 ZINC000501699113 530447163 /nfs/dbraw/zinc/44/71/63/530447163.db2.gz PHMXCTKIBSDVNE-UHFFFAOYSA-N 1 2 390.531 -0.093 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000501789783 530447104 /nfs/dbraw/zinc/44/71/04/530447104.db2.gz BTZURMHXSUOJEC-UHFFFAOYSA-N 1 2 390.531 -0.059 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000501789783 530447101 /nfs/dbraw/zinc/44/71/01/530447101.db2.gz BTZURMHXSUOJEC-UHFFFAOYSA-N 1 2 390.531 -0.059 20 0 GBADLO O=C(CC1(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCCC1)N1CCOCC1 ZINC000501841100 1072285342 /nfs/dbraw/zinc/28/53/42/1072285342.db2.gz LXDLHFZFWKMLLP-INIZCTEOSA-N 1 2 383.489 -0.395 20 0 GBADLO O=C(CC1(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CCCC1)N1CCOCC1 ZINC000501841101 1072285363 /nfs/dbraw/zinc/28/53/63/1072285363.db2.gz LXDLHFZFWKMLLP-MRXNPFEDSA-N 1 2 383.489 -0.395 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(C3CC3)C(=O)C2)CC1 ZINC000501851159 1072285425 /nfs/dbraw/zinc/28/54/25/1072285425.db2.gz VBLYKHBYQRTGOQ-UHFFFAOYSA-N 1 2 398.471 -0.682 20 0 GBADLO NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000501855103 1072285583 /nfs/dbraw/zinc/28/55/83/1072285583.db2.gz GRMARSSQQIMMPQ-PBHICJAKSA-N 1 2 389.456 -0.443 20 0 GBADLO NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000501855104 1072285299 /nfs/dbraw/zinc/28/52/99/1072285299.db2.gz GRMARSSQQIMMPQ-RHSMWYFYSA-N 1 2 389.456 -0.443 20 0 GBADLO NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000501855105 1072285143 /nfs/dbraw/zinc/28/51/43/1072285143.db2.gz GRMARSSQQIMMPQ-WMLDXEAASA-N 1 2 389.456 -0.443 20 0 GBADLO NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000501855106 1072285466 /nfs/dbraw/zinc/28/54/66/1072285466.db2.gz GRMARSSQQIMMPQ-YOEHRIQHSA-N 1 2 389.456 -0.443 20 0 GBADLO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H](O)C[NH+]3CCOCC3)cnc21 ZINC000501866163 1072286865 /nfs/dbraw/zinc/28/68/65/1072286865.db2.gz XBJMMLSPCCYOFH-CYBMUJFWSA-N 1 2 391.428 -0.670 20 0 GBADLO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H](O)C[NH+]3CCOCC3)cnc21 ZINC000501866164 1072286703 /nfs/dbraw/zinc/28/67/03/1072286703.db2.gz XBJMMLSPCCYOFH-ZDUSSCGKSA-N 1 2 391.428 -0.670 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000501878312 1072287910 /nfs/dbraw/zinc/28/79/10/1072287910.db2.gz ZUKUFZHGCFJDQB-UHFFFAOYSA-N 1 2 394.497 -0.311 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000501878312 1072287905 /nfs/dbraw/zinc/28/79/05/1072287905.db2.gz ZUKUFZHGCFJDQB-UHFFFAOYSA-N 1 2 394.497 -0.311 20 0 GBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000501899055 1072288756 /nfs/dbraw/zinc/28/87/56/1072288756.db2.gz LIDYYGKSEHPCCJ-GFCCVEGCSA-N 1 2 378.433 -0.423 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000501899056 1072288883 /nfs/dbraw/zinc/28/88/83/1072288883.db2.gz LIDYYGKSEHPCCJ-LBPRGKRZSA-N 1 2 378.433 -0.423 20 0 GBADLO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000502017305 1072297682 /nfs/dbraw/zinc/29/76/82/1072297682.db2.gz MIXKXDOMDCQWAV-CABCVRRESA-N 1 2 377.445 -0.256 20 0 GBADLO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000502017306 1072297618 /nfs/dbraw/zinc/29/76/18/1072297618.db2.gz MIXKXDOMDCQWAV-GJZGRUSLSA-N 1 2 377.445 -0.256 20 0 GBADLO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000502017307 1072298024 /nfs/dbraw/zinc/29/80/24/1072298024.db2.gz MIXKXDOMDCQWAV-HUUCEWRRSA-N 1 2 377.445 -0.256 20 0 GBADLO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000502017308 1072297728 /nfs/dbraw/zinc/29/77/28/1072297728.db2.gz MIXKXDOMDCQWAV-LSDHHAIUSA-N 1 2 377.445 -0.256 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000502099747 530447371 /nfs/dbraw/zinc/44/73/71/530447371.db2.gz SNBFIYUIWNHYKZ-UHFFFAOYSA-N 1 2 376.504 -0.401 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000502099747 530447370 /nfs/dbraw/zinc/44/73/70/530447370.db2.gz SNBFIYUIWNHYKZ-UHFFFAOYSA-N 1 2 376.504 -0.401 20 0 GBADLO CCOC(=O)Cc1nnc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)s1 ZINC000502108804 1072302514 /nfs/dbraw/zinc/30/25/14/1072302514.db2.gz KJCQJZQTYAOQAU-LLVKDONJSA-N 1 2 387.462 -0.200 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000502131076 1072303014 /nfs/dbraw/zinc/30/30/14/1072303014.db2.gz ZIQMCPXNESOKQX-AWEZNQCLSA-N 1 2 387.444 -0.370 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000502131078 1072303216 /nfs/dbraw/zinc/30/32/16/1072303216.db2.gz ZIQMCPXNESOKQX-CQSZACIVSA-N 1 2 387.444 -0.370 20 0 GBADLO CC(C)(CNC(=O)NCCS(=O)(=O)N1CCSCC1)[NH+]1CCOCC1 ZINC000502151446 530447516 /nfs/dbraw/zinc/44/75/16/530447516.db2.gz BPOOORNFLNPXDF-UHFFFAOYSA-N 1 2 394.563 -0.225 20 0 GBADLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCCCNS(C)(=O)=O ZINC000502195837 530447567 /nfs/dbraw/zinc/44/75/67/530447567.db2.gz FLWLNVBYDURDDO-UHFFFAOYSA-N 1 2 391.515 -0.309 20 0 GBADLO CCS(=O)(=O)NCCNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000502197005 530447539 /nfs/dbraw/zinc/44/75/39/530447539.db2.gz MBOBPAFYFSMRQF-UHFFFAOYSA-N 1 2 391.515 -0.309 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000502198201 1072305618 /nfs/dbraw/zinc/30/56/18/1072305618.db2.gz REYKNOFMLLXNRN-UHFFFAOYSA-N 1 2 383.474 -0.263 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000502198201 1072305616 /nfs/dbraw/zinc/30/56/16/1072305616.db2.gz REYKNOFMLLXNRN-UHFFFAOYSA-N 1 2 383.474 -0.263 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C[C@@H]1[NH+]1CCOCC1 ZINC000502232524 1072309281 /nfs/dbraw/zinc/30/92/81/1072309281.db2.gz LPQKGRWAIHDGFY-FPCVCCKLSA-N 1 2 378.473 -0.565 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C[C@H]1[NH+]1CCOCC1 ZINC000502232525 1072309641 /nfs/dbraw/zinc/30/96/41/1072309641.db2.gz LPQKGRWAIHDGFY-KLHDSHLOSA-N 1 2 378.473 -0.565 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C[C@H]1[NH+]1CCOCC1 ZINC000502232526 1072309583 /nfs/dbraw/zinc/30/95/83/1072309583.db2.gz LPQKGRWAIHDGFY-LVQVYYBASA-N 1 2 378.473 -0.565 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C[C@@H]1[NH+]1CCOCC1 ZINC000502232527 1072309264 /nfs/dbraw/zinc/30/92/64/1072309264.db2.gz LPQKGRWAIHDGFY-WCVJEAGWSA-N 1 2 378.473 -0.565 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502233558 1072310113 /nfs/dbraw/zinc/31/01/13/1072310113.db2.gz NUMRVRYUOPYTIB-CABCVRRESA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502233558 1072310100 /nfs/dbraw/zinc/31/01/00/1072310100.db2.gz NUMRVRYUOPYTIB-CABCVRRESA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502233559 1072310208 /nfs/dbraw/zinc/31/02/08/1072310208.db2.gz NUMRVRYUOPYTIB-GJZGRUSLSA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502233559 1072310200 /nfs/dbraw/zinc/31/02/00/1072310200.db2.gz NUMRVRYUOPYTIB-GJZGRUSLSA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502233560 1072310257 /nfs/dbraw/zinc/31/02/57/1072310257.db2.gz NUMRVRYUOPYTIB-HUUCEWRRSA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502233560 1072310243 /nfs/dbraw/zinc/31/02/43/1072310243.db2.gz NUMRVRYUOPYTIB-HUUCEWRRSA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502233561 1072310404 /nfs/dbraw/zinc/31/04/04/1072310404.db2.gz NUMRVRYUOPYTIB-LSDHHAIUSA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502233561 1072310399 /nfs/dbraw/zinc/31/03/99/1072310399.db2.gz NUMRVRYUOPYTIB-LSDHHAIUSA-N 1 2 380.489 -0.175 20 0 GBADLO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000502261856 1072312719 /nfs/dbraw/zinc/31/27/19/1072312719.db2.gz UPKJTTVHTDQTOB-BBWFWOEESA-N 1 2 392.500 -0.031 20 0 GBADLO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000502261857 1072312829 /nfs/dbraw/zinc/31/28/29/1072312829.db2.gz UPKJTTVHTDQTOB-BRWVUGGUSA-N 1 2 392.500 -0.031 20 0 GBADLO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000502261858 1072312625 /nfs/dbraw/zinc/31/26/25/1072312625.db2.gz UPKJTTVHTDQTOB-GVDBMIGSSA-N 1 2 392.500 -0.031 20 0 GBADLO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000502261859 1072312463 /nfs/dbraw/zinc/31/24/63/1072312463.db2.gz UPKJTTVHTDQTOB-ZACQAIPSSA-N 1 2 392.500 -0.031 20 0 GBADLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCCNS(C)(=O)=O ZINC000502261901 530447991 /nfs/dbraw/zinc/44/79/91/530447991.db2.gz XOEFZUMKVWYODK-UHFFFAOYSA-N 1 2 377.488 -0.699 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)cc[nH+]1 ZINC000502263452 1072310436 /nfs/dbraw/zinc/31/04/36/1072310436.db2.gz ABYPCWGDWJLSAL-CABCVRRESA-N 1 2 386.456 -0.297 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)cc[nH+]1 ZINC000502263453 1072310173 /nfs/dbraw/zinc/31/01/73/1072310173.db2.gz ABYPCWGDWJLSAL-GJZGRUSLSA-N 1 2 386.456 -0.297 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)cc[nH+]1 ZINC000502263454 1072310425 /nfs/dbraw/zinc/31/04/25/1072310425.db2.gz ABYPCWGDWJLSAL-HUUCEWRRSA-N 1 2 386.456 -0.297 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)cc[nH+]1 ZINC000502263455 1072310383 /nfs/dbraw/zinc/31/03/83/1072310383.db2.gz ABYPCWGDWJLSAL-LSDHHAIUSA-N 1 2 386.456 -0.297 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C[C@@H]1[NH+]1CCOCC1 ZINC000502264816 1072310142 /nfs/dbraw/zinc/31/01/42/1072310142.db2.gz DLTZDWOMXVESLC-NCOADZHNSA-N 1 2 392.500 -0.175 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C[C@H]1[NH+]1CCOCC1 ZINC000502264817 1072309954 /nfs/dbraw/zinc/30/99/54/1072309954.db2.gz DLTZDWOMXVESLC-QBPKDAKJSA-N 1 2 392.500 -0.175 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C[C@@H]1[NH+]1CCOCC1 ZINC000502264818 1072310279 /nfs/dbraw/zinc/31/02/79/1072310279.db2.gz DLTZDWOMXVESLC-VQHPVUNQSA-N 1 2 392.500 -0.175 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C[C@H]1[NH+]1CCOCC1 ZINC000502264819 1072310467 /nfs/dbraw/zinc/31/04/67/1072310467.db2.gz DLTZDWOMXVESLC-WCXIOVBPSA-N 1 2 392.500 -0.175 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)C[C@H](C)O1 ZINC000502293935 1072314733 /nfs/dbraw/zinc/31/47/33/1072314733.db2.gz UFZOXDQCBJLABR-FZKCQIBNSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)C[C@H](C)O1 ZINC000502293935 1072314722 /nfs/dbraw/zinc/31/47/22/1072314722.db2.gz UFZOXDQCBJLABR-FZKCQIBNSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C[C@H](C)O1 ZINC000502293936 1072314510 /nfs/dbraw/zinc/31/45/10/1072314510.db2.gz UFZOXDQCBJLABR-QKPAOTATSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C[C@H](C)O1 ZINC000502293936 1072314501 /nfs/dbraw/zinc/31/45/01/1072314501.db2.gz UFZOXDQCBJLABR-QKPAOTATSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C[C@H](C)O1 ZINC000502293937 1072314338 /nfs/dbraw/zinc/31/43/38/1072314338.db2.gz UFZOXDQCBJLABR-QXSJWSMHSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C[C@H](C)O1 ZINC000502293937 1072314330 /nfs/dbraw/zinc/31/43/30/1072314330.db2.gz UFZOXDQCBJLABR-QXSJWSMHSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)C[C@H](C)O1 ZINC000502293938 1072314885 /nfs/dbraw/zinc/31/48/85/1072314885.db2.gz UFZOXDQCBJLABR-XUWVNRHRSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)C[C@H](C)O1 ZINC000502293938 1072314877 /nfs/dbraw/zinc/31/48/77/1072314877.db2.gz UFZOXDQCBJLABR-XUWVNRHRSA-N 1 2 380.489 -0.176 20 0 GBADLO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000502294388 1072315716 /nfs/dbraw/zinc/31/57/16/1072315716.db2.gz VHCKXPNWPVDKID-QLFBSQMISA-N 1 2 385.461 -0.608 20 0 GBADLO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000502294388 1072315710 /nfs/dbraw/zinc/31/57/10/1072315710.db2.gz VHCKXPNWPVDKID-QLFBSQMISA-N 1 2 385.461 -0.608 20 0 GBADLO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000502294389 1072315750 /nfs/dbraw/zinc/31/57/50/1072315750.db2.gz VHCKXPNWPVDKID-RBSFLKMASA-N 1 2 385.461 -0.608 20 0 GBADLO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000502294389 1072315740 /nfs/dbraw/zinc/31/57/40/1072315740.db2.gz VHCKXPNWPVDKID-RBSFLKMASA-N 1 2 385.461 -0.608 20 0 GBADLO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000502294390 1072315637 /nfs/dbraw/zinc/31/56/37/1072315637.db2.gz VHCKXPNWPVDKID-RRFJBIMHSA-N 1 2 385.461 -0.608 20 0 GBADLO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000502294390 1072315630 /nfs/dbraw/zinc/31/56/30/1072315630.db2.gz VHCKXPNWPVDKID-RRFJBIMHSA-N 1 2 385.461 -0.608 20 0 GBADLO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000502294391 1072315394 /nfs/dbraw/zinc/31/53/94/1072315394.db2.gz VHCKXPNWPVDKID-SOUVJXGZSA-N 1 2 385.461 -0.608 20 0 GBADLO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000502294391 1072315381 /nfs/dbraw/zinc/31/53/81/1072315381.db2.gz VHCKXPNWPVDKID-SOUVJXGZSA-N 1 2 385.461 -0.608 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502294620 1072315667 /nfs/dbraw/zinc/31/56/67/1072315667.db2.gz MBFQDEQJCFXQJJ-CVEARBPZSA-N 1 2 380.489 -0.175 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502294621 1072315346 /nfs/dbraw/zinc/31/53/46/1072315346.db2.gz MBFQDEQJCFXQJJ-HOTGVXAUSA-N 1 2 380.489 -0.175 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502294622 1072316012 /nfs/dbraw/zinc/31/60/12/1072316012.db2.gz MBFQDEQJCFXQJJ-HZPDHXFCSA-N 1 2 380.489 -0.175 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502294623 1072315412 /nfs/dbraw/zinc/31/54/12/1072315412.db2.gz MBFQDEQJCFXQJJ-JKSUJKDBSA-N 1 2 380.489 -0.175 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)[C@H](C)C1 ZINC000502296130 1072315504 /nfs/dbraw/zinc/31/55/04/1072315504.db2.gz PFIBYBKIHSRWHM-KFWWJZLASA-N 1 2 394.472 -0.648 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)[C@H](C)C1 ZINC000502296130 1072315496 /nfs/dbraw/zinc/31/54/96/1072315496.db2.gz PFIBYBKIHSRWHM-KFWWJZLASA-N 1 2 394.472 -0.648 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)[C@H](C)C1 ZINC000502296132 1072315273 /nfs/dbraw/zinc/31/52/73/1072315273.db2.gz PFIBYBKIHSRWHM-RBSFLKMASA-N 1 2 394.472 -0.648 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)[C@H](C)C1 ZINC000502296132 1072315265 /nfs/dbraw/zinc/31/52/65/1072315265.db2.gz PFIBYBKIHSRWHM-RBSFLKMASA-N 1 2 394.472 -0.648 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)[C@@H](C)C1 ZINC000502296133 1072315534 /nfs/dbraw/zinc/31/55/34/1072315534.db2.gz PFIBYBKIHSRWHM-RRFJBIMHSA-N 1 2 394.472 -0.648 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)[C@@H](C)C1 ZINC000502296133 1072315528 /nfs/dbraw/zinc/31/55/28/1072315528.db2.gz PFIBYBKIHSRWHM-RRFJBIMHSA-N 1 2 394.472 -0.648 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)[C@@H](C)C1 ZINC000502296135 1072315436 /nfs/dbraw/zinc/31/54/36/1072315436.db2.gz PFIBYBKIHSRWHM-ZNMIVQPWSA-N 1 2 394.472 -0.648 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)[C@@H](C)C1 ZINC000502296135 1072315432 /nfs/dbraw/zinc/31/54/32/1072315432.db2.gz PFIBYBKIHSRWHM-ZNMIVQPWSA-N 1 2 394.472 -0.648 20 0 GBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000502309546 1072318896 /nfs/dbraw/zinc/31/88/96/1072318896.db2.gz NQZLXNBENKDPFH-BBWFWOEESA-N 1 2 392.500 -0.175 20 0 GBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000502309546 1072318885 /nfs/dbraw/zinc/31/88/85/1072318885.db2.gz NQZLXNBENKDPFH-BBWFWOEESA-N 1 2 392.500 -0.175 20 0 GBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000502309547 1072318587 /nfs/dbraw/zinc/31/85/87/1072318587.db2.gz NQZLXNBENKDPFH-GVDBMIGSSA-N 1 2 392.500 -0.175 20 0 GBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000502309547 1072318572 /nfs/dbraw/zinc/31/85/72/1072318572.db2.gz NQZLXNBENKDPFH-GVDBMIGSSA-N 1 2 392.500 -0.175 20 0 GBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000502309548 1072318112 /nfs/dbraw/zinc/31/81/12/1072318112.db2.gz NQZLXNBENKDPFH-ULQDDVLXSA-N 1 2 392.500 -0.175 20 0 GBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000502309548 1072318104 /nfs/dbraw/zinc/31/81/04/1072318104.db2.gz NQZLXNBENKDPFH-ULQDDVLXSA-N 1 2 392.500 -0.175 20 0 GBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000502309549 1072318221 /nfs/dbraw/zinc/31/82/21/1072318221.db2.gz NQZLXNBENKDPFH-YESZJQIVSA-N 1 2 392.500 -0.175 20 0 GBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000502309549 1072318215 /nfs/dbraw/zinc/31/82/15/1072318215.db2.gz NQZLXNBENKDPFH-YESZJQIVSA-N 1 2 392.500 -0.175 20 0 GBADLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000502512300 1072325293 /nfs/dbraw/zinc/32/52/93/1072325293.db2.gz SHWQVGNBMIVZBY-UHFFFAOYSA-N 1 2 383.537 -0.251 20 0 GBADLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000502512300 1072325283 /nfs/dbraw/zinc/32/52/83/1072325283.db2.gz SHWQVGNBMIVZBY-UHFFFAOYSA-N 1 2 383.537 -0.251 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCOC1 ZINC000502629363 1072329287 /nfs/dbraw/zinc/32/92/87/1072329287.db2.gz WHXPSAYAMYJUSE-AWEZNQCLSA-N 1 2 383.474 -0.379 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCOC1 ZINC000502629364 1072329589 /nfs/dbraw/zinc/32/95/89/1072329589.db2.gz WHXPSAYAMYJUSE-CQSZACIVSA-N 1 2 383.474 -0.379 20 0 GBADLO O=S(=O)(CCN=c1ncnc2[nH][nH]cc1-2)N1CCN(c2cccc[nH+]2)CC1 ZINC000502698188 1072332640 /nfs/dbraw/zinc/33/26/40/1072332640.db2.gz MEFARJOWYDVPQZ-UHFFFAOYSA-N 1 2 388.457 -0.315 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CC2(O)CCS(=O)(=O)CC2)C1 ZINC000502705819 1072332761 /nfs/dbraw/zinc/33/27/61/1072332761.db2.gz NVOGZKGMVYBJEA-AWEZNQCLSA-N 1 2 390.502 -0.340 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CC2(O)CCS(=O)(=O)CC2)C1 ZINC000502705819 1072332746 /nfs/dbraw/zinc/33/27/46/1072332746.db2.gz NVOGZKGMVYBJEA-AWEZNQCLSA-N 1 2 390.502 -0.340 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC2(O)CCS(=O)(=O)CC2)C1 ZINC000502705820 1072333169 /nfs/dbraw/zinc/33/31/69/1072333169.db2.gz NVOGZKGMVYBJEA-CQSZACIVSA-N 1 2 390.502 -0.340 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CC2(O)CCS(=O)(=O)CC2)C1 ZINC000502705820 1072333156 /nfs/dbraw/zinc/33/31/56/1072333156.db2.gz NVOGZKGMVYBJEA-CQSZACIVSA-N 1 2 390.502 -0.340 20 0 GBADLO COC(=O)CC[N@@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000502715363 1072333929 /nfs/dbraw/zinc/33/39/29/1072333929.db2.gz MLIHYHOXLNDUOX-HNNXBMFYSA-N 1 2 389.518 -0.409 20 0 GBADLO COC(=O)CC[N@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000502715363 1072333924 /nfs/dbraw/zinc/33/39/24/1072333924.db2.gz MLIHYHOXLNDUOX-HNNXBMFYSA-N 1 2 389.518 -0.409 20 0 GBADLO COC(=O)CC[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000502715364 1072333976 /nfs/dbraw/zinc/33/39/76/1072333976.db2.gz MLIHYHOXLNDUOX-OAHLLOKOSA-N 1 2 389.518 -0.409 20 0 GBADLO COC(=O)CC[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000502715364 1072333969 /nfs/dbraw/zinc/33/39/69/1072333969.db2.gz MLIHYHOXLNDUOX-OAHLLOKOSA-N 1 2 389.518 -0.409 20 0 GBADLO NC(=O)NC1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000502835468 1072339380 /nfs/dbraw/zinc/33/93/80/1072339380.db2.gz AMUOEZFPDQYBMC-CYBMUJFWSA-N 1 2 389.460 -0.401 20 0 GBADLO NC(=O)NC1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000502835468 1072339373 /nfs/dbraw/zinc/33/93/73/1072339373.db2.gz AMUOEZFPDQYBMC-CYBMUJFWSA-N 1 2 389.460 -0.401 20 0 GBADLO NC(=O)NC1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000502835469 1072339025 /nfs/dbraw/zinc/33/90/25/1072339025.db2.gz AMUOEZFPDQYBMC-ZDUSSCGKSA-N 1 2 389.460 -0.401 20 0 GBADLO NC(=O)NC1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000502835469 1072339019 /nfs/dbraw/zinc/33/90/19/1072339019.db2.gz AMUOEZFPDQYBMC-ZDUSSCGKSA-N 1 2 389.460 -0.401 20 0 GBADLO NC(=O)NC1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000502838193 1072339211 /nfs/dbraw/zinc/33/92/11/1072339211.db2.gz CHJYMWPJCCHEQU-UHFFFAOYSA-N 1 2 375.433 -0.837 20 0 GBADLO NC(=O)NC1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000502838193 1072339203 /nfs/dbraw/zinc/33/92/03/1072339203.db2.gz CHJYMWPJCCHEQU-UHFFFAOYSA-N 1 2 375.433 -0.837 20 0 GBADLO C[C@@H](CS(C)(=O)=O)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502845501 1072340198 /nfs/dbraw/zinc/34/01/98/1072340198.db2.gz BJRMEWVFGHQXND-AWEZNQCLSA-N 1 2 397.501 -0.147 20 0 GBADLO C[C@H](CS(C)(=O)=O)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502845510 1072340513 /nfs/dbraw/zinc/34/05/13/1072340513.db2.gz BJRMEWVFGHQXND-CQSZACIVSA-N 1 2 397.501 -0.147 20 0 GBADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000502888181 1072339880 /nfs/dbraw/zinc/33/98/80/1072339880.db2.gz MGVDGZRTCKQLNP-KRWDZBQOSA-N 1 2 398.485 -0.422 20 0 GBADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000502888181 1072339875 /nfs/dbraw/zinc/33/98/75/1072339875.db2.gz MGVDGZRTCKQLNP-KRWDZBQOSA-N 1 2 398.485 -0.422 20 0 GBADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000502888182 1072340902 /nfs/dbraw/zinc/34/09/02/1072340902.db2.gz MGVDGZRTCKQLNP-QGZVFWFLSA-N 1 2 398.485 -0.422 20 0 GBADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)cc1 ZINC000502888182 1072340895 /nfs/dbraw/zinc/34/08/95/1072340895.db2.gz MGVDGZRTCKQLNP-QGZVFWFLSA-N 1 2 398.485 -0.422 20 0 GBADLO COc1cnccc1[C@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000502947144 1072342466 /nfs/dbraw/zinc/34/24/66/1072342466.db2.gz DJWYRKANCOTHEV-KBPBESRZSA-N 1 2 380.445 -0.581 20 0 GBADLO COc1cnccc1[C@@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000502947145 1072342406 /nfs/dbraw/zinc/34/24/06/1072342406.db2.gz DJWYRKANCOTHEV-KGLIPLIRSA-N 1 2 380.445 -0.581 20 0 GBADLO COc1cnccc1[C@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000502947146 1072342979 /nfs/dbraw/zinc/34/29/79/1072342979.db2.gz DJWYRKANCOTHEV-UONOGXRCSA-N 1 2 380.445 -0.581 20 0 GBADLO COc1cnccc1[C@@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000502947147 1072343091 /nfs/dbraw/zinc/34/30/91/1072343091.db2.gz DJWYRKANCOTHEV-ZIAGYGMSSA-N 1 2 380.445 -0.581 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000503056611 1072345621 /nfs/dbraw/zinc/34/56/21/1072345621.db2.gz RDCQVQQGDOMSSB-UHFFFAOYSA-N 1 2 399.503 -0.151 20 0 GBADLO O=C(CN1CCN(C(=O)CO)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000503160149 1072356744 /nfs/dbraw/zinc/35/67/44/1072356744.db2.gz CHGWAXHARRLDEI-UHFFFAOYSA-N 1 2 390.484 -0.729 20 0 GBADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)CO)CC2)c(OC)c1 ZINC000503161276 1072358045 /nfs/dbraw/zinc/35/80/45/1072358045.db2.gz LKQDXPPXJKUNKO-AWEZNQCLSA-N 1 2 382.413 -0.642 20 0 GBADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)CO)CC2)c(OC)c1 ZINC000503161277 1072357942 /nfs/dbraw/zinc/35/79/42/1072357942.db2.gz LKQDXPPXJKUNKO-CQSZACIVSA-N 1 2 382.413 -0.642 20 0 GBADLO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]C1(C(N)=O)CC1 ZINC000503200038 1072432191 /nfs/dbraw/zinc/43/21/91/1072432191.db2.gz JUFSEVRBIXCSDJ-UHFFFAOYSA-N 1 2 383.474 -0.274 20 0 GBADLO CCCN(CCO)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503238200 1072434120 /nfs/dbraw/zinc/43/41/20/1072434120.db2.gz ARKJGKYRQFTBFL-UHFFFAOYSA-N 1 2 399.517 -0.053 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@@H+](C)CCOCCO ZINC000503240332 530448418 /nfs/dbraw/zinc/44/84/18/530448418.db2.gz XRELKOIDAQLKGC-UHFFFAOYSA-N 1 2 394.515 -0.349 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@H+](C)CCOCCO ZINC000503240332 530448415 /nfs/dbraw/zinc/44/84/15/530448415.db2.gz XRELKOIDAQLKGC-UHFFFAOYSA-N 1 2 394.515 -0.349 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N(CCO)C1CC1 ZINC000503242956 1072434090 /nfs/dbraw/zinc/43/40/90/1072434090.db2.gz SRGPUTHNQHADIC-UHFFFAOYSA-N 1 2 397.501 -0.300 20 0 GBADLO C[N@@H+](CCOCCO)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000503265091 530448813 /nfs/dbraw/zinc/44/88/13/530448813.db2.gz DVBZFGBKJAAUHH-CABCVRRESA-N 1 2 378.491 -0.878 20 0 GBADLO C[N@H+](CCOCCO)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000503265091 530448812 /nfs/dbraw/zinc/44/88/12/530448812.db2.gz DVBZFGBKJAAUHH-CABCVRRESA-N 1 2 378.491 -0.878 20 0 GBADLO C[N@@H+](CCOCCO)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000503265095 530448651 /nfs/dbraw/zinc/44/86/51/530448651.db2.gz DVBZFGBKJAAUHH-GJZGRUSLSA-N 1 2 378.491 -0.878 20 0 GBADLO C[N@H+](CCOCCO)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000503265095 530448650 /nfs/dbraw/zinc/44/86/50/530448650.db2.gz DVBZFGBKJAAUHH-GJZGRUSLSA-N 1 2 378.491 -0.878 20 0 GBADLO C[N@@H+](CCOCCO)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000503265096 530448741 /nfs/dbraw/zinc/44/87/41/530448741.db2.gz DVBZFGBKJAAUHH-HUUCEWRRSA-N 1 2 378.491 -0.878 20 0 GBADLO C[N@H+](CCOCCO)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000503265096 530448740 /nfs/dbraw/zinc/44/87/40/530448740.db2.gz DVBZFGBKJAAUHH-HUUCEWRRSA-N 1 2 378.491 -0.878 20 0 GBADLO C[N@@H+](CCOCCO)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000503265098 530448566 /nfs/dbraw/zinc/44/85/66/530448566.db2.gz DVBZFGBKJAAUHH-LSDHHAIUSA-N 1 2 378.491 -0.878 20 0 GBADLO C[N@H+](CCOCCO)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000503265098 530448564 /nfs/dbraw/zinc/44/85/64/530448564.db2.gz DVBZFGBKJAAUHH-LSDHHAIUSA-N 1 2 378.491 -0.878 20 0 GBADLO Cn1c(=O)c(C(=O)C[N@@H+](C)CCOCCO)c(N)n(Cc2ccccc2)c1=O ZINC000503265733 1072440334 /nfs/dbraw/zinc/44/03/34/1072440334.db2.gz RWTHDGPDNBCVKA-UHFFFAOYSA-N 1 2 390.440 -0.699 20 0 GBADLO Cn1c(=O)c(C(=O)C[N@H+](C)CCOCCO)c(N)n(Cc2ccccc2)c1=O ZINC000503265733 1072440331 /nfs/dbraw/zinc/44/03/31/1072440331.db2.gz RWTHDGPDNBCVKA-UHFFFAOYSA-N 1 2 390.440 -0.699 20 0 GBADLO CNc1nc(N2CCN(C(C)C)C(=O)C2)[nH+]c(N2CCN(C(C)C)C(=O)C2)n1 ZINC000503273247 1072439537 /nfs/dbraw/zinc/43/95/37/1072439537.db2.gz BWYYZTLLWCRTJD-UHFFFAOYSA-N 1 2 390.492 -0.551 20 0 GBADLO CNc1nc(N2CCN(C(C)C)C(=O)C2)nc(N2CCN(C(C)C)C(=O)C2)[nH+]1 ZINC000503273247 1072439532 /nfs/dbraw/zinc/43/95/32/1072439532.db2.gz BWYYZTLLWCRTJD-UHFFFAOYSA-N 1 2 390.492 -0.551 20 0 GBADLO COCCNc1nc(N2CC[C@H]([C@H](C)O)C2)[nH+]c(N2CC[C@H]([C@H](C)O)C2)n1 ZINC000503300117 1072443700 /nfs/dbraw/zinc/44/37/00/1072443700.db2.gz CIPXNRDDXDLEBX-AJNGGQMLSA-N 1 2 380.493 -0.234 20 0 GBADLO CS(=O)(=O)c1csc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000503304109 530449166 /nfs/dbraw/zinc/44/91/66/530449166.db2.gz RGODKYFDMXPCGH-UHFFFAOYSA-N 1 2 375.472 -0.670 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](O)C1CC1 ZINC000503385957 1072454685 /nfs/dbraw/zinc/45/46/85/1072454685.db2.gz LAMRQJVAMSPSHV-HNNXBMFYSA-N 1 2 397.501 -0.397 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](O)C1CC1 ZINC000503385958 1072454765 /nfs/dbraw/zinc/45/47/65/1072454765.db2.gz LAMRQJVAMSPSHV-OAHLLOKOSA-N 1 2 397.501 -0.397 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000503403834 1072460703 /nfs/dbraw/zinc/46/07/03/1072460703.db2.gz KIJDDXMVHIFBEJ-AWEZNQCLSA-N 1 2 378.433 -0.818 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000503403835 1072460335 /nfs/dbraw/zinc/46/03/35/1072460335.db2.gz KIJDDXMVHIFBEJ-CQSZACIVSA-N 1 2 378.433 -0.818 20 0 GBADLO C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000503470395 1072467155 /nfs/dbraw/zinc/46/71/55/1072467155.db2.gz PBXSKZBQLBHPKA-LLVKDONJSA-N 1 2 381.462 -0.372 20 0 GBADLO C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000503470416 1072467356 /nfs/dbraw/zinc/46/73/56/1072467356.db2.gz PBXSKZBQLBHPKA-NSHDSACASA-N 1 2 381.462 -0.372 20 0 GBADLO CC[NH+](CC)CCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000503471189 530418048 /nfs/dbraw/zinc/41/80/48/530418048.db2.gz FHYMXSBHMNXYBK-KBPBESRZSA-N 1 2 380.532 -0.221 20 0 GBADLO CC[NH+](CC)CCN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000503471190 530418174 /nfs/dbraw/zinc/41/81/74/530418174.db2.gz FHYMXSBHMNXYBK-KGLIPLIRSA-N 1 2 380.532 -0.221 20 0 GBADLO CC[NH+](CC)CCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000503471191 530418252 /nfs/dbraw/zinc/41/82/52/530418252.db2.gz FHYMXSBHMNXYBK-UONOGXRCSA-N 1 2 380.532 -0.221 20 0 GBADLO CC[NH+](CC)CCN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000503471192 530418080 /nfs/dbraw/zinc/41/80/80/530418080.db2.gz FHYMXSBHMNXYBK-ZIAGYGMSSA-N 1 2 380.532 -0.221 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCCC[C@H]1CC(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC000503509055 530448882 /nfs/dbraw/zinc/44/88/82/530448882.db2.gz HCAQWJQJGGNFDZ-KBPBESRZSA-N 1 2 375.491 -0.622 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCCC[C@H]1CC(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC000503509055 530448880 /nfs/dbraw/zinc/44/88/80/530448880.db2.gz HCAQWJQJGGNFDZ-KBPBESRZSA-N 1 2 375.491 -0.622 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC000503509056 530449007 /nfs/dbraw/zinc/44/90/07/530449007.db2.gz HCAQWJQJGGNFDZ-KGLIPLIRSA-N 1 2 375.491 -0.622 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC000503509056 530449005 /nfs/dbraw/zinc/44/90/05/530449005.db2.gz HCAQWJQJGGNFDZ-KGLIPLIRSA-N 1 2 375.491 -0.622 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCCC[C@H]1CC(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000503509057 530449107 /nfs/dbraw/zinc/44/91/07/530449107.db2.gz HCAQWJQJGGNFDZ-UONOGXRCSA-N 1 2 375.491 -0.622 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCCC[C@H]1CC(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000503509057 530449105 /nfs/dbraw/zinc/44/91/05/530449105.db2.gz HCAQWJQJGGNFDZ-UONOGXRCSA-N 1 2 375.491 -0.622 20 0 GBADLO COCCN(C(=O)C[N@H+]1CCCC[C@@H]1CC(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000503509058 530449086 /nfs/dbraw/zinc/44/90/86/530449086.db2.gz HCAQWJQJGGNFDZ-ZIAGYGMSSA-N 1 2 375.491 -0.622 20 0 GBADLO COCCN(C(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000503509058 530449084 /nfs/dbraw/zinc/44/90/84/530449084.db2.gz HCAQWJQJGGNFDZ-ZIAGYGMSSA-N 1 2 375.491 -0.622 20 0 GBADLO COCCN(C(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000503509950 530449198 /nfs/dbraw/zinc/44/91/98/530449198.db2.gz LHSOTHBKWRZNGC-BFHYXJOUSA-N 1 2 375.491 -0.766 20 0 GBADLO COCCN(C(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000503509950 530449197 /nfs/dbraw/zinc/44/91/97/530449197.db2.gz LHSOTHBKWRZNGC-BFHYXJOUSA-N 1 2 375.491 -0.766 20 0 GBADLO COCCN(C(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000503509952 530449182 /nfs/dbraw/zinc/44/91/82/530449182.db2.gz LHSOTHBKWRZNGC-MCIONIFRSA-N 1 2 375.491 -0.766 20 0 GBADLO COCCN(C(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000503509952 530449181 /nfs/dbraw/zinc/44/91/81/530449181.db2.gz LHSOTHBKWRZNGC-MCIONIFRSA-N 1 2 375.491 -0.766 20 0 GBADLO COCCN(C(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000503509953 530449187 /nfs/dbraw/zinc/44/91/87/530449187.db2.gz LHSOTHBKWRZNGC-MGPQQGTHSA-N 1 2 375.491 -0.766 20 0 GBADLO COCCN(C(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000503509953 530449186 /nfs/dbraw/zinc/44/91/86/530449186.db2.gz LHSOTHBKWRZNGC-MGPQQGTHSA-N 1 2 375.491 -0.766 20 0 GBADLO COCCN(C(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000503509954 530449156 /nfs/dbraw/zinc/44/91/56/530449156.db2.gz LHSOTHBKWRZNGC-MJBXVCDLSA-N 1 2 375.491 -0.766 20 0 GBADLO COCCN(C(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000503509954 530449155 /nfs/dbraw/zinc/44/91/55/530449155.db2.gz LHSOTHBKWRZNGC-MJBXVCDLSA-N 1 2 375.491 -0.766 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3ncncc3Cl)CC2)CC1 ZINC000503661042 530449362 /nfs/dbraw/zinc/44/93/62/530449362.db2.gz YIQVMQXEVNJVGT-UHFFFAOYSA-N 1 2 388.881 -0.620 20 0 GBADLO Cn1cnc(S(=O)(=O)NCC(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000503670367 530449352 /nfs/dbraw/zinc/44/93/52/530449352.db2.gz DSIOINYHZLDJRN-UHFFFAOYSA-N 1 2 380.352 -0.226 20 0 GBADLO Cc1cccn2cc(CNS(=O)(=O)N3CCN(S(C)(=O)=O)CC3)[nH+]c12 ZINC000503776693 530449517 /nfs/dbraw/zinc/44/95/17/530449517.db2.gz SICTVZCTZVAEGX-UHFFFAOYSA-N 1 2 387.487 -0.446 20 0 GBADLO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C12CCCC2 ZINC000503809526 1072486949 /nfs/dbraw/zinc/48/69/49/1072486949.db2.gz GHMMSDJMDRTKHR-BRWVUGGUSA-N 1 2 397.516 -0.008 20 0 GBADLO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C12CCCC2 ZINC000503809527 1072487088 /nfs/dbraw/zinc/48/70/88/1072487088.db2.gz GHMMSDJMDRTKHR-GVDBMIGSSA-N 1 2 397.516 -0.008 20 0 GBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C12CCCC2 ZINC000503809528 1072487030 /nfs/dbraw/zinc/48/70/30/1072487030.db2.gz GHMMSDJMDRTKHR-IXDOHACOSA-N 1 2 397.516 -0.008 20 0 GBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C12CCCC2 ZINC000503809529 1072486988 /nfs/dbraw/zinc/48/69/88/1072486988.db2.gz GHMMSDJMDRTKHR-YESZJQIVSA-N 1 2 397.516 -0.008 20 0 GBADLO COc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(C)n1 ZINC000503974677 1072506042 /nfs/dbraw/zinc/50/60/42/1072506042.db2.gz QJVYOMNKHCFELC-UHFFFAOYSA-N 1 2 397.501 -0.351 20 0 GBADLO O=C(NCCNC(=O)c1ccn[nH]1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000504011290 1072513360 /nfs/dbraw/zinc/51/33/60/1072513360.db2.gz SFSVGDPCVUNMIR-UHFFFAOYSA-N 1 2 387.448 -0.949 20 0 GBADLO NC(=O)[C@]1(O)CCCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000504074339 1072518207 /nfs/dbraw/zinc/51/82/07/1072518207.db2.gz AUFMDKAEPCSMEU-BEFAXECRSA-N 1 2 391.472 -0.144 20 0 GBADLO NC(=O)[C@]1(O)CCCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000504074339 1072518203 /nfs/dbraw/zinc/51/82/03/1072518203.db2.gz AUFMDKAEPCSMEU-BEFAXECRSA-N 1 2 391.472 -0.144 20 0 GBADLO NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000504074350 1072517859 /nfs/dbraw/zinc/51/78/59/1072517859.db2.gz AUFMDKAEPCSMEU-DNVCBOLYSA-N 1 2 391.472 -0.144 20 0 GBADLO NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000504074350 1072517850 /nfs/dbraw/zinc/51/78/50/1072517850.db2.gz AUFMDKAEPCSMEU-DNVCBOLYSA-N 1 2 391.472 -0.144 20 0 GBADLO NC(=O)[C@@]1(O)CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000504074352 1072518380 /nfs/dbraw/zinc/51/83/80/1072518380.db2.gz AUFMDKAEPCSMEU-HNAYVOBHSA-N 1 2 391.472 -0.144 20 0 GBADLO NC(=O)[C@@]1(O)CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000504074352 1072518374 /nfs/dbraw/zinc/51/83/74/1072518374.db2.gz AUFMDKAEPCSMEU-HNAYVOBHSA-N 1 2 391.472 -0.144 20 0 GBADLO NC(=O)[C@]1(O)CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000504074354 1072518289 /nfs/dbraw/zinc/51/82/89/1072518289.db2.gz AUFMDKAEPCSMEU-KXBFYZLASA-N 1 2 391.472 -0.144 20 0 GBADLO NC(=O)[C@]1(O)CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000504074354 1072518278 /nfs/dbraw/zinc/51/82/78/1072518278.db2.gz AUFMDKAEPCSMEU-KXBFYZLASA-N 1 2 391.472 -0.144 20 0 GBADLO C[C@@H](CO)N(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000504080312 1072518805 /nfs/dbraw/zinc/51/88/05/1072518805.db2.gz IDBRHAJONORWJU-AWEZNQCLSA-N 1 2 385.490 -0.444 20 0 GBADLO NC(=O)CCC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000504254421 1072540892 /nfs/dbraw/zinc/54/08/92/1072540892.db2.gz SQUIEQFPUVCSJO-INIZCTEOSA-N 1 2 380.489 -0.329 20 0 GBADLO NC(=O)CCC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000504254422 1072541191 /nfs/dbraw/zinc/54/11/91/1072541191.db2.gz SQUIEQFPUVCSJO-MRXNPFEDSA-N 1 2 380.489 -0.329 20 0 GBADLO O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000504303548 1072559146 /nfs/dbraw/zinc/55/91/46/1072559146.db2.gz SMLJLEQFYVFSRK-UHFFFAOYSA-N 1 2 399.459 -0.409 20 0 GBADLO COC1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000504396681 1072575146 /nfs/dbraw/zinc/57/51/46/1072575146.db2.gz PDHBLTIAWSIWRS-UHFFFAOYSA-N 1 2 389.522 -0.625 20 0 GBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000504428590 1072575386 /nfs/dbraw/zinc/57/53/86/1072575386.db2.gz DLNFYJMZVNEWNQ-GFCCVEGCSA-N 1 2 375.429 -0.737 20 0 GBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000504428590 1072575380 /nfs/dbraw/zinc/57/53/80/1072575380.db2.gz DLNFYJMZVNEWNQ-GFCCVEGCSA-N 1 2 375.429 -0.737 20 0 GBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000504428591 1072575189 /nfs/dbraw/zinc/57/51/89/1072575189.db2.gz DLNFYJMZVNEWNQ-LBPRGKRZSA-N 1 2 375.429 -0.737 20 0 GBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000504428591 1072575180 /nfs/dbraw/zinc/57/51/80/1072575180.db2.gz DLNFYJMZVNEWNQ-LBPRGKRZSA-N 1 2 375.429 -0.737 20 0 GBADLO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CNS(C)(=O)=O)CC3)C2=O)cn1 ZINC000504438703 1072574973 /nfs/dbraw/zinc/57/49/73/1072574973.db2.gz NXZJYEYANSGYHC-AWEZNQCLSA-N 1 2 396.469 -0.017 20 0 GBADLO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CNS(C)(=O)=O)CC3)C2=O)cn1 ZINC000504438704 1072575255 /nfs/dbraw/zinc/57/52/55/1072575255.db2.gz NXZJYEYANSGYHC-CQSZACIVSA-N 1 2 396.469 -0.017 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000504457158 1072575933 /nfs/dbraw/zinc/57/59/33/1072575933.db2.gz YGIZKISPSKHOAM-UHFFFAOYSA-N 1 2 387.440 -0.002 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc(C(N)=O)n1)[NH+]1CCOCC1 ZINC000504463914 1072576214 /nfs/dbraw/zinc/57/62/14/1072576214.db2.gz CNVVTLAQJGHRJL-CYBMUJFWSA-N 1 2 377.445 -0.018 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc(C(N)=O)n1)[NH+]1CCOCC1 ZINC000504463915 1072576175 /nfs/dbraw/zinc/57/61/75/1072576175.db2.gz CNVVTLAQJGHRJL-ZDUSSCGKSA-N 1 2 377.445 -0.018 20 0 GBADLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCCCCS(N)(=O)=O ZINC000504484119 530450410 /nfs/dbraw/zinc/45/04/10/530450410.db2.gz PMSBSNNUAMVTDU-UHFFFAOYSA-N 1 2 391.515 -0.180 20 0 GBADLO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000504535909 1072577719 /nfs/dbraw/zinc/57/77/19/1072577719.db2.gz JJKCWRGPQGANOR-UHFFFAOYSA-N 1 2 385.428 -0.380 20 0 GBADLO C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000504539957 1072578964 /nfs/dbraw/zinc/57/89/64/1072578964.db2.gz FRINIFKIFBHRID-GJZGRUSLSA-N 1 2 379.461 -0.084 20 0 GBADLO C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000504539958 1072578897 /nfs/dbraw/zinc/57/88/97/1072578897.db2.gz FRINIFKIFBHRID-HUUCEWRRSA-N 1 2 379.461 -0.084 20 0 GBADLO C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000504539959 1072579094 /nfs/dbraw/zinc/57/90/94/1072579094.db2.gz FRINIFKIFBHRID-LSDHHAIUSA-N 1 2 379.461 -0.084 20 0 GBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(n4cc[nH+]c4)CC3)C2=O)cn1 ZINC000504555920 1072579080 /nfs/dbraw/zinc/57/90/80/1072579080.db2.gz PWJOJMWQYYDPAA-HNNXBMFYSA-N 1 2 385.428 -0.298 20 0 GBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000504556174 1072577972 /nfs/dbraw/zinc/57/79/72/1072577972.db2.gz SBJQXKBUUGVLMQ-CVEARBPZSA-N 1 2 398.423 -0.284 20 0 GBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000504556175 1072578728 /nfs/dbraw/zinc/57/87/28/1072578728.db2.gz SBJQXKBUUGVLMQ-HZPDHXFCSA-N 1 2 398.423 -0.284 20 0 GBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)C2=O)cn1 ZINC000504564319 1072579605 /nfs/dbraw/zinc/57/96/05/1072579605.db2.gz UWAACMBFPMLQCV-AWEZNQCLSA-N 1 2 385.428 -0.229 20 0 GBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)C2=O)cn1 ZINC000504564320 1072579892 /nfs/dbraw/zinc/57/98/92/1072579892.db2.gz UWAACMBFPMLQCV-CQSZACIVSA-N 1 2 385.428 -0.229 20 0 GBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000504578752 1072581668 /nfs/dbraw/zinc/58/16/68/1072581668.db2.gz SBJQXKBUUGVLMQ-HOTGVXAUSA-N 1 2 398.423 -0.284 20 0 GBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000504578753 1072581395 /nfs/dbraw/zinc/58/13/95/1072581395.db2.gz SBJQXKBUUGVLMQ-JKSUJKDBSA-N 1 2 398.423 -0.284 20 0 GBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)C2=O)cn1 ZINC000504585243 1072581988 /nfs/dbraw/zinc/58/19/88/1072581988.db2.gz LTAZYDKRLBMYGC-AWEZNQCLSA-N 1 2 385.428 -0.229 20 0 GBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)C2=O)cn1 ZINC000504585243 1072581972 /nfs/dbraw/zinc/58/19/72/1072581972.db2.gz LTAZYDKRLBMYGC-AWEZNQCLSA-N 1 2 385.428 -0.229 20 0 GBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)C2=O)cn1 ZINC000504585244 1072582407 /nfs/dbraw/zinc/58/24/07/1072582407.db2.gz LTAZYDKRLBMYGC-CQSZACIVSA-N 1 2 385.428 -0.229 20 0 GBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)C2=O)cn1 ZINC000504585244 1072582401 /nfs/dbraw/zinc/58/24/01/1072582401.db2.gz LTAZYDKRLBMYGC-CQSZACIVSA-N 1 2 385.428 -0.229 20 0 GBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000504587184 1072582330 /nfs/dbraw/zinc/58/23/30/1072582330.db2.gz YYZWXMCPKFQSNV-GXTWGEPZSA-N 1 2 385.428 -0.609 20 0 GBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000504587187 1072582304 /nfs/dbraw/zinc/58/23/04/1072582304.db2.gz YYZWXMCPKFQSNV-JSGCOSHPSA-N 1 2 385.428 -0.609 20 0 GBADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000504587189 1072582381 /nfs/dbraw/zinc/58/23/81/1072582381.db2.gz YYZWXMCPKFQSNV-OCCSQVGLSA-N 1 2 385.428 -0.609 20 0 GBADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000504587191 1072582009 /nfs/dbraw/zinc/58/20/09/1072582009.db2.gz YYZWXMCPKFQSNV-TZMCWYRMSA-N 1 2 385.428 -0.609 20 0 GBADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504589932 1072583519 /nfs/dbraw/zinc/58/35/19/1072583519.db2.gz BIZPNKOVQAAYBD-HNNXBMFYSA-N 1 2 399.455 -0.167 20 0 GBADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504589933 1072583037 /nfs/dbraw/zinc/58/30/37/1072583037.db2.gz BIZPNKOVQAAYBD-OAHLLOKOSA-N 1 2 399.455 -0.167 20 0 GBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCn3cc(C(=O)OC)nn3)C2)CC1 ZINC000504688891 1072584369 /nfs/dbraw/zinc/58/43/69/1072584369.db2.gz AMTUMGPBOCLBFC-AWEZNQCLSA-N 1 2 379.465 -0.514 20 0 GBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCn3cc(C(=O)OC)nn3)C2)CC1 ZINC000504688892 1072584390 /nfs/dbraw/zinc/58/43/90/1072584390.db2.gz AMTUMGPBOCLBFC-CQSZACIVSA-N 1 2 379.465 -0.514 20 0 GBADLO O=C(NCCS(=O)(=O)NC1CC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000505024944 530450269 /nfs/dbraw/zinc/45/02/69/530450269.db2.gz XGLJGPGQSUBDDA-HNNXBMFYSA-N 1 2 392.547 -0.425 20 0 GBADLO O=C(NCCS(=O)(=O)NC1CC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000505024945 530450346 /nfs/dbraw/zinc/45/03/46/530450346.db2.gz XGLJGPGQSUBDDA-OAHLLOKOSA-N 1 2 392.547 -0.425 20 0 GBADLO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000505027480 1072607460 /nfs/dbraw/zinc/60/74/60/1072607460.db2.gz RMDWAWRERDWCDQ-AWEZNQCLSA-N 1 2 386.412 -0.049 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCCCNC1=O ZINC000505288452 1072612844 /nfs/dbraw/zinc/61/28/44/1072612844.db2.gz WLYYDBQQKLDVHY-AWEZNQCLSA-N 1 2 375.429 -0.050 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCCCNC1=O ZINC000505288453 1072613334 /nfs/dbraw/zinc/61/33/34/1072613334.db2.gz WLYYDBQQKLDVHY-CQSZACIVSA-N 1 2 375.429 -0.050 20 0 GBADLO Cn1c2ncn(CC(=O)N3CC[NH2+][C@@H](c4cccnc4)C3)c2c(=O)n(C)c1=O ZINC000505476541 1072640431 /nfs/dbraw/zinc/64/04/31/1072640431.db2.gz MHZZXVCCXLIRME-CYBMUJFWSA-N 1 2 383.412 -0.998 20 0 GBADLO Cn1c2ncn(CC(=O)N3CC[NH2+][C@H](c4cccnc4)C3)c2c(=O)n(C)c1=O ZINC000505476542 1072640722 /nfs/dbraw/zinc/64/07/22/1072640722.db2.gz MHZZXVCCXLIRME-ZDUSSCGKSA-N 1 2 383.412 -0.998 20 0 GBADLO C[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000505516313 530450660 /nfs/dbraw/zinc/45/06/60/530450660.db2.gz YLEVHVYLDRMEDP-UHFFFAOYSA-N 1 2 388.877 -0.410 20 0 GBADLO C[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000505516313 530450659 /nfs/dbraw/zinc/45/06/59/530450659.db2.gz YLEVHVYLDRMEDP-UHFFFAOYSA-N 1 2 388.877 -0.410 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000505543141 1072648277 /nfs/dbraw/zinc/64/82/77/1072648277.db2.gz PFALHNYYILDSFS-HNNXBMFYSA-N 1 2 397.501 -0.611 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000505543142 1072648479 /nfs/dbraw/zinc/64/84/79/1072648479.db2.gz PFALHNYYILDSFS-OAHLLOKOSA-N 1 2 397.501 -0.611 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000505571806 1072653010 /nfs/dbraw/zinc/65/30/10/1072653010.db2.gz DJKIMBFTWAEHHC-HNNXBMFYSA-N 1 2 397.501 -0.611 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000505571807 1072653358 /nfs/dbraw/zinc/65/33/58/1072653358.db2.gz DJKIMBFTWAEHHC-OAHLLOKOSA-N 1 2 397.501 -0.611 20 0 GBADLO Cn1c2ncn(CC(=O)N3CC[NH2+][C@@H](c4ccncc4)C3)c2c(=O)n(C)c1=O ZINC000505577744 1072655116 /nfs/dbraw/zinc/65/51/16/1072655116.db2.gz ALUZDEYOTIOMBX-CYBMUJFWSA-N 1 2 383.412 -0.998 20 0 GBADLO Cn1c2ncn(CC(=O)N3CC[NH2+][C@H](c4ccncc4)C3)c2c(=O)n(C)c1=O ZINC000505577745 1072655145 /nfs/dbraw/zinc/65/51/45/1072655145.db2.gz ALUZDEYOTIOMBX-ZDUSSCGKSA-N 1 2 383.412 -0.998 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCO1 ZINC000505625773 1072672641 /nfs/dbraw/zinc/67/26/41/1072672641.db2.gz ZULWOTYOGDVPOA-UHFFFAOYSA-N 1 2 388.476 -0.037 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCO1 ZINC000505625773 1072672636 /nfs/dbraw/zinc/67/26/36/1072672636.db2.gz ZULWOTYOGDVPOA-UHFFFAOYSA-N 1 2 388.476 -0.037 20 0 GBADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(COC)nc3ncnn32)CC1 ZINC000505627655 1072671829 /nfs/dbraw/zinc/67/18/29/1072671829.db2.gz BHUCMASLNKTNBH-AWEZNQCLSA-N 1 2 391.476 -0.066 20 0 GBADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(COC)nc3ncnn32)CC1 ZINC000505627656 1072671837 /nfs/dbraw/zinc/67/18/37/1072671837.db2.gz BHUCMASLNKTNBH-CQSZACIVSA-N 1 2 391.476 -0.066 20 0 GBADLO COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000505701568 1072696767 /nfs/dbraw/zinc/69/67/67/1072696767.db2.gz QCUDIAPKVUZDKI-CVEARBPZSA-N 1 2 393.484 -0.031 20 0 GBADLO COC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000505701569 1072696521 /nfs/dbraw/zinc/69/65/21/1072696521.db2.gz QCUDIAPKVUZDKI-HOTGVXAUSA-N 1 2 393.484 -0.031 20 0 GBADLO COC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000505701570 1072696594 /nfs/dbraw/zinc/69/65/94/1072696594.db2.gz QCUDIAPKVUZDKI-HZPDHXFCSA-N 1 2 393.484 -0.031 20 0 GBADLO COC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000505701571 1072696584 /nfs/dbraw/zinc/69/65/84/1072696584.db2.gz QCUDIAPKVUZDKI-JKSUJKDBSA-N 1 2 393.484 -0.031 20 0 GBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NCC[NH+]1CCOCC1)C(F)(F)F ZINC000505718447 530450951 /nfs/dbraw/zinc/45/09/51/530450951.db2.gz DRCTXZDGGNEMJL-JTQLQIEISA-N 1 2 376.401 -0.560 20 0 GBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NCC[NH+]1CCOCC1)C(F)(F)F ZINC000505718448 530450927 /nfs/dbraw/zinc/45/09/27/530450927.db2.gz DRCTXZDGGNEMJL-SNVBAGLBSA-N 1 2 376.401 -0.560 20 0 GBADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000505866404 1072757475 /nfs/dbraw/zinc/75/74/75/1072757475.db2.gz PIBXXQUDJUQVCL-UHFFFAOYSA-N 1 2 398.423 -0.276 20 0 GBADLO COC(=O)[C@@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C(=O)OC)C1 ZINC000506026110 1072803903 /nfs/dbraw/zinc/80/39/03/1072803903.db2.gz DELBIFWEKILEIZ-CABCVRRESA-N 1 2 399.488 -0.360 20 0 GBADLO COC(=O)[C@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C(=O)OC)C1 ZINC000506026118 1072803673 /nfs/dbraw/zinc/80/36/73/1072803673.db2.gz DELBIFWEKILEIZ-GJZGRUSLSA-N 1 2 399.488 -0.360 20 0 GBADLO COC(=O)[C@@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C(=O)OC)C1 ZINC000506026119 1072803586 /nfs/dbraw/zinc/80/35/86/1072803586.db2.gz DELBIFWEKILEIZ-HUUCEWRRSA-N 1 2 399.488 -0.360 20 0 GBADLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000506026120 1072803220 /nfs/dbraw/zinc/80/32/20/1072803220.db2.gz DELBIFWEKILEIZ-LSDHHAIUSA-N 1 2 399.488 -0.360 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)CCO1 ZINC000506060647 1072823015 /nfs/dbraw/zinc/82/30/15/1072823015.db2.gz HQMXUHMGCYMBHU-KBPBESRZSA-N 1 2 378.477 -0.046 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)CCO1 ZINC000506060647 1072823002 /nfs/dbraw/zinc/82/30/02/1072823002.db2.gz HQMXUHMGCYMBHU-KBPBESRZSA-N 1 2 378.477 -0.046 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)CCO1 ZINC000506060648 1072822608 /nfs/dbraw/zinc/82/26/08/1072822608.db2.gz HQMXUHMGCYMBHU-KGLIPLIRSA-N 1 2 378.477 -0.046 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)CCO1 ZINC000506060648 1072822599 /nfs/dbraw/zinc/82/25/99/1072822599.db2.gz HQMXUHMGCYMBHU-KGLIPLIRSA-N 1 2 378.477 -0.046 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)CCO1 ZINC000506060650 1072822456 /nfs/dbraw/zinc/82/24/56/1072822456.db2.gz HQMXUHMGCYMBHU-UONOGXRCSA-N 1 2 378.477 -0.046 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)CCO1 ZINC000506060650 1072822440 /nfs/dbraw/zinc/82/24/40/1072822440.db2.gz HQMXUHMGCYMBHU-UONOGXRCSA-N 1 2 378.477 -0.046 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)CCO1 ZINC000506060651 1072822562 /nfs/dbraw/zinc/82/25/62/1072822562.db2.gz HQMXUHMGCYMBHU-ZIAGYGMSSA-N 1 2 378.477 -0.046 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)CCO1 ZINC000506060651 1072822552 /nfs/dbraw/zinc/82/25/52/1072822552.db2.gz HQMXUHMGCYMBHU-ZIAGYGMSSA-N 1 2 378.477 -0.046 20 0 GBADLO COc1cc(C[N@@H+](C)CC(=O)N2CCOCC2)cc(OC)c1OCC(N)=O ZINC000506069572 1072826373 /nfs/dbraw/zinc/82/63/73/1072826373.db2.gz CTVVGHOWQJCBNK-UHFFFAOYSA-N 1 2 381.429 -0.142 20 0 GBADLO COc1cc(C[N@H+](C)CC(=O)N2CCOCC2)cc(OC)c1OCC(N)=O ZINC000506069572 1072826366 /nfs/dbraw/zinc/82/63/66/1072826366.db2.gz CTVVGHOWQJCBNK-UHFFFAOYSA-N 1 2 381.429 -0.142 20 0 GBADLO Cn1c[nH+]cc1CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000506146517 1072856339 /nfs/dbraw/zinc/85/63/39/1072856339.db2.gz CZVNPRHAVQWAHQ-UHFFFAOYSA-N 1 2 399.498 -0.426 20 0 GBADLO O=C(NCCN1C(=O)CCC1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000506151169 1072857313 /nfs/dbraw/zinc/85/73/13/1072857313.db2.gz YGMOYLFIGIPNAM-UHFFFAOYSA-N 1 2 375.433 -0.953 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@@H]1C ZINC000506161851 1072860007 /nfs/dbraw/zinc/86/00/07/1072860007.db2.gz XCAZHLAKDLLXDM-HNNXBMFYSA-N 1 2 379.457 -0.147 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@@H]1C ZINC000506161851 1072859999 /nfs/dbraw/zinc/85/99/99/1072859999.db2.gz XCAZHLAKDLLXDM-HNNXBMFYSA-N 1 2 379.457 -0.147 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@H]1C ZINC000506161852 1072860382 /nfs/dbraw/zinc/86/03/82/1072860382.db2.gz XCAZHLAKDLLXDM-OAHLLOKOSA-N 1 2 379.457 -0.147 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@H]1C ZINC000506161852 1072860368 /nfs/dbraw/zinc/86/03/68/1072860368.db2.gz XCAZHLAKDLLXDM-OAHLLOKOSA-N 1 2 379.457 -0.147 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2OCCO)CC1 ZINC000506168612 1072862307 /nfs/dbraw/zinc/86/23/07/1072862307.db2.gz NILNFFHVHAEPOD-UHFFFAOYSA-N 1 2 379.457 -0.145 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@H]1[NH+]1CCOCC1 ZINC000506173680 1072866135 /nfs/dbraw/zinc/86/61/35/1072866135.db2.gz NHFNOFOVLSETBT-DOTOQJQBSA-N 1 2 391.468 -0.147 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@H]1[NH+]1CCOCC1 ZINC000506173681 1072866307 /nfs/dbraw/zinc/86/63/07/1072866307.db2.gz NHFNOFOVLSETBT-NVXWUHKLSA-N 1 2 391.468 -0.147 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@@H]1[NH+]1CCOCC1 ZINC000506173683 1072866351 /nfs/dbraw/zinc/86/63/51/1072866351.db2.gz NHFNOFOVLSETBT-RDJZCZTQSA-N 1 2 391.468 -0.147 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)C[C@@H]1[NH+]1CCOCC1 ZINC000506173684 1072866160 /nfs/dbraw/zinc/86/61/60/1072866160.db2.gz NHFNOFOVLSETBT-WBVHZDCISA-N 1 2 391.468 -0.147 20 0 GBADLO O=C(C(=O)N1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1)N1CCOCC1 ZINC000506181094 1072867797 /nfs/dbraw/zinc/86/77/97/1072867797.db2.gz YDVIDRISPRSOJA-UHFFFAOYSA-N 1 2 384.440 -0.230 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000506271020 1072896068 /nfs/dbraw/zinc/89/60/68/1072896068.db2.gz PJSFLKHMPMHAME-UHFFFAOYSA-N 1 2 395.441 -0.470 20 0 GBADLO Cn1cc(-c2nc([C@@H]3COCCN3C[C@H](O)C[NH+]3CCOCC3)no2)cn1 ZINC000506293293 1072897659 /nfs/dbraw/zinc/89/76/59/1072897659.db2.gz RMZDSYSECJZNBJ-CABCVRRESA-N 1 2 378.433 -0.464 20 0 GBADLO Cn1cc(-c2nc([C@@H]3COCCN3C[C@@H](O)C[NH+]3CCOCC3)no2)cn1 ZINC000506293295 1072897764 /nfs/dbraw/zinc/89/77/64/1072897764.db2.gz RMZDSYSECJZNBJ-GJZGRUSLSA-N 1 2 378.433 -0.464 20 0 GBADLO Cn1cc(-c2nc([C@H]3COCCN3C[C@H](O)C[NH+]3CCOCC3)no2)cn1 ZINC000506293297 1072897328 /nfs/dbraw/zinc/89/73/28/1072897328.db2.gz RMZDSYSECJZNBJ-HUUCEWRRSA-N 1 2 378.433 -0.464 20 0 GBADLO Cn1cc(-c2nc([C@H]3COCCN3C[C@@H](O)C[NH+]3CCOCC3)no2)cn1 ZINC000506293298 1072898770 /nfs/dbraw/zinc/89/87/70/1072898770.db2.gz RMZDSYSECJZNBJ-LSDHHAIUSA-N 1 2 378.433 -0.464 20 0 GBADLO COC(=O)c1cnoc1CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000506385533 1072912713 /nfs/dbraw/zinc/91/27/13/1072912713.db2.gz ZELDTMRPRURHKO-UHFFFAOYSA-N 1 2 380.357 -0.526 20 0 GBADLO O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CC[NH+](CCO)CC1 ZINC000506502787 1072934123 /nfs/dbraw/zinc/93/41/23/1072934123.db2.gz NZBVBHOYHGKGQD-UHFFFAOYSA-N 1 2 382.486 -0.381 20 0 GBADLO O=C(COC(F)F)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000506524487 530451235 /nfs/dbraw/zinc/45/12/35/530451235.db2.gz GTGRAWKXOQCPEN-UHFFFAOYSA-N 1 2 378.401 -0.111 20 0 GBADLO O=S(=O)(N1CCOCC1)N1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000506568939 1072949129 /nfs/dbraw/zinc/94/91/29/1072949129.db2.gz UNXAGCMRLXMBQR-UHFFFAOYSA-N 1 2 392.485 -0.038 20 0 GBADLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000506581479 1072951587 /nfs/dbraw/zinc/95/15/87/1072951587.db2.gz YCPBNSROPOGIEJ-GOSISDBHSA-N 1 2 396.532 -0.264 20 0 GBADLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000506581479 1072951578 /nfs/dbraw/zinc/95/15/78/1072951578.db2.gz YCPBNSROPOGIEJ-GOSISDBHSA-N 1 2 396.532 -0.264 20 0 GBADLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000506581480 1072951842 /nfs/dbraw/zinc/95/18/42/1072951842.db2.gz YCPBNSROPOGIEJ-SFHVURJKSA-N 1 2 396.532 -0.264 20 0 GBADLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000506581480 1072951841 /nfs/dbraw/zinc/95/18/41/1072951841.db2.gz YCPBNSROPOGIEJ-SFHVURJKSA-N 1 2 396.532 -0.264 20 0 GBADLO COC(=O)C(C)(C)CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000506595974 1072953963 /nfs/dbraw/zinc/95/39/63/1072953963.db2.gz MDGCDKMJHQNTAQ-UHFFFAOYSA-N 1 2 395.460 -0.141 20 0 GBADLO CS[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000506650390 530451629 /nfs/dbraw/zinc/45/16/29/530451629.db2.gz GAPDNQWYAIKJHA-CYBMUJFWSA-N 1 2 379.552 -0.443 20 0 GBADLO CS[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000506650395 530451662 /nfs/dbraw/zinc/45/16/62/530451662.db2.gz GAPDNQWYAIKJHA-ZDUSSCGKSA-N 1 2 379.552 -0.443 20 0 GBADLO Cc1cc(N2CCC[C@H](N3CC[NH+](CCCS(N)(=O)=O)CC3)C2=O)n(C)n1 ZINC000506683139 1072969785 /nfs/dbraw/zinc/96/97/85/1072969785.db2.gz ZAKUJQQROZONCX-HNNXBMFYSA-N 1 2 398.533 -0.480 20 0 GBADLO Cc1cc(N2CCC[C@@H](N3CC[NH+](CCCS(N)(=O)=O)CC3)C2=O)n(C)n1 ZINC000506683144 1072970062 /nfs/dbraw/zinc/97/00/62/1072970062.db2.gz ZAKUJQQROZONCX-OAHLLOKOSA-N 1 2 398.533 -0.480 20 0 GBADLO CCS(=O)(=O)NCCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000506757797 530181825 /nfs/dbraw/zinc/18/18/25/530181825.db2.gz DPCBEMXJMMGKJA-UHFFFAOYSA-N 1 2 391.519 -0.631 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000506794863 1072994187 /nfs/dbraw/zinc/99/41/87/1072994187.db2.gz FIPAYSKYBYVLHD-GFCCVEGCSA-N 1 2 375.429 -0.146 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000506794865 1072994000 /nfs/dbraw/zinc/99/40/00/1072994000.db2.gz FIPAYSKYBYVLHD-LBPRGKRZSA-N 1 2 375.429 -0.146 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)S(N)(=O)=O ZINC000506842618 1073010780 /nfs/dbraw/zinc/01/07/80/1073010780.db2.gz VWFXVOXEOUXOHK-CHWSQXEVSA-N 1 2 397.501 -0.281 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)S(N)(=O)=O ZINC000506842623 1073010451 /nfs/dbraw/zinc/01/04/51/1073010451.db2.gz VWFXVOXEOUXOHK-OLZOCXBDSA-N 1 2 397.501 -0.281 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)S(N)(=O)=O ZINC000506842624 1073010829 /nfs/dbraw/zinc/01/08/29/1073010829.db2.gz VWFXVOXEOUXOHK-QWHCGFSZSA-N 1 2 397.501 -0.281 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)S(N)(=O)=O ZINC000506842626 1073010576 /nfs/dbraw/zinc/01/05/76/1073010576.db2.gz VWFXVOXEOUXOHK-STQMWFEESA-N 1 2 397.501 -0.281 20 0 GBADLO Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000507139324 1073048777 /nfs/dbraw/zinc/04/87/77/1073048777.db2.gz FAMAMXQOSSHAEQ-INIZCTEOSA-N 1 2 395.504 -0.763 20 0 GBADLO Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000507139344 1073048537 /nfs/dbraw/zinc/04/85/37/1073048537.db2.gz FAMAMXQOSSHAEQ-MRXNPFEDSA-N 1 2 395.504 -0.763 20 0 GBADLO C[C@H](NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCCF ZINC000507233418 1073052801 /nfs/dbraw/zinc/05/28/01/1073052801.db2.gz MRFYOWVHHXGTDQ-AWEZNQCLSA-N 1 2 394.451 -0.106 20 0 GBADLO C[C@@H](NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCCF ZINC000507233420 1073052890 /nfs/dbraw/zinc/05/28/90/1073052890.db2.gz MRFYOWVHHXGTDQ-CQSZACIVSA-N 1 2 394.451 -0.106 20 0 GBADLO CN(CCOCCO)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000507235624 1073052735 /nfs/dbraw/zinc/05/27/35/1073052735.db2.gz QIALNQCQGKULTE-UHFFFAOYSA-N 1 2 379.461 -0.229 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC[C@H]2CCOC2)CC1 ZINC000507245635 1073054027 /nfs/dbraw/zinc/05/40/27/1073054027.db2.gz APIQQZJZGYBWNI-INIZCTEOSA-N 1 2 382.505 -0.068 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC[C@H]2CCOC2)CC1 ZINC000507245635 1073054017 /nfs/dbraw/zinc/05/40/17/1073054017.db2.gz APIQQZJZGYBWNI-INIZCTEOSA-N 1 2 382.505 -0.068 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC[C@@H]2CCOC2)CC1 ZINC000507245650 1073053870 /nfs/dbraw/zinc/05/38/70/1073053870.db2.gz APIQQZJZGYBWNI-MRXNPFEDSA-N 1 2 382.505 -0.068 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC[C@@H]2CCOC2)CC1 ZINC000507245650 1073053858 /nfs/dbraw/zinc/05/38/58/1073053858.db2.gz APIQQZJZGYBWNI-MRXNPFEDSA-N 1 2 382.505 -0.068 20 0 GBADLO NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)N1CC[NH+](CCO)CC1 ZINC000507268518 1073055023 /nfs/dbraw/zinc/05/50/23/1073055023.db2.gz RTIVVEBQMOPVST-UHFFFAOYSA-N 1 2 384.396 -0.162 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@](C)(C(N)=O)c2ccccc2)CC1 ZINC000507318816 1073056755 /nfs/dbraw/zinc/05/67/55/1073056755.db2.gz SWOMJGKIJXOHMP-IBGZPJMESA-N 1 2 375.473 -0.791 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@](C)(C(N)=O)c2ccccc2)CC1 ZINC000507318954 1073056811 /nfs/dbraw/zinc/05/68/11/1073056811.db2.gz SWOMJGKIJXOHMP-LJQANCHMSA-N 1 2 375.473 -0.791 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCC[C@@H]2CCOC2)CC1 ZINC000507376283 1073057687 /nfs/dbraw/zinc/05/76/87/1073057687.db2.gz AIRPWCFRZMRTMY-CYBMUJFWSA-N 1 2 387.444 -0.445 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCC[C@H]2CCOC2)CC1 ZINC000507376285 1073057370 /nfs/dbraw/zinc/05/73/70/1073057370.db2.gz AIRPWCFRZMRTMY-ZDUSSCGKSA-N 1 2 387.444 -0.445 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](CCC2CCCCC2)CC(N)=O)CC1 ZINC000507436421 1073062548 /nfs/dbraw/zinc/06/25/48/1073062548.db2.gz USXPWIQDHREYNN-UHFFFAOYSA-N 1 2 395.548 -0.024 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](CCC2CCCCC2)CC(N)=O)CC1 ZINC000507436421 1073062541 /nfs/dbraw/zinc/06/25/41/1073062541.db2.gz USXPWIQDHREYNN-UHFFFAOYSA-N 1 2 395.548 -0.024 20 0 GBADLO COc1ccc(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1S(N)(=O)=O ZINC000507438940 1073063136 /nfs/dbraw/zinc/06/31/36/1073063136.db2.gz ZLFACJLXINEUGG-CYBMUJFWSA-N 1 2 386.474 -0.485 20 0 GBADLO COc1ccc(CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1S(N)(=O)=O ZINC000507438940 1073063124 /nfs/dbraw/zinc/06/31/24/1073063124.db2.gz ZLFACJLXINEUGG-CYBMUJFWSA-N 1 2 386.474 -0.485 20 0 GBADLO COc1ccc(CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1S(N)(=O)=O ZINC000507438944 1073063375 /nfs/dbraw/zinc/06/33/75/1073063375.db2.gz ZLFACJLXINEUGG-ZDUSSCGKSA-N 1 2 386.474 -0.485 20 0 GBADLO COc1ccc(CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1S(N)(=O)=O ZINC000507438944 1073063362 /nfs/dbraw/zinc/06/33/62/1073063362.db2.gz ZLFACJLXINEUGG-ZDUSSCGKSA-N 1 2 386.474 -0.485 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H]1CCN(C)C1=O ZINC000507441139 1073061239 /nfs/dbraw/zinc/06/12/39/1073061239.db2.gz KGWNYUPOCPMTEW-AWEZNQCLSA-N 1 2 375.429 -0.146 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000507441140 1073061455 /nfs/dbraw/zinc/06/14/55/1073061455.db2.gz KGWNYUPOCPMTEW-CQSZACIVSA-N 1 2 375.429 -0.146 20 0 GBADLO COCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000507482478 530452260 /nfs/dbraw/zinc/45/22/60/530452260.db2.gz MFNCBDQJPVUTAK-UHFFFAOYSA-N 1 2 392.503 -0.901 20 0 GBADLO CN(C)c1ncc(CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000507568556 1073068611 /nfs/dbraw/zinc/06/86/11/1073068611.db2.gz OVIWJTKJYDJVCU-INIZCTEOSA-N 1 2 390.488 -0.318 20 0 GBADLO CN(C)c1ncc(CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000507568561 1073068446 /nfs/dbraw/zinc/06/84/46/1073068446.db2.gz OVIWJTKJYDJVCU-MRXNPFEDSA-N 1 2 390.488 -0.318 20 0 GBADLO C[C@H](CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)S(N)(=O)=O ZINC000507687779 1073077419 /nfs/dbraw/zinc/07/74/19/1073077419.db2.gz MEXXNRAFJIONEF-CYBMUJFWSA-N 1 2 383.474 -0.696 20 0 GBADLO C[C@@H](CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)S(N)(=O)=O ZINC000507687780 1073077555 /nfs/dbraw/zinc/07/75/55/1073077555.db2.gz MEXXNRAFJIONEF-ZDUSSCGKSA-N 1 2 383.474 -0.696 20 0 GBADLO COCCCNC(=O)[C@H](C)N1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000507706920 1073077484 /nfs/dbraw/zinc/07/74/84/1073077484.db2.gz NBLVXVPNEYQALE-AWEZNQCLSA-N 1 2 383.493 -0.524 20 0 GBADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000507706920 1073077480 /nfs/dbraw/zinc/07/74/80/1073077480.db2.gz NBLVXVPNEYQALE-AWEZNQCLSA-N 1 2 383.493 -0.524 20 0 GBADLO COCCCNC(=O)[C@@H](C)N1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000507706922 1073077347 /nfs/dbraw/zinc/07/73/47/1073077347.db2.gz NBLVXVPNEYQALE-CQSZACIVSA-N 1 2 383.493 -0.524 20 0 GBADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000507706922 1073077339 /nfs/dbraw/zinc/07/73/39/1073077339.db2.gz NBLVXVPNEYQALE-CQSZACIVSA-N 1 2 383.493 -0.524 20 0 GBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC000507717552 1073077593 /nfs/dbraw/zinc/07/75/93/1073077593.db2.gz KGEHTIPLQFAMNX-UHFFFAOYSA-N 1 2 388.534 -0.091 20 0 GBADLO COc1ccc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cn1 ZINC000507894527 1073209368 /nfs/dbraw/zinc/20/93/68/1073209368.db2.gz PJMNXBDYVQUFKJ-UHFFFAOYSA-N 1 2 382.446 -0.235 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000507991050 1073213681 /nfs/dbraw/zinc/21/36/81/1073213681.db2.gz FFGYBJHBAPJJLJ-HNNXBMFYSA-N 1 2 387.488 -0.091 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000507991052 1073213814 /nfs/dbraw/zinc/21/38/14/1073213814.db2.gz FFGYBJHBAPJJLJ-OAHLLOKOSA-N 1 2 387.488 -0.091 20 0 GBADLO CCOC(=O)C(C)(C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000508011087 1073214206 /nfs/dbraw/zinc/21/42/06/1073214206.db2.gz MRXHOHMEFLGLNS-UHFFFAOYSA-N 1 2 381.433 -0.388 20 0 GBADLO CNC(=O)c1cccc(CCNC(=O)C(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000508034805 1073215200 /nfs/dbraw/zinc/21/52/00/1073215200.db2.gz JOEBBFMKPUKFCG-UHFFFAOYSA-N 1 2 376.457 -0.505 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCCc2cccc(C(=O)NC)c2)CC1 ZINC000508036140 1073215708 /nfs/dbraw/zinc/21/57/08/1073215708.db2.gz AZNNNCULPVPOJT-UHFFFAOYSA-N 1 2 390.484 -0.114 20 0 GBADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C)CC1 ZINC000508169936 1073219973 /nfs/dbraw/zinc/21/99/73/1073219973.db2.gz XNQPIGLXUJVIBQ-AWEZNQCLSA-N 1 2 388.476 -0.415 20 0 GBADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C)CC1 ZINC000508169937 1073220063 /nfs/dbraw/zinc/22/00/63/1073220063.db2.gz XNQPIGLXUJVIBQ-CQSZACIVSA-N 1 2 388.476 -0.415 20 0 GBADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000508342235 530453290 /nfs/dbraw/zinc/45/32/90/530453290.db2.gz USDWNROVJSNIFQ-CABCVRRESA-N 1 2 377.507 -0.610 20 0 GBADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000508342242 530453545 /nfs/dbraw/zinc/45/35/45/530453545.db2.gz USDWNROVJSNIFQ-GJZGRUSLSA-N 1 2 377.507 -0.610 20 0 GBADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000508342245 530453578 /nfs/dbraw/zinc/45/35/78/530453578.db2.gz USDWNROVJSNIFQ-HUUCEWRRSA-N 1 2 377.507 -0.610 20 0 GBADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000508342248 530453337 /nfs/dbraw/zinc/45/33/37/530453337.db2.gz USDWNROVJSNIFQ-LSDHHAIUSA-N 1 2 377.507 -0.610 20 0 GBADLO COC[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000508401961 530453440 /nfs/dbraw/zinc/45/34/40/530453440.db2.gz MEURAQXBZPXXKF-AWEZNQCLSA-N 1 2 377.511 -0.912 20 0 GBADLO COC[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000508401962 530453526 /nfs/dbraw/zinc/45/35/26/530453526.db2.gz MEURAQXBZPXXKF-CQSZACIVSA-N 1 2 377.511 -0.912 20 0 GBADLO C[C@@H]1CCS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508450669 1073380937 /nfs/dbraw/zinc/38/09/37/1073380937.db2.gz PGEKUPKPMAROBA-CABCVRRESA-N 1 2 387.502 -0.797 20 0 GBADLO C[C@H]1CCS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508450670 1073381006 /nfs/dbraw/zinc/38/10/06/1073381006.db2.gz PGEKUPKPMAROBA-GJZGRUSLSA-N 1 2 387.502 -0.797 20 0 GBADLO C[C@@H]1CCS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508450671 1073380843 /nfs/dbraw/zinc/38/08/43/1073380843.db2.gz PGEKUPKPMAROBA-HUUCEWRRSA-N 1 2 387.502 -0.797 20 0 GBADLO C[C@H]1CCS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000508450672 1073381054 /nfs/dbraw/zinc/38/10/54/1073381054.db2.gz PGEKUPKPMAROBA-LSDHHAIUSA-N 1 2 387.502 -0.797 20 0 GBADLO O=C(NCCCOCCO)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000508571064 1073614978 /nfs/dbraw/zinc/61/49/78/1073614978.db2.gz RAWCLNGDTQWNBW-UHFFFAOYSA-N 1 2 379.461 -0.182 20 0 GBADLO CC(C)Cn1ccnc1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000508814424 1073908542 /nfs/dbraw/zinc/90/85/42/1073908542.db2.gz WRJKPGVMIOLKFG-HNNXBMFYSA-N 1 2 381.477 -0.693 20 0 GBADLO CC(C)Cn1ccnc1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000508814431 1073907822 /nfs/dbraw/zinc/90/78/22/1073907822.db2.gz WRJKPGVMIOLKFG-OAHLLOKOSA-N 1 2 381.477 -0.693 20 0 GBADLO COCCN1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000508821193 1073908216 /nfs/dbraw/zinc/90/82/16/1073908216.db2.gz GETUHTNMDZVWCN-UHFFFAOYSA-N 1 2 391.476 -0.901 20 0 GBADLO O=S(=O)(CCNS(=O)(=O)N1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000508839850 530453754 /nfs/dbraw/zinc/45/37/54/530453754.db2.gz WSTJYMTVEVJYFQ-UHFFFAOYSA-N 1 2 389.503 -0.927 20 0 GBADLO C[C@@H]1CN(CCS(=O)(=O)N(C)C)[C@@H](C)C[N@H+]1CCS(=O)(=O)N(C)C ZINC000509007188 530453639 /nfs/dbraw/zinc/45/36/39/530453639.db2.gz PFTZIEZFVHIPHR-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1CN(CCS(=O)(=O)N(C)C)[C@@H](C)C[N@@H+]1CCS(=O)(=O)N(C)C ZINC000509007188 530453637 /nfs/dbraw/zinc/45/36/37/530453637.db2.gz PFTZIEZFVHIPHR-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)[C@@H](C)CN1CCS(=O)(=O)N(C)C ZINC000509007188 530453636 /nfs/dbraw/zinc/45/36/36/530453636.db2.gz PFTZIEZFVHIPHR-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)[C@@H](C)CN1CCS(=O)(=O)N(C)C ZINC000509007188 530453632 /nfs/dbraw/zinc/45/36/32/530453632.db2.gz PFTZIEZFVHIPHR-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO CCC[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CCN1CCS(=O)(=O)N(C)C ZINC000509008577 530453899 /nfs/dbraw/zinc/45/38/99/530453899.db2.gz YXVUGNKKVHBJEU-HNNXBMFYSA-N 1 2 398.595 -0.445 20 0 GBADLO CCC[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)CCN1CCS(=O)(=O)N(C)C ZINC000509008577 530453898 /nfs/dbraw/zinc/45/38/98/530453898.db2.gz YXVUGNKKVHBJEU-HNNXBMFYSA-N 1 2 398.595 -0.445 20 0 GBADLO CCC[C@H]1CN(CCS(=O)(=O)N(C)C)CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000509008577 530453896 /nfs/dbraw/zinc/45/38/96/530453896.db2.gz YXVUGNKKVHBJEU-HNNXBMFYSA-N 1 2 398.595 -0.445 20 0 GBADLO CCC[C@H]1CN(CCS(=O)(=O)N(C)C)CC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000509008577 530453894 /nfs/dbraw/zinc/45/38/94/530453894.db2.gz YXVUGNKKVHBJEU-HNNXBMFYSA-N 1 2 398.595 -0.445 20 0 GBADLO CCC[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CCN1CCS(=O)(=O)N(C)C ZINC000509008578 530453939 /nfs/dbraw/zinc/45/39/39/530453939.db2.gz YXVUGNKKVHBJEU-OAHLLOKOSA-N 1 2 398.595 -0.445 20 0 GBADLO CCC[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)CCN1CCS(=O)(=O)N(C)C ZINC000509008578 530453938 /nfs/dbraw/zinc/45/39/38/530453938.db2.gz YXVUGNKKVHBJEU-OAHLLOKOSA-N 1 2 398.595 -0.445 20 0 GBADLO CCC[C@@H]1CN(CCS(=O)(=O)N(C)C)CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000509008578 530453937 /nfs/dbraw/zinc/45/39/37/530453937.db2.gz YXVUGNKKVHBJEU-OAHLLOKOSA-N 1 2 398.595 -0.445 20 0 GBADLO CCC[C@@H]1CN(CCS(=O)(=O)N(C)C)CC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000509008578 530453936 /nfs/dbraw/zinc/45/39/36/530453936.db2.gz YXVUGNKKVHBJEU-OAHLLOKOSA-N 1 2 398.595 -0.445 20 0 GBADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000509070538 530453628 /nfs/dbraw/zinc/45/36/28/530453628.db2.gz RENVPDQEUIYQBX-HNNXBMFYSA-N 1 2 378.539 -0.573 20 0 GBADLO COCCCNC(=O)[C@H](C)N1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000509070538 530453627 /nfs/dbraw/zinc/45/36/27/530453627.db2.gz RENVPDQEUIYQBX-HNNXBMFYSA-N 1 2 378.539 -0.573 20 0 GBADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000509070539 530453913 /nfs/dbraw/zinc/45/39/13/530453913.db2.gz RENVPDQEUIYQBX-OAHLLOKOSA-N 1 2 378.539 -0.573 20 0 GBADLO COCCCNC(=O)[C@@H](C)N1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000509070539 530453911 /nfs/dbraw/zinc/45/39/11/530453911.db2.gz RENVPDQEUIYQBX-OAHLLOKOSA-N 1 2 378.539 -0.573 20 0 GBADLO CN(C[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000509112144 530454262 /nfs/dbraw/zinc/45/42/62/530454262.db2.gz QLXGVWLVNRXJJM-HNNXBMFYSA-N 1 2 397.563 -0.358 20 0 GBADLO CN(C[C@H]1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000509112153 530454259 /nfs/dbraw/zinc/45/42/59/530454259.db2.gz QLXGVWLVNRXJJM-OAHLLOKOSA-N 1 2 397.563 -0.358 20 0 GBADLO CN(C)S(=O)(=O)CC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000509259008 530454225 /nfs/dbraw/zinc/45/42/25/530454225.db2.gz CJMCRXCUTKBLGM-UHFFFAOYSA-N 1 2 376.504 -0.653 20 0 GBADLO COC(=O)[C@H](CC(C)C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509276455 530454162 /nfs/dbraw/zinc/45/41/62/530454162.db2.gz KIIGFBPLORQQDM-HNNXBMFYSA-N 1 2 376.523 -0.316 20 0 GBADLO COC(=O)[C@@H](CC(C)C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509276456 530453978 /nfs/dbraw/zinc/45/39/78/530453978.db2.gz KIIGFBPLORQQDM-OAHLLOKOSA-N 1 2 376.523 -0.316 20 0 GBADLO CN(C)S(=O)(=O)CCN1CC[N@@H+](CCS(=O)(=O)N(C)C)C(C)(C)C1 ZINC000509340874 530454028 /nfs/dbraw/zinc/45/40/28/530454028.db2.gz DEUKZHPPQUNDIK-UHFFFAOYSA-N 1 2 384.568 -0.835 20 0 GBADLO CN(C)S(=O)(=O)CCN1CC[N@H+](CCS(=O)(=O)N(C)C)C(C)(C)C1 ZINC000509340874 530454026 /nfs/dbraw/zinc/45/40/26/530454026.db2.gz DEUKZHPPQUNDIK-UHFFFAOYSA-N 1 2 384.568 -0.835 20 0 GBADLO CN(C)S(=O)(=O)CCN1CC[N@@H+](CCS(=O)(=O)N(C)C)CC1(C)C ZINC000509340874 530454024 /nfs/dbraw/zinc/45/40/24/530454024.db2.gz DEUKZHPPQUNDIK-UHFFFAOYSA-N 1 2 384.568 -0.835 20 0 GBADLO CN(C)S(=O)(=O)CCN1CC[N@H+](CCS(=O)(=O)N(C)C)CC1(C)C ZINC000509340874 530454021 /nfs/dbraw/zinc/45/40/21/530454021.db2.gz DEUKZHPPQUNDIK-UHFFFAOYSA-N 1 2 384.568 -0.835 20 0 GBADLO COCc1nc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000509405483 530454528 /nfs/dbraw/zinc/45/45/28/530454528.db2.gz URKAKFIKGILYCN-UHFFFAOYSA-N 1 2 389.547 -0.101 20 0 GBADLO O=C1[C@@H](Nc2cc(N[C@H]3CCCN(CCO)C3=O)[nH+]cn2)CCCN1CCO ZINC000509621667 1073311035 /nfs/dbraw/zinc/31/10/35/1073311035.db2.gz BAXYZTBEVCTACE-KBPBESRZSA-N 1 2 392.460 -0.733 20 0 GBADLO O=C1[C@H](Nc2cc(N[C@H]3CCCN(CCO)C3=O)[nH+]cn2)CCCN1CCO ZINC000509621670 1073311124 /nfs/dbraw/zinc/31/11/24/1073311124.db2.gz BAXYZTBEVCTACE-OKILXGFUSA-N 1 2 392.460 -0.733 20 0 GBADLO O=C1[C@H](Nc2cc(N[C@H]3CCCN(CCO)C3=O)nc[nH+]2)CCCN1CCO ZINC000509621670 1073311119 /nfs/dbraw/zinc/31/11/19/1073311119.db2.gz BAXYZTBEVCTACE-OKILXGFUSA-N 1 2 392.460 -0.733 20 0 GBADLO O=C1[C@H](Nc2cc(N[C@@H]3CCCN(CCO)C3=O)[nH+]cn2)CCCN1CCO ZINC000509621672 1073310791 /nfs/dbraw/zinc/31/07/91/1073310791.db2.gz BAXYZTBEVCTACE-ZIAGYGMSSA-N 1 2 392.460 -0.733 20 0 GBADLO CO[C@H](C)c1nsc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000509676509 530454861 /nfs/dbraw/zinc/45/48/61/530454861.db2.gz ASWBTMBYNDBIAK-GFCCVEGCSA-N 1 2 390.535 -0.140 20 0 GBADLO CO[C@@H](C)c1nsc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000509676510 530455096 /nfs/dbraw/zinc/45/50/96/530455096.db2.gz ASWBTMBYNDBIAK-LBPRGKRZSA-N 1 2 390.535 -0.140 20 0 GBADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000509677450 530455067 /nfs/dbraw/zinc/45/50/67/530455067.db2.gz AAKRBQWBZSAVJP-UHFFFAOYSA-N 1 2 390.531 -0.392 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC1 ZINC000509809693 1073894141 /nfs/dbraw/zinc/89/41/41/1073894141.db2.gz NJCYQNVGMSNQGH-UHFFFAOYSA-N 1 2 376.457 -0.279 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC1 ZINC000509809693 1073894127 /nfs/dbraw/zinc/89/41/27/1073894127.db2.gz NJCYQNVGMSNQGH-UHFFFAOYSA-N 1 2 376.457 -0.279 20 0 GBADLO O=C(CNC(=O)Cc1ccc(O)cc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000509820547 1073895503 /nfs/dbraw/zinc/89/55/03/1073895503.db2.gz AFYVRCKOCOCBRZ-UHFFFAOYSA-N 1 2 398.467 -0.221 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN([C@@H](C)C(=O)NC(=O)NCC)CC1 ZINC000509861656 1073907426 /nfs/dbraw/zinc/90/74/26/1073907426.db2.gz COLJGYVMJLUEHN-BETUJISGSA-N 1 2 384.481 -0.538 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN([C@@H](C)C(=O)NC(=O)NCC)CC1 ZINC000509861656 1073907419 /nfs/dbraw/zinc/90/74/19/1073907419.db2.gz COLJGYVMJLUEHN-BETUJISGSA-N 1 2 384.481 -0.538 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)CC1 ZINC000509861656 1073907414 /nfs/dbraw/zinc/90/74/14/1073907414.db2.gz COLJGYVMJLUEHN-BETUJISGSA-N 1 2 384.481 -0.538 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)CC1 ZINC000509861656 1073907408 /nfs/dbraw/zinc/90/74/08/1073907408.db2.gz COLJGYVMJLUEHN-BETUJISGSA-N 1 2 384.481 -0.538 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+]([C@H](C)C(=O)NC(=O)NCC)CC1 ZINC000509861670 1073907082 /nfs/dbraw/zinc/90/70/82/1073907082.db2.gz COLJGYVMJLUEHN-CHWSQXEVSA-N 1 2 384.481 -0.538 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NCC)CC1 ZINC000509861670 1073907073 /nfs/dbraw/zinc/90/70/73/1073907073.db2.gz COLJGYVMJLUEHN-CHWSQXEVSA-N 1 2 384.481 -0.538 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)N1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)CC1 ZINC000509861672 1073907328 /nfs/dbraw/zinc/90/73/28/1073907328.db2.gz COLJGYVMJLUEHN-STQMWFEESA-N 1 2 384.481 -0.538 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)CC1 ZINC000509861672 1073907321 /nfs/dbraw/zinc/90/73/21/1073907321.db2.gz COLJGYVMJLUEHN-STQMWFEESA-N 1 2 384.481 -0.538 20 0 GBADLO O=C(CN1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)CC1)NC[C@@H]1CCCO1 ZINC000509886520 1073911202 /nfs/dbraw/zinc/91/12/02/1073911202.db2.gz ORWFFIPAYPPJJQ-CALCHBBNSA-N 1 2 382.505 -0.416 20 0 GBADLO O=C(CN1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)CC1)NC[C@@H]1CCCO1 ZINC000509886520 1073911195 /nfs/dbraw/zinc/91/11/95/1073911195.db2.gz ORWFFIPAYPPJJQ-CALCHBBNSA-N 1 2 382.505 -0.416 20 0 GBADLO O=C(CN1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)CC1)NC[C@H]1CCCO1 ZINC000509886520 1073911184 /nfs/dbraw/zinc/91/11/84/1073911184.db2.gz ORWFFIPAYPPJJQ-CALCHBBNSA-N 1 2 382.505 -0.416 20 0 GBADLO O=C(CN1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)CC1)NC[C@H]1CCCO1 ZINC000509886520 1073911177 /nfs/dbraw/zinc/91/11/77/1073911177.db2.gz ORWFFIPAYPPJJQ-CALCHBBNSA-N 1 2 382.505 -0.416 20 0 GBADLO O=C(CN1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)CC1)NC[C@H]1CCCO1 ZINC000509886521 1073911269 /nfs/dbraw/zinc/91/12/69/1073911269.db2.gz ORWFFIPAYPPJJQ-IAGOWNOFSA-N 1 2 382.505 -0.416 20 0 GBADLO O=C(CN1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)CC1)NC[C@H]1CCCO1 ZINC000509886521 1073911263 /nfs/dbraw/zinc/91/12/63/1073911263.db2.gz ORWFFIPAYPPJJQ-IAGOWNOFSA-N 1 2 382.505 -0.416 20 0 GBADLO O=C(CN1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)CC1)NC[C@@H]1CCCO1 ZINC000509886522 1073911016 /nfs/dbraw/zinc/91/10/16/1073911016.db2.gz ORWFFIPAYPPJJQ-IRXDYDNUSA-N 1 2 382.505 -0.416 20 0 GBADLO O=C(CN1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)CC1)NC[C@@H]1CCCO1 ZINC000509886522 1073911009 /nfs/dbraw/zinc/91/10/09/1073911009.db2.gz ORWFFIPAYPPJJQ-IRXDYDNUSA-N 1 2 382.505 -0.416 20 0 GBADLO CCCNC(=O)NC(=O)CN1CCC[N@@H+](CC(=O)NC(=O)NCCC)CC1 ZINC000509896664 1073912779 /nfs/dbraw/zinc/91/27/79/1073912779.db2.gz DMZXXNRNEMGPIH-UHFFFAOYSA-N 1 2 384.481 -0.534 20 0 GBADLO CCCNC(=O)NC(=O)CN1CCC[N@H+](CC(=O)NC(=O)NCCC)CC1 ZINC000509896664 1073912768 /nfs/dbraw/zinc/91/27/68/1073912768.db2.gz DMZXXNRNEMGPIH-UHFFFAOYSA-N 1 2 384.481 -0.534 20 0 GBADLO COCC[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509905723 530454917 /nfs/dbraw/zinc/45/49/17/530454917.db2.gz RGBZUFZKNOVOFQ-AWEZNQCLSA-N 1 2 377.511 -0.769 20 0 GBADLO COCC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509905724 530455072 /nfs/dbraw/zinc/45/50/72/530455072.db2.gz RGBZUFZKNOVOFQ-CQSZACIVSA-N 1 2 377.511 -0.769 20 0 GBADLO CN(C)c1nc(C[N@@H+](C)[C@@H]2CCN(c3nc4[nH][nH]cc-4c(=N)n3)C2)cc(=O)[nH]1 ZINC000509920987 1073956677 /nfs/dbraw/zinc/95/66/77/1073956677.db2.gz YFZLGFYODNQZGQ-LLVKDONJSA-N 1 2 384.448 -0.011 20 0 GBADLO CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(c3nc4[nH][nH]cc-4c(=N)n3)C2)cc(=O)[nH]1 ZINC000509920987 1073956673 /nfs/dbraw/zinc/95/66/73/1073956673.db2.gz YFZLGFYODNQZGQ-LLVKDONJSA-N 1 2 384.448 -0.011 20 0 GBADLO CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(c3nc4[nH][nH]cc-4c(=N)n3)C2)cc(=O)[nH]1 ZINC000509920988 1073956544 /nfs/dbraw/zinc/95/65/44/1073956544.db2.gz YFZLGFYODNQZGQ-NSHDSACASA-N 1 2 384.448 -0.011 20 0 GBADLO CN(C)c1nc(C[N@H+](C)[C@H]2CCN(c3nc4[nH][nH]cc-4c(=N)n3)C2)cc(=O)[nH]1 ZINC000509920988 1073956541 /nfs/dbraw/zinc/95/65/41/1073956541.db2.gz YFZLGFYODNQZGQ-NSHDSACASA-N 1 2 384.448 -0.011 20 0 GBADLO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000510080237 1072164673 /nfs/dbraw/zinc/16/46/73/1072164673.db2.gz SRUJSVQVHVPAEX-INIZCTEOSA-N 1 2 394.497 -0.390 20 0 GBADLO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000510080237 1072164667 /nfs/dbraw/zinc/16/46/67/1072164667.db2.gz SRUJSVQVHVPAEX-INIZCTEOSA-N 1 2 394.497 -0.390 20 0 GBADLO CC(C)(CNC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1)N1CCOCC1 ZINC000510220222 1072271707 /nfs/dbraw/zinc/27/17/07/1072271707.db2.gz CLQUXEUFJDTVDX-UHFFFAOYSA-N 1 2 390.550 -0.525 20 0 GBADLO COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510221809 530455606 /nfs/dbraw/zinc/45/56/06/530455606.db2.gz JSXHGLBKMGRAEF-AWEZNQCLSA-N 1 2 377.507 -0.049 20 0 GBADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510221810 530455663 /nfs/dbraw/zinc/45/56/63/530455663.db2.gz JSXHGLBKMGRAEF-CQSZACIVSA-N 1 2 377.507 -0.049 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510222813 530455596 /nfs/dbraw/zinc/45/55/96/530455596.db2.gz NOTVBWGJPXCTJJ-UHFFFAOYSA-N 1 2 376.523 -0.379 20 0 GBADLO CNC(=O)COc1cccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000510245740 1072279163 /nfs/dbraw/zinc/27/91/63/1072279163.db2.gz WWEVLYOKQCXNPL-UHFFFAOYSA-N 1 2 385.486 -0.047 20 0 GBADLO CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 ZINC000510254614 1072284308 /nfs/dbraw/zinc/28/43/08/1072284308.db2.gz HHTALCKNXTVSEB-KRWDZBQOSA-N 1 2 396.513 -0.149 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 ZINC000510254616 1072284328 /nfs/dbraw/zinc/28/43/28/1072284328.db2.gz HHTALCKNXTVSEB-QGZVFWFLSA-N 1 2 396.513 -0.149 20 0 GBADLO CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1)C(=O)OC ZINC000510261933 530455861 /nfs/dbraw/zinc/45/58/61/530455861.db2.gz YPGFOPFBLIOMCS-DOMZBBRYSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1)C(=O)OC ZINC000510261934 530455872 /nfs/dbraw/zinc/45/58/72/530455872.db2.gz YPGFOPFBLIOMCS-IUODEOHRSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1)C(=O)OC ZINC000510261935 530455851 /nfs/dbraw/zinc/45/58/51/530455851.db2.gz YPGFOPFBLIOMCS-SWLSCSKDSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1)C(=O)OC ZINC000510261936 530455837 /nfs/dbraw/zinc/45/58/37/530455837.db2.gz YPGFOPFBLIOMCS-WFASDCNBSA-N 1 2 377.507 -0.049 20 0 GBADLO C[C@H](NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1)C(=O)N1CCCCC1 ZINC000510265385 1072290532 /nfs/dbraw/zinc/29/05/32/1072290532.db2.gz DUZCXEVRTALILP-AWEZNQCLSA-N 1 2 388.534 -0.235 20 0 GBADLO C[C@@H](NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1)C(=O)N1CCCCC1 ZINC000510265387 1072290686 /nfs/dbraw/zinc/29/06/86/1072290686.db2.gz DUZCXEVRTALILP-CQSZACIVSA-N 1 2 388.534 -0.235 20 0 GBADLO O=C(CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCS(=O)(=O)C1 ZINC000510340338 1072486587 /nfs/dbraw/zinc/48/65/87/1072486587.db2.gz JHNYUGBJIKNJNP-KBPBESRZSA-N 1 2 395.485 -0.347 20 0 GBADLO O=C(CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCS(=O)(=O)C1 ZINC000510340339 1072486748 /nfs/dbraw/zinc/48/67/48/1072486748.db2.gz JHNYUGBJIKNJNP-KGLIPLIRSA-N 1 2 395.485 -0.347 20 0 GBADLO O=C(CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000510340340 1072486995 /nfs/dbraw/zinc/48/69/95/1072486995.db2.gz JHNYUGBJIKNJNP-UONOGXRCSA-N 1 2 395.485 -0.347 20 0 GBADLO O=C(CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000510340341 1072486652 /nfs/dbraw/zinc/48/66/52/1072486652.db2.gz JHNYUGBJIKNJNP-ZIAGYGMSSA-N 1 2 395.485 -0.347 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](NS(C)(=O)=O)[C@@H](C)CC)CC1 ZINC000510343086 530455844 /nfs/dbraw/zinc/45/58/44/530455844.db2.gz QMQYKNAJJLQBEA-DZGCQCFKSA-N 1 2 376.523 -0.379 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](NS(C)(=O)=O)[C@@H](C)CC)CC1 ZINC000510343086 530455843 /nfs/dbraw/zinc/45/58/43/530455843.db2.gz QMQYKNAJJLQBEA-DZGCQCFKSA-N 1 2 376.523 -0.379 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)[C@H](C)CC)CC1 ZINC000510343087 530455939 /nfs/dbraw/zinc/45/59/39/530455939.db2.gz QMQYKNAJJLQBEA-HIFRSBDPSA-N 1 2 376.523 -0.379 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)[C@H](C)CC)CC1 ZINC000510343087 530455937 /nfs/dbraw/zinc/45/59/37/530455937.db2.gz QMQYKNAJJLQBEA-HIFRSBDPSA-N 1 2 376.523 -0.379 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](NS(C)(=O)=O)[C@H](C)CC)CC1 ZINC000510343088 530455719 /nfs/dbraw/zinc/45/57/19/530455719.db2.gz QMQYKNAJJLQBEA-UKRRQHHQSA-N 1 2 376.523 -0.379 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](NS(C)(=O)=O)[C@H](C)CC)CC1 ZINC000510343088 530455716 /nfs/dbraw/zinc/45/57/16/530455716.db2.gz QMQYKNAJJLQBEA-UKRRQHHQSA-N 1 2 376.523 -0.379 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)[C@@H](C)CC)CC1 ZINC000510343089 530455898 /nfs/dbraw/zinc/45/58/98/530455898.db2.gz QMQYKNAJJLQBEA-ZFWWWQNUSA-N 1 2 376.523 -0.379 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)[C@@H](C)CC)CC1 ZINC000510343089 530455897 /nfs/dbraw/zinc/45/58/97/530455897.db2.gz QMQYKNAJJLQBEA-ZFWWWQNUSA-N 1 2 376.523 -0.379 20 0 GBADLO CC[C@H](C)[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CCN1CCNS(C)(=O)=O ZINC000510358684 530455891 /nfs/dbraw/zinc/45/58/91/530455891.db2.gz PEGBTZRRRLTLTC-KBPBESRZSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@H](C)[C@@H]1C[N@H+](CCNS(C)(=O)=O)CCN1CCNS(C)(=O)=O ZINC000510358684 530455888 /nfs/dbraw/zinc/45/58/88/530455888.db2.gz PEGBTZRRRLTLTC-KBPBESRZSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@@H](C)[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CCN1CCNS(C)(=O)=O ZINC000510358685 530455636 /nfs/dbraw/zinc/45/56/36/530455636.db2.gz PEGBTZRRRLTLTC-KGLIPLIRSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@@H](C)[C@@H]1C[N@H+](CCNS(C)(=O)=O)CCN1CCNS(C)(=O)=O ZINC000510358685 530455635 /nfs/dbraw/zinc/45/56/35/530455635.db2.gz PEGBTZRRRLTLTC-KGLIPLIRSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@H](C)[C@H]1C[N@@H+](CCNS(C)(=O)=O)CCN1CCNS(C)(=O)=O ZINC000510358686 530455759 /nfs/dbraw/zinc/45/57/59/530455759.db2.gz PEGBTZRRRLTLTC-UONOGXRCSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@H](C)[C@H]1C[N@H+](CCNS(C)(=O)=O)CCN1CCNS(C)(=O)=O ZINC000510358686 530455757 /nfs/dbraw/zinc/45/57/57/530455757.db2.gz PEGBTZRRRLTLTC-UONOGXRCSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@@H](C)[C@H]1C[N@@H+](CCNS(C)(=O)=O)CCN1CCNS(C)(=O)=O ZINC000510358883 530455748 /nfs/dbraw/zinc/45/57/48/530455748.db2.gz PEGBTZRRRLTLTC-ZIAGYGMSSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@@H](C)[C@H]1C[N@H+](CCNS(C)(=O)=O)CCN1CCNS(C)(=O)=O ZINC000510358883 530455746 /nfs/dbraw/zinc/45/57/46/530455746.db2.gz PEGBTZRRRLTLTC-ZIAGYGMSSA-N 1 2 384.568 -0.883 20 0 GBADLO CCS(=O)(=O)NCCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000510362062 1072523057 /nfs/dbraw/zinc/52/30/57/1072523057.db2.gz MHADRVHBGJYMAN-UHFFFAOYSA-N 1 2 398.533 -0.235 20 0 GBADLO CCS(=O)(=O)NCCC[NH+]1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000510388743 530455612 /nfs/dbraw/zinc/45/56/12/530455612.db2.gz ITMNZMNIAYNSBI-UHFFFAOYSA-N 1 2 385.552 -0.312 20 0 GBADLO CCNC(=O)NC(=O)CN1CC[N@@H+](CC(=O)NC(=O)NCC)[C@H]([C@@H](C)CC)C1 ZINC000510389268 1072567290 /nfs/dbraw/zinc/56/72/90/1072567290.db2.gz MEDTWZOQIXWNQK-KBPBESRZSA-N 1 2 398.508 -0.290 20 0 GBADLO CCNC(=O)NC(=O)CN1CC[N@H+](CC(=O)NC(=O)NCC)[C@H]([C@@H](C)CC)C1 ZINC000510389268 1072567279 /nfs/dbraw/zinc/56/72/79/1072567279.db2.gz MEDTWZOQIXWNQK-KBPBESRZSA-N 1 2 398.508 -0.290 20 0 GBADLO CCNC(=O)NC(=O)CN1CC[N@@H+](CC(=O)NC(=O)NCC)[C@H]([C@H](C)CC)C1 ZINC000510389271 1072567814 /nfs/dbraw/zinc/56/78/14/1072567814.db2.gz MEDTWZOQIXWNQK-KGLIPLIRSA-N 1 2 398.508 -0.290 20 0 GBADLO CCNC(=O)NC(=O)CN1CC[N@H+](CC(=O)NC(=O)NCC)[C@H]([C@H](C)CC)C1 ZINC000510389271 1072567804 /nfs/dbraw/zinc/56/78/04/1072567804.db2.gz MEDTWZOQIXWNQK-KGLIPLIRSA-N 1 2 398.508 -0.290 20 0 GBADLO CCNC(=O)NC(=O)CN1CC[N@@H+](CC(=O)NC(=O)NCC)[C@@H]([C@@H](C)CC)C1 ZINC000510389272 1072567186 /nfs/dbraw/zinc/56/71/86/1072567186.db2.gz MEDTWZOQIXWNQK-UONOGXRCSA-N 1 2 398.508 -0.290 20 0 GBADLO CCNC(=O)NC(=O)CN1CC[N@H+](CC(=O)NC(=O)NCC)[C@@H]([C@@H](C)CC)C1 ZINC000510389272 1072567178 /nfs/dbraw/zinc/56/71/78/1072567178.db2.gz MEDTWZOQIXWNQK-UONOGXRCSA-N 1 2 398.508 -0.290 20 0 GBADLO CCNC(=O)NC(=O)CN1CC[N@@H+](CC(=O)NC(=O)NCC)[C@@H]([C@H](C)CC)C1 ZINC000510389274 1072567159 /nfs/dbraw/zinc/56/71/59/1072567159.db2.gz MEDTWZOQIXWNQK-ZIAGYGMSSA-N 1 2 398.508 -0.290 20 0 GBADLO CCNC(=O)NC(=O)CN1CC[N@H+](CC(=O)NC(=O)NCC)[C@@H]([C@H](C)CC)C1 ZINC000510389274 1072567145 /nfs/dbraw/zinc/56/71/45/1072567145.db2.gz MEDTWZOQIXWNQK-ZIAGYGMSSA-N 1 2 398.508 -0.290 20 0 GBADLO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1C ZINC000510393774 1072570353 /nfs/dbraw/zinc/57/03/53/1072570353.db2.gz IXQOBSJUZJAXLE-CYBMUJFWSA-N 1 2 378.458 -0.203 20 0 GBADLO Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1C ZINC000510393776 1072570443 /nfs/dbraw/zinc/57/04/43/1072570443.db2.gz IXQOBSJUZJAXLE-ZDUSSCGKSA-N 1 2 378.458 -0.203 20 0 GBADLO CS(=O)(=O)NCC1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000510449269 530456105 /nfs/dbraw/zinc/45/61/05/530456105.db2.gz GIQGKAVMXLCQQH-UHFFFAOYSA-N 1 2 383.536 -0.700 20 0 GBADLO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000510450734 1072155223 /nfs/dbraw/zinc/15/52/23/1072155223.db2.gz FHBIXRRENTUMGY-CABCVRRESA-N 1 2 398.533 -0.321 20 0 GBADLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000510450735 1072155293 /nfs/dbraw/zinc/15/52/93/1072155293.db2.gz FHBIXRRENTUMGY-GJZGRUSLSA-N 1 2 398.533 -0.321 20 0 GBADLO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000510450736 1072155347 /nfs/dbraw/zinc/15/53/47/1072155347.db2.gz FHBIXRRENTUMGY-HUUCEWRRSA-N 1 2 398.533 -0.321 20 0 GBADLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000510450737 1072155387 /nfs/dbraw/zinc/15/53/87/1072155387.db2.gz FHBIXRRENTUMGY-LSDHHAIUSA-N 1 2 398.533 -0.321 20 0 GBADLO O=C(CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)Nc1cccnc1 ZINC000510563304 1072214130 /nfs/dbraw/zinc/21/41/30/1072214130.db2.gz ASKXRJRUZOYORJ-UHFFFAOYSA-N 1 2 384.444 -0.069 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(c2cccnn2)CC1 ZINC000510565087 1072213983 /nfs/dbraw/zinc/21/39/83/1072213983.db2.gz NTCKOCVRWBVRNU-UHFFFAOYSA-N 1 2 397.487 -0.080 20 0 GBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)CC1 ZINC000510571587 1072213939 /nfs/dbraw/zinc/21/39/39/1072213939.db2.gz PRCZWOKDXBTCOF-FQEVSTJZSA-N 1 2 396.532 -0.073 20 0 GBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)CC1 ZINC000510571587 1072213928 /nfs/dbraw/zinc/21/39/28/1072213928.db2.gz PRCZWOKDXBTCOF-FQEVSTJZSA-N 1 2 396.532 -0.073 20 0 GBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)CC1 ZINC000510571588 1072214291 /nfs/dbraw/zinc/21/42/91/1072214291.db2.gz PRCZWOKDXBTCOF-HXUWFJFHSA-N 1 2 396.532 -0.073 20 0 GBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)CC1 ZINC000510571588 1072214283 /nfs/dbraw/zinc/21/42/83/1072214283.db2.gz PRCZWOKDXBTCOF-HXUWFJFHSA-N 1 2 396.532 -0.073 20 0 GBADLO CCS(=O)(=O)NCCCN1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000510582901 530456210 /nfs/dbraw/zinc/45/62/10/530456210.db2.gz GNZDVZWJTNXPDA-HNNXBMFYSA-N 1 2 376.523 -0.819 20 0 GBADLO CCS(=O)(=O)NCCC[NH+]1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000510582901 530456208 /nfs/dbraw/zinc/45/62/08/530456208.db2.gz GNZDVZWJTNXPDA-HNNXBMFYSA-N 1 2 376.523 -0.819 20 0 GBADLO CCS(=O)(=O)NCCCN1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000510582902 530456145 /nfs/dbraw/zinc/45/61/45/530456145.db2.gz GNZDVZWJTNXPDA-OAHLLOKOSA-N 1 2 376.523 -0.819 20 0 GBADLO CCS(=O)(=O)NCCC[NH+]1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000510582902 530456142 /nfs/dbraw/zinc/45/61/42/530456142.db2.gz GNZDVZWJTNXPDA-OAHLLOKOSA-N 1 2 376.523 -0.819 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000510658941 530456605 /nfs/dbraw/zinc/45/66/05/530456605.db2.gz OXVWBTSJJOIIBT-LLVKDONJSA-N 1 2 376.460 -0.975 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000510658941 530456603 /nfs/dbraw/zinc/45/66/03/530456603.db2.gz OXVWBTSJJOIIBT-LLVKDONJSA-N 1 2 376.460 -0.975 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000510658971 530456729 /nfs/dbraw/zinc/45/67/29/530456729.db2.gz OXVWBTSJJOIIBT-NSHDSACASA-N 1 2 376.460 -0.975 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000510658971 530456728 /nfs/dbraw/zinc/45/67/28/530456728.db2.gz OXVWBTSJJOIIBT-NSHDSACASA-N 1 2 376.460 -0.975 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000510681445 1072221723 /nfs/dbraw/zinc/22/17/23/1072221723.db2.gz LCZBGDZRVQCCHI-GFCCVEGCSA-N 1 2 398.441 -0.141 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000510681445 1072221716 /nfs/dbraw/zinc/22/17/16/1072221716.db2.gz LCZBGDZRVQCCHI-GFCCVEGCSA-N 1 2 398.441 -0.141 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000510681446 1072221381 /nfs/dbraw/zinc/22/13/81/1072221381.db2.gz LCZBGDZRVQCCHI-LBPRGKRZSA-N 1 2 398.441 -0.141 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000510681446 1072221377 /nfs/dbraw/zinc/22/13/77/1072221377.db2.gz LCZBGDZRVQCCHI-LBPRGKRZSA-N 1 2 398.441 -0.141 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000510686071 1072222292 /nfs/dbraw/zinc/22/22/92/1072222292.db2.gz VBYVWUDNEBFWTB-LLVKDONJSA-N 1 2 384.414 -0.184 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000510686071 1072222282 /nfs/dbraw/zinc/22/22/82/1072222282.db2.gz VBYVWUDNEBFWTB-LLVKDONJSA-N 1 2 384.414 -0.184 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000510686072 1072222700 /nfs/dbraw/zinc/22/27/00/1072222700.db2.gz VBYVWUDNEBFWTB-NSHDSACASA-N 1 2 384.414 -0.184 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000510686072 1072222692 /nfs/dbraw/zinc/22/26/92/1072222692.db2.gz VBYVWUDNEBFWTB-NSHDSACASA-N 1 2 384.414 -0.184 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000510698893 530456439 /nfs/dbraw/zinc/45/64/39/530456439.db2.gz LGSOYQIVNCOFNI-LLVKDONJSA-N 1 2 376.460 -0.975 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000510698893 530456436 /nfs/dbraw/zinc/45/64/36/530456436.db2.gz LGSOYQIVNCOFNI-LLVKDONJSA-N 1 2 376.460 -0.975 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000510698894 530456667 /nfs/dbraw/zinc/45/66/67/530456667.db2.gz LGSOYQIVNCOFNI-NSHDSACASA-N 1 2 376.460 -0.975 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000510698894 530456665 /nfs/dbraw/zinc/45/66/65/530456665.db2.gz LGSOYQIVNCOFNI-NSHDSACASA-N 1 2 376.460 -0.975 20 0 GBADLO NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000510700187 1072223618 /nfs/dbraw/zinc/22/36/18/1072223618.db2.gz MXHPWUNHYKJYJF-HNNXBMFYSA-N 1 2 382.486 -0.357 20 0 GBADLO NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000510700187 1072223608 /nfs/dbraw/zinc/22/36/08/1072223608.db2.gz MXHPWUNHYKJYJF-HNNXBMFYSA-N 1 2 382.486 -0.357 20 0 GBADLO NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000510700189 1072223482 /nfs/dbraw/zinc/22/34/82/1072223482.db2.gz MXHPWUNHYKJYJF-OAHLLOKOSA-N 1 2 382.486 -0.357 20 0 GBADLO NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000510700189 1072223478 /nfs/dbraw/zinc/22/34/78/1072223478.db2.gz MXHPWUNHYKJYJF-OAHLLOKOSA-N 1 2 382.486 -0.357 20 0 GBADLO CNC(=O)CCC[N@@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000510732288 1072231465 /nfs/dbraw/zinc/23/14/65/1072231465.db2.gz HNWAWEQACJAHJE-CABCVRRESA-N 1 2 389.518 -0.361 20 0 GBADLO CNC(=O)CCC[N@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000510732288 1072231454 /nfs/dbraw/zinc/23/14/54/1072231454.db2.gz HNWAWEQACJAHJE-CABCVRRESA-N 1 2 389.518 -0.361 20 0 GBADLO CNC(=O)CCC[N@@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000510732291 1072231138 /nfs/dbraw/zinc/23/11/38/1072231138.db2.gz HNWAWEQACJAHJE-GJZGRUSLSA-N 1 2 389.518 -0.361 20 0 GBADLO CNC(=O)CCC[N@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000510732291 1072231135 /nfs/dbraw/zinc/23/11/35/1072231135.db2.gz HNWAWEQACJAHJE-GJZGRUSLSA-N 1 2 389.518 -0.361 20 0 GBADLO CNC(=O)CCC[N@@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000510732292 1072231093 /nfs/dbraw/zinc/23/10/93/1072231093.db2.gz HNWAWEQACJAHJE-HUUCEWRRSA-N 1 2 389.518 -0.361 20 0 GBADLO CNC(=O)CCC[N@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000510732292 1072231090 /nfs/dbraw/zinc/23/10/90/1072231090.db2.gz HNWAWEQACJAHJE-HUUCEWRRSA-N 1 2 389.518 -0.361 20 0 GBADLO CNC(=O)CCC[N@@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000510732293 1072231538 /nfs/dbraw/zinc/23/15/38/1072231538.db2.gz HNWAWEQACJAHJE-LSDHHAIUSA-N 1 2 389.518 -0.361 20 0 GBADLO CNC(=O)CCC[N@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000510732293 1072231530 /nfs/dbraw/zinc/23/15/30/1072231530.db2.gz HNWAWEQACJAHJE-LSDHHAIUSA-N 1 2 389.518 -0.361 20 0 GBADLO Cc1nc(S(=O)(=O)NCC(=O)NCCc2cn3c([nH+]2)CCCC3)cn1C ZINC000510756494 1072232764 /nfs/dbraw/zinc/23/27/64/1072232764.db2.gz WJIMOOWMTYIBSP-UHFFFAOYSA-N 1 2 380.474 -0.101 20 0 GBADLO CN(C)S(=O)(=O)CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000510783259 530456404 /nfs/dbraw/zinc/45/64/04/530456404.db2.gz YLHAPFLNGNBZTF-UHFFFAOYSA-N 1 2 396.457 -0.672 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000510806842 1072235779 /nfs/dbraw/zinc/23/57/79/1072235779.db2.gz QBHDMVDHKWOLDV-HNNXBMFYSA-N 1 2 395.529 -0.382 20 0 GBADLO C[C@H](C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000510806843 1072235705 /nfs/dbraw/zinc/23/57/05/1072235705.db2.gz QBHDMVDHKWOLDV-OAHLLOKOSA-N 1 2 395.529 -0.382 20 0 GBADLO C[C@@H]1CN(CCS(=O)(=O)N(C)C)C[C@H](C)[N@@H+]1CCS(=O)(=O)N(C)C ZINC000510816564 530456530 /nfs/dbraw/zinc/45/65/30/530456530.db2.gz ZJPFSWHMURAJJS-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1CN(CCS(=O)(=O)N(C)C)C[C@H](C)[N@H+]1CCS(=O)(=O)N(C)C ZINC000510816564 530456527 /nfs/dbraw/zinc/45/65/27/530456527.db2.gz ZJPFSWHMURAJJS-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@H](C)N1CCS(=O)(=O)N(C)C ZINC000510816564 530456526 /nfs/dbraw/zinc/45/65/26/530456526.db2.gz ZJPFSWHMURAJJS-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H](C)N1CCS(=O)(=O)N(C)C ZINC000510816564 530456523 /nfs/dbraw/zinc/45/65/23/530456523.db2.gz ZJPFSWHMURAJJS-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO Cn1cc(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000510825818 1072238302 /nfs/dbraw/zinc/23/83/02/1072238302.db2.gz PLFFLDKCOJDGET-UHFFFAOYSA-N 1 2 392.485 -0.374 20 0 GBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000510857877 1072240088 /nfs/dbraw/zinc/24/00/88/1072240088.db2.gz URSKFSSJJLLMLS-DLBZAZTESA-N 1 2 399.536 -0.425 20 0 GBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000510857878 1072240276 /nfs/dbraw/zinc/24/02/76/1072240276.db2.gz URSKFSSJJLLMLS-IAGOWNOFSA-N 1 2 399.536 -0.425 20 0 GBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000510857879 1072240314 /nfs/dbraw/zinc/24/03/14/1072240314.db2.gz URSKFSSJJLLMLS-IRXDYDNUSA-N 1 2 399.536 -0.425 20 0 GBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000510857880 1072240382 /nfs/dbraw/zinc/24/03/82/1072240382.db2.gz URSKFSSJJLLMLS-SJORKVTESA-N 1 2 399.536 -0.425 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](COC)C2CC2)CC1 ZINC000510880014 1072241891 /nfs/dbraw/zinc/24/18/91/1072241891.db2.gz MRKGCWCYQBNNMX-INIZCTEOSA-N 1 2 382.505 -0.070 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](COC)C2CC2)CC1 ZINC000510880014 1072241886 /nfs/dbraw/zinc/24/18/86/1072241886.db2.gz MRKGCWCYQBNNMX-INIZCTEOSA-N 1 2 382.505 -0.070 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H](COC)C2CC2)CC1 ZINC000510880016 1072241683 /nfs/dbraw/zinc/24/16/83/1072241683.db2.gz MRKGCWCYQBNNMX-MRXNPFEDSA-N 1 2 382.505 -0.070 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H](COC)C2CC2)CC1 ZINC000510880016 1072241679 /nfs/dbraw/zinc/24/16/79/1072241679.db2.gz MRKGCWCYQBNNMX-MRXNPFEDSA-N 1 2 382.505 -0.070 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000510981663 530457080 /nfs/dbraw/zinc/45/70/80/530457080.db2.gz JUHWOTSNPPXTTR-CYBMUJFWSA-N 1 2 389.440 -0.109 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000510981667 530457074 /nfs/dbraw/zinc/45/70/74/530457074.db2.gz JUHWOTSNPPXTTR-ZDUSSCGKSA-N 1 2 389.440 -0.109 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511073529 530457078 /nfs/dbraw/zinc/45/70/78/530457078.db2.gz LFWPZDASHMJGNC-AWEZNQCLSA-N 1 2 376.523 -0.426 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511073529 530457077 /nfs/dbraw/zinc/45/70/77/530457077.db2.gz LFWPZDASHMJGNC-AWEZNQCLSA-N 1 2 376.523 -0.426 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511073530 530457123 /nfs/dbraw/zinc/45/71/23/530457123.db2.gz LFWPZDASHMJGNC-CQSZACIVSA-N 1 2 376.523 -0.426 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511073530 530457122 /nfs/dbraw/zinc/45/71/22/530457122.db2.gz LFWPZDASHMJGNC-CQSZACIVSA-N 1 2 376.523 -0.426 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000511088344 530457067 /nfs/dbraw/zinc/45/70/67/530457067.db2.gz GKHKTSDUTZGNCW-AWEZNQCLSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000511088344 530457066 /nfs/dbraw/zinc/45/70/66/530457066.db2.gz GKHKTSDUTZGNCW-AWEZNQCLSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000511088347 530456994 /nfs/dbraw/zinc/45/69/94/530456994.db2.gz GKHKTSDUTZGNCW-CQSZACIVSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)CC1 ZINC000511088347 530456993 /nfs/dbraw/zinc/45/69/93/530456993.db2.gz GKHKTSDUTZGNCW-CQSZACIVSA-N 1 2 375.491 -0.246 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000511097458 530456927 /nfs/dbraw/zinc/45/69/27/530456927.db2.gz VJJZTOVGXQUECA-AWEZNQCLSA-N 1 2 376.523 -0.285 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000511097458 530456925 /nfs/dbraw/zinc/45/69/25/530456925.db2.gz VJJZTOVGXQUECA-AWEZNQCLSA-N 1 2 376.523 -0.285 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000511097459 530457096 /nfs/dbraw/zinc/45/70/96/530457096.db2.gz VJJZTOVGXQUECA-CQSZACIVSA-N 1 2 376.523 -0.285 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000511097459 530457095 /nfs/dbraw/zinc/45/70/95/530457095.db2.gz VJJZTOVGXQUECA-CQSZACIVSA-N 1 2 376.523 -0.285 20 0 GBADLO CN(C[C@H]1CCC[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)C1)S(C)(=O)=O ZINC000511122752 530457450 /nfs/dbraw/zinc/45/74/50/530457450.db2.gz IOXUNNAQIZMUJP-CYBMUJFWSA-N 1 2 376.523 -0.379 20 0 GBADLO CN(C[C@H]1CCC[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C1)S(C)(=O)=O ZINC000511122752 530457449 /nfs/dbraw/zinc/45/74/49/530457449.db2.gz IOXUNNAQIZMUJP-CYBMUJFWSA-N 1 2 376.523 -0.379 20 0 GBADLO CN(C[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)C1)S(C)(=O)=O ZINC000511122760 530457469 /nfs/dbraw/zinc/45/74/69/530457469.db2.gz IOXUNNAQIZMUJP-ZDUSSCGKSA-N 1 2 376.523 -0.379 20 0 GBADLO CN(C[C@@H]1CCC[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C1)S(C)(=O)=O ZINC000511122760 530457467 /nfs/dbraw/zinc/45/74/67/530457467.db2.gz IOXUNNAQIZMUJP-ZDUSSCGKSA-N 1 2 376.523 -0.379 20 0 GBADLO CN(C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1)S(C)(=O)=O ZINC000511139370 530457256 /nfs/dbraw/zinc/45/72/56/530457256.db2.gz HWXSBRPUUYKMFL-JTQLQIEISA-N 1 2 388.412 -0.022 20 0 GBADLO CN(C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1)S(C)(=O)=O ZINC000511139370 530457252 /nfs/dbraw/zinc/45/72/52/530457252.db2.gz HWXSBRPUUYKMFL-JTQLQIEISA-N 1 2 388.412 -0.022 20 0 GBADLO CN(C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1)S(C)(=O)=O ZINC000511139372 530457381 /nfs/dbraw/zinc/45/73/81/530457381.db2.gz HWXSBRPUUYKMFL-SNVBAGLBSA-N 1 2 388.412 -0.022 20 0 GBADLO CN(C[C@H]1CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1)S(C)(=O)=O ZINC000511139372 530457380 /nfs/dbraw/zinc/45/73/80/530457380.db2.gz HWXSBRPUUYKMFL-SNVBAGLBSA-N 1 2 388.412 -0.022 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511145002 530457421 /nfs/dbraw/zinc/45/74/21/530457421.db2.gz UVMNTYDRQDRBOD-CHWSQXEVSA-N 1 2 378.495 -0.550 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511145002 530457420 /nfs/dbraw/zinc/45/74/20/530457420.db2.gz UVMNTYDRQDRBOD-CHWSQXEVSA-N 1 2 378.495 -0.550 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511145011 530457357 /nfs/dbraw/zinc/45/73/57/530457357.db2.gz UVMNTYDRQDRBOD-OLZOCXBDSA-N 1 2 378.495 -0.550 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511145011 530457356 /nfs/dbraw/zinc/45/73/56/530457356.db2.gz UVMNTYDRQDRBOD-OLZOCXBDSA-N 1 2 378.495 -0.550 20 0 GBADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511145013 530457341 /nfs/dbraw/zinc/45/73/41/530457341.db2.gz UVMNTYDRQDRBOD-QWHCGFSZSA-N 1 2 378.495 -0.550 20 0 GBADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511145013 530457339 /nfs/dbraw/zinc/45/73/39/530457339.db2.gz UVMNTYDRQDRBOD-QWHCGFSZSA-N 1 2 378.495 -0.550 20 0 GBADLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511145014 530457331 /nfs/dbraw/zinc/45/73/31/530457331.db2.gz UVMNTYDRQDRBOD-STQMWFEESA-N 1 2 378.495 -0.550 20 0 GBADLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511145014 530457330 /nfs/dbraw/zinc/45/73/30/530457330.db2.gz UVMNTYDRQDRBOD-STQMWFEESA-N 1 2 378.495 -0.550 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511145849 1072364172 /nfs/dbraw/zinc/36/41/72/1072364172.db2.gz WQUAKSLRZQQJCH-HNNXBMFYSA-N 1 2 390.550 -0.037 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000511145849 1072364161 /nfs/dbraw/zinc/36/41/61/1072364161.db2.gz WQUAKSLRZQQJCH-HNNXBMFYSA-N 1 2 390.550 -0.037 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511145853 1072364245 /nfs/dbraw/zinc/36/42/45/1072364245.db2.gz WQUAKSLRZQQJCH-OAHLLOKOSA-N 1 2 390.550 -0.037 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000511145853 1072364231 /nfs/dbraw/zinc/36/42/31/1072364231.db2.gz WQUAKSLRZQQJCH-OAHLLOKOSA-N 1 2 390.550 -0.037 20 0 GBADLO NS(=O)(=O)CCN1CC[NH+](CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000511154296 1072366162 /nfs/dbraw/zinc/36/61/62/1072366162.db2.gz ITTMQLXLDVEUDX-UHFFFAOYSA-N 1 2 382.486 -0.718 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000511274225 1072589845 /nfs/dbraw/zinc/58/98/45/1072589845.db2.gz QNEHEAZFIZCIIC-HUUCEWRRSA-N 1 2 379.461 -0.036 20 0 GBADLO CC[C@@H](C(=O)OC)N1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000511315140 530457672 /nfs/dbraw/zinc/45/76/72/530457672.db2.gz NAOOJMLUNFKOJC-HNNXBMFYSA-N 1 2 377.507 -0.392 20 0 GBADLO CC[C@H](C(=O)OC)N1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000511315141 530457652 /nfs/dbraw/zinc/45/76/52/530457652.db2.gz NAOOJMLUNFKOJC-OAHLLOKOSA-N 1 2 377.507 -0.392 20 0 GBADLO CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000511358484 530457632 /nfs/dbraw/zinc/45/76/32/530457632.db2.gz FQIZWHYHXJAALP-AWEZNQCLSA-N 1 2 383.536 -0.558 20 0 GBADLO CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000511358487 530457561 /nfs/dbraw/zinc/45/75/61/530457561.db2.gz FQIZWHYHXJAALP-CQSZACIVSA-N 1 2 383.536 -0.558 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000511403851 1072892627 /nfs/dbraw/zinc/89/26/27/1072892627.db2.gz IHWMXRXAFOMDBD-KBPBESRZSA-N 1 2 398.426 -0.416 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000511403852 1072892976 /nfs/dbraw/zinc/89/29/76/1072892976.db2.gz IHWMXRXAFOMDBD-KGLIPLIRSA-N 1 2 398.426 -0.416 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000511403853 1072892879 /nfs/dbraw/zinc/89/28/79/1072892879.db2.gz IHWMXRXAFOMDBD-UONOGXRCSA-N 1 2 398.426 -0.416 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000511403854 1072892603 /nfs/dbraw/zinc/89/26/03/1072892603.db2.gz IHWMXRXAFOMDBD-ZIAGYGMSSA-N 1 2 398.426 -0.416 20 0 GBADLO CCC[C@@H]1CN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC[N@H+]1CCOC ZINC000511423892 530457855 /nfs/dbraw/zinc/45/78/55/530457855.db2.gz AMWPXLWXXKNDIH-CABCVRRESA-N 1 2 377.507 -0.058 20 0 GBADLO CCC[C@@H]1CN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC[N@@H+]1CCOC ZINC000511423892 530457853 /nfs/dbraw/zinc/45/78/53/530457853.db2.gz AMWPXLWXXKNDIH-CABCVRRESA-N 1 2 377.507 -0.058 20 0 GBADLO CCC[C@H]1CN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC[N@H+]1CCOC ZINC000511423893 530457922 /nfs/dbraw/zinc/45/79/22/530457922.db2.gz AMWPXLWXXKNDIH-GJZGRUSLSA-N 1 2 377.507 -0.058 20 0 GBADLO CCC[C@H]1CN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC[N@@H+]1CCOC ZINC000511423893 530457919 /nfs/dbraw/zinc/45/79/19/530457919.db2.gz AMWPXLWXXKNDIH-GJZGRUSLSA-N 1 2 377.507 -0.058 20 0 GBADLO CCC[C@@H]1CN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC[N@H+]1CCOC ZINC000511423894 530458108 /nfs/dbraw/zinc/45/81/08/530458108.db2.gz AMWPXLWXXKNDIH-HUUCEWRRSA-N 1 2 377.507 -0.058 20 0 GBADLO CCC[C@@H]1CN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC[N@@H+]1CCOC ZINC000511423894 530458106 /nfs/dbraw/zinc/45/81/06/530458106.db2.gz AMWPXLWXXKNDIH-HUUCEWRRSA-N 1 2 377.507 -0.058 20 0 GBADLO CCC[C@H]1CN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC[N@H+]1CCOC ZINC000511423895 530458078 /nfs/dbraw/zinc/45/80/78/530458078.db2.gz AMWPXLWXXKNDIH-LSDHHAIUSA-N 1 2 377.507 -0.058 20 0 GBADLO CCC[C@H]1CN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC[N@@H+]1CCOC ZINC000511423895 530458076 /nfs/dbraw/zinc/45/80/76/530458076.db2.gz AMWPXLWXXKNDIH-LSDHHAIUSA-N 1 2 377.507 -0.058 20 0 GBADLO CCOCC[N@H+]1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)C[C@H]1CC ZINC000511426925 530458159 /nfs/dbraw/zinc/45/81/59/530458159.db2.gz DPNKKRHPZLULKB-CABCVRRESA-N 1 2 377.507 -0.058 20 0 GBADLO CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)C[C@H]1CC ZINC000511426925 530458158 /nfs/dbraw/zinc/45/81/58/530458158.db2.gz DPNKKRHPZLULKB-CABCVRRESA-N 1 2 377.507 -0.058 20 0 GBADLO CCOCC[N@H+]1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)C[C@@H]1CC ZINC000511426926 530458124 /nfs/dbraw/zinc/45/81/24/530458124.db2.gz DPNKKRHPZLULKB-GJZGRUSLSA-N 1 2 377.507 -0.058 20 0 GBADLO CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)C[C@@H]1CC ZINC000511426926 530458121 /nfs/dbraw/zinc/45/81/21/530458121.db2.gz DPNKKRHPZLULKB-GJZGRUSLSA-N 1 2 377.507 -0.058 20 0 GBADLO CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)C[C@H]1CC ZINC000511426927 530458007 /nfs/dbraw/zinc/45/80/07/530458007.db2.gz DPNKKRHPZLULKB-HUUCEWRRSA-N 1 2 377.507 -0.058 20 0 GBADLO CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)C[C@H]1CC ZINC000511426927 530458006 /nfs/dbraw/zinc/45/80/06/530458006.db2.gz DPNKKRHPZLULKB-HUUCEWRRSA-N 1 2 377.507 -0.058 20 0 GBADLO CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)C[C@@H]1CC ZINC000511426929 530458097 /nfs/dbraw/zinc/45/80/97/530458097.db2.gz DPNKKRHPZLULKB-LSDHHAIUSA-N 1 2 377.507 -0.058 20 0 GBADLO CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)C[C@@H]1CC ZINC000511426929 530458096 /nfs/dbraw/zinc/45/80/96/530458096.db2.gz DPNKKRHPZLULKB-LSDHHAIUSA-N 1 2 377.507 -0.058 20 0 GBADLO C[C@H](C(=O)N1CCN(CC(=O)Nc2nncs2)CC1)[NH+]1CCN(C)CC1 ZINC000511433699 1072910426 /nfs/dbraw/zinc/91/04/26/1072910426.db2.gz XDFGEJCQGRATNM-CYBMUJFWSA-N 1 2 381.506 -0.743 20 0 GBADLO C[C@@H](C(=O)N1CCN(CC(=O)Nc2nncs2)CC1)[NH+]1CCN(C)CC1 ZINC000511433700 1072910397 /nfs/dbraw/zinc/91/03/97/1072910397.db2.gz XDFGEJCQGRATNM-ZDUSSCGKSA-N 1 2 381.506 -0.743 20 0 GBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)[nH+]cn1 ZINC000511456568 1072925163 /nfs/dbraw/zinc/92/51/63/1072925163.db2.gz BBJMZBGVSWDPHW-CHWSQXEVSA-N 1 2 398.489 -0.400 20 0 GBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)nc[nH+]1 ZINC000511456568 1072925159 /nfs/dbraw/zinc/92/51/59/1072925159.db2.gz BBJMZBGVSWDPHW-CHWSQXEVSA-N 1 2 398.489 -0.400 20 0 GBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)[nH+]cn1 ZINC000511456574 1072924829 /nfs/dbraw/zinc/92/48/29/1072924829.db2.gz BBJMZBGVSWDPHW-OLZOCXBDSA-N 1 2 398.489 -0.400 20 0 GBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)nc[nH+]1 ZINC000511456574 1072924822 /nfs/dbraw/zinc/92/48/22/1072924822.db2.gz BBJMZBGVSWDPHW-OLZOCXBDSA-N 1 2 398.489 -0.400 20 0 GBADLO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)[nH+]cn1 ZINC000511456576 1072925265 /nfs/dbraw/zinc/92/52/65/1072925265.db2.gz BBJMZBGVSWDPHW-QWHCGFSZSA-N 1 2 398.489 -0.400 20 0 GBADLO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)nc[nH+]1 ZINC000511456576 1072925261 /nfs/dbraw/zinc/92/52/61/1072925261.db2.gz BBJMZBGVSWDPHW-QWHCGFSZSA-N 1 2 398.489 -0.400 20 0 GBADLO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)[nH+]cn1 ZINC000511456577 1072925894 /nfs/dbraw/zinc/92/58/94/1072925894.db2.gz BBJMZBGVSWDPHW-STQMWFEESA-N 1 2 398.489 -0.400 20 0 GBADLO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)nc[nH+]1 ZINC000511456577 1072925891 /nfs/dbraw/zinc/92/58/91/1072925891.db2.gz BBJMZBGVSWDPHW-STQMWFEESA-N 1 2 398.489 -0.400 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)[NH+]1CCOCC1 ZINC000511467898 1072930355 /nfs/dbraw/zinc/93/03/55/1072930355.db2.gz ALUDUGIVBVZWNN-AWEZNQCLSA-N 1 2 380.449 -0.830 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)[NH+]1CCOCC1 ZINC000511467899 1072930297 /nfs/dbraw/zinc/93/02/97/1072930297.db2.gz ALUDUGIVBVZWNN-CQSZACIVSA-N 1 2 380.449 -0.830 20 0 GBADLO CC[C@@H](C(=O)OC)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000511604364 1073297482 /nfs/dbraw/zinc/29/74/82/1073297482.db2.gz LJVYRVBHLUOMKS-INIZCTEOSA-N 1 2 384.521 -0.217 20 0 GBADLO CC[C@H](C(=O)OC)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000511604367 1073297586 /nfs/dbraw/zinc/29/75/86/1073297586.db2.gz LJVYRVBHLUOMKS-MRXNPFEDSA-N 1 2 384.521 -0.217 20 0 GBADLO Cc1ocnc1CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000511686956 1073352537 /nfs/dbraw/zinc/35/25/37/1073352537.db2.gz ZAZWQXWNXUVIOL-UHFFFAOYSA-N 1 2 384.400 -0.375 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC2(C1)CCCOC2 ZINC000511708800 1073353320 /nfs/dbraw/zinc/35/33/20/1073353320.db2.gz VQWSVZXLUHVLTG-UHFFFAOYSA-N 1 2 377.445 -0.207 20 0 GBADLO COc1ncc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C(N)=O ZINC000511944803 1073515659 /nfs/dbraw/zinc/51/56/59/1073515659.db2.gz RSDZYWHETDZGTO-LLVKDONJSA-N 1 2 384.396 -0.082 20 0 GBADLO COc1ncc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C(N)=O ZINC000511944804 1073515599 /nfs/dbraw/zinc/51/55/99/1073515599.db2.gz RSDZYWHETDZGTO-NSHDSACASA-N 1 2 384.396 -0.082 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CCCOCC2)CC1 ZINC000512033381 1073617406 /nfs/dbraw/zinc/61/74/06/1073617406.db2.gz MNWKESGOGDZZJF-CYBMUJFWSA-N 1 2 387.444 -0.303 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CCCOCC2)CC1 ZINC000512033383 1073616800 /nfs/dbraw/zinc/61/68/00/1073616800.db2.gz MNWKESGOGDZZJF-ZDUSSCGKSA-N 1 2 387.444 -0.303 20 0 GBADLO Cn1ncc2c1ncc(C(=O)Nc1cnn(CC(=O)N3CC[NH+](C)CC3)c1)c2O ZINC000512046777 1073622129 /nfs/dbraw/zinc/62/21/29/1073622129.db2.gz ONFQWCWBDFPCSC-UHFFFAOYSA-N 1 2 398.427 -0.103 20 0 GBADLO COCCN1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000512138733 1073646405 /nfs/dbraw/zinc/64/64/05/1073646405.db2.gz IVUUBPIDMBRWGW-UHFFFAOYSA-N 1 2 377.449 -0.944 20 0 GBADLO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000512146253 1073648535 /nfs/dbraw/zinc/64/85/35/1073648535.db2.gz HCWNMPCSAIWPIN-HNNXBMFYSA-N 1 2 382.486 -0.477 20 0 GBADLO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000512146254 1073648760 /nfs/dbraw/zinc/64/87/60/1073648760.db2.gz HCWNMPCSAIWPIN-OAHLLOKOSA-N 1 2 382.486 -0.477 20 0 GBADLO Cn1ncc2c1ncc(C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c2O ZINC000512165213 1073651793 /nfs/dbraw/zinc/65/17/93/1073651793.db2.gz OJYLOLJARBXYNJ-LLVKDONJSA-N 1 2 381.458 -0.135 20 0 GBADLO Cn1ncc2c1ncc(C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c2O ZINC000512165214 1073651770 /nfs/dbraw/zinc/65/17/70/1073651770.db2.gz OJYLOLJARBXYNJ-NSHDSACASA-N 1 2 381.458 -0.135 20 0 GBADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000512251225 1073682875 /nfs/dbraw/zinc/68/28/75/1073682875.db2.gz XERMUOMWXPKFMO-HNNXBMFYSA-N 1 2 388.534 -0.155 20 0 GBADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000512251225 1073682872 /nfs/dbraw/zinc/68/28/72/1073682872.db2.gz XERMUOMWXPKFMO-HNNXBMFYSA-N 1 2 388.534 -0.155 20 0 GBADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000512251228 1073683103 /nfs/dbraw/zinc/68/31/03/1073683103.db2.gz XERMUOMWXPKFMO-OAHLLOKOSA-N 1 2 388.534 -0.155 20 0 GBADLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000512251228 1073683101 /nfs/dbraw/zinc/68/31/01/1073683101.db2.gz XERMUOMWXPKFMO-OAHLLOKOSA-N 1 2 388.534 -0.155 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000512262567 1073684293 /nfs/dbraw/zinc/68/42/93/1073684293.db2.gz FRPQXAMPKNMVAF-CYBMUJFWSA-N 1 2 384.458 -0.683 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000512262567 1073684287 /nfs/dbraw/zinc/68/42/87/1073684287.db2.gz FRPQXAMPKNMVAF-CYBMUJFWSA-N 1 2 384.458 -0.683 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000512262575 1073683794 /nfs/dbraw/zinc/68/37/94/1073683794.db2.gz FRPQXAMPKNMVAF-ZDUSSCGKSA-N 1 2 384.458 -0.683 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000512262575 1073683788 /nfs/dbraw/zinc/68/37/88/1073683788.db2.gz FRPQXAMPKNMVAF-ZDUSSCGKSA-N 1 2 384.458 -0.683 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000512264570 1073690598 /nfs/dbraw/zinc/69/05/98/1073690598.db2.gz MRYFFFDWOIRXGR-GFCCVEGCSA-N 1 2 385.442 -0.337 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000512264570 1073690595 /nfs/dbraw/zinc/69/05/95/1073690595.db2.gz MRYFFFDWOIRXGR-GFCCVEGCSA-N 1 2 385.442 -0.337 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000512264571 1073690701 /nfs/dbraw/zinc/69/07/01/1073690701.db2.gz MRYFFFDWOIRXGR-LBPRGKRZSA-N 1 2 385.442 -0.337 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000512264571 1073690698 /nfs/dbraw/zinc/69/06/98/1073690698.db2.gz MRYFFFDWOIRXGR-LBPRGKRZSA-N 1 2 385.442 -0.337 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000512268050 1073690966 /nfs/dbraw/zinc/69/09/66/1073690966.db2.gz ZQDXJUHYRQCTJN-INIZCTEOSA-N 1 2 394.497 -0.052 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000512268050 1073690961 /nfs/dbraw/zinc/69/09/61/1073690961.db2.gz ZQDXJUHYRQCTJN-INIZCTEOSA-N 1 2 394.497 -0.052 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000512268053 1073691022 /nfs/dbraw/zinc/69/10/22/1073691022.db2.gz ZQDXJUHYRQCTJN-MRXNPFEDSA-N 1 2 394.497 -0.052 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000512268053 1073691016 /nfs/dbraw/zinc/69/10/16/1073691016.db2.gz ZQDXJUHYRQCTJN-MRXNPFEDSA-N 1 2 394.497 -0.052 20 0 GBADLO CNC(=O)COc1cccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000512304121 1073694295 /nfs/dbraw/zinc/69/42/95/1073694295.db2.gz YIMISDDXXHMASF-INIZCTEOSA-N 1 2 394.472 -0.354 20 0 GBADLO CNC(=O)COc1cccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000512304122 1073694597 /nfs/dbraw/zinc/69/45/97/1073694597.db2.gz YIMISDDXXHMASF-MRXNPFEDSA-N 1 2 394.472 -0.354 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c(=O)[nH]c1=O ZINC000512425649 1073735931 /nfs/dbraw/zinc/73/59/31/1073735931.db2.gz CFLFWCBTGVSGMV-CHWSQXEVSA-N 1 2 379.461 -0.081 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c(=O)[nH]c1=O ZINC000512425649 1073735924 /nfs/dbraw/zinc/73/59/24/1073735924.db2.gz CFLFWCBTGVSGMV-CHWSQXEVSA-N 1 2 379.461 -0.081 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(=O)[nH]c1=O ZINC000512425652 1073736001 /nfs/dbraw/zinc/73/60/01/1073736001.db2.gz CFLFWCBTGVSGMV-OLZOCXBDSA-N 1 2 379.461 -0.081 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(=O)[nH]c1=O ZINC000512425652 1073735996 /nfs/dbraw/zinc/73/59/96/1073735996.db2.gz CFLFWCBTGVSGMV-OLZOCXBDSA-N 1 2 379.461 -0.081 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(=O)[nH]c1=O ZINC000512425653 1073735660 /nfs/dbraw/zinc/73/56/60/1073735660.db2.gz CFLFWCBTGVSGMV-QWHCGFSZSA-N 1 2 379.461 -0.081 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(=O)[nH]c1=O ZINC000512425653 1073735654 /nfs/dbraw/zinc/73/56/54/1073735654.db2.gz CFLFWCBTGVSGMV-QWHCGFSZSA-N 1 2 379.461 -0.081 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(=O)[nH]c1=O ZINC000512425655 1073735840 /nfs/dbraw/zinc/73/58/40/1073735840.db2.gz CFLFWCBTGVSGMV-STQMWFEESA-N 1 2 379.461 -0.081 20 0 GBADLO CCCn1c(N)c(C(=O)C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(=O)[nH]c1=O ZINC000512425655 1073735835 /nfs/dbraw/zinc/73/58/35/1073735835.db2.gz CFLFWCBTGVSGMV-STQMWFEESA-N 1 2 379.461 -0.081 20 0 GBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c[nH]1 ZINC000512661010 1073866075 /nfs/dbraw/zinc/86/60/75/1073866075.db2.gz MTQKYDCBSIUHLP-LLVKDONJSA-N 1 2 392.441 -0.818 20 0 GBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c[nH]1 ZINC000512661017 1073865839 /nfs/dbraw/zinc/86/58/39/1073865839.db2.gz MTQKYDCBSIUHLP-NSHDSACASA-N 1 2 392.441 -0.818 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000512692279 1073869593 /nfs/dbraw/zinc/86/95/93/1073869593.db2.gz APUKMLLGNDDISG-KRWDZBQOSA-N 1 2 375.473 -0.382 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000512692279 1073869583 /nfs/dbraw/zinc/86/95/83/1073869583.db2.gz APUKMLLGNDDISG-KRWDZBQOSA-N 1 2 375.473 -0.382 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000512692281 1073869403 /nfs/dbraw/zinc/86/94/03/1073869403.db2.gz APUKMLLGNDDISG-QGZVFWFLSA-N 1 2 375.473 -0.382 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000512692281 1073869394 /nfs/dbraw/zinc/86/93/94/1073869394.db2.gz APUKMLLGNDDISG-QGZVFWFLSA-N 1 2 375.473 -0.382 20 0 GBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)o1 ZINC000512698383 1073868792 /nfs/dbraw/zinc/86/87/92/1073868792.db2.gz ACPOQARPHDBDKV-LLVKDONJSA-N 1 2 393.425 -0.553 20 0 GBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)o1 ZINC000512698384 1073869293 /nfs/dbraw/zinc/86/92/93/1073869293.db2.gz ACPOQARPHDBDKV-NSHDSACASA-N 1 2 393.425 -0.553 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnnn1Cc1ccccc1 ZINC000512739392 1073875198 /nfs/dbraw/zinc/87/51/98/1073875198.db2.gz JDDAKAWNZHMQRI-KRWDZBQOSA-N 1 2 398.467 -0.011 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnnn1Cc1ccccc1 ZINC000512739395 1073875947 /nfs/dbraw/zinc/87/59/47/1073875947.db2.gz JDDAKAWNZHMQRI-QGZVFWFLSA-N 1 2 398.467 -0.011 20 0 GBADLO O=C(CCNC(=O)C(=O)NCCn1cccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000512759211 1073877210 /nfs/dbraw/zinc/87/72/10/1073877210.db2.gz ATDJDOUAQRTBQF-UHFFFAOYSA-N 1 2 398.467 -0.146 20 0 GBADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2)[nH]1 ZINC000512778675 1073883320 /nfs/dbraw/zinc/88/33/20/1073883320.db2.gz OOWYZURWNNQPRF-UHFFFAOYSA-N 1 2 388.424 -0.369 20 0 GBADLO CC(C)(CNC(=O)CN1CCN(CC(F)(F)F)C(=O)C1)[NH+]1CCOCC1 ZINC000512791853 1073886416 /nfs/dbraw/zinc/88/64/16/1073886416.db2.gz GKUGAAXYZOXKNA-UHFFFAOYSA-N 1 2 380.411 -0.080 20 0 GBADLO Cc1n[nH]c(=O)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000512799769 1073887910 /nfs/dbraw/zinc/88/79/10/1073887910.db2.gz NRSRKOASJKXWCS-UHFFFAOYSA-N 1 2 398.489 -0.951 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)c(=O)[nH]c1=O ZINC000512842843 1073895334 /nfs/dbraw/zinc/89/53/34/1073895334.db2.gz DGYHOQOKSYIQOC-SECBINFHSA-N 1 2 376.360 -0.079 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c(=O)[nH]c1=O ZINC000512842843 1073895323 /nfs/dbraw/zinc/89/53/23/1073895323.db2.gz DGYHOQOKSYIQOC-SECBINFHSA-N 1 2 376.360 -0.079 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CC[C@H](COC(F)F)C2)c(=O)[nH]c1=O ZINC000512842844 1073895264 /nfs/dbraw/zinc/89/52/64/1073895264.db2.gz DGYHOQOKSYIQOC-VIFPVBQESA-N 1 2 376.360 -0.079 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)c(=O)[nH]c1=O ZINC000512842844 1073895253 /nfs/dbraw/zinc/89/52/53/1073895253.db2.gz DGYHOQOKSYIQOC-VIFPVBQESA-N 1 2 376.360 -0.079 20 0 GBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000512925567 1073903145 /nfs/dbraw/zinc/90/31/45/1073903145.db2.gz JSZUPJWYFCIJRY-CYBMUJFWSA-N 1 2 393.469 -0.179 20 0 GBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000512925567 1073903139 /nfs/dbraw/zinc/90/31/39/1073903139.db2.gz JSZUPJWYFCIJRY-CYBMUJFWSA-N 1 2 393.469 -0.179 20 0 GBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000512925568 1073903046 /nfs/dbraw/zinc/90/30/46/1073903046.db2.gz JSZUPJWYFCIJRY-ZDUSSCGKSA-N 1 2 393.469 -0.179 20 0 GBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000512925568 1073903032 /nfs/dbraw/zinc/90/30/32/1073903032.db2.gz JSZUPJWYFCIJRY-ZDUSSCGKSA-N 1 2 393.469 -0.179 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)NCCc2cccc(C(=O)N(C)C)c2)CC1 ZINC000512968422 1073907482 /nfs/dbraw/zinc/90/74/82/1073907482.db2.gz CCJGDABWHBWBKR-UHFFFAOYSA-N 1 2 390.484 -0.162 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@@H+](C)CCC(N)=O ZINC000513195825 530459447 /nfs/dbraw/zinc/45/94/47/530459447.db2.gz IBDZTYALBHAKGU-UHFFFAOYSA-N 1 2 377.488 -0.482 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@H+](C)CCC(N)=O ZINC000513195825 530459446 /nfs/dbraw/zinc/45/94/46/530459446.db2.gz IBDZTYALBHAKGU-UHFFFAOYSA-N 1 2 377.488 -0.482 20 0 GBADLO CNC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000513209100 1073953802 /nfs/dbraw/zinc/95/38/02/1073953802.db2.gz FSXNXFHQFCHEKW-CHWSQXEVSA-N 1 2 388.490 -0.620 20 0 GBADLO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000513209100 1073953799 /nfs/dbraw/zinc/95/37/99/1073953799.db2.gz FSXNXFHQFCHEKW-CHWSQXEVSA-N 1 2 388.490 -0.620 20 0 GBADLO CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000513209101 1073953593 /nfs/dbraw/zinc/95/35/93/1073953593.db2.gz FSXNXFHQFCHEKW-OLZOCXBDSA-N 1 2 388.490 -0.620 20 0 GBADLO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000513209101 1073953589 /nfs/dbraw/zinc/95/35/89/1073953589.db2.gz FSXNXFHQFCHEKW-OLZOCXBDSA-N 1 2 388.490 -0.620 20 0 GBADLO CNC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000513209102 1073953758 /nfs/dbraw/zinc/95/37/58/1073953758.db2.gz FSXNXFHQFCHEKW-QWHCGFSZSA-N 1 2 388.490 -0.620 20 0 GBADLO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000513209102 1073953757 /nfs/dbraw/zinc/95/37/57/1073953757.db2.gz FSXNXFHQFCHEKW-QWHCGFSZSA-N 1 2 388.490 -0.620 20 0 GBADLO CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000513209103 1073953824 /nfs/dbraw/zinc/95/38/24/1073953824.db2.gz FSXNXFHQFCHEKW-STQMWFEESA-N 1 2 388.490 -0.620 20 0 GBADLO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000513209103 1073953820 /nfs/dbraw/zinc/95/38/20/1073953820.db2.gz FSXNXFHQFCHEKW-STQMWFEESA-N 1 2 388.490 -0.620 20 0 GBADLO CCC(CC)(NC(=O)C1C[NH+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1)C(N)=O ZINC000513235321 1073957162 /nfs/dbraw/zinc/95/71/62/1073957162.db2.gz ATEJJTWVZYDGDY-GFCCVEGCSA-N 1 2 383.493 -0.051 20 0 GBADLO CCC(CC)(NC(=O)C1C[NH+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1)C(N)=O ZINC000513235322 1073957591 /nfs/dbraw/zinc/95/75/91/1073957591.db2.gz ATEJJTWVZYDGDY-LBPRGKRZSA-N 1 2 383.493 -0.051 20 0 GBADLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)N2CCC[C@H](NC(C)=O)C2)C1)C(N)=O ZINC000513251403 1073958503 /nfs/dbraw/zinc/95/85/03/1073958503.db2.gz ABBIRXWRTNAYFX-HNNXBMFYSA-N 1 2 395.504 -0.794 20 0 GBADLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1)C(N)=O ZINC000513251404 1073958423 /nfs/dbraw/zinc/95/84/23/1073958423.db2.gz ABBIRXWRTNAYFX-OAHLLOKOSA-N 1 2 395.504 -0.794 20 0 GBADLO CCC(CC)(NC(=O)C1C[NH+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1)C(N)=O ZINC000513252966 1073958437 /nfs/dbraw/zinc/95/84/37/1073958437.db2.gz QXODILNZYQNZGI-GFCCVEGCSA-N 1 2 395.504 -0.796 20 0 GBADLO CCC(CC)(NC(=O)C1C[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1)C(N)=O ZINC000513252967 1073958365 /nfs/dbraw/zinc/95/83/65/1073958365.db2.gz QXODILNZYQNZGI-LBPRGKRZSA-N 1 2 395.504 -0.796 20 0 GBADLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)N2CCC(C(=O)OC)CC2)C1)C(N)=O ZINC000513273222 1073959261 /nfs/dbraw/zinc/95/92/61/1073959261.db2.gz VZYMGYCPJKZOQR-UHFFFAOYSA-N 1 2 396.488 -0.510 20 0 GBADLO CCC(CC)[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)[NH+]1CCOCC1 ZINC000513300574 530459581 /nfs/dbraw/zinc/45/95/81/530459581.db2.gz KXZLSMUDVHXAJH-INIZCTEOSA-N 1 2 375.535 -0.030 20 0 GBADLO CCC(CC)[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)[NH+]1CCOCC1 ZINC000513300575 530459501 /nfs/dbraw/zinc/45/95/01/530459501.db2.gz KXZLSMUDVHXAJH-MRXNPFEDSA-N 1 2 375.535 -0.030 20 0 GBADLO O=C(CC1CCCC1)NCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000513349153 1073963690 /nfs/dbraw/zinc/96/36/90/1073963690.db2.gz SRKLTXJJDRDWJH-KRWDZBQOSA-N 1 2 394.516 -0.020 20 0 GBADLO O=C(CC1CCCC1)NCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000513349154 1073963530 /nfs/dbraw/zinc/96/35/30/1073963530.db2.gz SRKLTXJJDRDWJH-QGZVFWFLSA-N 1 2 394.516 -0.020 20 0 GBADLO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C12CCC2 ZINC000513476462 1073973437 /nfs/dbraw/zinc/97/34/37/1073973437.db2.gz NYIJOMIRPCGOBP-ARFHVFGLSA-N 1 2 383.489 -0.398 20 0 GBADLO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C12CCC2 ZINC000513476463 1073973510 /nfs/dbraw/zinc/97/35/10/1073973510.db2.gz NYIJOMIRPCGOBP-BZUAXINKSA-N 1 2 383.489 -0.398 20 0 GBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C12CCC2 ZINC000513476464 1073973410 /nfs/dbraw/zinc/97/34/10/1073973410.db2.gz NYIJOMIRPCGOBP-HRCADAONSA-N 1 2 383.489 -0.398 20 0 GBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C12CCC2 ZINC000513476465 1073973456 /nfs/dbraw/zinc/97/34/56/1073973456.db2.gz NYIJOMIRPCGOBP-OWCLPIDISA-N 1 2 383.489 -0.398 20 0 GBADLO CN(C)c1nc2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]3CCOCC3)cc2o1 ZINC000513522786 1073976096 /nfs/dbraw/zinc/97/60/96/1073976096.db2.gz UFNWDUUTSDPZQL-CYBMUJFWSA-N 1 2 391.428 -0.358 20 0 GBADLO CN(C)c1nc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]3CCOCC3)cc2o1 ZINC000513522787 1073975795 /nfs/dbraw/zinc/97/57/95/1073975795.db2.gz UFNWDUUTSDPZQL-ZDUSSCGKSA-N 1 2 391.428 -0.358 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000513615703 1073980546 /nfs/dbraw/zinc/98/05/46/1073980546.db2.gz TYUADVSWPPQOKH-CAOSSQGBSA-N 1 2 383.489 -0.542 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000513615704 1073980729 /nfs/dbraw/zinc/98/07/29/1073980729.db2.gz TYUADVSWPPQOKH-JJXSEGSLSA-N 1 2 383.489 -0.542 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000513615705 1073980932 /nfs/dbraw/zinc/98/09/32/1073980932.db2.gz TYUADVSWPPQOKH-JONQDZQNSA-N 1 2 383.489 -0.542 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000513615706 1073980905 /nfs/dbraw/zinc/98/09/05/1073980905.db2.gz TYUADVSWPPQOKH-ZJIFWQFVSA-N 1 2 383.489 -0.542 20 0 GBADLO O=C([C@H]1CCCO1)N1CC[NH+](CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000513739514 1072312060 /nfs/dbraw/zinc/31/20/60/1072312060.db2.gz JFIOQDJAEJHRQH-HDICACEKSA-N 1 2 394.516 -0.367 20 0 GBADLO O=C([C@H]1CCCO1)N1CCN(CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000513739514 1072312055 /nfs/dbraw/zinc/31/20/55/1072312055.db2.gz JFIOQDJAEJHRQH-HDICACEKSA-N 1 2 394.516 -0.367 20 0 GBADLO O=C([C@H]1CCCO1)N1CCN(CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000513739515 1072311723 /nfs/dbraw/zinc/31/17/23/1072311723.db2.gz JFIOQDJAEJHRQH-QZTJIDSGSA-N 1 2 394.516 -0.367 20 0 GBADLO O=C([C@@H]1CCCO1)N1CCN(CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000513739516 1072312045 /nfs/dbraw/zinc/31/20/45/1072312045.db2.gz JFIOQDJAEJHRQH-ROUUACIJSA-N 1 2 394.516 -0.367 20 0 GBADLO COC(=O)c1coc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000513793841 1072473239 /nfs/dbraw/zinc/47/32/39/1072473239.db2.gz GGTCXAGYNYNSFB-UHFFFAOYSA-N 1 2 389.474 -0.265 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000513803272 530460196 /nfs/dbraw/zinc/46/01/96/530460196.db2.gz CSDPJNXPQFEQEA-UHFFFAOYSA-N 1 2 377.507 -0.392 20 0 GBADLO CC(C)[C@@H](C(=O)N(CCO)CC[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000513809091 530431881 /nfs/dbraw/zinc/43/18/81/530431881.db2.gz DRXZPBKZAWIQFP-HNNXBMFYSA-N 1 2 377.507 -0.800 20 0 GBADLO CC(C)[C@H](C(=O)N(CCO)CC[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000513809092 530431671 /nfs/dbraw/zinc/43/16/71/530431671.db2.gz DRXZPBKZAWIQFP-OAHLLOKOSA-N 1 2 377.507 -0.800 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000513833034 1072617090 /nfs/dbraw/zinc/61/70/90/1072617090.db2.gz UWIJQGGPCXTILU-UHFFFAOYSA-N 1 2 391.534 -0.004 20 0 GBADLO C[NH+](C)CCN(C(=O)CNC(=O)c1ncccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000513961762 1072622244 /nfs/dbraw/zinc/62/22/44/1072622244.db2.gz KDZGZTAKQAACFC-GFCCVEGCSA-N 1 2 384.458 -0.906 20 0 GBADLO C[NH+](C)CCN(C(=O)CNC(=O)c1ncccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000513961763 1072622272 /nfs/dbraw/zinc/62/22/72/1072622272.db2.gz KDZGZTAKQAACFC-LBPRGKRZSA-N 1 2 384.458 -0.906 20 0 GBADLO Cc1c(C(=O)N2CC[NH+](CCn3cncn3)CC2)cccc1S(N)(=O)=O ZINC000514009345 1072623151 /nfs/dbraw/zinc/62/31/51/1072623151.db2.gz DFYNWFMONUENRU-UHFFFAOYSA-N 1 2 378.458 -0.308 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000514118010 530299643 /nfs/dbraw/zinc/29/96/43/530299643.db2.gz DJWJBDWCSOFMMT-AWEZNQCLSA-N 1 2 383.536 -0.748 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000514118011 530299935 /nfs/dbraw/zinc/29/99/35/530299935.db2.gz DJWJBDWCSOFMMT-CQSZACIVSA-N 1 2 383.536 -0.748 20 0 GBADLO Cn1nncc1CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000514124382 1072629498 /nfs/dbraw/zinc/62/94/98/1072629498.db2.gz IAYDSJPKCQAVGT-UHFFFAOYSA-N 1 2 387.448 -0.527 20 0 GBADLO Cn1nncc1CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000514124382 1072629495 /nfs/dbraw/zinc/62/94/95/1072629495.db2.gz IAYDSJPKCQAVGT-UHFFFAOYSA-N 1 2 387.448 -0.527 20 0 GBADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000514145311 1072631092 /nfs/dbraw/zinc/63/10/92/1072631092.db2.gz VTQPBXPIAHUUCD-AWEZNQCLSA-N 1 2 392.485 -0.001 20 0 GBADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000514145312 1072631795 /nfs/dbraw/zinc/63/17/95/1072631795.db2.gz VTQPBXPIAHUUCD-CQSZACIVSA-N 1 2 392.485 -0.001 20 0 GBADLO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000514164696 1072633369 /nfs/dbraw/zinc/63/33/69/1072633369.db2.gz LQPBXSDYUAKPCM-MSOLQXFVSA-N 1 2 393.484 -0.488 20 0 GBADLO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000514164697 1072633705 /nfs/dbraw/zinc/63/37/05/1072633705.db2.gz LQPBXSDYUAKPCM-QZTJIDSGSA-N 1 2 393.484 -0.488 20 0 GBADLO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000514164698 1072633506 /nfs/dbraw/zinc/63/35/06/1072633506.db2.gz LQPBXSDYUAKPCM-ROUUACIJSA-N 1 2 393.484 -0.488 20 0 GBADLO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000514164699 1072633308 /nfs/dbraw/zinc/63/33/08/1072633308.db2.gz LQPBXSDYUAKPCM-ZWKOTPCHSA-N 1 2 393.484 -0.488 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000514405461 530139905 /nfs/dbraw/zinc/13/99/05/530139905.db2.gz GDZZMTLMESYNCJ-KBPBESRZSA-N 1 2 376.523 -0.079 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000514405462 530139844 /nfs/dbraw/zinc/13/98/44/530139844.db2.gz GDZZMTLMESYNCJ-OKILXGFUSA-N 1 2 376.523 -0.079 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000514405463 530139856 /nfs/dbraw/zinc/13/98/56/530139856.db2.gz GDZZMTLMESYNCJ-ZIAGYGMSSA-N 1 2 376.523 -0.079 20 0 GBADLO Cn1c2ncn(CCC(=O)NCCc3cn4c([nH+]3)CCCC4)c2c(=O)n(C)c1=O ZINC000514534247 1072658125 /nfs/dbraw/zinc/65/81/25/1072658125.db2.gz WODWQSTWODPLML-UHFFFAOYSA-N 1 2 399.455 -0.285 20 0 GBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nccn2S(=O)(=O)N(C)C)CC1 ZINC000514639519 1072666172 /nfs/dbraw/zinc/66/61/72/1072666172.db2.gz RBQXIJUGNUKQCE-CYBMUJFWSA-N 1 2 384.506 -0.678 20 0 GBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nccn2S(=O)(=O)N(C)C)CC1 ZINC000514639521 1072666253 /nfs/dbraw/zinc/66/62/53/1072666253.db2.gz RBQXIJUGNUKQCE-ZDUSSCGKSA-N 1 2 384.506 -0.678 20 0 GBADLO NC(=O)CN1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1=O ZINC000514657471 1072667075 /nfs/dbraw/zinc/66/70/75/1072667075.db2.gz XLYHURFPAMIYGF-INIZCTEOSA-N 1 2 389.456 -0.774 20 0 GBADLO NC(=O)CN1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1=O ZINC000514657471 1072667071 /nfs/dbraw/zinc/66/70/71/1072667071.db2.gz XLYHURFPAMIYGF-INIZCTEOSA-N 1 2 389.456 -0.774 20 0 GBADLO NC(=O)CN1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1=O ZINC000514657472 1072666864 /nfs/dbraw/zinc/66/68/64/1072666864.db2.gz XLYHURFPAMIYGF-MRXNPFEDSA-N 1 2 389.456 -0.774 20 0 GBADLO NC(=O)CN1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1=O ZINC000514657472 1072666861 /nfs/dbraw/zinc/66/68/61/1072666861.db2.gz XLYHURFPAMIYGF-MRXNPFEDSA-N 1 2 389.456 -0.774 20 0 GBADLO C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000514662446 1072666892 /nfs/dbraw/zinc/66/68/92/1072666892.db2.gz ABDOYOLTRFGJMT-ILXRZTDVSA-N 1 2 376.461 -0.059 20 0 GBADLO C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000514662447 1072666902 /nfs/dbraw/zinc/66/69/02/1072666902.db2.gz ABDOYOLTRFGJMT-KFWWJZLASA-N 1 2 376.461 -0.059 20 0 GBADLO C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000514662448 1072666835 /nfs/dbraw/zinc/66/68/35/1072666835.db2.gz ABDOYOLTRFGJMT-QLFBSQMISA-N 1 2 376.461 -0.059 20 0 GBADLO C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000514662449 1072666825 /nfs/dbraw/zinc/66/68/25/1072666825.db2.gz ABDOYOLTRFGJMT-RBSFLKMASA-N 1 2 376.461 -0.059 20 0 GBADLO COc1cc(CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)cc(OC)c1 ZINC000514671143 1072668954 /nfs/dbraw/zinc/66/89/54/1072668954.db2.gz UELZRAVNZHYIRU-UHFFFAOYSA-N 1 2 376.457 -0.220 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000514677954 530331998 /nfs/dbraw/zinc/33/19/98/530331998.db2.gz METIWENCHLFPMK-GFCCVEGCSA-N 1 2 396.535 -0.319 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000514677956 530331805 /nfs/dbraw/zinc/33/18/05/530331805.db2.gz METIWENCHLFPMK-LBPRGKRZSA-N 1 2 396.535 -0.319 20 0 GBADLO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CC[NH+](CC)CC2)cn1 ZINC000514691278 1072670516 /nfs/dbraw/zinc/67/05/16/1072670516.db2.gz XSRNYSXDSPUXEQ-ZBFHGGJFSA-N 1 2 376.461 -0.497 20 0 GBADLO O=C([C@@H]1CCCS1(=O)=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000514737808 1072673954 /nfs/dbraw/zinc/67/39/54/1072673954.db2.gz RIZBHESQMKVSDM-AWEZNQCLSA-N 1 2 395.485 -0.461 20 0 GBADLO O=C([C@@H]1CCCS1(=O)=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000514737808 1072673949 /nfs/dbraw/zinc/67/39/49/1072673949.db2.gz RIZBHESQMKVSDM-AWEZNQCLSA-N 1 2 395.485 -0.461 20 0 GBADLO O=C([C@H]1CCCS1(=O)=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000514737814 1072674149 /nfs/dbraw/zinc/67/41/49/1072674149.db2.gz RIZBHESQMKVSDM-CQSZACIVSA-N 1 2 395.485 -0.461 20 0 GBADLO O=C([C@H]1CCCS1(=O)=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000514737814 1072674144 /nfs/dbraw/zinc/67/41/44/1072674144.db2.gz RIZBHESQMKVSDM-CQSZACIVSA-N 1 2 395.485 -0.461 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000514749458 1072675652 /nfs/dbraw/zinc/67/56/52/1072675652.db2.gz QSTVNTUUKXMCNV-CABCVRRESA-N 1 2 392.522 -0.865 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000514749459 1072675712 /nfs/dbraw/zinc/67/57/12/1072675712.db2.gz QSTVNTUUKXMCNV-GJZGRUSLSA-N 1 2 392.522 -0.865 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000514749460 1072675574 /nfs/dbraw/zinc/67/55/74/1072675574.db2.gz QSTVNTUUKXMCNV-HUUCEWRRSA-N 1 2 392.522 -0.865 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000514749461 1072675615 /nfs/dbraw/zinc/67/56/15/1072675615.db2.gz QSTVNTUUKXMCNV-LSDHHAIUSA-N 1 2 392.522 -0.865 20 0 GBADLO O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000514761256 1072677559 /nfs/dbraw/zinc/67/75/59/1072677559.db2.gz OUTKOARDGCVVSP-UHFFFAOYSA-N 1 2 382.380 -0.084 20 0 GBADLO C[C@]1(CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CCC(=O)N1 ZINC000514798688 530439950 /nfs/dbraw/zinc/43/99/50/530439950.db2.gz LTANVUIGDYQAOS-GFCCVEGCSA-N 1 2 379.464 -0.870 20 0 GBADLO C[C@@]1(CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CCC(=O)N1 ZINC000514798689 530440187 /nfs/dbraw/zinc/44/01/87/530440187.db2.gz LTANVUIGDYQAOS-LBPRGKRZSA-N 1 2 379.464 -0.870 20 0 GBADLO O=C(CNS(=O)(=O)c1ccccc1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000514821622 1072683744 /nfs/dbraw/zinc/68/37/44/1072683744.db2.gz BWLUOLANHHOKRZ-INIZCTEOSA-N 1 2 397.497 -0.085 20 0 GBADLO O=C(CNS(=O)(=O)c1ccccc1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000514821624 1072683235 /nfs/dbraw/zinc/68/32/35/1072683235.db2.gz BWLUOLANHHOKRZ-MRXNPFEDSA-N 1 2 397.497 -0.085 20 0 GBADLO Nc1nc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nc(N2CCOCC2)n1 ZINC000514866001 1072690507 /nfs/dbraw/zinc/69/05/07/1072690507.db2.gz PSFZQGFMELGILC-AWEZNQCLSA-N 1 2 391.476 -0.383 20 0 GBADLO Nc1nc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nc(N2CCOCC2)n1 ZINC000514866003 1072690596 /nfs/dbraw/zinc/69/05/96/1072690596.db2.gz PSFZQGFMELGILC-CQSZACIVSA-N 1 2 391.476 -0.383 20 0 GBADLO CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000514932477 530372937 /nfs/dbraw/zinc/37/29/37/530372937.db2.gz XLXNVMSCUJDMCK-JTQLQIEISA-N 1 2 384.449 -0.819 20 0 GBADLO CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000514932482 530372754 /nfs/dbraw/zinc/37/27/54/530372754.db2.gz XLXNVMSCUJDMCK-SNVBAGLBSA-N 1 2 384.449 -0.819 20 0 GBADLO COc1ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000514961145 1072694660 /nfs/dbraw/zinc/69/46/60/1072694660.db2.gz XGCPEXNCOSKCQK-INIZCTEOSA-N 1 2 379.457 -0.229 20 0 GBADLO COc1ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000514961146 1072694965 /nfs/dbraw/zinc/69/49/65/1072694965.db2.gz XGCPEXNCOSKCQK-MRXNPFEDSA-N 1 2 379.457 -0.229 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CS(=O)(=O)C2CCCC2)CC1=O ZINC000515008302 1072698853 /nfs/dbraw/zinc/69/88/53/1072698853.db2.gz ZFECQTZJFXMBEE-AWEZNQCLSA-N 1 2 389.518 -0.361 20 0 GBADLO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CS(=O)(=O)C2CCCC2)CC1=O ZINC000515008302 1072698847 /nfs/dbraw/zinc/69/88/47/1072698847.db2.gz ZFECQTZJFXMBEE-AWEZNQCLSA-N 1 2 389.518 -0.361 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CS(=O)(=O)C2CCCC2)CC1=O ZINC000515008303 1072698716 /nfs/dbraw/zinc/69/87/16/1072698716.db2.gz ZFECQTZJFXMBEE-CQSZACIVSA-N 1 2 389.518 -0.361 20 0 GBADLO COCC[N@H+](C)CCN1C[C@H](NC(=O)CS(=O)(=O)C2CCCC2)CC1=O ZINC000515008303 1072698709 /nfs/dbraw/zinc/69/87/09/1072698709.db2.gz ZFECQTZJFXMBEE-CQSZACIVSA-N 1 2 389.518 -0.361 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000515057442 1072700620 /nfs/dbraw/zinc/70/06/20/1072700620.db2.gz ZMIWWMUZAIXIBE-UHFFFAOYSA-N 1 2 393.875 -0.463 20 0 GBADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)c1 ZINC000515068438 1072702576 /nfs/dbraw/zinc/70/25/76/1072702576.db2.gz JLCSWUYZFWVYQE-KRWDZBQOSA-N 1 2 398.485 -0.110 20 0 GBADLO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@]2(C(N)=O)CCOC2)c1 ZINC000515068445 1072702377 /nfs/dbraw/zinc/70/23/77/1072702377.db2.gz JLCSWUYZFWVYQE-QGZVFWFLSA-N 1 2 398.485 -0.110 20 0 GBADLO Cn1c2ncn(CC(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)c2c(=O)n(C)c1=O ZINC000515080041 1072702481 /nfs/dbraw/zinc/70/24/81/1072702481.db2.gz HXQOOUJWTNDWMU-UHFFFAOYSA-N 1 2 394.395 -0.288 20 0 GBADLO COC(=O)C(C)(C)N(C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000515080147 1072702694 /nfs/dbraw/zinc/70/26/94/1072702694.db2.gz NJPCWHNADCASQF-UHFFFAOYSA-N 1 2 389.460 -0.105 20 0 GBADLO O=C(C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1)NCCCN1CCCC1=O ZINC000515122039 1072704371 /nfs/dbraw/zinc/70/43/71/1072704371.db2.gz YGVBJKHGWWEXKT-UHFFFAOYSA-N 1 2 393.532 -0.255 20 0 GBADLO O=C(C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1)NCCCN1CCCC1=O ZINC000515122039 1072704358 /nfs/dbraw/zinc/70/43/58/1072704358.db2.gz YGVBJKHGWWEXKT-UHFFFAOYSA-N 1 2 393.532 -0.255 20 0 GBADLO COc1c(F)cc(CC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000515127137 1072704460 /nfs/dbraw/zinc/70/44/60/1072704460.db2.gz SOBKJZGYTKLCQV-LLVKDONJSA-N 1 2 389.449 -0.139 20 0 GBADLO COc1c(F)cc(CC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000515127138 1072704482 /nfs/dbraw/zinc/70/44/82/1072704482.db2.gz SOBKJZGYTKLCQV-NSHDSACASA-N 1 2 389.449 -0.139 20 0 GBADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCCS(=O)(=O)N1CCSCC1 ZINC000515186704 530373340 /nfs/dbraw/zinc/37/33/40/530373340.db2.gz MNLHILCFAPUWDH-OKILXGFUSA-N 1 2 392.547 -0.473 20 0 GBADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCCS(=O)(=O)N1CCSCC1 ZINC000515186704 530373339 /nfs/dbraw/zinc/37/33/39/530373339.db2.gz MNLHILCFAPUWDH-OKILXGFUSA-N 1 2 392.547 -0.473 20 0 GBADLO CCNC(=O)CN1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000515256039 1072718039 /nfs/dbraw/zinc/71/80/39/1072718039.db2.gz RNMJFAVTFQNYLC-INIZCTEOSA-N 1 2 392.504 -0.237 20 0 GBADLO CCNC(=O)CN1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000515256039 1072718036 /nfs/dbraw/zinc/71/80/36/1072718036.db2.gz RNMJFAVTFQNYLC-INIZCTEOSA-N 1 2 392.504 -0.237 20 0 GBADLO CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000515256040 1072718006 /nfs/dbraw/zinc/71/80/06/1072718006.db2.gz RNMJFAVTFQNYLC-MRXNPFEDSA-N 1 2 392.504 -0.237 20 0 GBADLO CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000515256040 1072718004 /nfs/dbraw/zinc/71/80/04/1072718004.db2.gz RNMJFAVTFQNYLC-MRXNPFEDSA-N 1 2 392.504 -0.237 20 0 GBADLO NC(=O)[C@]1([NH2+]CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)CCOC1 ZINC000515308301 1072717959 /nfs/dbraw/zinc/71/79/59/1072717959.db2.gz JGLYAHRUCRPZDT-PBHICJAKSA-N 1 2 387.502 -0.431 20 0 GBADLO NC(=O)[C@@]1([NH2+]CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)CCOC1 ZINC000515308302 1072718490 /nfs/dbraw/zinc/71/84/90/1072718490.db2.gz JGLYAHRUCRPZDT-RHSMWYFYSA-N 1 2 387.502 -0.431 20 0 GBADLO NC(=O)[C@@]1([NH2+]CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)CCOC1 ZINC000515308303 1072718297 /nfs/dbraw/zinc/71/82/97/1072718297.db2.gz JGLYAHRUCRPZDT-WMLDXEAASA-N 1 2 387.502 -0.431 20 0 GBADLO NC(=O)[C@]1([NH2+]CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)CCOC1 ZINC000515308304 1072718019 /nfs/dbraw/zinc/71/80/19/1072718019.db2.gz JGLYAHRUCRPZDT-YOEHRIQHSA-N 1 2 387.502 -0.431 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCOC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000515316494 1072719682 /nfs/dbraw/zinc/71/96/82/1072719682.db2.gz WZOCCXNVSBUQRK-INIZCTEOSA-N 1 2 383.489 -0.133 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCOC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000515316495 1072719670 /nfs/dbraw/zinc/71/96/70/1072719670.db2.gz WZOCCXNVSBUQRK-MRXNPFEDSA-N 1 2 383.489 -0.133 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)S(C)(=O)=O ZINC000515321501 530373097 /nfs/dbraw/zinc/37/30/97/530373097.db2.gz BBMLMPUHKZLTFC-CYBMUJFWSA-N 1 2 375.491 -0.894 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)S(C)(=O)=O ZINC000515321502 530373239 /nfs/dbraw/zinc/37/32/39/530373239.db2.gz BBMLMPUHKZLTFC-ZDUSSCGKSA-N 1 2 375.491 -0.894 20 0 GBADLO CSCC[C@@H](NC(N)=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000515357679 1072721213 /nfs/dbraw/zinc/72/12/13/1072721213.db2.gz KPNUOQMSFCJFMT-GFCCVEGCSA-N 1 2 392.489 -0.198 20 0 GBADLO CSCC[C@H](NC(N)=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000515357680 1072721367 /nfs/dbraw/zinc/72/13/67/1072721367.db2.gz KPNUOQMSFCJFMT-LBPRGKRZSA-N 1 2 392.489 -0.198 20 0 GBADLO Nc1nc(N)nc(SCC(=O)NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000515366028 1072721294 /nfs/dbraw/zinc/72/12/94/1072721294.db2.gz SPCQZYDJDDEUHX-UHFFFAOYSA-N 1 2 389.485 -0.063 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)[C@H](C)C(=O)N(C)C)CC1 ZINC000515389277 530373592 /nfs/dbraw/zinc/37/35/92/530373592.db2.gz SVEHEBDIKJKQFN-CYBMUJFWSA-N 1 2 376.523 -0.285 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)CC1 ZINC000515389278 530373551 /nfs/dbraw/zinc/37/35/51/530373551.db2.gz SVEHEBDIKJKQFN-ZDUSSCGKSA-N 1 2 376.523 -0.285 20 0 GBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515416587 1072723814 /nfs/dbraw/zinc/72/38/14/1072723814.db2.gz IAUUOFRTBPLCSU-IYOUNJFTSA-N 1 2 394.472 -0.419 20 0 GBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515416587 1072723805 /nfs/dbraw/zinc/72/38/05/1072723805.db2.gz IAUUOFRTBPLCSU-IYOUNJFTSA-N 1 2 394.472 -0.419 20 0 GBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515416588 1072724231 /nfs/dbraw/zinc/72/42/31/1072724231.db2.gz IAUUOFRTBPLCSU-QWQRMKEZSA-N 1 2 394.472 -0.419 20 0 GBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515416588 1072724223 /nfs/dbraw/zinc/72/42/23/1072724223.db2.gz IAUUOFRTBPLCSU-QWQRMKEZSA-N 1 2 394.472 -0.419 20 0 GBADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)CCN3CCCS3(=O)=O)cc2C1 ZINC000515456500 1072725971 /nfs/dbraw/zinc/72/59/71/1072725971.db2.gz MZUOFONCLWVTCD-UHFFFAOYSA-N 1 2 380.470 -0.106 20 0 GBADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)CCN3CCCS3(=O)=O)cc2C1 ZINC000515456500 1072725964 /nfs/dbraw/zinc/72/59/64/1072725964.db2.gz MZUOFONCLWVTCD-UHFFFAOYSA-N 1 2 380.470 -0.106 20 0 GBADLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000515508428 1072727370 /nfs/dbraw/zinc/72/73/70/1072727370.db2.gz AYZXZJCWXRKDOL-UHFFFAOYSA-N 1 2 383.537 -0.155 20 0 GBADLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000515508428 1072727364 /nfs/dbraw/zinc/72/73/64/1072727364.db2.gz AYZXZJCWXRKDOL-UHFFFAOYSA-N 1 2 383.537 -0.155 20 0 GBADLO Cc1ccc(OCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000515533103 1072729390 /nfs/dbraw/zinc/72/93/90/1072729390.db2.gz QZROJEOBQQLJLG-KRWDZBQOSA-N 1 2 393.484 -0.050 20 0 GBADLO Cc1ccc(OCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000515533104 1072729333 /nfs/dbraw/zinc/72/93/33/1072729333.db2.gz QZROJEOBQQLJLG-QGZVFWFLSA-N 1 2 393.484 -0.050 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCn2cc[nH+]c2)c1 ZINC000515595445 1072731827 /nfs/dbraw/zinc/73/18/27/1072731827.db2.gz IVTPUAUVEZRAJY-UHFFFAOYSA-N 1 2 379.442 -0.320 20 0 GBADLO O=C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CCN1C1CC1 ZINC000515671415 530442836 /nfs/dbraw/zinc/44/28/36/530442836.db2.gz IZJUTRIHHWGRHU-UHFFFAOYSA-N 1 2 391.475 -0.822 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000515789553 1072740107 /nfs/dbraw/zinc/74/01/07/1072740107.db2.gz WZZNERIHIHZSLX-UHFFFAOYSA-N 1 2 385.490 -0.451 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000515789553 1072740100 /nfs/dbraw/zinc/74/01/00/1072740100.db2.gz WZZNERIHIHZSLX-UHFFFAOYSA-N 1 2 385.490 -0.451 20 0 GBADLO Cc1nccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000515816586 1072741474 /nfs/dbraw/zinc/74/14/74/1072741474.db2.gz DHSZHEBXPXODMC-UHFFFAOYSA-N 1 2 397.505 -0.896 20 0 GBADLO CS(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000515823319 1072742598 /nfs/dbraw/zinc/74/25/98/1072742598.db2.gz HENFBCLGGZCFEJ-UHFFFAOYSA-N 1 2 396.517 -0.614 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000515839539 1072742624 /nfs/dbraw/zinc/74/26/24/1072742624.db2.gz XNVJEMOWOHVXQE-INIZCTEOSA-N 1 2 377.493 -0.382 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000515839540 1072742678 /nfs/dbraw/zinc/74/26/78/1072742678.db2.gz XNVJEMOWOHVXQE-MRXNPFEDSA-N 1 2 377.493 -0.382 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000515877617 1072744299 /nfs/dbraw/zinc/74/42/99/1072744299.db2.gz HRJSTESWFSEEMN-UHFFFAOYSA-N 1 2 394.497 -0.140 20 0 GBADLO O=C(NCc1nnc2n1CCC2)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000515878171 1072744409 /nfs/dbraw/zinc/74/44/09/1072744409.db2.gz PSOJDCCDZWPKSZ-INIZCTEOSA-N 1 2 398.467 -0.142 20 0 GBADLO O=C(NCc1nnc2n1CCC2)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000515878171 1072744403 /nfs/dbraw/zinc/74/44/03/1072744403.db2.gz PSOJDCCDZWPKSZ-INIZCTEOSA-N 1 2 398.467 -0.142 20 0 GBADLO O=C(NCc1nnc2n1CCC2)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000515878172 1072744343 /nfs/dbraw/zinc/74/43/43/1072744343.db2.gz PSOJDCCDZWPKSZ-MRXNPFEDSA-N 1 2 398.467 -0.142 20 0 GBADLO O=C(NCc1nnc2n1CCC2)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000515878172 1072744336 /nfs/dbraw/zinc/74/43/36/1072744336.db2.gz PSOJDCCDZWPKSZ-MRXNPFEDSA-N 1 2 398.467 -0.142 20 0 GBADLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000515878316 1072744389 /nfs/dbraw/zinc/74/43/89/1072744389.db2.gz VMMVZCOTXPKUST-CVEARBPZSA-N 1 2 382.505 -0.023 20 0 GBADLO CCC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000515878317 1072744621 /nfs/dbraw/zinc/74/46/21/1072744621.db2.gz VMMVZCOTXPKUST-HOTGVXAUSA-N 1 2 382.505 -0.023 20 0 GBADLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000515878318 1072744423 /nfs/dbraw/zinc/74/44/23/1072744423.db2.gz VMMVZCOTXPKUST-HZPDHXFCSA-N 1 2 382.505 -0.023 20 0 GBADLO CCC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000515878319 1072744437 /nfs/dbraw/zinc/74/44/37/1072744437.db2.gz VMMVZCOTXPKUST-JKSUJKDBSA-N 1 2 382.505 -0.023 20 0 GBADLO CC[C@H](NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(=O)N1CCOCC1 ZINC000515902089 1072746090 /nfs/dbraw/zinc/74/60/90/1072746090.db2.gz VHZUXBLOFQGXLT-AWEZNQCLSA-N 1 2 377.445 -0.131 20 0 GBADLO CC[C@H](NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(=O)N1CCOCC1 ZINC000515902089 1072746088 /nfs/dbraw/zinc/74/60/88/1072746088.db2.gz VHZUXBLOFQGXLT-AWEZNQCLSA-N 1 2 377.445 -0.131 20 0 GBADLO CC[C@@H](NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(=O)N1CCOCC1 ZINC000515902091 1072746451 /nfs/dbraw/zinc/74/64/51/1072746451.db2.gz VHZUXBLOFQGXLT-CQSZACIVSA-N 1 2 377.445 -0.131 20 0 GBADLO CC[C@@H](NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(=O)N1CCOCC1 ZINC000515902091 1072746445 /nfs/dbraw/zinc/74/64/45/1072746445.db2.gz VHZUXBLOFQGXLT-CQSZACIVSA-N 1 2 377.445 -0.131 20 0 GBADLO Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000515910929 1072746474 /nfs/dbraw/zinc/74/64/74/1072746474.db2.gz LZMMRRVINYYKQO-UHFFFAOYSA-N 1 2 396.517 -0.291 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000515929799 1072747162 /nfs/dbraw/zinc/74/71/62/1072747162.db2.gz JJVMBOQFZIYIPQ-UHFFFAOYSA-N 1 2 384.462 -0.508 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000515992603 1072750388 /nfs/dbraw/zinc/75/03/88/1072750388.db2.gz NWHQCFHCSDXZAZ-UHFFFAOYSA-N 1 2 397.461 -0.994 20 0 GBADLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]cn1 ZINC000516088830 530443538 /nfs/dbraw/zinc/44/35/38/530443538.db2.gz LTLGTGMQTUMEIS-AAEUAGOBSA-N 1 2 391.519 -0.056 20 0 GBADLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]cn1 ZINC000516088830 530443535 /nfs/dbraw/zinc/44/35/35/530443535.db2.gz LTLGTGMQTUMEIS-AAEUAGOBSA-N 1 2 391.519 -0.056 20 0 GBADLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]cn1 ZINC000516088833 530443447 /nfs/dbraw/zinc/44/34/47/530443447.db2.gz LTLGTGMQTUMEIS-DGCLKSJQSA-N 1 2 391.519 -0.056 20 0 GBADLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]cn1 ZINC000516088833 530443444 /nfs/dbraw/zinc/44/34/44/530443444.db2.gz LTLGTGMQTUMEIS-DGCLKSJQSA-N 1 2 391.519 -0.056 20 0 GBADLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]cn1 ZINC000516088964 530443313 /nfs/dbraw/zinc/44/33/13/530443313.db2.gz LTLGTGMQTUMEIS-WCQYABFASA-N 1 2 391.519 -0.056 20 0 GBADLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]cn1 ZINC000516088964 530443312 /nfs/dbraw/zinc/44/33/12/530443312.db2.gz LTLGTGMQTUMEIS-WCQYABFASA-N 1 2 391.519 -0.056 20 0 GBADLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]cn1 ZINC000516088965 530443386 /nfs/dbraw/zinc/44/33/86/530443386.db2.gz LTLGTGMQTUMEIS-YPMHNXCESA-N 1 2 391.519 -0.056 20 0 GBADLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]cn1 ZINC000516088965 530443384 /nfs/dbraw/zinc/44/33/84/530443384.db2.gz LTLGTGMQTUMEIS-YPMHNXCESA-N 1 2 391.519 -0.056 20 0 GBADLO O=C(CCN1CCCS1(=O)=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000516127270 1072756536 /nfs/dbraw/zinc/75/65/36/1072756536.db2.gz NCRLLODILFEQCN-UHFFFAOYSA-N 1 2 382.490 -0.860 20 0 GBADLO Cc1nnc(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000516156819 530181882 /nfs/dbraw/zinc/18/18/82/530181882.db2.gz TZXRUXLJUXLNMR-UHFFFAOYSA-N 1 2 389.507 -0.512 20 0 GBADLO COc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N1CC([NH+](C)C)C1 ZINC000516194327 530374090 /nfs/dbraw/zinc/37/40/90/530374090.db2.gz DFQRCVJIBVHKOR-UHFFFAOYSA-N 1 2 392.503 -0.202 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCSC[C@H]1CCO)Nc1c[nH+]c[nH]1 ZINC000516194809 530374526 /nfs/dbraw/zinc/37/45/26/530374526.db2.gz WXGBRHNRNUAPOE-LLVKDONJSA-N 1 2 398.532 -0.329 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCSC[C@@H]1CCO)Nc1c[nH+]c[nH]1 ZINC000516194810 530374302 /nfs/dbraw/zinc/37/43/02/530374302.db2.gz WXGBRHNRNUAPOE-NSHDSACASA-N 1 2 398.532 -0.329 20 0 GBADLO CCN([C@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516314912 530443630 /nfs/dbraw/zinc/44/36/30/530443630.db2.gz FMBOGMKZQOMUPD-JTQLQIEISA-N 1 2 379.464 -0.918 20 0 GBADLO CCN([C@@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000516314917 530443560 /nfs/dbraw/zinc/44/35/60/530443560.db2.gz FMBOGMKZQOMUPD-SNVBAGLBSA-N 1 2 379.464 -0.918 20 0 GBADLO CN(C)C(=O)Cn1cc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000516332300 1072765631 /nfs/dbraw/zinc/76/56/31/1072765631.db2.gz ODVWLBWYMOQQBF-UHFFFAOYSA-N 1 2 385.472 -0.082 20 0 GBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000516445783 1072770330 /nfs/dbraw/zinc/77/03/30/1072770330.db2.gz SAHXNEIBXPVOEL-UHFFFAOYSA-N 1 2 398.423 -0.146 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000516458274 1072769914 /nfs/dbraw/zinc/76/99/14/1072769914.db2.gz UYGKAEYXWCILAA-BZUAXINKSA-N 1 2 376.461 -0.379 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000516458275 1072770192 /nfs/dbraw/zinc/77/01/92/1072770192.db2.gz UYGKAEYXWCILAA-OAGGEKHMSA-N 1 2 376.461 -0.379 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000516458276 1072769963 /nfs/dbraw/zinc/76/99/63/1072769963.db2.gz UYGKAEYXWCILAA-OWCLPIDISA-N 1 2 376.461 -0.379 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000516458277 1072770076 /nfs/dbraw/zinc/77/00/76/1072770076.db2.gz UYGKAEYXWCILAA-PMPSAXMXSA-N 1 2 376.461 -0.379 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)Nc3nncs3)CC2)CC1 ZINC000516480905 530181115 /nfs/dbraw/zinc/18/11/15/530181115.db2.gz RKLZCSOHKFSDHA-UHFFFAOYSA-N 1 2 375.480 -0.820 20 0 GBADLO O=C(NCCN1CCCC1=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000516487945 1072771781 /nfs/dbraw/zinc/77/17/81/1072771781.db2.gz FSXUOXYQJZZDNM-UHFFFAOYSA-N 1 2 388.468 -0.126 20 0 GBADLO COc1ccc2c(c1)CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C2 ZINC000516585512 1072781532 /nfs/dbraw/zinc/78/15/32/1072781532.db2.gz TYIYCLKHSPKCCD-KRWDZBQOSA-N 1 2 391.468 -0.269 20 0 GBADLO COc1ccc2c(c1)CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC000516585513 1072781964 /nfs/dbraw/zinc/78/19/64/1072781964.db2.gz TYIYCLKHSPKCCD-QGZVFWFLSA-N 1 2 391.468 -0.269 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000516585579 530446925 /nfs/dbraw/zinc/44/69/25/530446925.db2.gz WBZJOBHPBOSPCG-UHFFFAOYSA-N 1 2 391.515 -0.280 20 0 GBADLO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000516671977 1072791547 /nfs/dbraw/zinc/79/15/47/1072791547.db2.gz XERSCQFONFPSSU-AWEZNQCLSA-N 1 2 397.501 -0.236 20 0 GBADLO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000516671978 1072791204 /nfs/dbraw/zinc/79/12/04/1072791204.db2.gz XERSCQFONFPSSU-CQSZACIVSA-N 1 2 397.501 -0.236 20 0 GBADLO COC1CCC(C)(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000516686879 1072794200 /nfs/dbraw/zinc/79/42/00/1072794200.db2.gz LBTAXEWKEURHOI-LYGPFTKASA-N 1 2 385.505 -0.151 20 0 GBADLO COC1CCC(C)(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000516686883 1072793711 /nfs/dbraw/zinc/79/37/11/1072793711.db2.gz LBTAXEWKEURHOI-MDCZIUGASA-N 1 2 385.505 -0.151 20 0 GBADLO Cc1cc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000516717232 1072795885 /nfs/dbraw/zinc/79/58/85/1072795885.db2.gz IKIOOWBXYBBDND-UHFFFAOYSA-N 1 2 386.478 -0.698 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000516745109 1072799518 /nfs/dbraw/zinc/79/95/18/1072799518.db2.gz YXKAMBHKOUOFSZ-INIZCTEOSA-N 1 2 394.497 -0.324 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000516745110 1072799326 /nfs/dbraw/zinc/79/93/26/1072799326.db2.gz YXKAMBHKOUOFSZ-MRXNPFEDSA-N 1 2 394.497 -0.324 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000516811328 1072809073 /nfs/dbraw/zinc/80/90/73/1072809073.db2.gz ORPBHCSNWVJCSJ-BFHYXJOUSA-N 1 2 382.461 -0.887 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000516811328 1072809064 /nfs/dbraw/zinc/80/90/64/1072809064.db2.gz ORPBHCSNWVJCSJ-BFHYXJOUSA-N 1 2 382.461 -0.887 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000516811329 1072808774 /nfs/dbraw/zinc/80/87/74/1072808774.db2.gz ORPBHCSNWVJCSJ-MCIONIFRSA-N 1 2 382.461 -0.887 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000516811329 1072808765 /nfs/dbraw/zinc/80/87/65/1072808765.db2.gz ORPBHCSNWVJCSJ-MCIONIFRSA-N 1 2 382.461 -0.887 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000516811330 1072809025 /nfs/dbraw/zinc/80/90/25/1072809025.db2.gz ORPBHCSNWVJCSJ-MGPQQGTHSA-N 1 2 382.461 -0.887 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000516811330 1072809018 /nfs/dbraw/zinc/80/90/18/1072809018.db2.gz ORPBHCSNWVJCSJ-MGPQQGTHSA-N 1 2 382.461 -0.887 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000516811331 1072808632 /nfs/dbraw/zinc/80/86/32/1072808632.db2.gz ORPBHCSNWVJCSJ-MJBXVCDLSA-N 1 2 382.461 -0.887 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000516811331 1072808622 /nfs/dbraw/zinc/80/86/22/1072808622.db2.gz ORPBHCSNWVJCSJ-MJBXVCDLSA-N 1 2 382.461 -0.887 20 0 GBADLO CS(=O)(=O)c1nccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)n1 ZINC000516876632 1072815034 /nfs/dbraw/zinc/81/50/34/1072815034.db2.gz CHUQPWKXKQQOBH-UHFFFAOYSA-N 1 2 389.437 -0.024 20 0 GBADLO CS(=O)(=O)c1nccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)n1 ZINC000516876632 1072815029 /nfs/dbraw/zinc/81/50/29/1072815029.db2.gz CHUQPWKXKQQOBH-UHFFFAOYSA-N 1 2 389.437 -0.024 20 0 GBADLO Cc1ncc(S(N)(=O)=O)cc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000516877657 1072814909 /nfs/dbraw/zinc/81/49/09/1072814909.db2.gz ZTMUIZVXDLMSNJ-UHFFFAOYSA-N 1 2 398.485 -0.351 20 0 GBADLO O=C(NC1CC1)C(=O)N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000516904543 1072816186 /nfs/dbraw/zinc/81/61/86/1072816186.db2.gz XDFRSRIUAXYSSX-UHFFFAOYSA-N 1 2 376.486 -0.043 20 0 GBADLO O=C(NC1CC1)C(=O)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000516904543 1072816178 /nfs/dbraw/zinc/81/61/78/1072816178.db2.gz XDFRSRIUAXYSSX-UHFFFAOYSA-N 1 2 376.486 -0.043 20 0 GBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000516912953 1072817706 /nfs/dbraw/zinc/81/77/06/1072817706.db2.gz XTHJTHQTJSVFPP-CABCVRRESA-N 1 2 396.469 -0.399 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000516912954 1072817403 /nfs/dbraw/zinc/81/74/03/1072817403.db2.gz XTHJTHQTJSVFPP-HUUCEWRRSA-N 1 2 396.469 -0.399 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C[C@@H]1[NH+]1CCOCC1 ZINC000516956207 1072820981 /nfs/dbraw/zinc/82/09/81/1072820981.db2.gz JHFKRNCASBLMPT-FPCVCCKLSA-N 1 2 378.473 -0.565 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C[C@H]1[NH+]1CCOCC1 ZINC000516956208 1072820848 /nfs/dbraw/zinc/82/08/48/1072820848.db2.gz JHFKRNCASBLMPT-KLHDSHLOSA-N 1 2 378.473 -0.565 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C[C@H]1[NH+]1CCOCC1 ZINC000516956209 1072820757 /nfs/dbraw/zinc/82/07/57/1072820757.db2.gz JHFKRNCASBLMPT-LVQVYYBASA-N 1 2 378.473 -0.565 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C[C@@H]1[NH+]1CCOCC1 ZINC000516956210 1072820900 /nfs/dbraw/zinc/82/09/00/1072820900.db2.gz JHFKRNCASBLMPT-WCVJEAGWSA-N 1 2 378.473 -0.565 20 0 GBADLO O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)NCCn1cc[nH+]c1 ZINC000516958945 1072820548 /nfs/dbraw/zinc/82/05/48/1072820548.db2.gz XDCDELPEVZXPAW-UHFFFAOYSA-N 1 2 390.444 -0.240 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[C@H]1O ZINC000516967274 1072820501 /nfs/dbraw/zinc/82/05/01/1072820501.db2.gz RJQGJGFJAMZNGP-ZIAGYGMSSA-N 1 2 383.474 -0.644 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[S@@](=O)C1 ZINC000517041029 530461155 /nfs/dbraw/zinc/46/11/55/530461155.db2.gz CORREDJQNODKOM-KPWVOAKYSA-N 1 2 398.532 -0.428 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[S@@](=O)C1 ZINC000517041030 530460838 /nfs/dbraw/zinc/46/08/38/530460838.db2.gz CORREDJQNODKOM-RKFFSXRUSA-N 1 2 398.532 -0.428 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[S@](=O)C1 ZINC000517041031 530460896 /nfs/dbraw/zinc/46/08/96/530460896.db2.gz CORREDJQNODKOM-SAHAZLINSA-N 1 2 398.532 -0.428 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[S@](=O)C1 ZINC000517041032 530460968 /nfs/dbraw/zinc/46/09/68/530460968.db2.gz CORREDJQNODKOM-XFNZEKPQSA-N 1 2 398.532 -0.428 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000517060616 1072830113 /nfs/dbraw/zinc/83/01/13/1072830113.db2.gz LZLWVISPFSBJGH-UHFFFAOYSA-N 1 2 396.513 -0.056 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000517060616 1072830106 /nfs/dbraw/zinc/83/01/06/1072830106.db2.gz LZLWVISPFSBJGH-UHFFFAOYSA-N 1 2 396.513 -0.056 20 0 GBADLO CO[C@@H](C)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000517063558 530461069 /nfs/dbraw/zinc/46/10/69/530461069.db2.gz OBJZEEBNFICVDK-KGLIPLIRSA-N 1 2 377.511 -0.771 20 0 GBADLO CO[C@H](C)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000517063559 530460919 /nfs/dbraw/zinc/46/09/19/530460919.db2.gz OBJZEEBNFICVDK-ZIAGYGMSSA-N 1 2 377.511 -0.771 20 0 GBADLO CC(=O)N(C)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000517080220 1072831592 /nfs/dbraw/zinc/83/15/92/1072831592.db2.gz GGEAHEKFMAPNOW-MRXNPFEDSA-N 1 2 380.489 -0.364 20 0 GBADLO C[C@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000517136821 1072837133 /nfs/dbraw/zinc/83/71/33/1072837133.db2.gz RTORVBLLKMIIDO-KBPBESRZSA-N 1 2 381.477 -0.772 20 0 GBADLO C[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000517136822 1072837255 /nfs/dbraw/zinc/83/72/55/1072837255.db2.gz RTORVBLLKMIIDO-KGLIPLIRSA-N 1 2 381.477 -0.772 20 0 GBADLO C[C@H]([C@H](C)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000517136823 1072837154 /nfs/dbraw/zinc/83/71/54/1072837154.db2.gz RTORVBLLKMIIDO-UONOGXRCSA-N 1 2 381.477 -0.772 20 0 GBADLO C[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000517136824 1072837045 /nfs/dbraw/zinc/83/70/45/1072837045.db2.gz RTORVBLLKMIIDO-ZIAGYGMSSA-N 1 2 381.477 -0.772 20 0 GBADLO CS(=O)(=O)N1CCN(CC(=O)NCC2CC[NH+](CC(F)F)CC2)CC1 ZINC000517173374 530074344 /nfs/dbraw/zinc/07/43/44/530074344.db2.gz UFVZWYCMSRVYOW-UHFFFAOYSA-N 1 2 382.477 -0.343 20 0 GBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c1)[NH+]1CCOCC1 ZINC000517185466 1072844306 /nfs/dbraw/zinc/84/43/06/1072844306.db2.gz LBKMITUWSHTTSK-BBRMVZONSA-N 1 2 390.440 -0.269 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c1)[NH+]1CCOCC1 ZINC000517185467 1072844485 /nfs/dbraw/zinc/84/44/85/1072844485.db2.gz LBKMITUWSHTTSK-CJNGLKHVSA-N 1 2 390.440 -0.269 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c1)[NH+]1CCOCC1 ZINC000517185468 1072844329 /nfs/dbraw/zinc/84/43/29/1072844329.db2.gz LBKMITUWSHTTSK-CZUORRHYSA-N 1 2 390.440 -0.269 20 0 GBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c1)[NH+]1CCOCC1 ZINC000517185469 1072844606 /nfs/dbraw/zinc/84/46/06/1072844606.db2.gz LBKMITUWSHTTSK-XJKSGUPXSA-N 1 2 390.440 -0.269 20 0 GBADLO CCS(=O)(=O)N(C)C1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000517192484 530461004 /nfs/dbraw/zinc/46/10/04/530461004.db2.gz LFGYIWXAPBHPLK-UHFFFAOYSA-N 1 2 376.523 -0.285 20 0 GBADLO CCS(=O)(=O)N(C)C1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000517192484 530461002 /nfs/dbraw/zinc/46/10/02/530461002.db2.gz LFGYIWXAPBHPLK-UHFFFAOYSA-N 1 2 376.523 -0.285 20 0 GBADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000517206066 1072846945 /nfs/dbraw/zinc/84/69/45/1072846945.db2.gz ZRPLPYLPAQTEHO-UHFFFAOYSA-N 1 2 398.485 -0.286 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000517223039 1072848096 /nfs/dbraw/zinc/84/80/96/1072848096.db2.gz XCQJUDOMQCNWGH-CQSZACIVSA-N 1 2 391.538 -0.333 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000517240003 530461447 /nfs/dbraw/zinc/46/14/47/530461447.db2.gz XEQDJJPXISCXCB-JTQLQIEISA-N 1 2 396.922 -0.008 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000517240003 530461445 /nfs/dbraw/zinc/46/14/45/530461445.db2.gz XEQDJJPXISCXCB-JTQLQIEISA-N 1 2 396.922 -0.008 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000517240004 530461496 /nfs/dbraw/zinc/46/14/96/530461496.db2.gz XEQDJJPXISCXCB-SNVBAGLBSA-N 1 2 396.922 -0.008 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000517240004 530461495 /nfs/dbraw/zinc/46/14/95/530461495.db2.gz XEQDJJPXISCXCB-SNVBAGLBSA-N 1 2 396.922 -0.008 20 0 GBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000517261859 1072854960 /nfs/dbraw/zinc/85/49/60/1072854960.db2.gz JSNMCKUGKLQLKC-HNNXBMFYSA-N 1 2 390.488 -0.673 20 0 GBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000517261860 1072855475 /nfs/dbraw/zinc/85/54/75/1072855475.db2.gz JSNMCKUGKLQLKC-OAHLLOKOSA-N 1 2 390.488 -0.673 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ccc4nncn4n3)CC2)C[C@@H](C)O1 ZINC000517321851 1072859098 /nfs/dbraw/zinc/85/90/98/1072859098.db2.gz KWMICYPCLOHMFD-OAGGEKHMSA-N 1 2 375.477 -0.284 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(c3ccc4nncn4n3)CC2)C[C@H](C)O1 ZINC000517321855 1072859612 /nfs/dbraw/zinc/85/96/12/1072859612.db2.gz KWMICYPCLOHMFD-XHSDSOJGSA-N 1 2 375.477 -0.284 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000517331527 530461477 /nfs/dbraw/zinc/46/14/77/530461477.db2.gz KKAKEYOTEKACKE-LLVKDONJSA-N 1 2 375.520 -0.169 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000517331530 530461415 /nfs/dbraw/zinc/46/14/15/530461415.db2.gz KKAKEYOTEKACKE-NSHDSACASA-N 1 2 375.520 -0.169 20 0 GBADLO CN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000517333011 1072860740 /nfs/dbraw/zinc/86/07/40/1072860740.db2.gz YTDITLOYOVKMAP-HNNXBMFYSA-N 1 2 397.501 -0.036 20 0 GBADLO CN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000517333012 1072860208 /nfs/dbraw/zinc/86/02/08/1072860208.db2.gz YTDITLOYOVKMAP-OAHLLOKOSA-N 1 2 397.501 -0.036 20 0 GBADLO O=C(Cn1cccn1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517378546 1072861267 /nfs/dbraw/zinc/86/12/67/1072861267.db2.gz VWZQQAZPJITYLR-UHFFFAOYSA-N 1 2 378.458 -0.454 20 0 GBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000517379190 1072861241 /nfs/dbraw/zinc/86/12/41/1072861241.db2.gz WREOZZUFBLOSHA-GOSISDBHSA-N 1 2 399.451 -0.089 20 0 GBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000517379191 1072861468 /nfs/dbraw/zinc/86/14/68/1072861468.db2.gz WREOZZUFBLOSHA-SFHVURJKSA-N 1 2 399.451 -0.089 20 0 GBADLO O=C1NCCCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000517396044 530446561 /nfs/dbraw/zinc/44/65/61/530446561.db2.gz ZAXSLMPMVVKGAP-JTQLQIEISA-N 1 2 379.464 -0.870 20 0 GBADLO O=C1NCCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000517396045 530446499 /nfs/dbraw/zinc/44/64/99/530446499.db2.gz ZAXSLMPMVVKGAP-SNVBAGLBSA-N 1 2 379.464 -0.870 20 0 GBADLO NC(=O)COc1ccccc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000517417630 1072864262 /nfs/dbraw/zinc/86/42/62/1072864262.db2.gz ZYRXLSKWLAZOTH-UHFFFAOYSA-N 1 2 384.440 -0.107 20 0 GBADLO Cn1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000517535135 1072868563 /nfs/dbraw/zinc/86/85/63/1072868563.db2.gz KUUCGCQDWRDGJS-UHFFFAOYSA-N 1 2 382.424 -0.067 20 0 GBADLO COC[C@@H](C(N)=O)N(C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000517536582 1072867822 /nfs/dbraw/zinc/86/78/22/1072867822.db2.gz GHSPWMKPEBMHBE-KRWDZBQOSA-N 1 2 390.484 -0.302 20 0 GBADLO COCC(=O)N1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000517551031 1072868991 /nfs/dbraw/zinc/86/89/91/1072868991.db2.gz IFOZOIVZZFYLKU-KRWDZBQOSA-N 1 2 386.518 -0.306 20 0 GBADLO COCC(=O)N1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000517551032 1072868831 /nfs/dbraw/zinc/86/88/31/1072868831.db2.gz IFOZOIVZZFYLKU-QGZVFWFLSA-N 1 2 386.518 -0.306 20 0 GBADLO NC(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000517817886 1072890387 /nfs/dbraw/zinc/89/03/87/1072890387.db2.gz IGSFAHNBVOZKOT-CABCVRRESA-N 1 2 381.477 -0.926 20 0 GBADLO NC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000517817887 1072889963 /nfs/dbraw/zinc/88/99/63/1072889963.db2.gz IGSFAHNBVOZKOT-GJZGRUSLSA-N 1 2 381.477 -0.926 20 0 GBADLO NC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000517817888 1072889794 /nfs/dbraw/zinc/88/97/94/1072889794.db2.gz IGSFAHNBVOZKOT-HUUCEWRRSA-N 1 2 381.477 -0.926 20 0 GBADLO NC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000517817889 1072890449 /nfs/dbraw/zinc/89/04/49/1072890449.db2.gz IGSFAHNBVOZKOT-LSDHHAIUSA-N 1 2 381.477 -0.926 20 0 GBADLO CC(C)C(=O)NC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000517820681 1072890534 /nfs/dbraw/zinc/89/05/34/1072890534.db2.gz LHDGNKLWVDHLNZ-INIZCTEOSA-N 1 2 394.516 -0.070 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCN3CCOCC3)c2)CC1 ZINC000517835268 1072894156 /nfs/dbraw/zinc/89/41/56/1072894156.db2.gz ZCOHCNYCNKWTGG-UHFFFAOYSA-N 1 2 389.500 -0.179 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)CC1 ZINC000517836068 1072893344 /nfs/dbraw/zinc/89/33/44/1072893344.db2.gz WRSCLEUKYARJBE-UHFFFAOYSA-N 1 2 376.413 -0.229 20 0 GBADLO COc1c(F)cc(CC(=O)NCC[N@H+]2CCOC[C@H]2C)cc1S(N)(=O)=O ZINC000517838376 1072895296 /nfs/dbraw/zinc/89/52/96/1072895296.db2.gz ITRNJHJSCYURRZ-LLVKDONJSA-N 1 2 389.449 -0.139 20 0 GBADLO COc1c(F)cc(CC(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1S(N)(=O)=O ZINC000517838376 1072895292 /nfs/dbraw/zinc/89/52/92/1072895292.db2.gz ITRNJHJSCYURRZ-LLVKDONJSA-N 1 2 389.449 -0.139 20 0 GBADLO COc1c(F)cc(CC(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1S(N)(=O)=O ZINC000517838378 1072894646 /nfs/dbraw/zinc/89/46/46/1072894646.db2.gz ITRNJHJSCYURRZ-NSHDSACASA-N 1 2 389.449 -0.139 20 0 GBADLO COc1c(F)cc(CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1S(N)(=O)=O ZINC000517838378 1072894631 /nfs/dbraw/zinc/89/46/31/1072894631.db2.gz ITRNJHJSCYURRZ-NSHDSACASA-N 1 2 389.449 -0.139 20 0 GBADLO CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000517838882 530094888 /nfs/dbraw/zinc/09/48/88/530094888.db2.gz GKAPTAQOQOCTOT-UHFFFAOYSA-N 1 2 375.472 -0.023 20 0 GBADLO Cn1c2[nH]c(CCC(=O)NCC(C)(C)[NH+]3CCOCC3)nc2c(=O)[nH]c1=O ZINC000517884799 1072895523 /nfs/dbraw/zinc/89/55/23/1072895523.db2.gz VKFZKPPVABIVNY-UHFFFAOYSA-N 1 2 378.433 -0.478 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000517898645 1072896725 /nfs/dbraw/zinc/89/67/25/1072896725.db2.gz NZEJXKPAHOUSNT-AWEZNQCLSA-N 1 2 393.415 -0.141 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000517898646 1072896801 /nfs/dbraw/zinc/89/68/01/1072896801.db2.gz NZEJXKPAHOUSNT-CQSZACIVSA-N 1 2 393.415 -0.141 20 0 GBADLO COCCN(CCOC)S(=O)(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000517997785 530095130 /nfs/dbraw/zinc/09/51/30/530095130.db2.gz UKFAZNZPTQULAN-UHFFFAOYSA-N 1 2 375.495 -0.623 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000518045481 1072906753 /nfs/dbraw/zinc/90/67/53/1072906753.db2.gz QDFKATJLQQNUGO-LLVKDONJSA-N 1 2 398.441 -0.921 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000518045482 1072906667 /nfs/dbraw/zinc/90/66/67/1072906667.db2.gz QDFKATJLQQNUGO-NSHDSACASA-N 1 2 398.441 -0.921 20 0 GBADLO C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000518118179 1072910441 /nfs/dbraw/zinc/91/04/41/1072910441.db2.gz LCJGRFYJDJFNSH-AEFFLSMTSA-N 1 2 393.484 -0.453 20 0 GBADLO C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000518118180 1072911055 /nfs/dbraw/zinc/91/10/55/1072911055.db2.gz LCJGRFYJDJFNSH-FUHWJXTLSA-N 1 2 393.484 -0.453 20 0 GBADLO C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000518118181 1072910859 /nfs/dbraw/zinc/91/08/59/1072910859.db2.gz LCJGRFYJDJFNSH-SJLPKXTDSA-N 1 2 393.484 -0.453 20 0 GBADLO C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000518118182 1072910483 /nfs/dbraw/zinc/91/04/83/1072910483.db2.gz LCJGRFYJDJFNSH-WMZOPIPTSA-N 1 2 393.484 -0.453 20 0 GBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CCN3CCCS3(=O)=O)CC2)cc1 ZINC000518181801 1072917580 /nfs/dbraw/zinc/91/75/80/1072917580.db2.gz QTPFWDMHHMCKHA-UHFFFAOYSA-N 1 2 394.497 -0.145 20 0 GBADLO CC[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH]cn2)CC1 ZINC000518217896 530448622 /nfs/dbraw/zinc/44/86/22/530448622.db2.gz XZMBQAJJMKPTFE-UHFFFAOYSA-N 1 2 379.508 -0.101 20 0 GBADLO CC[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH]cn2)CC1 ZINC000518217896 530448621 /nfs/dbraw/zinc/44/86/21/530448621.db2.gz XZMBQAJJMKPTFE-UHFFFAOYSA-N 1 2 379.508 -0.101 20 0 GBADLO CC[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000518217896 530448615 /nfs/dbraw/zinc/44/86/15/530448615.db2.gz XZMBQAJJMKPTFE-UHFFFAOYSA-N 1 2 379.508 -0.101 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000518240629 1072922576 /nfs/dbraw/zinc/92/25/76/1072922576.db2.gz QLHDZBRDEPYZIY-GFCCVEGCSA-N 1 2 394.457 -0.340 20 0 GBADLO CNC(=O)c1cc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cn1C ZINC000518316182 1072925563 /nfs/dbraw/zinc/92/55/63/1072925563.db2.gz CIUVIVODKVTUNC-UHFFFAOYSA-N 1 2 385.490 -0.784 20 0 GBADLO Cn1c(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000518394900 1072931017 /nfs/dbraw/zinc/93/10/17/1072931017.db2.gz JWAYPFBAHNHIED-UHFFFAOYSA-N 1 2 377.445 -0.584 20 0 GBADLO CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000518396532 530449172 /nfs/dbraw/zinc/44/91/72/530449172.db2.gz HLKJIXIMIWVSIK-UHFFFAOYSA-N 1 2 379.464 -0.965 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC000518483676 1072935958 /nfs/dbraw/zinc/93/59/58/1072935958.db2.gz DICQQQRUIBCBET-GDBMZVCRSA-N 1 2 378.473 -0.611 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC000518483677 1072935625 /nfs/dbraw/zinc/93/56/25/1072935625.db2.gz DICQQQRUIBCBET-GOEBONIOSA-N 1 2 378.473 -0.611 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000518483678 1072935636 /nfs/dbraw/zinc/93/56/36/1072935636.db2.gz DICQQQRUIBCBET-HOCLYGCPSA-N 1 2 378.473 -0.611 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000518483679 1072935821 /nfs/dbraw/zinc/93/58/21/1072935821.db2.gz DICQQQRUIBCBET-ZBFHGGJFSA-N 1 2 378.473 -0.611 20 0 GBADLO NS(=O)(=O)C1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000518543103 1072938264 /nfs/dbraw/zinc/93/82/64/1072938264.db2.gz BFMQMHBISGVBGS-UHFFFAOYSA-N 1 2 381.458 -0.942 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3COCCO3)c2)CC1 ZINC000518565089 1072939081 /nfs/dbraw/zinc/93/90/81/1072939081.db2.gz BXCCFCUSKNCOGP-KRWDZBQOSA-N 1 2 376.457 -0.096 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3COCCO3)c2)CC1 ZINC000518565090 1072939123 /nfs/dbraw/zinc/93/91/23/1072939123.db2.gz BXCCFCUSKNCOGP-QGZVFWFLSA-N 1 2 376.457 -0.096 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000518604332 1072944032 /nfs/dbraw/zinc/94/40/32/1072944032.db2.gz WAQZWZNXTKWROL-GFCCVEGCSA-N 1 2 394.394 -0.554 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000518604333 1072944063 /nfs/dbraw/zinc/94/40/63/1072944063.db2.gz WAQZWZNXTKWROL-LBPRGKRZSA-N 1 2 394.394 -0.554 20 0 GBADLO O=C(CSCC(=O)N1CCOCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000518727678 1072952212 /nfs/dbraw/zinc/95/22/12/1072952212.db2.gz VAVNUKBKWPDOCO-UHFFFAOYSA-N 1 2 397.501 -0.254 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000518770832 1072955873 /nfs/dbraw/zinc/95/58/73/1072955873.db2.gz IHKWSNRNHVEUFU-UHFFFAOYSA-N 1 2 397.501 -0.557 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000518770832 1072955864 /nfs/dbraw/zinc/95/58/64/1072955864.db2.gz IHKWSNRNHVEUFU-UHFFFAOYSA-N 1 2 397.501 -0.557 20 0 GBADLO O=C1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CN1C1CC1 ZINC000518795779 530449563 /nfs/dbraw/zinc/44/95/63/530449563.db2.gz DJDXTCOXSQPAFJ-JTQLQIEISA-N 1 2 391.475 -0.776 20 0 GBADLO O=C1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CN1C1CC1 ZINC000518795780 530449535 /nfs/dbraw/zinc/44/95/35/530449535.db2.gz DJDXTCOXSQPAFJ-SNVBAGLBSA-N 1 2 391.475 -0.776 20 0 GBADLO COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)OC ZINC000518804082 1072958234 /nfs/dbraw/zinc/95/82/34/1072958234.db2.gz GPHCTWJGZTWEFX-CYBMUJFWSA-N 1 2 380.401 -0.531 20 0 GBADLO COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)OC ZINC000518804083 1072958414 /nfs/dbraw/zinc/95/84/14/1072958414.db2.gz GPHCTWJGZTWEFX-ZDUSSCGKSA-N 1 2 380.401 -0.531 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)[C@H](C)C1 ZINC000518824795 1072961567 /nfs/dbraw/zinc/96/15/67/1072961567.db2.gz OPKGBKXYVQZDCO-CLCXKQKWSA-N 1 2 397.472 -0.464 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)[C@H](C)C1 ZINC000518824795 1072961558 /nfs/dbraw/zinc/96/15/58/1072961558.db2.gz OPKGBKXYVQZDCO-CLCXKQKWSA-N 1 2 397.472 -0.464 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)[C@@H](C)C1 ZINC000518824796 1072961540 /nfs/dbraw/zinc/96/15/40/1072961540.db2.gz OPKGBKXYVQZDCO-KHYOSLBOSA-N 1 2 397.472 -0.464 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)[C@@H](C)C1 ZINC000518824796 1072961532 /nfs/dbraw/zinc/96/15/32/1072961532.db2.gz OPKGBKXYVQZDCO-KHYOSLBOSA-N 1 2 397.472 -0.464 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@@H](C)C1 ZINC000518824797 1072961840 /nfs/dbraw/zinc/96/18/40/1072961840.db2.gz OPKGBKXYVQZDCO-QMTMVMCOSA-N 1 2 397.472 -0.464 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@@H](C)C1 ZINC000518824797 1072961833 /nfs/dbraw/zinc/96/18/33/1072961833.db2.gz OPKGBKXYVQZDCO-QMTMVMCOSA-N 1 2 397.472 -0.464 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@H](C)C1 ZINC000518824798 1073179094 /nfs/dbraw/zinc/17/90/94/1073179094.db2.gz OPKGBKXYVQZDCO-SPYBWZPUSA-N 1 2 397.472 -0.464 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@H](C)C1 ZINC000518824798 1073179088 /nfs/dbraw/zinc/17/90/88/1073179088.db2.gz OPKGBKXYVQZDCO-SPYBWZPUSA-N 1 2 397.472 -0.464 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000518832774 530283635 /nfs/dbraw/zinc/28/36/35/530283635.db2.gz IIXVSXZKFTWFBB-AWEZNQCLSA-N 1 2 376.523 -0.237 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000518832774 530283634 /nfs/dbraw/zinc/28/36/34/530283634.db2.gz IIXVSXZKFTWFBB-AWEZNQCLSA-N 1 2 376.523 -0.237 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000518832775 530283384 /nfs/dbraw/zinc/28/33/84/530283384.db2.gz IIXVSXZKFTWFBB-CQSZACIVSA-N 1 2 376.523 -0.237 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000518832775 530283382 /nfs/dbraw/zinc/28/33/82/530283382.db2.gz IIXVSXZKFTWFBB-CQSZACIVSA-N 1 2 376.523 -0.237 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000518834996 530283684 /nfs/dbraw/zinc/28/36/84/530283684.db2.gz REDWBTKTCQRPMY-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000518834996 530283682 /nfs/dbraw/zinc/28/36/82/530283682.db2.gz REDWBTKTCQRPMY-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000518834997 530283392 /nfs/dbraw/zinc/28/33/92/530283392.db2.gz REDWBTKTCQRPMY-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO COC(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000518834997 530283391 /nfs/dbraw/zinc/28/33/91/530283391.db2.gz REDWBTKTCQRPMY-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CSc1nnc(CNC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)s1 ZINC000518836851 530283955 /nfs/dbraw/zinc/28/39/55/530283955.db2.gz SURFHKXWINFGTI-UHFFFAOYSA-N 1 2 381.487 -0.056 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000518896581 1072964008 /nfs/dbraw/zinc/96/40/08/1072964008.db2.gz XHSVZORRKNZDPM-GFCCVEGCSA-N 1 2 377.445 -0.632 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000518896590 1072964400 /nfs/dbraw/zinc/96/44/00/1072964400.db2.gz XHSVZORRKNZDPM-LBPRGKRZSA-N 1 2 377.445 -0.632 20 0 GBADLO O=C(CC[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1)N1CCOCC1 ZINC000518986711 1072971930 /nfs/dbraw/zinc/97/19/30/1072971930.db2.gz WNLIDWBWQQXCAZ-UHFFFAOYSA-N 1 2 396.513 -0.113 20 0 GBADLO COC(=O)c1nc2nc(C)cc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2n1 ZINC000519003029 1072972511 /nfs/dbraw/zinc/97/25/11/1072972511.db2.gz DTDOCKXYLGWRKX-UHFFFAOYSA-N 1 2 387.444 -0.036 20 0 GBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000519012275 1072973462 /nfs/dbraw/zinc/97/34/62/1072973462.db2.gz YJTYCYOJSWSYQO-KBPBESRZSA-N 1 2 389.456 -0.640 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000519012276 1072973204 /nfs/dbraw/zinc/97/32/04/1072973204.db2.gz YJTYCYOJSWSYQO-KGLIPLIRSA-N 1 2 389.456 -0.640 20 0 GBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000519012277 1072973216 /nfs/dbraw/zinc/97/32/16/1072973216.db2.gz YJTYCYOJSWSYQO-UONOGXRCSA-N 1 2 389.456 -0.640 20 0 GBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000519012278 1072973408 /nfs/dbraw/zinc/97/34/08/1072973408.db2.gz YJTYCYOJSWSYQO-ZIAGYGMSSA-N 1 2 389.456 -0.640 20 0 GBADLO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCS(=O)(=O)CC1 ZINC000519109475 530285659 /nfs/dbraw/zinc/28/56/59/530285659.db2.gz UTTDZELVUAUQAD-CYBMUJFWSA-N 1 2 377.488 -0.019 20 0 GBADLO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCS(=O)(=O)CC1 ZINC000519109476 530285595 /nfs/dbraw/zinc/28/55/95/530285595.db2.gz UTTDZELVUAUQAD-ZDUSSCGKSA-N 1 2 377.488 -0.019 20 0 GBADLO CNC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000519109500 1072981037 /nfs/dbraw/zinc/98/10/37/1072981037.db2.gz XDSUPQLIWJDMJT-KRWDZBQOSA-N 1 2 388.468 -0.157 20 0 GBADLO CNC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000519109501 1072980668 /nfs/dbraw/zinc/98/06/68/1072980668.db2.gz XDSUPQLIWJDMJT-QGZVFWFLSA-N 1 2 388.468 -0.157 20 0 GBADLO CCCN1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000519115180 1072981925 /nfs/dbraw/zinc/98/19/25/1072981925.db2.gz MLKOZZHMFSIVKA-INIZCTEOSA-N 1 2 382.505 -0.070 20 0 GBADLO CCCN1CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000519115181 1072981557 /nfs/dbraw/zinc/98/15/57/1072981557.db2.gz MLKOZZHMFSIVKA-MRXNPFEDSA-N 1 2 382.505 -0.070 20 0 GBADLO CC[NH+](CC)CCN(C(=O)[C@@H]1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000519178445 530286057 /nfs/dbraw/zinc/28/60/57/530286057.db2.gz KMLWNWYAVWBQLL-KBPBESRZSA-N 1 2 380.532 -0.079 20 0 GBADLO CC[NH+](CC)CCN(C(=O)[C@@H]1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000519178446 530286184 /nfs/dbraw/zinc/28/61/84/530286184.db2.gz KMLWNWYAVWBQLL-KGLIPLIRSA-N 1 2 380.532 -0.079 20 0 GBADLO CC[NH+](CC)CCN(C(=O)[C@H]1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000519178448 530285995 /nfs/dbraw/zinc/28/59/95/530285995.db2.gz KMLWNWYAVWBQLL-UONOGXRCSA-N 1 2 380.532 -0.079 20 0 GBADLO CC[NH+](CC)CCN(C(=O)[C@H]1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000519178450 530286067 /nfs/dbraw/zinc/28/60/67/530286067.db2.gz KMLWNWYAVWBQLL-ZIAGYGMSSA-N 1 2 380.532 -0.079 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000519208128 1072986063 /nfs/dbraw/zinc/98/60/63/1072986063.db2.gz RYYLLNDUKFWIGD-HNNXBMFYSA-N 1 2 381.477 -0.817 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000519208128 1072986058 /nfs/dbraw/zinc/98/60/58/1072986058.db2.gz RYYLLNDUKFWIGD-HNNXBMFYSA-N 1 2 381.477 -0.817 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000519208129 1072986028 /nfs/dbraw/zinc/98/60/28/1072986028.db2.gz RYYLLNDUKFWIGD-OAHLLOKOSA-N 1 2 381.477 -0.817 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000519208129 1072986018 /nfs/dbraw/zinc/98/60/18/1072986018.db2.gz RYYLLNDUKFWIGD-OAHLLOKOSA-N 1 2 381.477 -0.817 20 0 GBADLO CCCCOCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000519313184 1072992734 /nfs/dbraw/zinc/99/27/34/1072992734.db2.gz WKOYQJJNQVFLQE-UHFFFAOYSA-N 1 2 391.538 -0.378 20 0 GBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1OCC(N)=O ZINC000519319039 1072992698 /nfs/dbraw/zinc/99/26/98/1072992698.db2.gz WDDCVPFOHSSNHA-UHFFFAOYSA-N 1 2 376.413 -0.196 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCc3nc(C)ncc3C2)CC1 ZINC000519354950 1072995576 /nfs/dbraw/zinc/99/55/76/1072995576.db2.gz YDPNHGFDASPYJS-INIZCTEOSA-N 1 2 375.473 -0.061 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCc3nc(C)ncc3C2)CC1 ZINC000519354951 1072995500 /nfs/dbraw/zinc/99/55/00/1072995500.db2.gz YDPNHGFDASPYJS-MRXNPFEDSA-N 1 2 375.473 -0.061 20 0 GBADLO CCOC1CC(CNC(=O)C(=O)NCCn2cc[nH+]c2)(N2CCOCC2)C1 ZINC000519432294 1073004948 /nfs/dbraw/zinc/00/49/48/1073004948.db2.gz MKKQBEJCEBBCFU-UHFFFAOYSA-N 1 2 379.461 -0.615 20 0 GBADLO CSCC[C@@H](O)C(=O)N1CC[N@@H+](C)[C@H](CNC(=O)[C@@H](O)CCSC)C1 ZINC000519549360 530287298 /nfs/dbraw/zinc/28/72/98/530287298.db2.gz QSGCOAIPHBFLDE-HZSPNIEDSA-N 1 2 393.575 -0.527 20 0 GBADLO CSCC[C@@H](O)C(=O)N1CC[N@H+](C)[C@H](CNC(=O)[C@@H](O)CCSC)C1 ZINC000519549360 530287297 /nfs/dbraw/zinc/28/72/97/530287297.db2.gz QSGCOAIPHBFLDE-HZSPNIEDSA-N 1 2 393.575 -0.527 20 0 GBADLO CSCC[C@H](O)C(=O)NC[C@H]1CN(C(=O)[C@@H](O)CCSC)CC[N@H+]1C ZINC000519549374 530287191 /nfs/dbraw/zinc/28/71/91/530287191.db2.gz QSGCOAIPHBFLDE-IHRRRGAJSA-N 1 2 393.575 -0.527 20 0 GBADLO CSCC[C@H](O)C(=O)NC[C@H]1CN(C(=O)[C@@H](O)CCSC)CC[N@@H+]1C ZINC000519549374 530287189 /nfs/dbraw/zinc/28/71/89/530287189.db2.gz QSGCOAIPHBFLDE-IHRRRGAJSA-N 1 2 393.575 -0.527 20 0 GBADLO CSCC[C@@H](O)C(=O)N1CC[N@@H+](C)[C@@H](CNC(=O)[C@@H](O)CCSC)C1 ZINC000519549381 530287172 /nfs/dbraw/zinc/28/71/72/530287172.db2.gz QSGCOAIPHBFLDE-MELADBBJSA-N 1 2 393.575 -0.527 20 0 GBADLO CSCC[C@@H](O)C(=O)N1CC[N@H+](C)[C@@H](CNC(=O)[C@@H](O)CCSC)C1 ZINC000519549381 530287169 /nfs/dbraw/zinc/28/71/69/530287169.db2.gz QSGCOAIPHBFLDE-MELADBBJSA-N 1 2 393.575 -0.527 20 0 GBADLO CSCC[C@H](O)C(=O)NC[C@@H]1CN(C(=O)[C@@H](O)CCSC)CC[N@H+]1C ZINC000519549385 530287198 /nfs/dbraw/zinc/28/71/98/530287198.db2.gz QSGCOAIPHBFLDE-RDBSUJKOSA-N 1 2 393.575 -0.527 20 0 GBADLO CSCC[C@H](O)C(=O)NC[C@@H]1CN(C(=O)[C@@H](O)CCSC)CC[N@@H+]1C ZINC000519549385 530287197 /nfs/dbraw/zinc/28/71/97/530287197.db2.gz QSGCOAIPHBFLDE-RDBSUJKOSA-N 1 2 393.575 -0.527 20 0 GBADLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000519553589 1073021752 /nfs/dbraw/zinc/02/17/52/1073021752.db2.gz HMJLDPAKJVOZOG-CVEARBPZSA-N 1 2 380.489 -0.173 20 0 GBADLO CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000519553648 1073021807 /nfs/dbraw/zinc/02/18/07/1073021807.db2.gz HMJLDPAKJVOZOG-HOTGVXAUSA-N 1 2 380.489 -0.173 20 0 GBADLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000519553653 1073021854 /nfs/dbraw/zinc/02/18/54/1073021854.db2.gz HMJLDPAKJVOZOG-HZPDHXFCSA-N 1 2 380.489 -0.173 20 0 GBADLO CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000519553654 1073021691 /nfs/dbraw/zinc/02/16/91/1073021691.db2.gz HMJLDPAKJVOZOG-JKSUJKDBSA-N 1 2 380.489 -0.173 20 0 GBADLO Cc1cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc2c1c(=O)n(C)c(=O)n2C ZINC000519627120 1073080699 /nfs/dbraw/zinc/08/06/99/1073080699.db2.gz NNVQANOLOMPMKL-BETUJISGSA-N 1 2 387.440 -0.466 20 0 GBADLO Cc1cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc2c1c(=O)n(C)c(=O)n2C ZINC000519627120 1073080692 /nfs/dbraw/zinc/08/06/92/1073080692.db2.gz NNVQANOLOMPMKL-BETUJISGSA-N 1 2 387.440 -0.466 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000519650608 530287780 /nfs/dbraw/zinc/28/77/80/530287780.db2.gz BPWWJYRPUBZFIW-KBPBESRZSA-N 1 2 376.523 -0.333 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000519650608 530287779 /nfs/dbraw/zinc/28/77/79/530287779.db2.gz BPWWJYRPUBZFIW-KBPBESRZSA-N 1 2 376.523 -0.333 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000519650640 530287742 /nfs/dbraw/zinc/28/77/42/530287742.db2.gz BPWWJYRPUBZFIW-KGLIPLIRSA-N 1 2 376.523 -0.333 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000519650640 530287741 /nfs/dbraw/zinc/28/77/41/530287741.db2.gz BPWWJYRPUBZFIW-KGLIPLIRSA-N 1 2 376.523 -0.333 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000519650644 530287774 /nfs/dbraw/zinc/28/77/74/530287774.db2.gz BPWWJYRPUBZFIW-UONOGXRCSA-N 1 2 376.523 -0.333 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000519650644 530287773 /nfs/dbraw/zinc/28/77/73/530287773.db2.gz BPWWJYRPUBZFIW-UONOGXRCSA-N 1 2 376.523 -0.333 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000519650648 530287794 /nfs/dbraw/zinc/28/77/94/530287794.db2.gz BPWWJYRPUBZFIW-ZIAGYGMSSA-N 1 2 376.523 -0.333 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000519650648 530287793 /nfs/dbraw/zinc/28/77/93/530287793.db2.gz BPWWJYRPUBZFIW-ZIAGYGMSSA-N 1 2 376.523 -0.333 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000519690099 1073084784 /nfs/dbraw/zinc/08/47/84/1073084784.db2.gz QRNCWLHOYIHICD-LTIDMASMSA-N 1 2 380.489 -0.903 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000519690103 1073084703 /nfs/dbraw/zinc/08/47/03/1073084703.db2.gz QRNCWLHOYIHICD-LUKYLMHMSA-N 1 2 380.489 -0.903 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)C[C@H]1[NH+]1CCOCC1 ZINC000519690105 1073084590 /nfs/dbraw/zinc/08/45/90/1073084590.db2.gz QRNCWLHOYIHICD-VVLHAWIVSA-N 1 2 380.489 -0.903 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)C[C@H]1[NH+]1CCOCC1 ZINC000519690106 1073084988 /nfs/dbraw/zinc/08/49/88/1073084988.db2.gz QRNCWLHOYIHICD-WCXIOVBPSA-N 1 2 380.489 -0.903 20 0 GBADLO O=S(=O)(c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1)N1CCOCC1 ZINC000519715951 1073086010 /nfs/dbraw/zinc/08/60/10/1073086010.db2.gz REVHWZAUYVVIFL-HNNXBMFYSA-N 1 2 386.470 -0.221 20 0 GBADLO O=S(=O)(c1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1)N1CCOCC1 ZINC000519716042 1073086686 /nfs/dbraw/zinc/08/66/86/1073086686.db2.gz REVHWZAUYVVIFL-OAHLLOKOSA-N 1 2 386.470 -0.221 20 0 GBADLO COc1ccnc(N2CCN(C(=O)C(=O)NCCCCn3cc[nH+]c3)CC2)n1 ZINC000519722112 1073085413 /nfs/dbraw/zinc/08/54/13/1073085413.db2.gz OERKEKWKJFFALT-UHFFFAOYSA-N 1 2 387.444 -0.073 20 0 GBADLO CNC(=O)[C@H](CCSC)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519728503 1073085593 /nfs/dbraw/zinc/08/55/93/1073085593.db2.gz PJBIXIYVJDIFQQ-KBPBESRZSA-N 1 2 386.518 -0.849 20 0 GBADLO CNC(=O)[C@H](CCSC)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519728521 1073085843 /nfs/dbraw/zinc/08/58/43/1073085843.db2.gz PJBIXIYVJDIFQQ-KGLIPLIRSA-N 1 2 386.518 -0.849 20 0 GBADLO COc1cccc2c1C[C@H](NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)C2 ZINC000519748451 1073086405 /nfs/dbraw/zinc/08/64/05/1073086405.db2.gz OTZSSUFBIOJWBC-CABCVRRESA-N 1 2 376.457 -0.010 20 0 GBADLO COc1cccc2c1C[C@H](NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)C2 ZINC000519748451 1073086391 /nfs/dbraw/zinc/08/63/91/1073086391.db2.gz OTZSSUFBIOJWBC-CABCVRRESA-N 1 2 376.457 -0.010 20 0 GBADLO COc1cccc2c1C[C@@H](NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)C2 ZINC000519748465 1073086243 /nfs/dbraw/zinc/08/62/43/1073086243.db2.gz OTZSSUFBIOJWBC-GJZGRUSLSA-N 1 2 376.457 -0.010 20 0 GBADLO COc1cccc2c1C[C@@H](NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)C2 ZINC000519748465 1073086227 /nfs/dbraw/zinc/08/62/27/1073086227.db2.gz OTZSSUFBIOJWBC-GJZGRUSLSA-N 1 2 376.457 -0.010 20 0 GBADLO COc1cccc2c1C[C@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C2 ZINC000519748467 1073086353 /nfs/dbraw/zinc/08/63/53/1073086353.db2.gz OTZSSUFBIOJWBC-HUUCEWRRSA-N 1 2 376.457 -0.010 20 0 GBADLO COc1cccc2c1C[C@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C2 ZINC000519748467 1073086340 /nfs/dbraw/zinc/08/63/40/1073086340.db2.gz OTZSSUFBIOJWBC-HUUCEWRRSA-N 1 2 376.457 -0.010 20 0 GBADLO COc1cccc2c1C[C@@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C2 ZINC000519748469 1073086652 /nfs/dbraw/zinc/08/66/52/1073086652.db2.gz OTZSSUFBIOJWBC-LSDHHAIUSA-N 1 2 376.457 -0.010 20 0 GBADLO COc1cccc2c1C[C@@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C2 ZINC000519748469 1073086639 /nfs/dbraw/zinc/08/66/39/1073086639.db2.gz OTZSSUFBIOJWBC-LSDHHAIUSA-N 1 2 376.457 -0.010 20 0 GBADLO O=C(CN1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1)N1CCCCC1 ZINC000519751520 1073086185 /nfs/dbraw/zinc/08/61/85/1073086185.db2.gz QAXYYFJGVRLXIC-UHFFFAOYSA-N 1 2 391.516 -0.550 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(C2CCOCC2)nn1 ZINC000519790308 1073088468 /nfs/dbraw/zinc/08/84/68/1073088468.db2.gz GEJLEUBRRZCJDD-AWEZNQCLSA-N 1 2 392.460 -0.708 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(C2CCOCC2)nn1 ZINC000519790472 1073088881 /nfs/dbraw/zinc/08/88/81/1073088881.db2.gz GEJLEUBRRZCJDD-CQSZACIVSA-N 1 2 392.460 -0.708 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(N2CC[NH+](C3CC3)CC2)c(S(N)(=O)=O)c1 ZINC000519803468 530288179 /nfs/dbraw/zinc/28/81/79/530288179.db2.gz MCLJNWKNUATHCT-UHFFFAOYSA-N 1 2 388.515 -0.131 20 0 GBADLO CCO[C@H](C)c1noc(CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)n1 ZINC000519829410 1073090859 /nfs/dbraw/zinc/09/08/59/1073090859.db2.gz VBABIQPGCSPTHI-CYBMUJFWSA-N 1 2 380.449 -0.757 20 0 GBADLO CCO[C@@H](C)c1noc(CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)n1 ZINC000519829520 1073090148 /nfs/dbraw/zinc/09/01/48/1073090148.db2.gz VBABIQPGCSPTHI-ZDUSSCGKSA-N 1 2 380.449 -0.757 20 0 GBADLO O=C(NC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1)C1CC1 ZINC000519837864 530450636 /nfs/dbraw/zinc/45/06/36/530450636.db2.gz XPXMEIHRLYBORT-UHFFFAOYSA-N 1 2 391.475 -0.918 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000519843095 1073092344 /nfs/dbraw/zinc/09/23/44/1073092344.db2.gz LXTUFUOROAMWDP-GFCCVEGCSA-N 1 2 399.469 -0.043 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000519843095 1073092331 /nfs/dbraw/zinc/09/23/31/1073092331.db2.gz LXTUFUOROAMWDP-GFCCVEGCSA-N 1 2 399.469 -0.043 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000519843143 1073092412 /nfs/dbraw/zinc/09/24/12/1073092412.db2.gz LXTUFUOROAMWDP-LBPRGKRZSA-N 1 2 399.469 -0.043 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)C1 ZINC000519843143 1073092397 /nfs/dbraw/zinc/09/23/97/1073092397.db2.gz LXTUFUOROAMWDP-LBPRGKRZSA-N 1 2 399.469 -0.043 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000519932693 530073065 /nfs/dbraw/zinc/07/30/65/530073065.db2.gz XEALVWJRFVSQPY-UHFFFAOYSA-N 1 2 382.471 -0.229 20 0 GBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000519945432 1073098363 /nfs/dbraw/zinc/09/83/63/1073098363.db2.gz PEZYRRPVLDHVRW-CYBMUJFWSA-N 1 2 376.417 -0.726 20 0 GBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000519945433 1072174559 /nfs/dbraw/zinc/17/45/59/1072174559.db2.gz PEZYRRPVLDHVRW-ZDUSSCGKSA-N 1 2 376.417 -0.726 20 0 GBADLO CC(C)NS(=O)(=O)CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000520167288 1073107764 /nfs/dbraw/zinc/10/77/64/1073107764.db2.gz ATFDHJFMDFJPRD-UHFFFAOYSA-N 1 2 399.521 -0.774 20 0 GBADLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1=O ZINC000520187928 1073109035 /nfs/dbraw/zinc/10/90/35/1073109035.db2.gz NDHWLMSGLKIGLK-SFHVURJKSA-N 1 2 390.444 -0.126 20 0 GBADLO CN(CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ncnc2nc[nH]c21 ZINC000520188064 1073108992 /nfs/dbraw/zinc/10/89/92/1073108992.db2.gz VCHLHJPHCKUDOK-UHFFFAOYSA-N 1 2 385.432 -0.044 20 0 GBADLO Cc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1C(N)=O ZINC000520267091 1073112205 /nfs/dbraw/zinc/11/22/05/1073112205.db2.gz SYNCZKOPDCDTOH-UHFFFAOYSA-N 1 2 382.486 -0.075 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000520268982 1073112373 /nfs/dbraw/zinc/11/23/73/1073112373.db2.gz SNOXYUKPJLEXMJ-UHFFFAOYSA-N 1 2 396.469 -0.152 20 0 GBADLO O=C(CCS(=O)(=O)C1CCCC1)NCC(=O)NCC[NH+]1CCOCC1 ZINC000520304326 530289084 /nfs/dbraw/zinc/28/90/84/530289084.db2.gz FAMYCOINODOLAK-UHFFFAOYSA-N 1 2 375.491 -0.702 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]([NH3+])c3cscn3)CC2)cn1C ZINC000520396891 530289697 /nfs/dbraw/zinc/28/96/97/530289697.db2.gz SNQNTIDNPHNYHD-CYBMUJFWSA-N 1 2 384.487 -0.282 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])c3cscn3)CC2)cn1C ZINC000520396892 530289627 /nfs/dbraw/zinc/28/96/27/530289627.db2.gz SNQNTIDNPHNYHD-ZDUSSCGKSA-N 1 2 384.487 -0.282 20 0 GBADLO CC(C)CO[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000520429174 530289657 /nfs/dbraw/zinc/28/96/57/530289657.db2.gz JBAATEWBFRQSGK-HNNXBMFYSA-N 1 2 376.523 -0.316 20 0 GBADLO CC(C)CO[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000520429175 530289515 /nfs/dbraw/zinc/28/95/15/530289515.db2.gz JBAATEWBFRQSGK-OAHLLOKOSA-N 1 2 376.523 -0.316 20 0 GBADLO O=C(CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000520510632 1073176712 /nfs/dbraw/zinc/17/67/12/1073176712.db2.gz ZCFOTWTUMZPLCC-GASCZTMLSA-N 1 2 378.473 -0.658 20 0 GBADLO O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCC1(N2CCOCC2)CCCCC1 ZINC000520510632 1073176697 /nfs/dbraw/zinc/17/66/97/1073176697.db2.gz ZCFOTWTUMZPLCC-GASCZTMLSA-N 1 2 378.473 -0.658 20 0 GBADLO O=C(C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000520510632 1073176692 /nfs/dbraw/zinc/17/66/92/1073176692.db2.gz ZCFOTWTUMZPLCC-GASCZTMLSA-N 1 2 378.473 -0.658 20 0 GBADLO O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000520510632 1073176678 /nfs/dbraw/zinc/17/66/78/1073176678.db2.gz ZCFOTWTUMZPLCC-GASCZTMLSA-N 1 2 378.473 -0.658 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)C3CCCCC3)CC2)CC1 ZINC000520518089 530289743 /nfs/dbraw/zinc/28/97/43/530289743.db2.gz MVIVAKOAMFJFQH-UHFFFAOYSA-N 1 2 394.563 -0.241 20 0 GBADLO O=C(CCNC(=O)C(=O)NCCn1cc[nH+]c1)N1CCN(c2ccccc2)CC1 ZINC000520543131 1073181296 /nfs/dbraw/zinc/18/12/96/1073181296.db2.gz AZCYVPFEAWUYCK-UHFFFAOYSA-N 1 2 398.467 -0.146 20 0 GBADLO C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1COc2ccccc21 ZINC000520557634 1073182204 /nfs/dbraw/zinc/18/22/04/1073182204.db2.gz ZSDKZDSTAVOCJX-UXLLHSPISA-N 1 2 391.468 -0.181 20 0 GBADLO C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@H]1COc2ccccc21 ZINC000520557635 1073182111 /nfs/dbraw/zinc/18/21/11/1073182111.db2.gz ZSDKZDSTAVOCJX-YQQAZPJKSA-N 1 2 391.468 -0.181 20 0 GBADLO C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@H]1COc2ccccc21 ZINC000520557636 1073182012 /nfs/dbraw/zinc/18/20/12/1073182012.db2.gz ZSDKZDSTAVOCJX-ZMSDIMECSA-N 1 2 391.468 -0.181 20 0 GBADLO C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@@H]1COc2ccccc21 ZINC000520557637 1073182101 /nfs/dbraw/zinc/18/21/01/1073182101.db2.gz ZSDKZDSTAVOCJX-ZOBUZTSGSA-N 1 2 391.468 -0.181 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000520590577 1073184890 /nfs/dbraw/zinc/18/48/90/1073184890.db2.gz OVJHNSCBSXPKQF-UHFFFAOYSA-N 1 2 397.439 -0.502 20 0 GBADLO CC[C@](C)(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520619919 1073187917 /nfs/dbraw/zinc/18/79/17/1073187917.db2.gz FJUXLYWWTAKIAX-KRWDZBQOSA-N 1 2 399.517 -0.006 20 0 GBADLO CC[C@@](C)(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520619920 1073187963 /nfs/dbraw/zinc/18/79/63/1073187963.db2.gz FJUXLYWWTAKIAX-QGZVFWFLSA-N 1 2 399.517 -0.006 20 0 GBADLO CC[NH+]1CCN(C(=O)CNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000520628421 1073188926 /nfs/dbraw/zinc/18/89/26/1073188926.db2.gz ZLIQQRUAIOKFGD-UHFFFAOYSA-N 1 2 399.451 -0.462 20 0 GBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCNC(=O)c3cnccn3)C2)CC1 ZINC000520710490 1073196060 /nfs/dbraw/zinc/19/60/60/1073196060.db2.gz VOETUJXPOHWQIE-HNNXBMFYSA-N 1 2 375.477 -0.372 20 0 GBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCNC(=O)c3cnccn3)C2)CC1 ZINC000520710491 1073196121 /nfs/dbraw/zinc/19/61/21/1073196121.db2.gz VOETUJXPOHWQIE-OAHLLOKOSA-N 1 2 375.477 -0.372 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000520718657 530290673 /nfs/dbraw/zinc/29/06/73/530290673.db2.gz RKLLGRBQLSIFBC-JTQLQIEISA-N 1 2 388.266 -0.537 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000520718658 530290797 /nfs/dbraw/zinc/29/07/97/530290797.db2.gz RKLLGRBQLSIFBC-SNVBAGLBSA-N 1 2 388.266 -0.537 20 0 GBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000520726380 1073197307 /nfs/dbraw/zinc/19/73/07/1073197307.db2.gz NJJWWAXPWICDST-DLBZAZTESA-N 1 2 382.553 -0.136 20 0 GBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000520726381 1073197517 /nfs/dbraw/zinc/19/75/17/1073197517.db2.gz NJJWWAXPWICDST-IAGOWNOFSA-N 1 2 382.553 -0.136 20 0 GBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000520726382 1073197733 /nfs/dbraw/zinc/19/77/33/1073197733.db2.gz NJJWWAXPWICDST-IRXDYDNUSA-N 1 2 382.553 -0.136 20 0 GBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000520726383 1073197542 /nfs/dbraw/zinc/19/75/42/1073197542.db2.gz NJJWWAXPWICDST-SJORKVTESA-N 1 2 382.553 -0.136 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](OC(F)F)C2)CC1 ZINC000520761579 1073201873 /nfs/dbraw/zinc/20/18/73/1073201873.db2.gz YVJJVNCXWAGKPO-ZDUSSCGKSA-N 1 2 379.404 -0.368 20 0 GBADLO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000520827263 1073229822 /nfs/dbraw/zinc/22/98/22/1073229822.db2.gz RXQIJSFZLBQXSJ-UHFFFAOYSA-N 1 2 380.426 -0.402 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCCO[C@H](CF)C1)Nc1c[nH+]c[nH]1 ZINC000520839765 530451998 /nfs/dbraw/zinc/45/19/98/530451998.db2.gz RKLADRQZYNQWDX-LLVKDONJSA-N 1 2 384.455 -0.068 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCCO[C@@H](CF)C1)Nc1c[nH+]c[nH]1 ZINC000520839766 530452036 /nfs/dbraw/zinc/45/20/36/530452036.db2.gz RKLADRQZYNQWDX-NSHDSACASA-N 1 2 384.455 -0.068 20 0 GBADLO CC(C)(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520856866 1073231807 /nfs/dbraw/zinc/23/18/07/1073231807.db2.gz VBEDJKNXLKGMGD-UHFFFAOYSA-N 1 2 385.490 -0.397 20 0 GBADLO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000520858532 1073231929 /nfs/dbraw/zinc/23/19/29/1073231929.db2.gz JASUHQHXBDYRML-UHFFFAOYSA-N 1 2 388.428 -0.820 20 0 GBADLO O=C(NCCN1CCN(c2ncccn2)CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000521077385 1073247944 /nfs/dbraw/zinc/24/79/44/1073247944.db2.gz FPHRKFBXEYQAEF-UHFFFAOYSA-N 1 2 387.488 -0.979 20 0 GBADLO COC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)C(C)C ZINC000521120724 530462189 /nfs/dbraw/zinc/46/21/89/530462189.db2.gz HVHNBLZMYJSNPK-HIFRSBDPSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)C(C)C ZINC000521120724 530462187 /nfs/dbraw/zinc/46/21/87/530462187.db2.gz HVHNBLZMYJSNPK-HIFRSBDPSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)C(C)C ZINC000521120725 530462450 /nfs/dbraw/zinc/46/24/50/530462450.db2.gz HVHNBLZMYJSNPK-ZFWWWQNUSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)C(C)C ZINC000521120725 530462448 /nfs/dbraw/zinc/46/24/48/530462448.db2.gz HVHNBLZMYJSNPK-ZFWWWQNUSA-N 1 2 375.491 -0.200 20 0 GBADLO COCCN(C)S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521146867 1073255201 /nfs/dbraw/zinc/25/52/01/1073255201.db2.gz WIJPQCAVRRYSTE-UHFFFAOYSA-N 1 2 385.490 -0.467 20 0 GBADLO Cn1c(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc2c1n(C)c(=O)n(C)c2=O ZINC000521201270 1073258960 /nfs/dbraw/zinc/25/89/60/1073258960.db2.gz VQPCWYFVJWABFE-TXEJJXNPSA-N 1 2 375.429 -0.831 20 0 GBADLO Cn1c(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc2c1n(C)c(=O)n(C)c2=O ZINC000521201270 1073258954 /nfs/dbraw/zinc/25/89/54/1073258954.db2.gz VQPCWYFVJWABFE-TXEJJXNPSA-N 1 2 375.429 -0.831 20 0 GBADLO Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)cnc21 ZINC000521316042 1073264613 /nfs/dbraw/zinc/26/46/13/1073264613.db2.gz AKPZGUFZVLOVCD-UHFFFAOYSA-N 1 2 399.411 -0.185 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC000521340724 1073265430 /nfs/dbraw/zinc/26/54/30/1073265430.db2.gz XEQPVKRTTCVSOH-UHFFFAOYSA-N 1 2 387.440 -0.348 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC000521340724 1073265426 /nfs/dbraw/zinc/26/54/26/1073265426.db2.gz XEQPVKRTTCVSOH-UHFFFAOYSA-N 1 2 387.440 -0.348 20 0 GBADLO CC(=O)N1CC[NH+](CCNC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000521360913 530076202 /nfs/dbraw/zinc/07/62/02/530076202.db2.gz MYBYPUDJHQWTIE-UHFFFAOYSA-N 1 2 388.515 -0.303 20 0 GBADLO Cc1cccn2cc(CC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)[nH+]c12 ZINC000521389751 1072239074 /nfs/dbraw/zinc/23/90/74/1072239074.db2.gz MZACFIUPYFMKLQ-CVEARBPZSA-N 1 2 392.481 -0.201 20 0 GBADLO Cc1cccn2cc(CC(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)[nH+]c12 ZINC000521389752 1073268548 /nfs/dbraw/zinc/26/85/48/1073268548.db2.gz MZACFIUPYFMKLQ-HOTGVXAUSA-N 1 2 392.481 -0.201 20 0 GBADLO Cc1cccn2cc(CC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)[nH+]c12 ZINC000521389753 1073268385 /nfs/dbraw/zinc/26/83/85/1073268385.db2.gz MZACFIUPYFMKLQ-HZPDHXFCSA-N 1 2 392.481 -0.201 20 0 GBADLO Cc1cccn2cc(CC(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)[nH+]c12 ZINC000521389754 1073268483 /nfs/dbraw/zinc/26/84/83/1073268483.db2.gz MZACFIUPYFMKLQ-JKSUJKDBSA-N 1 2 392.481 -0.201 20 0 GBADLO [NH3+][C@H](C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1c(F)cccc1F ZINC000521441348 1073270190 /nfs/dbraw/zinc/27/01/90/1073270190.db2.gz MEZHWCWEOVXQMC-KRWDZBQOSA-N 1 2 382.411 -0.032 20 0 GBADLO [NH3+][C@@H](C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1c(F)cccc1F ZINC000521441349 1073269903 /nfs/dbraw/zinc/26/99/03/1073269903.db2.gz MEZHWCWEOVXQMC-QGZVFWFLSA-N 1 2 382.411 -0.032 20 0 GBADLO NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000521462513 530452923 /nfs/dbraw/zinc/45/29/23/530452923.db2.gz KBJKZVIVNAQOBA-ZJUUUORDSA-N 1 2 379.464 -0.885 20 0 GBADLO NC(=O)Nc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000521467502 1073270842 /nfs/dbraw/zinc/27/08/42/1073270842.db2.gz ZOCSGBWGIVDORS-HNNXBMFYSA-N 1 2 389.456 -0.026 20 0 GBADLO NC(=O)Nc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000521467505 1073947447 /nfs/dbraw/zinc/94/74/47/1073947447.db2.gz ZOCSGBWGIVDORS-OAHLLOKOSA-N 1 2 389.456 -0.026 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CCC[C@]2(C)CO)CC1 ZINC000521571982 1073273324 /nfs/dbraw/zinc/27/33/24/1073273324.db2.gz FRBFBDPLUWYRDA-GOSISDBHSA-N 1 2 387.444 -0.615 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CCC[C@@]2(C)CO)CC1 ZINC000521571988 1073273779 /nfs/dbraw/zinc/27/37/79/1073273779.db2.gz FRBFBDPLUWYRDA-SFHVURJKSA-N 1 2 387.444 -0.615 20 0 GBADLO CS(=O)(=O)NCCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000521581017 1073273716 /nfs/dbraw/zinc/27/37/16/1073273716.db2.gz RXAAAEODQVIDFY-UHFFFAOYSA-N 1 2 385.486 -0.047 20 0 GBADLO CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000521631951 530462705 /nfs/dbraw/zinc/46/27/05/530462705.db2.gz UISKDQOEWCGHBY-DZGCQCFKSA-N 1 2 392.547 -0.473 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000521631952 530462834 /nfs/dbraw/zinc/46/28/34/530462834.db2.gz UISKDQOEWCGHBY-HIFRSBDPSA-N 1 2 392.547 -0.473 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000521631954 530462652 /nfs/dbraw/zinc/46/26/52/530462652.db2.gz UISKDQOEWCGHBY-UKRRQHHQSA-N 1 2 392.547 -0.473 20 0 GBADLO CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000521631956 530462800 /nfs/dbraw/zinc/46/28/00/530462800.db2.gz UISKDQOEWCGHBY-ZFWWWQNUSA-N 1 2 392.547 -0.473 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000521685062 1073276489 /nfs/dbraw/zinc/27/64/89/1073276489.db2.gz UHACPQFKDATWFM-UHFFFAOYSA-N 1 2 383.493 -0.523 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1S(=O)(=O)N(C)C ZINC000521742258 1073278449 /nfs/dbraw/zinc/27/84/49/1073278449.db2.gz PNOQLZKTISCBGR-DZGCQCFKSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1S(=O)(=O)N(C)C ZINC000521742258 1073278445 /nfs/dbraw/zinc/27/84/45/1073278445.db2.gz PNOQLZKTISCBGR-DZGCQCFKSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N(C)C ZINC000521742259 1073278505 /nfs/dbraw/zinc/27/85/05/1073278505.db2.gz PNOQLZKTISCBGR-HIFRSBDPSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N(C)C ZINC000521742259 1073278501 /nfs/dbraw/zinc/27/85/01/1073278501.db2.gz PNOQLZKTISCBGR-HIFRSBDPSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1S(=O)(=O)N(C)C ZINC000521742260 1073278665 /nfs/dbraw/zinc/27/86/65/1073278665.db2.gz PNOQLZKTISCBGR-UKRRQHHQSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1S(=O)(=O)N(C)C ZINC000521742260 1073278663 /nfs/dbraw/zinc/27/86/63/1073278663.db2.gz PNOQLZKTISCBGR-UKRRQHHQSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N(C)C ZINC000521742261 1073278640 /nfs/dbraw/zinc/27/86/40/1073278640.db2.gz PNOQLZKTISCBGR-ZFWWWQNUSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1S(=O)(=O)N(C)C ZINC000521742261 1073278637 /nfs/dbraw/zinc/27/86/37/1073278637.db2.gz PNOQLZKTISCBGR-ZFWWWQNUSA-N 1 2 385.486 -0.141 20 0 GBADLO COCCOCCOCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000521875276 530463243 /nfs/dbraw/zinc/46/32/43/530463243.db2.gz XFEUOHDPFUNPIW-AWEZNQCLSA-N 1 2 376.479 -0.624 20 0 GBADLO COCCOCCOCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000521875277 530463197 /nfs/dbraw/zinc/46/31/97/530463197.db2.gz XFEUOHDPFUNPIW-CQSZACIVSA-N 1 2 376.479 -0.624 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC000521885707 1073281659 /nfs/dbraw/zinc/28/16/59/1073281659.db2.gz XBAMODHFPZLEJU-UHFFFAOYSA-N 1 2 378.477 -0.561 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC000521885707 1073281653 /nfs/dbraw/zinc/28/16/53/1073281653.db2.gz XBAMODHFPZLEJU-UHFFFAOYSA-N 1 2 378.477 -0.561 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1c[nH+]c[nH]1)NC[C@]1(O)CCSC1 ZINC000521899073 530463072 /nfs/dbraw/zinc/46/30/72/530463072.db2.gz IILUKZNMVHMEII-LLVKDONJSA-N 1 2 384.505 -0.671 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)Nc1c[nH+]c[nH]1)NC[C@@]1(O)CCSC1 ZINC000521899074 530463166 /nfs/dbraw/zinc/46/31/66/530463166.db2.gz IILUKZNMVHMEII-NSHDSACASA-N 1 2 384.505 -0.671 20 0 GBADLO CC(C)[C@H](C(=O)NCC(=O)NCCN1CCOCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000521913661 1073283034 /nfs/dbraw/zinc/28/30/34/1073283034.db2.gz AXKXBKBQWHAHJU-JFIYKMOQSA-N 1 2 384.521 -0.315 20 0 GBADLO CC(C)[C@@H](C(=O)NCC(=O)NCCN1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521913662 1073283195 /nfs/dbraw/zinc/28/31/95/1073283195.db2.gz AXKXBKBQWHAHJU-JZXOWHBKSA-N 1 2 384.521 -0.315 20 0 GBADLO CC(C)[C@@H](C(=O)NCC(=O)NCCN1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521913662 1073283192 /nfs/dbraw/zinc/28/31/92/1073283192.db2.gz AXKXBKBQWHAHJU-JZXOWHBKSA-N 1 2 384.521 -0.315 20 0 GBADLO CC(C)[C@@H](C(=O)NCC(=O)NCCN1CCOCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000521913663 1073283017 /nfs/dbraw/zinc/28/30/17/1073283017.db2.gz AXKXBKBQWHAHJU-NUJGCVRESA-N 1 2 384.521 -0.315 20 0 GBADLO CC(C)[C@H](C(=O)NCC(=O)NCCN1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521913664 1073282768 /nfs/dbraw/zinc/28/27/68/1073282768.db2.gz AXKXBKBQWHAHJU-SOLBZPMBSA-N 1 2 384.521 -0.315 20 0 GBADLO CC(C)[C@H](C(=O)NCC(=O)NCCN1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521913664 1073282765 /nfs/dbraw/zinc/28/27/65/1073282765.db2.gz AXKXBKBQWHAHJU-SOLBZPMBSA-N 1 2 384.521 -0.315 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000521942982 1073283750 /nfs/dbraw/zinc/28/37/50/1073283750.db2.gz IYUGTCAENVZLLI-HNNXBMFYSA-N 1 2 396.488 -0.937 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000521942982 1073283745 /nfs/dbraw/zinc/28/37/45/1073283745.db2.gz IYUGTCAENVZLLI-HNNXBMFYSA-N 1 2 396.488 -0.937 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)[C@H](C)C1 ZINC000521942983 1073283853 /nfs/dbraw/zinc/28/38/53/1073283853.db2.gz IYUGTCAENVZLLI-OAHLLOKOSA-N 1 2 396.488 -0.937 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)[C@H](C)C1 ZINC000521942983 1073283847 /nfs/dbraw/zinc/28/38/47/1073283847.db2.gz IYUGTCAENVZLLI-OAHLLOKOSA-N 1 2 396.488 -0.937 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000521944661 1073283657 /nfs/dbraw/zinc/28/36/57/1073283657.db2.gz JEEWTCKEPABWON-KBPBESRZSA-N 1 2 385.490 -0.237 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000521944661 1073283654 /nfs/dbraw/zinc/28/36/54/1073283654.db2.gz JEEWTCKEPABWON-KBPBESRZSA-N 1 2 385.490 -0.237 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000521944662 1073283615 /nfs/dbraw/zinc/28/36/15/1073283615.db2.gz JEEWTCKEPABWON-KGLIPLIRSA-N 1 2 385.490 -0.237 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000521944662 1073283612 /nfs/dbraw/zinc/28/36/12/1073283612.db2.gz JEEWTCKEPABWON-KGLIPLIRSA-N 1 2 385.490 -0.237 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000521944663 1073283535 /nfs/dbraw/zinc/28/35/35/1073283535.db2.gz JEEWTCKEPABWON-UONOGXRCSA-N 1 2 385.490 -0.237 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000521944663 1073283531 /nfs/dbraw/zinc/28/35/31/1073283531.db2.gz JEEWTCKEPABWON-UONOGXRCSA-N 1 2 385.490 -0.237 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000521944664 1073284412 /nfs/dbraw/zinc/28/44/12/1073284412.db2.gz JEEWTCKEPABWON-ZIAGYGMSSA-N 1 2 385.490 -0.237 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000521944664 1073284410 /nfs/dbraw/zinc/28/44/10/1073284410.db2.gz JEEWTCKEPABWON-ZIAGYGMSSA-N 1 2 385.490 -0.237 20 0 GBADLO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC[N@H+]1CCO ZINC000521946747 530463253 /nfs/dbraw/zinc/46/32/53/530463253.db2.gz CLNAMZWPUHQQOA-LLVKDONJSA-N 1 2 377.413 -0.232 20 0 GBADLO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC[N@@H+]1CCO ZINC000521946747 530463250 /nfs/dbraw/zinc/46/32/50/530463250.db2.gz CLNAMZWPUHQQOA-LLVKDONJSA-N 1 2 377.413 -0.232 20 0 GBADLO C[C@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC[N@H+]1CCO ZINC000521946748 530462984 /nfs/dbraw/zinc/46/29/84/530462984.db2.gz CLNAMZWPUHQQOA-NSHDSACASA-N 1 2 377.413 -0.232 20 0 GBADLO C[C@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC[N@@H+]1CCO ZINC000521946748 530462982 /nfs/dbraw/zinc/46/29/82/530462982.db2.gz CLNAMZWPUHQQOA-NSHDSACASA-N 1 2 377.413 -0.232 20 0 GBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000521976486 530463128 /nfs/dbraw/zinc/46/31/28/530463128.db2.gz YYLOSASDUORSGM-AOOOYVTPSA-N 1 2 387.234 -0.309 20 0 GBADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)C1 ZINC000522008022 1073290383 /nfs/dbraw/zinc/29/03/83/1073290383.db2.gz OFVGESLXUSVPFO-GDBMZVCRSA-N 1 2 394.859 -0.214 20 0 GBADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)C1 ZINC000522008022 1073290381 /nfs/dbraw/zinc/29/03/81/1073290381.db2.gz OFVGESLXUSVPFO-GDBMZVCRSA-N 1 2 394.859 -0.214 20 0 GBADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)C1 ZINC000522008024 1073290335 /nfs/dbraw/zinc/29/03/35/1073290335.db2.gz OFVGESLXUSVPFO-GOEBONIOSA-N 1 2 394.859 -0.214 20 0 GBADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)C1 ZINC000522008024 1073290331 /nfs/dbraw/zinc/29/03/31/1073290331.db2.gz OFVGESLXUSVPFO-GOEBONIOSA-N 1 2 394.859 -0.214 20 0 GBADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)C1 ZINC000522008026 1073289997 /nfs/dbraw/zinc/28/99/97/1073289997.db2.gz OFVGESLXUSVPFO-HOCLYGCPSA-N 1 2 394.859 -0.214 20 0 GBADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)C1 ZINC000522008026 1073289991 /nfs/dbraw/zinc/28/99/91/1073289991.db2.gz OFVGESLXUSVPFO-HOCLYGCPSA-N 1 2 394.859 -0.214 20 0 GBADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)C1 ZINC000522008027 1073290204 /nfs/dbraw/zinc/29/02/04/1073290204.db2.gz OFVGESLXUSVPFO-ZBFHGGJFSA-N 1 2 394.859 -0.214 20 0 GBADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)C1 ZINC000522008027 1073290201 /nfs/dbraw/zinc/29/02/01/1073290201.db2.gz OFVGESLXUSVPFO-ZBFHGGJFSA-N 1 2 394.859 -0.214 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000522009210 1073289879 /nfs/dbraw/zinc/28/98/79/1073289879.db2.gz ZDDRVTMEZBXIBM-GXTWGEPZSA-N 1 2 385.490 -0.367 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000522009210 1073289875 /nfs/dbraw/zinc/28/98/75/1073289875.db2.gz ZDDRVTMEZBXIBM-GXTWGEPZSA-N 1 2 385.490 -0.367 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000522009211 1073290119 /nfs/dbraw/zinc/29/01/19/1073290119.db2.gz ZDDRVTMEZBXIBM-JSGCOSHPSA-N 1 2 385.490 -0.367 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000522009211 1073290112 /nfs/dbraw/zinc/29/01/12/1073290112.db2.gz ZDDRVTMEZBXIBM-JSGCOSHPSA-N 1 2 385.490 -0.367 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000522009212 1073290363 /nfs/dbraw/zinc/29/03/63/1073290363.db2.gz ZDDRVTMEZBXIBM-OCCSQVGLSA-N 1 2 385.490 -0.367 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000522009212 1073290358 /nfs/dbraw/zinc/29/03/58/1073290358.db2.gz ZDDRVTMEZBXIBM-OCCSQVGLSA-N 1 2 385.490 -0.367 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000522009213 1073290323 /nfs/dbraw/zinc/29/03/23/1073290323.db2.gz ZDDRVTMEZBXIBM-TZMCWYRMSA-N 1 2 385.490 -0.367 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000522009213 1073290317 /nfs/dbraw/zinc/29/03/17/1073290317.db2.gz ZDDRVTMEZBXIBM-TZMCWYRMSA-N 1 2 385.490 -0.367 20 0 GBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCc1c[nH+]cn1C)CC2 ZINC000522041989 1072181276 /nfs/dbraw/zinc/18/12/76/1072181276.db2.gz HOEPNLGZZHGERK-UHFFFAOYSA-N 1 2 377.426 -0.466 20 0 GBADLO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)s1 ZINC000522067501 530463497 /nfs/dbraw/zinc/46/34/97/530463497.db2.gz APOIIPGOZGBOSN-LLVKDONJSA-N 1 2 375.520 -0.299 20 0 GBADLO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)s1 ZINC000522067501 530463496 /nfs/dbraw/zinc/46/34/96/530463496.db2.gz APOIIPGOZGBOSN-LLVKDONJSA-N 1 2 375.520 -0.299 20 0 GBADLO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)s1 ZINC000522067502 530463331 /nfs/dbraw/zinc/46/33/31/530463331.db2.gz APOIIPGOZGBOSN-NSHDSACASA-N 1 2 375.520 -0.299 20 0 GBADLO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)s1 ZINC000522067502 530463330 /nfs/dbraw/zinc/46/33/30/530463330.db2.gz APOIIPGOZGBOSN-NSHDSACASA-N 1 2 375.520 -0.299 20 0 GBADLO O=C(CCNC(=O)N1CCn2cnnc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000522075424 1073292753 /nfs/dbraw/zinc/29/27/53/1073292753.db2.gz GVVRTKZYZKBWEN-UHFFFAOYSA-N 1 2 384.444 -0.063 20 0 GBADLO COC[C@](C)(O)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522111051 1073294229 /nfs/dbraw/zinc/29/42/29/1073294229.db2.gz SWNRIVTUZGCDPO-GOSISDBHSA-N 1 2 379.461 -0.183 20 0 GBADLO COC[C@@](C)(O)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522111052 1073294655 /nfs/dbraw/zinc/29/46/55/1073294655.db2.gz SWNRIVTUZGCDPO-SFHVURJKSA-N 1 2 379.461 -0.183 20 0 GBADLO Cn1cc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000522117233 1073294609 /nfs/dbraw/zinc/29/46/09/1073294609.db2.gz SQJCAAOWEJCUIR-UHFFFAOYSA-N 1 2 378.458 -0.168 20 0 GBADLO O=C(Cc1nc2ncccn2n1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522130274 1073295151 /nfs/dbraw/zinc/29/51/51/1073295151.db2.gz PDSQFXNNDLSAJD-UHFFFAOYSA-N 1 2 394.439 -0.083 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1COCCO1 ZINC000522131027 1073295279 /nfs/dbraw/zinc/29/52/79/1073295279.db2.gz MDPXPNKSRLRKRS-HNNXBMFYSA-N 1 2 377.445 -0.165 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1COCCO1 ZINC000522131028 1073295071 /nfs/dbraw/zinc/29/50/71/1073295071.db2.gz MDPXPNKSRLRKRS-OAHLLOKOSA-N 1 2 377.445 -0.165 20 0 GBADLO CCS(=O)(=O)NC1CC[NH+]([C@H]2CC(=O)N(CCOCCOC)C2=O)CC1 ZINC000522137279 1073295203 /nfs/dbraw/zinc/29/52/03/1073295203.db2.gz ICQJXWMFZJYMQZ-AWEZNQCLSA-N 1 2 391.490 -0.819 20 0 GBADLO CCS(=O)(=O)NC1CC[NH+]([C@@H]2CC(=O)N(CCOCCOC)C2=O)CC1 ZINC000522137280 1073295128 /nfs/dbraw/zinc/29/51/28/1073295128.db2.gz ICQJXWMFZJYMQZ-CQSZACIVSA-N 1 2 391.490 -0.819 20 0 GBADLO O=C(CNC(=O)C1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000522154000 1073296017 /nfs/dbraw/zinc/29/60/17/1073296017.db2.gz AZJORHPTJLRLHJ-HNNXBMFYSA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(CNC(=O)C1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000522154000 1073296011 /nfs/dbraw/zinc/29/60/11/1073296011.db2.gz AZJORHPTJLRLHJ-HNNXBMFYSA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(CNC(=O)C1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000522154001 1073296002 /nfs/dbraw/zinc/29/60/02/1073296002.db2.gz AZJORHPTJLRLHJ-OAHLLOKOSA-N 1 2 388.472 -0.076 20 0 GBADLO O=C(CNC(=O)C1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000522154001 1073295997 /nfs/dbraw/zinc/29/59/97/1073295997.db2.gz AZJORHPTJLRLHJ-OAHLLOKOSA-N 1 2 388.472 -0.076 20 0 GBADLO CC1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)COC1 ZINC000522157789 1073295898 /nfs/dbraw/zinc/29/58/98/1073295898.db2.gz FONDKMBIHDVILF-UHFFFAOYSA-N 1 2 397.501 -0.131 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NC3CCSCC3)CC2)CC1 ZINC000522225670 530463427 /nfs/dbraw/zinc/46/34/27/530463427.db2.gz KJYHGRQKJQEEIH-UHFFFAOYSA-N 1 2 391.563 -0.299 20 0 GBADLO Cc1[nH]n(C)c2nnc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c1-2 ZINC000522264056 1073306879 /nfs/dbraw/zinc/30/68/79/1073306879.db2.gz KKXRQDWFKPKZBL-GFCCVEGCSA-N 1 2 375.433 -0.276 20 0 GBADLO Cc1[nH]n(C)c2nnc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c1-2 ZINC000522264057 1073307329 /nfs/dbraw/zinc/30/73/29/1073307329.db2.gz KKXRQDWFKPKZBL-LBPRGKRZSA-N 1 2 375.433 -0.276 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CCO1 ZINC000522267959 1073308023 /nfs/dbraw/zinc/30/80/23/1073308023.db2.gz GQHCXPGZAOMGOQ-LLVKDONJSA-N 1 2 398.441 -0.921 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CCO1 ZINC000522267959 1073308016 /nfs/dbraw/zinc/30/80/16/1073308016.db2.gz GQHCXPGZAOMGOQ-LLVKDONJSA-N 1 2 398.441 -0.921 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CCO1 ZINC000522267960 1073307731 /nfs/dbraw/zinc/30/77/31/1073307731.db2.gz GQHCXPGZAOMGOQ-NSHDSACASA-N 1 2 398.441 -0.921 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CCO1 ZINC000522267960 1073307727 /nfs/dbraw/zinc/30/77/27/1073307727.db2.gz GQHCXPGZAOMGOQ-NSHDSACASA-N 1 2 398.441 -0.921 20 0 GBADLO CCc1ncncc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000522272111 1073308665 /nfs/dbraw/zinc/30/86/65/1073308665.db2.gz LALBCMAYPZJPHS-UHFFFAOYSA-N 1 2 382.490 -0.711 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000522288704 1073309521 /nfs/dbraw/zinc/30/95/21/1073309521.db2.gz SLGMCLQVUWYTPB-AWEZNQCLSA-N 1 2 376.461 -0.267 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000522288704 1073309515 /nfs/dbraw/zinc/30/95/15/1073309515.db2.gz SLGMCLQVUWYTPB-AWEZNQCLSA-N 1 2 376.461 -0.267 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000522288705 1073309596 /nfs/dbraw/zinc/30/95/96/1073309596.db2.gz SLGMCLQVUWYTPB-CQSZACIVSA-N 1 2 376.461 -0.267 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000522288705 1073309591 /nfs/dbraw/zinc/30/95/91/1073309591.db2.gz SLGMCLQVUWYTPB-CQSZACIVSA-N 1 2 376.461 -0.267 20 0 GBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000522308525 1073310263 /nfs/dbraw/zinc/31/02/63/1073310263.db2.gz UAUCWFHWIAXEMW-DLBZAZTESA-N 1 2 397.520 -0.718 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000522308526 1073310396 /nfs/dbraw/zinc/31/03/96/1073310396.db2.gz UAUCWFHWIAXEMW-IAGOWNOFSA-N 1 2 397.520 -0.718 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000522308527 1073310099 /nfs/dbraw/zinc/31/00/99/1073310099.db2.gz UAUCWFHWIAXEMW-IRXDYDNUSA-N 1 2 397.520 -0.718 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000522308528 1073310077 /nfs/dbraw/zinc/31/00/77/1073310077.db2.gz UAUCWFHWIAXEMW-SJORKVTESA-N 1 2 397.520 -0.718 20 0 GBADLO Cn1cnc2c1c(=O)n(CC(=O)NCc1cccc(-n3cc[nH+]c3)c1)c(=O)n2C ZINC000522357744 1073315674 /nfs/dbraw/zinc/31/56/74/1073315674.db2.gz GDVLGUQZVLTPJA-UHFFFAOYSA-N 1 2 393.407 -0.064 20 0 GBADLO O=C(Cn1cnnn1)N1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000522480850 1073366981 /nfs/dbraw/zinc/36/69/81/1073366981.db2.gz NNVZFZINMOIAMO-UHFFFAOYSA-N 1 2 395.427 -0.087 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522734666 1073432758 /nfs/dbraw/zinc/43/27/58/1073432758.db2.gz PLHZUQFARRIMSP-CYBMUJFWSA-N 1 2 383.474 -0.826 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522734667 1073432721 /nfs/dbraw/zinc/43/27/21/1073432721.db2.gz PLHZUQFARRIMSP-ZDUSSCGKSA-N 1 2 383.474 -0.826 20 0 GBADLO CCNC(=O)[C@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522740516 1073432855 /nfs/dbraw/zinc/43/28/55/1073432855.db2.gz IBBKRYYFRIKZAZ-AWEZNQCLSA-N 1 2 376.461 -0.056 20 0 GBADLO CCNC(=O)[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522740517 1073432474 /nfs/dbraw/zinc/43/24/74/1073432474.db2.gz IBBKRYYFRIKZAZ-CQSZACIVSA-N 1 2 376.461 -0.056 20 0 GBADLO CCCNC(=O)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522740592 1073432433 /nfs/dbraw/zinc/43/24/33/1073432433.db2.gz RWNWZMQASUAXHE-UHFFFAOYSA-N 1 2 376.461 -0.054 20 0 GBADLO O=C(CCNC(=O)c1ccsc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855119 1073460024 /nfs/dbraw/zinc/46/00/24/1073460024.db2.gz QJNQSJLNGXXDIR-HNNXBMFYSA-N 1 2 394.497 -0.083 20 0 GBADLO O=C(CCNC(=O)c1ccsc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855120 1073460199 /nfs/dbraw/zinc/46/01/99/1073460199.db2.gz QJNQSJLNGXXDIR-OAHLLOKOSA-N 1 2 394.497 -0.083 20 0 GBADLO CSCCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000522910049 530464047 /nfs/dbraw/zinc/46/40/47/530464047.db2.gz ZQMGOEKFPSZSTR-UHFFFAOYSA-N 1 2 393.579 -0.051 20 0 GBADLO O=C(NCCn1cnnc1C1CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522915108 1073467286 /nfs/dbraw/zinc/46/72/86/1073467286.db2.gz UBCYCFUVVMLNOP-HNNXBMFYSA-N 1 2 376.461 -0.548 20 0 GBADLO O=C(NCCn1cnnc1C1CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522915109 1073467537 /nfs/dbraw/zinc/46/75/37/1073467537.db2.gz UBCYCFUVVMLNOP-OAHLLOKOSA-N 1 2 376.461 -0.548 20 0 GBADLO Cn1c2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2[nH]c1=O ZINC000522917956 1073468336 /nfs/dbraw/zinc/46/83/36/1073468336.db2.gz MBNXTSMDXSUTGE-AWEZNQCLSA-N 1 2 387.440 -0.058 20 0 GBADLO Cn1c2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2[nH]c1=O ZINC000522917957 1073468272 /nfs/dbraw/zinc/46/82/72/1073468272.db2.gz MBNXTSMDXSUTGE-CQSZACIVSA-N 1 2 387.440 -0.058 20 0 GBADLO O=C(Cc1cn2ccsc2n1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522919977 1073468528 /nfs/dbraw/zinc/46/85/28/1073468528.db2.gz UPVJHLGCHCXYIL-AWEZNQCLSA-N 1 2 377.470 -0.012 20 0 GBADLO O=C(Cc1cn2ccsc2n1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522919978 1073468629 /nfs/dbraw/zinc/46/86/29/1073468629.db2.gz UPVJHLGCHCXYIL-CQSZACIVSA-N 1 2 377.470 -0.012 20 0 GBADLO O=C(CNC(=O)CC1CCCC1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522920690 1073468539 /nfs/dbraw/zinc/46/85/39/1073468539.db2.gz RCUAEQGZUQONSR-INIZCTEOSA-N 1 2 380.489 -0.268 20 0 GBADLO O=C(CNC(=O)CC1CCCC1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522920691 1073468391 /nfs/dbraw/zinc/46/83/91/1073468391.db2.gz RCUAEQGZUQONSR-MRXNPFEDSA-N 1 2 380.489 -0.268 20 0 GBADLO Cc1nc(C)c(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)[nH]1 ZINC000522920793 1073468315 /nfs/dbraw/zinc/46/83/15/1073468315.db2.gz XIMMTGIMEFFERC-AWEZNQCLSA-N 1 2 377.445 -0.609 20 0 GBADLO Cc1nc(C)c(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)[nH]1 ZINC000522920794 1073468607 /nfs/dbraw/zinc/46/86/07/1073468607.db2.gz XIMMTGIMEFFERC-CQSZACIVSA-N 1 2 377.445 -0.609 20 0 GBADLO O=S(=O)(N1CC[NH+](CC2CCOCC2)CC1)N1CCS(=O)(=O)CC1 ZINC000522969601 530464126 /nfs/dbraw/zinc/46/41/26/530464126.db2.gz XMLFRRMTMQJHPC-UHFFFAOYSA-N 1 2 381.520 -0.994 20 0 GBADLO Cc1ncc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000523048789 1073506410 /nfs/dbraw/zinc/50/64/10/1073506410.db2.gz FPRIVOINZBFCOA-UHFFFAOYSA-N 1 2 381.400 -0.251 20 0 GBADLO Cn1c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000523053717 1073511403 /nfs/dbraw/zinc/51/14/03/1073511403.db2.gz RDFGJIFKVVHXII-UHFFFAOYSA-N 1 2 377.445 -0.584 20 0 GBADLO Cn1c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000523053717 1073511390 /nfs/dbraw/zinc/51/13/90/1073511390.db2.gz RDFGJIFKVVHXII-UHFFFAOYSA-N 1 2 377.445 -0.584 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000523058351 530464412 /nfs/dbraw/zinc/46/44/12/530464412.db2.gz GBHJRFGQFHTQGX-SECBINFHSA-N 1 2 375.223 -0.452 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000523058351 530464410 /nfs/dbraw/zinc/46/44/10/530464410.db2.gz GBHJRFGQFHTQGX-SECBINFHSA-N 1 2 375.223 -0.452 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000523058352 530464227 /nfs/dbraw/zinc/46/42/27/530464227.db2.gz GBHJRFGQFHTQGX-VIFPVBQESA-N 1 2 375.223 -0.452 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCO1 ZINC000523058352 530464225 /nfs/dbraw/zinc/46/42/25/530464225.db2.gz GBHJRFGQFHTQGX-VIFPVBQESA-N 1 2 375.223 -0.452 20 0 GBADLO COc1c(F)cc(CC(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1S(N)(=O)=O ZINC000523058486 1073512920 /nfs/dbraw/zinc/51/29/20/1073512920.db2.gz QLGWQWLHTPNEIR-LLVKDONJSA-N 1 2 389.449 -0.139 20 0 GBADLO COc1c(F)cc(CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1S(N)(=O)=O ZINC000523058486 1073512913 /nfs/dbraw/zinc/51/29/13/1073512913.db2.gz QLGWQWLHTPNEIR-LLVKDONJSA-N 1 2 389.449 -0.139 20 0 GBADLO COc1c(F)cc(CC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1S(N)(=O)=O ZINC000523058487 1073511080 /nfs/dbraw/zinc/51/10/80/1073511080.db2.gz QLGWQWLHTPNEIR-NSHDSACASA-N 1 2 389.449 -0.139 20 0 GBADLO COc1c(F)cc(CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1S(N)(=O)=O ZINC000523058487 1073511070 /nfs/dbraw/zinc/51/10/70/1073511070.db2.gz QLGWQWLHTPNEIR-NSHDSACASA-N 1 2 389.449 -0.139 20 0 GBADLO Cn1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000523118626 1073530146 /nfs/dbraw/zinc/53/01/46/1073530146.db2.gz VWUIFSSFGLRVDZ-UHFFFAOYSA-N 1 2 385.428 -0.391 20 0 GBADLO CN1CC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1=O ZINC000523132804 1073533429 /nfs/dbraw/zinc/53/34/29/1073533429.db2.gz SIKXRYYPKLHIQR-HNNXBMFYSA-N 1 2 388.472 -0.170 20 0 GBADLO CN1CC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1=O ZINC000523132804 1073533422 /nfs/dbraw/zinc/53/34/22/1073533422.db2.gz SIKXRYYPKLHIQR-HNNXBMFYSA-N 1 2 388.472 -0.170 20 0 GBADLO CN1CC[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1=O ZINC000523132805 1073533688 /nfs/dbraw/zinc/53/36/88/1073533688.db2.gz SIKXRYYPKLHIQR-OAHLLOKOSA-N 1 2 388.472 -0.170 20 0 GBADLO CN1CC[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1=O ZINC000523132805 1073533682 /nfs/dbraw/zinc/53/36/82/1073533682.db2.gz SIKXRYYPKLHIQR-OAHLLOKOSA-N 1 2 388.472 -0.170 20 0 GBADLO C[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)S(C)(=O)=O ZINC000523136610 1073531878 /nfs/dbraw/zinc/53/18/78/1073531878.db2.gz ZBRIWRGOLPETSL-CYBMUJFWSA-N 1 2 383.474 -0.605 20 0 GBADLO C[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)S(C)(=O)=O ZINC000523136610 1073531868 /nfs/dbraw/zinc/53/18/68/1073531868.db2.gz ZBRIWRGOLPETSL-CYBMUJFWSA-N 1 2 383.474 -0.605 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)S(C)(=O)=O ZINC000523136611 1073531906 /nfs/dbraw/zinc/53/19/06/1073531906.db2.gz ZBRIWRGOLPETSL-ZDUSSCGKSA-N 1 2 383.474 -0.605 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)S(C)(=O)=O ZINC000523136611 1073531897 /nfs/dbraw/zinc/53/18/97/1073531897.db2.gz ZBRIWRGOLPETSL-ZDUSSCGKSA-N 1 2 383.474 -0.605 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000523224017 1073539422 /nfs/dbraw/zinc/53/94/22/1073539422.db2.gz HOEWNDSHCUSDFA-CYBMUJFWSA-N 1 2 383.470 -0.168 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000523224018 1073539914 /nfs/dbraw/zinc/53/99/14/1073539914.db2.gz HOEWNDSHCUSDFA-ZDUSSCGKSA-N 1 2 383.470 -0.168 20 0 GBADLO CN1CC(=O)N(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000523315047 1073545837 /nfs/dbraw/zinc/54/58/37/1073545837.db2.gz FDQXADZANGLQKT-UHFFFAOYSA-N 1 2 388.428 -0.870 20 0 GBADLO O=C(CCN1C(=O)CCC1=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523315080 1073545392 /nfs/dbraw/zinc/54/53/92/1073545392.db2.gz LDHDGJFQVIVYGM-UHFFFAOYSA-N 1 2 387.440 -0.224 20 0 GBADLO CC(=O)NCCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523315365 1073545936 /nfs/dbraw/zinc/54/59/36/1073545936.db2.gz WAURNWGRBCGLNO-UHFFFAOYSA-N 1 2 376.461 -0.054 20 0 GBADLO CNC(=O)CCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523315686 1073547064 /nfs/dbraw/zinc/54/70/64/1073547064.db2.gz RZAOLIGWBKZEKW-UHFFFAOYSA-N 1 2 376.461 -0.054 20 0 GBADLO CC(C)NC(=O)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523315864 1073546319 /nfs/dbraw/zinc/54/63/19/1073546319.db2.gz QCRKBVDKPHFQCL-UHFFFAOYSA-N 1 2 376.461 -0.056 20 0 GBADLO CC(C)(CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(N)=O ZINC000523316635 1073547284 /nfs/dbraw/zinc/54/72/84/1073547284.db2.gz RCBOMYUZSIBWRW-UHFFFAOYSA-N 1 2 376.461 -0.069 20 0 GBADLO O=S(=O)(C[C@H]1CCOC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523389242 1073550231 /nfs/dbraw/zinc/55/02/31/1073550231.db2.gz JZGPIPNZTZFWKH-HNNXBMFYSA-N 1 2 397.501 -0.199 20 0 GBADLO O=S(=O)(C[C@H]1CCOC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523389242 1073550224 /nfs/dbraw/zinc/55/02/24/1073550224.db2.gz JZGPIPNZTZFWKH-HNNXBMFYSA-N 1 2 397.501 -0.199 20 0 GBADLO O=S(=O)(C[C@@H]1CCOC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523389243 1073550511 /nfs/dbraw/zinc/55/05/11/1073550511.db2.gz JZGPIPNZTZFWKH-OAHLLOKOSA-N 1 2 397.501 -0.199 20 0 GBADLO O=S(=O)(C[C@@H]1CCOC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523389243 1073550501 /nfs/dbraw/zinc/55/05/01/1073550501.db2.gz JZGPIPNZTZFWKH-OAHLLOKOSA-N 1 2 397.501 -0.199 20 0 GBADLO COC[C@H](C)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523390584 1073550391 /nfs/dbraw/zinc/55/03/91/1073550391.db2.gz RXUFVRHMTMJHMR-AWEZNQCLSA-N 1 2 385.490 -0.200 20 0 GBADLO COC[C@H](C)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523390584 1073550380 /nfs/dbraw/zinc/55/03/80/1073550380.db2.gz RXUFVRHMTMJHMR-AWEZNQCLSA-N 1 2 385.490 -0.200 20 0 GBADLO COC[C@@H](C)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523390585 1073550785 /nfs/dbraw/zinc/55/07/85/1073550785.db2.gz RXUFVRHMTMJHMR-CQSZACIVSA-N 1 2 385.490 -0.200 20 0 GBADLO COC[C@@H](C)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523390585 1073550776 /nfs/dbraw/zinc/55/07/76/1073550776.db2.gz RXUFVRHMTMJHMR-CQSZACIVSA-N 1 2 385.490 -0.200 20 0 GBADLO O=S(=O)(C[C@@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523390658 1073550299 /nfs/dbraw/zinc/55/02/99/1073550299.db2.gz WRPYBJQOYLUAJX-HNNXBMFYSA-N 1 2 397.501 -0.056 20 0 GBADLO O=S(=O)(C[C@@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523390658 1073550288 /nfs/dbraw/zinc/55/02/88/1073550288.db2.gz WRPYBJQOYLUAJX-HNNXBMFYSA-N 1 2 397.501 -0.056 20 0 GBADLO O=S(=O)(C[C@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523390659 1073550679 /nfs/dbraw/zinc/55/06/79/1073550679.db2.gz WRPYBJQOYLUAJX-OAHLLOKOSA-N 1 2 397.501 -0.056 20 0 GBADLO O=S(=O)(C[C@H]1CCCO1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523390659 1073550663 /nfs/dbraw/zinc/55/06/63/1073550663.db2.gz WRPYBJQOYLUAJX-OAHLLOKOSA-N 1 2 397.501 -0.056 20 0 GBADLO CCCC(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523394933 1073550359 /nfs/dbraw/zinc/55/03/59/1073550359.db2.gz WNWFQJLUXOMVJG-UHFFFAOYSA-N 1 2 376.461 -0.122 20 0 GBADLO CCCC(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523394933 1073550345 /nfs/dbraw/zinc/55/03/45/1073550345.db2.gz WNWFQJLUXOMVJG-UHFFFAOYSA-N 1 2 376.461 -0.122 20 0 GBADLO C[C@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C[NH+]1CCOCC1 ZINC000523417626 1073551434 /nfs/dbraw/zinc/55/14/34/1073551434.db2.gz KQRXBZMCXNUFND-LLVKDONJSA-N 1 2 397.457 -0.719 20 0 GBADLO C[C@@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C[NH+]1CCOCC1 ZINC000523417627 1073551505 /nfs/dbraw/zinc/55/15/05/1073551505.db2.gz KQRXBZMCXNUFND-NSHDSACASA-N 1 2 397.457 -0.719 20 0 GBADLO C[C@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000523418199 530464670 /nfs/dbraw/zinc/46/46/70/530464670.db2.gz GXNCECRZBRBNQG-GFCCVEGCSA-N 1 2 377.488 -0.419 20 0 GBADLO C[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000523418200 530464740 /nfs/dbraw/zinc/46/47/40/530464740.db2.gz GXNCECRZBRBNQG-LBPRGKRZSA-N 1 2 377.488 -0.419 20 0 GBADLO CNC(=O)CCN(C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523591941 1073555543 /nfs/dbraw/zinc/55/55/43/1073555543.db2.gz IHGVRRTXNXSKBD-UHFFFAOYSA-N 1 2 376.461 -0.102 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000523603265 1073556427 /nfs/dbraw/zinc/55/64/27/1073556427.db2.gz KOZVFKBKGVJEBJ-CABCVRRESA-N 1 2 392.522 -0.505 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000523603266 1073556331 /nfs/dbraw/zinc/55/63/31/1073556331.db2.gz KOZVFKBKGVJEBJ-GJZGRUSLSA-N 1 2 392.522 -0.505 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000523603267 1073556399 /nfs/dbraw/zinc/55/63/99/1073556399.db2.gz KOZVFKBKGVJEBJ-HUUCEWRRSA-N 1 2 392.522 -0.505 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000523603268 1073556930 /nfs/dbraw/zinc/55/69/30/1073556930.db2.gz KOZVFKBKGVJEBJ-LSDHHAIUSA-N 1 2 392.522 -0.505 20 0 GBADLO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000523605688 530464548 /nfs/dbraw/zinc/46/45/48/530464548.db2.gz LGXVIJVPZNFRHL-KBPBESRZSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000523605688 530464546 /nfs/dbraw/zinc/46/45/46/530464546.db2.gz LGXVIJVPZNFRHL-KBPBESRZSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000523605689 530464866 /nfs/dbraw/zinc/46/48/66/530464866.db2.gz LGXVIJVPZNFRHL-KGLIPLIRSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000523605689 530464864 /nfs/dbraw/zinc/46/48/64/530464864.db2.gz LGXVIJVPZNFRHL-KGLIPLIRSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000523605690 530464802 /nfs/dbraw/zinc/46/48/02/530464802.db2.gz LGXVIJVPZNFRHL-UONOGXRCSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000523605690 530464801 /nfs/dbraw/zinc/46/48/01/530464801.db2.gz LGXVIJVPZNFRHL-UONOGXRCSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000523605691 530464631 /nfs/dbraw/zinc/46/46/31/530464631.db2.gz LGXVIJVPZNFRHL-ZIAGYGMSSA-N 1 2 375.491 -0.894 20 0 GBADLO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000523605691 530464630 /nfs/dbraw/zinc/46/46/30/530464630.db2.gz LGXVIJVPZNFRHL-ZIAGYGMSSA-N 1 2 375.491 -0.894 20 0 GBADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000523605878 1073556837 /nfs/dbraw/zinc/55/68/37/1073556837.db2.gz ZWCSMSNDZDFQNS-DLBZAZTESA-N 1 2 382.505 -0.511 20 0 GBADLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000523605878 1073556827 /nfs/dbraw/zinc/55/68/27/1073556827.db2.gz ZWCSMSNDZDFQNS-DLBZAZTESA-N 1 2 382.505 -0.511 20 0 GBADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000523605879 1073556355 /nfs/dbraw/zinc/55/63/55/1073556355.db2.gz ZWCSMSNDZDFQNS-IAGOWNOFSA-N 1 2 382.505 -0.511 20 0 GBADLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000523605879 1073556349 /nfs/dbraw/zinc/55/63/49/1073556349.db2.gz ZWCSMSNDZDFQNS-IAGOWNOFSA-N 1 2 382.505 -0.511 20 0 GBADLO CC[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000523605880 1073556658 /nfs/dbraw/zinc/55/66/58/1073556658.db2.gz ZWCSMSNDZDFQNS-IRXDYDNUSA-N 1 2 382.505 -0.511 20 0 GBADLO CC[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000523605880 1073556643 /nfs/dbraw/zinc/55/66/43/1073556643.db2.gz ZWCSMSNDZDFQNS-IRXDYDNUSA-N 1 2 382.505 -0.511 20 0 GBADLO CC[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000523605881 1073557076 /nfs/dbraw/zinc/55/70/76/1073557076.db2.gz ZWCSMSNDZDFQNS-SJORKVTESA-N 1 2 382.505 -0.511 20 0 GBADLO CC[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000523605881 1073557067 /nfs/dbraw/zinc/55/70/67/1073557067.db2.gz ZWCSMSNDZDFQNS-SJORKVTESA-N 1 2 382.505 -0.511 20 0 GBADLO CN(C)C(=O)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523657134 1073559283 /nfs/dbraw/zinc/55/92/83/1073559283.db2.gz KHONCAADZQTLMS-UHFFFAOYSA-N 1 2 376.461 -0.102 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCN1CCOCC1 ZINC000523658026 1073559938 /nfs/dbraw/zinc/55/99/38/1073559938.db2.gz VYSBUYLCGOASGF-UHFFFAOYSA-N 1 2 390.488 -0.248 20 0 GBADLO O=C(CCNC(=O)NCCNC(=O)C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000523658629 1073559001 /nfs/dbraw/zinc/55/90/01/1073559001.db2.gz OBEOGHKABNPTNK-UHFFFAOYSA-N 1 2 388.472 -0.054 20 0 GBADLO Cn1c2ncn(CC(=O)NCc3cccc(-n4cc[nH+]c4)c3)c2c(=O)n(C)c1=O ZINC000523724758 1073563306 /nfs/dbraw/zinc/56/33/06/1073563306.db2.gz HTUWCYUZVSKKFQ-UHFFFAOYSA-N 1 2 393.407 -0.064 20 0 GBADLO C[C@@H]1CN(CCNC(=O)CCCC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000523777071 1073567313 /nfs/dbraw/zinc/56/73/13/1073567313.db2.gz JWYZTELFMMPETN-CALCHBBNSA-N 1 2 384.521 -0.170 20 0 GBADLO C[C@@H]1CN(CCNC(=O)CCCC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000523777071 1073567305 /nfs/dbraw/zinc/56/73/05/1073567305.db2.gz JWYZTELFMMPETN-CALCHBBNSA-N 1 2 384.521 -0.170 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)CCCC(=O)NCCN2CCO[C@@H](C)C2)CCO1 ZINC000523777071 1073567299 /nfs/dbraw/zinc/56/72/99/1073567299.db2.gz JWYZTELFMMPETN-CALCHBBNSA-N 1 2 384.521 -0.170 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)CCCC(=O)NCCN2CCO[C@@H](C)C2)CCO1 ZINC000523777071 1073567293 /nfs/dbraw/zinc/56/72/93/1073567293.db2.gz JWYZTELFMMPETN-CALCHBBNSA-N 1 2 384.521 -0.170 20 0 GBADLO C[C@@H]1CN(CCNC(=O)CCCC(=O)NCC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000523777072 1073567160 /nfs/dbraw/zinc/56/71/60/1073567160.db2.gz JWYZTELFMMPETN-IAGOWNOFSA-N 1 2 384.521 -0.170 20 0 GBADLO C[C@@H]1CN(CCNC(=O)CCCC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000523777072 1073567155 /nfs/dbraw/zinc/56/71/55/1073567155.db2.gz JWYZTELFMMPETN-IAGOWNOFSA-N 1 2 384.521 -0.170 20 0 GBADLO C[C@H]1CN(CCNC(=O)CCCC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000523777073 1073567204 /nfs/dbraw/zinc/56/72/04/1073567204.db2.gz JWYZTELFMMPETN-IRXDYDNUSA-N 1 2 384.521 -0.170 20 0 GBADLO C[C@H]1CN(CCNC(=O)CCCC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000523777073 1073567199 /nfs/dbraw/zinc/56/71/99/1073567199.db2.gz JWYZTELFMMPETN-IRXDYDNUSA-N 1 2 384.521 -0.170 20 0 GBADLO CCOC(=O)CCS(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523793306 1073568578 /nfs/dbraw/zinc/56/85/78/1073568578.db2.gz XQDXBIDOEGDQBL-UHFFFAOYSA-N 1 2 398.485 -0.007 20 0 GBADLO CCCCNC(=O)CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000523840095 530465059 /nfs/dbraw/zinc/46/50/59/530465059.db2.gz SROHDDZIDJRTLF-UHFFFAOYSA-N 1 2 375.539 -0.597 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCO1 ZINC000523935105 1073571434 /nfs/dbraw/zinc/57/14/34/1073571434.db2.gz IWFYHJNICYJFHN-UHFFFAOYSA-N 1 2 381.477 -0.770 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCO1 ZINC000523935105 1073571423 /nfs/dbraw/zinc/57/14/23/1073571423.db2.gz IWFYHJNICYJFHN-UHFFFAOYSA-N 1 2 381.477 -0.770 20 0 GBADLO Cc1nnc2n1C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000523950876 1073570979 /nfs/dbraw/zinc/57/09/79/1073570979.db2.gz JRZBHQLMQNSYTL-CVEARBPZSA-N 1 2 390.488 -0.554 20 0 GBADLO Cc1nnc2n1C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000523950879 1073571347 /nfs/dbraw/zinc/57/13/47/1073571347.db2.gz JRZBHQLMQNSYTL-HOTGVXAUSA-N 1 2 390.488 -0.554 20 0 GBADLO Cc1nnc2n1C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000523950880 1073571165 /nfs/dbraw/zinc/57/11/65/1073571165.db2.gz JRZBHQLMQNSYTL-HZPDHXFCSA-N 1 2 390.488 -0.554 20 0 GBADLO Cc1nnc2n1C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000523950881 1073570861 /nfs/dbraw/zinc/57/08/61/1073570861.db2.gz JRZBHQLMQNSYTL-JKSUJKDBSA-N 1 2 390.488 -0.554 20 0 GBADLO Cc1cccn2cc(CC(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)[nH+]c12 ZINC000524005764 1073572116 /nfs/dbraw/zinc/57/21/16/1073572116.db2.gz ZTSSBWUPBOQSIW-CYBMUJFWSA-N 1 2 378.454 -0.053 20 0 GBADLO Cc1cccn2cc(CC(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)[nH+]c12 ZINC000524005765 1073572029 /nfs/dbraw/zinc/57/20/29/1073572029.db2.gz ZTSSBWUPBOQSIW-ZDUSSCGKSA-N 1 2 378.454 -0.053 20 0 GBADLO O=C(CCNC(=O)c1cccs1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524041121 1073572766 /nfs/dbraw/zinc/57/27/66/1073572766.db2.gz MDDTULVBUUNZFZ-AWEZNQCLSA-N 1 2 394.497 -0.083 20 0 GBADLO O=C(CCNC(=O)c1cccs1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524041122 1073572799 /nfs/dbraw/zinc/57/27/99/1073572799.db2.gz MDDTULVBUUNZFZ-CQSZACIVSA-N 1 2 394.497 -0.083 20 0 GBADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000524081947 1073574443 /nfs/dbraw/zinc/57/44/43/1073574443.db2.gz HWOQVWNDGXKCPG-UHFFFAOYSA-N 1 2 383.470 -0.019 20 0 GBADLO C[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C[NH+]1CCOCC1 ZINC000524126438 530464905 /nfs/dbraw/zinc/46/49/05/530464905.db2.gz SJIKSVYCHLDXRS-GFCCVEGCSA-N 1 2 377.488 -0.419 20 0 GBADLO C[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C[NH+]1CCOCC1 ZINC000524126439 530465113 /nfs/dbraw/zinc/46/51/13/530465113.db2.gz SJIKSVYCHLDXRS-LBPRGKRZSA-N 1 2 377.488 -0.419 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(O)CCC1 ZINC000524142401 1073576326 /nfs/dbraw/zinc/57/63/26/1073576326.db2.gz NMOSMPJUBDECFB-UHFFFAOYSA-N 1 2 397.501 -0.252 20 0 GBADLO Cc1cccn2cc(CC(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)[nH+]c12 ZINC000524202738 1073577591 /nfs/dbraw/zinc/57/75/91/1073577591.db2.gz GKICNLSMRMLNLE-CYBMUJFWSA-N 1 2 378.454 -0.005 20 0 GBADLO Cc1cccn2cc(CC(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)[nH+]c12 ZINC000524202739 1073577254 /nfs/dbraw/zinc/57/72/54/1073577254.db2.gz GKICNLSMRMLNLE-ZDUSSCGKSA-N 1 2 378.454 -0.005 20 0 GBADLO O=C(NCC[NH+]1CCOCC1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000524271815 530465605 /nfs/dbraw/zinc/46/56/05/530465605.db2.gz OTGUTGJUUUPQRZ-AWEZNQCLSA-N 1 2 378.495 -0.894 20 0 GBADLO O=C(NCC[NH+]1CCOCC1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000524271816 530465269 /nfs/dbraw/zinc/46/52/69/530465269.db2.gz OTGUTGJUUUPQRZ-CQSZACIVSA-N 1 2 378.495 -0.894 20 0 GBADLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000524364135 1073580857 /nfs/dbraw/zinc/58/08/57/1073580857.db2.gz GVMLZHUNZKTXTD-UHFFFAOYSA-N 1 2 381.521 -0.591 20 0 GBADLO CC(C)C(=O)N1CCC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000524364135 1073580846 /nfs/dbraw/zinc/58/08/46/1073580846.db2.gz GVMLZHUNZKTXTD-UHFFFAOYSA-N 1 2 381.521 -0.591 20 0 GBADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000524365422 1073581901 /nfs/dbraw/zinc/58/19/01/1073581901.db2.gz DXMFJWFZVDITFI-UHFFFAOYSA-N 1 2 380.470 -0.134 20 0 GBADLO CNC(=O)CC[N@@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000524366546 530465614 /nfs/dbraw/zinc/46/56/14/530465614.db2.gz GINQWWPESAIQQJ-KBPBESRZSA-N 1 2 375.491 -0.751 20 0 GBADLO CNC(=O)CC[N@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000524366546 530465613 /nfs/dbraw/zinc/46/56/13/530465613.db2.gz GINQWWPESAIQQJ-KBPBESRZSA-N 1 2 375.491 -0.751 20 0 GBADLO CNC(=O)CC[N@@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000524366547 530465378 /nfs/dbraw/zinc/46/53/78/530465378.db2.gz GINQWWPESAIQQJ-KGLIPLIRSA-N 1 2 375.491 -0.751 20 0 GBADLO CNC(=O)CC[N@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000524366547 530465376 /nfs/dbraw/zinc/46/53/76/530465376.db2.gz GINQWWPESAIQQJ-KGLIPLIRSA-N 1 2 375.491 -0.751 20 0 GBADLO CNC(=O)CC[N@@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000524366548 530465513 /nfs/dbraw/zinc/46/55/13/530465513.db2.gz GINQWWPESAIQQJ-UONOGXRCSA-N 1 2 375.491 -0.751 20 0 GBADLO CNC(=O)CC[N@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000524366548 530465511 /nfs/dbraw/zinc/46/55/11/530465511.db2.gz GINQWWPESAIQQJ-UONOGXRCSA-N 1 2 375.491 -0.751 20 0 GBADLO CNC(=O)CC[N@@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000524366549 530465359 /nfs/dbraw/zinc/46/53/59/530465359.db2.gz GINQWWPESAIQQJ-ZIAGYGMSSA-N 1 2 375.491 -0.751 20 0 GBADLO CNC(=O)CC[N@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000524366549 530465357 /nfs/dbraw/zinc/46/53/57/530465357.db2.gz GINQWWPESAIQQJ-ZIAGYGMSSA-N 1 2 375.491 -0.751 20 0 GBADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC(n2cc[nH+]c2)C1 ZINC000524398499 1073583448 /nfs/dbraw/zinc/58/34/48/1073583448.db2.gz RYRFHNBHMBEVBS-UHFFFAOYSA-N 1 2 389.437 -0.299 20 0 GBADLO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cn1C ZINC000524420882 1073584496 /nfs/dbraw/zinc/58/44/96/1073584496.db2.gz BOKJNRNDTOVSHS-CYBMUJFWSA-N 1 2 386.522 -0.851 20 0 GBADLO Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cn1C ZINC000524420883 1073584646 /nfs/dbraw/zinc/58/46/46/1073584646.db2.gz BOKJNRNDTOVSHS-ZDUSSCGKSA-N 1 2 386.522 -0.851 20 0 GBADLO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000524443844 1073585103 /nfs/dbraw/zinc/58/51/03/1073585103.db2.gz YXUODSSIRUPDAL-KRWDZBQOSA-N 1 2 376.457 -0.020 20 0 GBADLO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000524443845 1073585338 /nfs/dbraw/zinc/58/53/38/1073585338.db2.gz YXUODSSIRUPDAL-QGZVFWFLSA-N 1 2 376.457 -0.020 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000524503709 1073587345 /nfs/dbraw/zinc/58/73/45/1073587345.db2.gz IDAQRMYWBUPRHU-UHFFFAOYSA-N 1 2 387.488 -0.138 20 0 GBADLO Cn1c(C(=O)NCC[N@H+]2CCOCC2(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000524513778 1073588203 /nfs/dbraw/zinc/58/82/03/1073588203.db2.gz LORRQTYBRYYYTM-UHFFFAOYSA-N 1 2 377.445 -0.584 20 0 GBADLO Cn1c(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000524513778 1073588188 /nfs/dbraw/zinc/58/81/88/1073588188.db2.gz LORRQTYBRYYYTM-UHFFFAOYSA-N 1 2 377.445 -0.584 20 0 GBADLO CCC[C@H](O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524515902 1073587715 /nfs/dbraw/zinc/58/77/15/1073587715.db2.gz HDTJXMQDVZOOPC-HNNXBMFYSA-N 1 2 399.517 -0.006 20 0 GBADLO CCC[C@@H](O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524515903 1073588306 /nfs/dbraw/zinc/58/83/06/1073588306.db2.gz HDTJXMQDVZOOPC-OAHLLOKOSA-N 1 2 399.517 -0.006 20 0 GBADLO C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000524527005 1073587936 /nfs/dbraw/zinc/58/79/36/1073587936.db2.gz OFSALPHSDZWORZ-CYBMUJFWSA-N 1 2 386.456 -0.086 20 0 GBADLO C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000524527006 1073588364 /nfs/dbraw/zinc/58/83/64/1073588364.db2.gz OFSALPHSDZWORZ-ZDUSSCGKSA-N 1 2 386.456 -0.086 20 0 GBADLO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524566838 1073589450 /nfs/dbraw/zinc/58/94/50/1073589450.db2.gz CRDGRRMKGISYNQ-GDBMZVCRSA-N 1 2 380.489 -0.269 20 0 GBADLO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524566840 1073588807 /nfs/dbraw/zinc/58/88/07/1073588807.db2.gz CRDGRRMKGISYNQ-GOEBONIOSA-N 1 2 380.489 -0.269 20 0 GBADLO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524566842 1073589111 /nfs/dbraw/zinc/58/91/11/1073589111.db2.gz CRDGRRMKGISYNQ-HOCLYGCPSA-N 1 2 380.489 -0.269 20 0 GBADLO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524566845 1073589086 /nfs/dbraw/zinc/58/90/86/1073589086.db2.gz CRDGRRMKGISYNQ-ZBFHGGJFSA-N 1 2 380.489 -0.269 20 0 GBADLO CC(C)CN1C[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000524571286 1073591146 /nfs/dbraw/zinc/59/11/46/1073591146.db2.gz UAUSOZHBQPIANN-CVEARBPZSA-N 1 2 380.489 -0.460 20 0 GBADLO CC(C)CN1C[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000524571287 1073591059 /nfs/dbraw/zinc/59/10/59/1073591059.db2.gz UAUSOZHBQPIANN-HOTGVXAUSA-N 1 2 380.489 -0.460 20 0 GBADLO CC(C)CN1C[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000524571288 1073591539 /nfs/dbraw/zinc/59/15/39/1073591539.db2.gz UAUSOZHBQPIANN-HZPDHXFCSA-N 1 2 380.489 -0.460 20 0 GBADLO CC(C)CN1C[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000524571289 1073590821 /nfs/dbraw/zinc/59/08/21/1073590821.db2.gz UAUSOZHBQPIANN-JKSUJKDBSA-N 1 2 380.489 -0.460 20 0 GBADLO Cc1cc(NC(=O)CN2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)no1 ZINC000524667640 1073594076 /nfs/dbraw/zinc/59/40/76/1073594076.db2.gz LRBUQDGEIVMGHU-CQSZACIVSA-N 1 2 394.476 -0.031 20 0 GBADLO Cc1cc(NC(=O)CN2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)no1 ZINC000524667640 1073594074 /nfs/dbraw/zinc/59/40/74/1073594074.db2.gz LRBUQDGEIVMGHU-CQSZACIVSA-N 1 2 394.476 -0.031 20 0 GBADLO NC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000524709164 1073595680 /nfs/dbraw/zinc/59/56/80/1073595680.db2.gz QUALOHHAYNYJEJ-LLVKDONJSA-N 1 2 381.458 -0.710 20 0 GBADLO NC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000524709165 1073595769 /nfs/dbraw/zinc/59/57/69/1073595769.db2.gz QUALOHHAYNYJEJ-NSHDSACASA-N 1 2 381.458 -0.710 20 0 GBADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000524791960 1073600154 /nfs/dbraw/zinc/60/01/54/1073600154.db2.gz LCBWLUXPKKEWBJ-KBPBESRZSA-N 1 2 376.461 -0.985 20 0 GBADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000524791961 1073599757 /nfs/dbraw/zinc/59/97/57/1073599757.db2.gz LCBWLUXPKKEWBJ-KGLIPLIRSA-N 1 2 376.461 -0.985 20 0 GBADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000524791962 1073600117 /nfs/dbraw/zinc/60/01/17/1073600117.db2.gz LCBWLUXPKKEWBJ-UONOGXRCSA-N 1 2 376.461 -0.985 20 0 GBADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000524791963 1073599889 /nfs/dbraw/zinc/59/98/89/1073599889.db2.gz LCBWLUXPKKEWBJ-ZIAGYGMSSA-N 1 2 376.461 -0.985 20 0 GBADLO C[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000524824701 1073602545 /nfs/dbraw/zinc/60/25/45/1073602545.db2.gz FFXCLEXYXXDJRM-AWEZNQCLSA-N 1 2 389.460 -0.325 20 0 GBADLO C[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000524824702 1073602676 /nfs/dbraw/zinc/60/26/76/1073602676.db2.gz FFXCLEXYXXDJRM-CQSZACIVSA-N 1 2 389.460 -0.325 20 0 GBADLO Cn1nc(CC(=O)N2CC[NH+](CCn3cncn3)CC2)c2ccccc2c1=O ZINC000524824712 1073603624 /nfs/dbraw/zinc/60/36/24/1073603624.db2.gz GDEUUAQNXXDRMU-UHFFFAOYSA-N 1 2 381.440 -0.088 20 0 GBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000524875012 1073604294 /nfs/dbraw/zinc/60/42/94/1073604294.db2.gz JVYYKQBVGUTKHZ-AWEZNQCLSA-N 1 2 396.513 -0.080 20 0 GBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000524875013 1073604346 /nfs/dbraw/zinc/60/43/46/1073604346.db2.gz JVYYKQBVGUTKHZ-CQSZACIVSA-N 1 2 396.513 -0.080 20 0 GBADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000524907272 530466360 /nfs/dbraw/zinc/46/63/60/530466360.db2.gz OVYQFHUXMDKJGX-HOTGVXAUSA-N 1 2 376.523 -0.710 20 0 GBADLO C[C@H]1CN(S(=O)(=O)N2CCN(CC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000524907272 530466359 /nfs/dbraw/zinc/46/63/59/530466359.db2.gz OVYQFHUXMDKJGX-HOTGVXAUSA-N 1 2 376.523 -0.710 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000524907273 530466095 /nfs/dbraw/zinc/46/60/95/530466095.db2.gz OVYQFHUXMDKJGX-HZPDHXFCSA-N 1 2 376.523 -0.710 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(CC[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000524907273 530466092 /nfs/dbraw/zinc/46/60/92/530466092.db2.gz OVYQFHUXMDKJGX-HZPDHXFCSA-N 1 2 376.523 -0.710 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000524907274 530466384 /nfs/dbraw/zinc/46/63/84/530466384.db2.gz OVYQFHUXMDKJGX-IYBDPMFKSA-N 1 2 376.523 -0.710 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(CC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000524907274 530466383 /nfs/dbraw/zinc/46/63/83/530466383.db2.gz OVYQFHUXMDKJGX-IYBDPMFKSA-N 1 2 376.523 -0.710 20 0 GBADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCOC[C@@H]3CCCO3)CC2)CC1 ZINC000524999726 530466139 /nfs/dbraw/zinc/46/61/39/530466139.db2.gz PSGGWQFSEXDDPK-INIZCTEOSA-N 1 2 376.523 -0.708 20 0 GBADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCOC[C@H]3CCCO3)CC2)CC1 ZINC000524999729 530466372 /nfs/dbraw/zinc/46/63/72/530466372.db2.gz PSGGWQFSEXDDPK-MRXNPFEDSA-N 1 2 376.523 -0.708 20 0 GBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cn1 ZINC000525008423 1073609247 /nfs/dbraw/zinc/60/92/47/1073609247.db2.gz FCRNJPQVUSWNAA-UHFFFAOYSA-N 1 2 394.457 -0.539 20 0 GBADLO Cc1c(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nnn1C ZINC000525042921 1073608911 /nfs/dbraw/zinc/60/89/11/1073608911.db2.gz UNBARLUYSLQYJK-UHFFFAOYSA-N 1 2 393.473 -0.600 20 0 GBADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000525119501 530466115 /nfs/dbraw/zinc/46/61/15/530466115.db2.gz KNURUAFIRMYNLS-UHFFFAOYSA-N 1 2 376.504 -0.605 20 0 GBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000525179327 1073615020 /nfs/dbraw/zinc/61/50/20/1073615020.db2.gz CTFWQTUFRGWUDN-UHFFFAOYSA-N 1 2 393.425 -0.599 20 0 GBADLO COC(=O)CN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000525216714 1073615696 /nfs/dbraw/zinc/61/56/96/1073615696.db2.gz NEVFWWAPKKENQZ-HNNXBMFYSA-N 1 2 397.472 -0.652 20 0 GBADLO COC(=O)CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000525216715 1073615505 /nfs/dbraw/zinc/61/55/05/1073615505.db2.gz NEVFWWAPKKENQZ-OAHLLOKOSA-N 1 2 397.472 -0.652 20 0 GBADLO O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525249626 1073616457 /nfs/dbraw/zinc/61/64/57/1073616457.db2.gz AKFFXNHVMXBGQZ-AWEZNQCLSA-N 1 2 399.451 -0.073 20 0 GBADLO O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525249627 1073616657 /nfs/dbraw/zinc/61/66/57/1073616657.db2.gz AKFFXNHVMXBGQZ-CQSZACIVSA-N 1 2 399.451 -0.073 20 0 GBADLO COC[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000525252378 1073617568 /nfs/dbraw/zinc/61/75/68/1073617568.db2.gz YEXUBXINCUCDKG-HNNXBMFYSA-N 1 2 391.538 -0.523 20 0 GBADLO COC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000525252379 1073617780 /nfs/dbraw/zinc/61/77/80/1073617780.db2.gz YEXUBXINCUCDKG-OAHLLOKOSA-N 1 2 391.538 -0.523 20 0 GBADLO Cn1ccnc(N2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)c1=O ZINC000525293464 1073620593 /nfs/dbraw/zinc/62/05/93/1073620593.db2.gz FRNQVJBEQPLOPI-UHFFFAOYSA-N 1 2 378.477 -0.277 20 0 GBADLO COCCNC(=O)CN1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000525293690 1073620497 /nfs/dbraw/zinc/62/04/97/1073620497.db2.gz PQTMVVQLTSXHKL-UHFFFAOYSA-N 1 2 385.509 -0.813 20 0 GBADLO COC[C@H](CCO)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000525321148 1073623714 /nfs/dbraw/zinc/62/37/14/1073623714.db2.gz RUAURZYMCZDUMT-HNNXBMFYSA-N 1 2 379.461 -0.183 20 0 GBADLO COC[C@@H](CCO)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000525321149 1073623499 /nfs/dbraw/zinc/62/34/99/1073623499.db2.gz RUAURZYMCZDUMT-OAHLLOKOSA-N 1 2 379.461 -0.183 20 0 GBADLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000525328512 1073621970 /nfs/dbraw/zinc/62/19/70/1073621970.db2.gz COQUVVGPKRWTFX-HZSPNIEDSA-N 1 2 389.522 -0.104 20 0 GBADLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000525328512 1073621963 /nfs/dbraw/zinc/62/19/63/1073621963.db2.gz COQUVVGPKRWTFX-HZSPNIEDSA-N 1 2 389.522 -0.104 20 0 GBADLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000525328514 1073621808 /nfs/dbraw/zinc/62/18/08/1073621808.db2.gz COQUVVGPKRWTFX-MCIONIFRSA-N 1 2 389.522 -0.104 20 0 GBADLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000525328514 1073621803 /nfs/dbraw/zinc/62/18/03/1073621803.db2.gz COQUVVGPKRWTFX-MCIONIFRSA-N 1 2 389.522 -0.104 20 0 GBADLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000525328515 1073622827 /nfs/dbraw/zinc/62/28/27/1073622827.db2.gz COQUVVGPKRWTFX-MGPQQGTHSA-N 1 2 389.522 -0.104 20 0 GBADLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000525328515 1073622821 /nfs/dbraw/zinc/62/28/21/1073622821.db2.gz COQUVVGPKRWTFX-MGPQQGTHSA-N 1 2 389.522 -0.104 20 0 GBADLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000525328516 1073622900 /nfs/dbraw/zinc/62/29/00/1073622900.db2.gz COQUVVGPKRWTFX-RDBSUJKOSA-N 1 2 389.522 -0.104 20 0 GBADLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000525328516 1073622898 /nfs/dbraw/zinc/62/28/98/1073622898.db2.gz COQUVVGPKRWTFX-RDBSUJKOSA-N 1 2 389.522 -0.104 20 0 GBADLO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CC[NH+](CCn2cncn2)CC1 ZINC000525340849 1073625667 /nfs/dbraw/zinc/62/56/67/1073625667.db2.gz KTLPLDAYFMMVJJ-UHFFFAOYSA-N 1 2 397.439 -0.072 20 0 GBADLO NS(=O)(=O)c1ccc(CC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000525341079 1073625832 /nfs/dbraw/zinc/62/58/32/1073625832.db2.gz VXLJMPCUTJFVDO-UHFFFAOYSA-N 1 2 378.458 -0.688 20 0 GBADLO O=C(CNS(=O)(=O)c1cccs1)N1CC[NH+](CCn2cncn2)CC1 ZINC000525342107 530466622 /nfs/dbraw/zinc/46/66/22/530466622.db2.gz WBWUGYOOUBELAQ-UHFFFAOYSA-N 1 2 384.487 -0.538 20 0 GBADLO CN(CC(=O)N1CC[NH+](CCn2cncn2)CC1)S(=O)(=O)c1ccccc1 ZINC000525342109 1073625751 /nfs/dbraw/zinc/62/57/51/1073625751.db2.gz WECSYUWSXNGGIQ-UHFFFAOYSA-N 1 2 392.485 -0.257 20 0 GBADLO CCn1c2ccc(C(=O)N3CC[NH+](CCn4cncn4)CC3)cc2[nH]c(=O)c1=O ZINC000525348602 1073623855 /nfs/dbraw/zinc/62/38/55/1073623855.db2.gz CZCFQVIITYLCLY-UHFFFAOYSA-N 1 2 397.439 -0.241 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000525349071 1073623846 /nfs/dbraw/zinc/62/38/46/1073623846.db2.gz NMSOAULWJOTZQS-UHFFFAOYSA-N 1 2 392.485 -0.014 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000525349280 1073623975 /nfs/dbraw/zinc/62/39/75/1073623975.db2.gz VBSRYCFTGIVGFW-UHFFFAOYSA-N 1 2 378.458 -0.356 20 0 GBADLO O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CC[NH+](CCn2cncn2)CC1 ZINC000525377009 1073626698 /nfs/dbraw/zinc/62/66/98/1073626698.db2.gz FFSWIVMFLIUHSP-UHFFFAOYSA-N 1 2 386.412 -0.419 20 0 GBADLO O=C(CNC(=O)c1c[nH]c(=O)c(Br)c1)NCC[NH+]1CCOCC1 ZINC000525682066 530112456 /nfs/dbraw/zinc/11/24/56/530112456.db2.gz BOIRMGKAICANEX-UHFFFAOYSA-N 1 2 387.234 -0.272 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000525693025 1073637938 /nfs/dbraw/zinc/63/79/38/1073637938.db2.gz XGGNFEXGVHIZIC-UHFFFAOYSA-N 1 2 397.501 -0.436 20 0 GBADLO O=C(CNC(=O)c1ccc(O)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525762325 1073639746 /nfs/dbraw/zinc/63/97/46/1073639746.db2.gz RIOSDRFNLUOEEQ-HNNXBMFYSA-N 1 2 390.440 -0.829 20 0 GBADLO O=C(CNC(=O)c1ccc(O)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000525762326 1073639417 /nfs/dbraw/zinc/63/94/17/1073639417.db2.gz RIOSDRFNLUOEEQ-OAHLLOKOSA-N 1 2 390.440 -0.829 20 0 GBADLO Cc1nc(C)c(CCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)[nH]1 ZINC000525762585 1073638455 /nfs/dbraw/zinc/63/84/55/1073638455.db2.gz SRGHCBGPMHFMFR-HNNXBMFYSA-N 1 2 391.472 -0.219 20 0 GBADLO Cc1nc(C)c(CCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)[nH]1 ZINC000525762586 1073639609 /nfs/dbraw/zinc/63/96/09/1073639609.db2.gz SRGHCBGPMHFMFR-OAHLLOKOSA-N 1 2 391.472 -0.219 20 0 GBADLO Cn1c2c(ccn2CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000525801585 1073641349 /nfs/dbraw/zinc/64/13/49/1073641349.db2.gz VOZKASXFIDXYNV-AWEZNQCLSA-N 1 2 389.456 -0.638 20 0 GBADLO Cn1c2c(ccn2CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000525801586 1073641092 /nfs/dbraw/zinc/64/10/92/1073641092.db2.gz VOZKASXFIDXYNV-CQSZACIVSA-N 1 2 389.456 -0.638 20 0 GBADLO Cn1c2c(ccn2CC(=O)NCCc2cn3c([nH+]2)CCCC3)c(=O)n(C)c1=O ZINC000525802731 1073641709 /nfs/dbraw/zinc/64/17/09/1073641709.db2.gz BDBSPZCQXAEOJM-UHFFFAOYSA-N 1 2 384.440 -0.070 20 0 GBADLO C[C@@H](NC(=O)N1CCN(c2nccn(C)c2=O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000525810367 1073643479 /nfs/dbraw/zinc/64/34/79/1073643479.db2.gz ZUSSMZVEYIMGRO-CABCVRRESA-N 1 2 378.477 -0.279 20 0 GBADLO C[C@H](NC(=O)N1CCN(c2nccn(C)c2=O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000525810368 1073643688 /nfs/dbraw/zinc/64/36/88/1073643688.db2.gz ZUSSMZVEYIMGRO-GJZGRUSLSA-N 1 2 378.477 -0.279 20 0 GBADLO C[C@@H](NC(=O)N1CCN(c2nccn(C)c2=O)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000525810369 1073643313 /nfs/dbraw/zinc/64/33/13/1073643313.db2.gz ZUSSMZVEYIMGRO-HUUCEWRRSA-N 1 2 378.477 -0.279 20 0 GBADLO C[C@H]([C@H](C)NC(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCOCC1 ZINC000525810370 1073643599 /nfs/dbraw/zinc/64/35/99/1073643599.db2.gz ZUSSMZVEYIMGRO-LSDHHAIUSA-N 1 2 378.477 -0.279 20 0 GBADLO Cn1ccnc(N2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)c1=O ZINC000525811952 1073643547 /nfs/dbraw/zinc/64/35/47/1073643547.db2.gz LRPGRPSKCKOEGF-UHFFFAOYSA-N 1 2 378.477 -0.277 20 0 GBADLO Cn1ccnc(N2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)c1=O ZINC000525811952 1073643540 /nfs/dbraw/zinc/64/35/40/1073643540.db2.gz LRPGRPSKCKOEGF-UHFFFAOYSA-N 1 2 378.477 -0.277 20 0 GBADLO Cn1ccnc(N2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC2)c1=O ZINC000525814911 1073642502 /nfs/dbraw/zinc/64/25/02/1073642502.db2.gz DOPHFXFQHCDIEH-UHFFFAOYSA-N 1 2 378.477 -0.277 20 0 GBADLO Cn1ccnc(N2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)c1=O ZINC000525814911 1073642497 /nfs/dbraw/zinc/64/24/97/1073642497.db2.gz DOPHFXFQHCDIEH-UHFFFAOYSA-N 1 2 378.477 -0.277 20 0 GBADLO NC(=O)c1c[nH+]ccc1NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000525834630 530199097 /nfs/dbraw/zinc/19/90/97/530199097.db2.gz VJNGUASQEIBIDZ-UHFFFAOYSA-N 1 2 381.380 -0.125 20 0 GBADLO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000525882887 1073645653 /nfs/dbraw/zinc/64/56/53/1073645653.db2.gz VTLFDHDSPIZQFZ-UHFFFAOYSA-N 1 2 384.502 -0.020 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@@]3(C)CO)ccn2)CC1 ZINC000525899783 1073648602 /nfs/dbraw/zinc/64/86/02/1073648602.db2.gz XCJLHGVFDJTHJN-IBGZPJMESA-N 1 2 389.456 -0.219 20 0 GBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCC[C@]3(C)CO)ccn2)CC1 ZINC000525899784 1073648469 /nfs/dbraw/zinc/64/84/69/1073648469.db2.gz XCJLHGVFDJTHJN-LJQANCHMSA-N 1 2 389.456 -0.219 20 0 GBADLO Cc1nc2cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)ccc2n1C ZINC000525901817 1073648192 /nfs/dbraw/zinc/64/81/92/1073648192.db2.gz LNEOQUJIFNDVJM-HNNXBMFYSA-N 1 2 389.456 -0.028 20 0 GBADLO Cc1nc2cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)ccc2n1C ZINC000525901818 1073648375 /nfs/dbraw/zinc/64/83/75/1073648375.db2.gz LNEOQUJIFNDVJM-OAHLLOKOSA-N 1 2 389.456 -0.028 20 0 GBADLO C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000525965801 1073649770 /nfs/dbraw/zinc/64/97/70/1073649770.db2.gz PKXFNGUIPUTVJF-BBRMVZONSA-N 1 2 388.390 -0.266 20 0 GBADLO C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000525965802 1073649667 /nfs/dbraw/zinc/64/96/67/1073649667.db2.gz PKXFNGUIPUTVJF-CJNGLKHVSA-N 1 2 388.390 -0.266 20 0 GBADLO C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000525965803 1073649745 /nfs/dbraw/zinc/64/97/45/1073649745.db2.gz PKXFNGUIPUTVJF-CZUORRHYSA-N 1 2 388.390 -0.266 20 0 GBADLO C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000525965804 1073650335 /nfs/dbraw/zinc/65/03/35/1073650335.db2.gz PKXFNGUIPUTVJF-XJKSGUPXSA-N 1 2 388.390 -0.266 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000525975939 1073649631 /nfs/dbraw/zinc/64/96/31/1073649631.db2.gz NCPULHIVOPVCBL-FOLVSLTJSA-N 1 2 395.485 -0.523 20 0 GBADLO CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000526023433 1073652383 /nfs/dbraw/zinc/65/23/83/1073652383.db2.gz YSOPHCAKCLTMMV-DLBZAZTESA-N 1 2 380.489 -0.458 20 0 GBADLO CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000526023434 1073652064 /nfs/dbraw/zinc/65/20/64/1073652064.db2.gz YSOPHCAKCLTMMV-IAGOWNOFSA-N 1 2 380.489 -0.458 20 0 GBADLO CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000526023435 1073651926 /nfs/dbraw/zinc/65/19/26/1073651926.db2.gz YSOPHCAKCLTMMV-IRXDYDNUSA-N 1 2 380.489 -0.458 20 0 GBADLO CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000526023436 1073652255 /nfs/dbraw/zinc/65/22/55/1073652255.db2.gz YSOPHCAKCLTMMV-SJORKVTESA-N 1 2 380.489 -0.458 20 0 GBADLO CN(C)C(=O)CNC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000526080829 1073654966 /nfs/dbraw/zinc/65/49/66/1073654966.db2.gz VHWVNOGMOCSSTH-UHFFFAOYSA-N 1 2 389.456 -0.590 20 0 GBADLO O=C(NCC[NH+]1CCC1)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000526105389 530291403 /nfs/dbraw/zinc/29/14/03/530291403.db2.gz KGUNODARRYMJJD-UHFFFAOYSA-N 1 2 387.428 -0.148 20 0 GBADLO Cc1[nH+]ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1Br ZINC000526119997 530296897 /nfs/dbraw/zinc/29/68/97/530296897.db2.gz QMDVRQAQSDBPOH-UHFFFAOYSA-N 1 2 389.231 -0.227 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000526144836 530297449 /nfs/dbraw/zinc/29/74/49/530297449.db2.gz JVUVVZFJYQZBFE-CYBMUJFWSA-N 1 2 389.547 -0.115 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000526144837 530297391 /nfs/dbraw/zinc/29/73/91/530297391.db2.gz JVUVVZFJYQZBFE-ZDUSSCGKSA-N 1 2 389.547 -0.115 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000526317009 530297483 /nfs/dbraw/zinc/29/74/83/530297483.db2.gz OHZBAPTXEXCUDS-NEPJUHHUSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000526317009 530297481 /nfs/dbraw/zinc/29/74/81/530297481.db2.gz OHZBAPTXEXCUDS-NEPJUHHUSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000526317010 530297760 /nfs/dbraw/zinc/29/77/60/530297760.db2.gz OHZBAPTXEXCUDS-NWDGAFQWSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000526317010 530297758 /nfs/dbraw/zinc/29/77/58/530297758.db2.gz OHZBAPTXEXCUDS-NWDGAFQWSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000526317011 530297512 /nfs/dbraw/zinc/29/75/12/530297512.db2.gz OHZBAPTXEXCUDS-RYUDHWBXSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000526317011 530297511 /nfs/dbraw/zinc/29/75/11/530297511.db2.gz OHZBAPTXEXCUDS-RYUDHWBXSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000526317012 530297489 /nfs/dbraw/zinc/29/74/89/530297489.db2.gz OHZBAPTXEXCUDS-VXGBXAGGSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000526317012 530297488 /nfs/dbraw/zinc/29/74/88/530297488.db2.gz OHZBAPTXEXCUDS-VXGBXAGGSA-N 1 2 377.488 -0.590 20 0 GBADLO COC(=O)c1cc(F)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000526595568 1073659902 /nfs/dbraw/zinc/65/99/02/1073659902.db2.gz DAHVMDGLILTXCT-CYBMUJFWSA-N 1 2 397.403 -0.298 20 0 GBADLO COC(=O)c1cc(F)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000526595569 1073659959 /nfs/dbraw/zinc/65/99/59/1073659959.db2.gz DAHVMDGLILTXCT-ZDUSSCGKSA-N 1 2 397.403 -0.298 20 0 GBADLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCO1 ZINC000526930602 1073662242 /nfs/dbraw/zinc/66/22/42/1073662242.db2.gz UXBJBIOTKNQIEV-BHYGNILZSA-N 1 2 379.461 -0.455 20 0 GBADLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCO1 ZINC000526930602 1073662234 /nfs/dbraw/zinc/66/22/34/1073662234.db2.gz UXBJBIOTKNQIEV-BHYGNILZSA-N 1 2 379.461 -0.455 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCO1 ZINC000526930604 1073662279 /nfs/dbraw/zinc/66/22/79/1073662279.db2.gz UXBJBIOTKNQIEV-HYVNUMGLSA-N 1 2 379.461 -0.455 20 0 GBADLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCO1 ZINC000526930604 1073662270 /nfs/dbraw/zinc/66/22/70/1073662270.db2.gz UXBJBIOTKNQIEV-HYVNUMGLSA-N 1 2 379.461 -0.455 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1=CCOCC1 ZINC000526983968 1073665020 /nfs/dbraw/zinc/66/50/20/1073665020.db2.gz MCZXJRZTFNUJOU-UHFFFAOYSA-N 1 2 380.470 -0.004 20 0 GBADLO O=C(CCn1ccnn1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000527044872 1073669603 /nfs/dbraw/zinc/66/96/03/1073669603.db2.gz ZSHPTUYXHNULIK-UHFFFAOYSA-N 1 2 393.473 -0.669 20 0 GBADLO Cc1cccn2cc(CC(=O)N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)[nH+]c12 ZINC000527047233 1073671403 /nfs/dbraw/zinc/67/14/03/1073671403.db2.gz XBPKOBXLCJLFOC-UHFFFAOYSA-N 1 2 397.439 -0.326 20 0 GBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC000527064100 1073671352 /nfs/dbraw/zinc/67/13/52/1073671352.db2.gz UBQVUFMTDMAPKO-UHFFFAOYSA-N 1 2 396.411 -0.630 20 0 GBADLO COC(=O)Cn1ncc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000527259783 1073679557 /nfs/dbraw/zinc/67/95/57/1073679557.db2.gz MARIHBKCCQVTLA-AWEZNQCLSA-N 1 2 393.444 -0.516 20 0 GBADLO COC(=O)Cn1ncc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000527259784 1073679437 /nfs/dbraw/zinc/67/94/37/1073679437.db2.gz MARIHBKCCQVTLA-CQSZACIVSA-N 1 2 393.444 -0.516 20 0 GBADLO CCCN1C(=O)CC[C@@H](C(=O)N2CCN(CC(N)=O)CC2)[C@@H]1c1c[nH+]cn1C ZINC000527263194 1073679705 /nfs/dbraw/zinc/67/97/05/1073679705.db2.gz MYAQYJGYACSAHB-RDTXWAMCSA-N 1 2 390.488 -0.261 20 0 GBADLO C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](CO)O1 ZINC000527286023 1073680439 /nfs/dbraw/zinc/68/04/39/1073680439.db2.gz ZAEZWUGOYPEWJU-CVEARBPZSA-N 1 2 391.472 -0.089 20 0 GBADLO C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](CO)O1 ZINC000527286024 1073680531 /nfs/dbraw/zinc/68/05/31/1073680531.db2.gz ZAEZWUGOYPEWJU-HOTGVXAUSA-N 1 2 391.472 -0.089 20 0 GBADLO C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](CO)O1 ZINC000527286025 1073680618 /nfs/dbraw/zinc/68/06/18/1073680618.db2.gz ZAEZWUGOYPEWJU-HZPDHXFCSA-N 1 2 391.472 -0.089 20 0 GBADLO C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](CO)O1 ZINC000527286026 1073680417 /nfs/dbraw/zinc/68/04/17/1073680417.db2.gz ZAEZWUGOYPEWJU-JKSUJKDBSA-N 1 2 391.472 -0.089 20 0 GBADLO O=C(CS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1)N1CCNC(=O)C1 ZINC000527322196 1073681139 /nfs/dbraw/zinc/68/11/39/1073681139.db2.gz GZMODCUCSVKMTO-UHFFFAOYSA-N 1 2 376.438 -0.195 20 0 GBADLO CS[C@@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)C[C@H]1[NH+]1CCCC1 ZINC000527327249 530285874 /nfs/dbraw/zinc/28/58/74/530285874.db2.gz SMPXYEITIWAESH-CHWSQXEVSA-N 1 2 383.561 -0.527 20 0 GBADLO CS[C@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)C[C@H]1[NH+]1CCCC1 ZINC000527327250 530285967 /nfs/dbraw/zinc/28/59/67/530285967.db2.gz SMPXYEITIWAESH-OLZOCXBDSA-N 1 2 383.561 -0.527 20 0 GBADLO CS[C@@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000527327251 530286144 /nfs/dbraw/zinc/28/61/44/530286144.db2.gz SMPXYEITIWAESH-QWHCGFSZSA-N 1 2 383.561 -0.527 20 0 GBADLO CS[C@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000527327252 530285951 /nfs/dbraw/zinc/28/59/51/530285951.db2.gz SMPXYEITIWAESH-STQMWFEESA-N 1 2 383.561 -0.527 20 0 GBADLO COC(=O)c1csc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000527399926 1073684760 /nfs/dbraw/zinc/68/47/60/1073684760.db2.gz JSELAPRRNAONTH-GFCCVEGCSA-N 1 2 385.442 -0.375 20 0 GBADLO COC(=O)c1csc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000527399927 1073684949 /nfs/dbraw/zinc/68/49/49/1073684949.db2.gz JSELAPRRNAONTH-LBPRGKRZSA-N 1 2 385.442 -0.375 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000527403866 1073685025 /nfs/dbraw/zinc/68/50/25/1073685025.db2.gz IPZJKHWXDVEWLN-HNNXBMFYSA-N 1 2 388.428 -0.643 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000527403867 1073684914 /nfs/dbraw/zinc/68/49/14/1073684914.db2.gz IPZJKHWXDVEWLN-OAHLLOKOSA-N 1 2 388.428 -0.643 20 0 GBADLO CCNC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000527403938 1073685207 /nfs/dbraw/zinc/68/52/07/1073685207.db2.gz FJTZJQLXQQRIQB-INIZCTEOSA-N 1 2 392.456 -0.474 20 0 GBADLO CCNC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000527403939 1073684687 /nfs/dbraw/zinc/68/46/87/1073684687.db2.gz FJTZJQLXQQRIQB-MRXNPFEDSA-N 1 2 392.456 -0.474 20 0 GBADLO CS(=O)(=O)C1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000527454027 1073684979 /nfs/dbraw/zinc/68/49/79/1073684979.db2.gz FHHULQHNBPYUHL-UHFFFAOYSA-N 1 2 380.470 -0.186 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000527497266 530357235 /nfs/dbraw/zinc/35/72/35/530357235.db2.gz HBNAUHWEWPPBRD-DZGCQCFKSA-N 1 2 392.547 -0.343 20 0 GBADLO NS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000527497267 530357331 /nfs/dbraw/zinc/35/73/31/530357331.db2.gz HBNAUHWEWPPBRD-HIFRSBDPSA-N 1 2 392.547 -0.343 20 0 GBADLO NS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000527497268 530357163 /nfs/dbraw/zinc/35/71/63/530357163.db2.gz HBNAUHWEWPPBRD-UKRRQHHQSA-N 1 2 392.547 -0.343 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000527497269 530357361 /nfs/dbraw/zinc/35/73/61/530357361.db2.gz HBNAUHWEWPPBRD-ZFWWWQNUSA-N 1 2 392.547 -0.343 20 0 GBADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[C@@H](c3nc[nH]n3)C[C@@H]2O)CC1 ZINC000527585972 1073691202 /nfs/dbraw/zinc/69/12/02/1073691202.db2.gz AOVVJAOBHLGCBE-ILXRZTDVSA-N 1 2 393.492 -0.535 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000527631543 1073692440 /nfs/dbraw/zinc/69/24/40/1073692440.db2.gz LMYCIWWUNUGIKN-UHFFFAOYSA-N 1 2 383.493 -0.523 20 0 GBADLO CCOC[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC000527733474 530357178 /nfs/dbraw/zinc/35/71/78/530357178.db2.gz BIDRTJGGYGUJPV-HNNXBMFYSA-N 1 2 377.507 -0.058 20 0 GBADLO CCOC[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC000527733478 530357270 /nfs/dbraw/zinc/35/72/70/530357270.db2.gz BIDRTJGGYGUJPV-OAHLLOKOSA-N 1 2 377.507 -0.058 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000527766848 1073698286 /nfs/dbraw/zinc/69/82/86/1073698286.db2.gz GQQMFWSYHFAEIE-UHFFFAOYSA-N 1 2 383.493 -0.523 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000527766848 1073698279 /nfs/dbraw/zinc/69/82/79/1073698279.db2.gz GQQMFWSYHFAEIE-UHFFFAOYSA-N 1 2 383.493 -0.523 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000527768760 1073698304 /nfs/dbraw/zinc/69/83/04/1073698304.db2.gz RULXKOSJXMFJMG-CABCVRRESA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000527768761 1073698070 /nfs/dbraw/zinc/69/80/70/1073698070.db2.gz RULXKOSJXMFJMG-GJZGRUSLSA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000527768762 1073698176 /nfs/dbraw/zinc/69/81/76/1073698176.db2.gz RULXKOSJXMFJMG-HUUCEWRRSA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000527768763 1073697971 /nfs/dbraw/zinc/69/79/71/1073697971.db2.gz RULXKOSJXMFJMG-LSDHHAIUSA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000527797233 1073699422 /nfs/dbraw/zinc/69/94/22/1073699422.db2.gz BBXKDXWNFCIZFJ-UHFFFAOYSA-N 1 2 383.493 -0.523 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000527797233 1073699415 /nfs/dbraw/zinc/69/94/15/1073699415.db2.gz BBXKDXWNFCIZFJ-UHFFFAOYSA-N 1 2 383.493 -0.523 20 0 GBADLO CCCOc1nccnc1N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000527844892 1073699063 /nfs/dbraw/zinc/69/90/63/1073699063.db2.gz RYPXQMBYVNCWAZ-UHFFFAOYSA-N 1 2 384.506 -0.120 20 0 GBADLO CCC[C@H](OCC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000527900195 530357455 /nfs/dbraw/zinc/35/74/55/530357455.db2.gz UNXNMNXHXGGAAJ-HNNXBMFYSA-N 1 2 376.523 -0.172 20 0 GBADLO CCC[C@@H](OCC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000527900202 530357386 /nfs/dbraw/zinc/35/73/86/530357386.db2.gz UNXNMNXHXGGAAJ-OAHLLOKOSA-N 1 2 376.523 -0.172 20 0 GBADLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000527901517 1073701668 /nfs/dbraw/zinc/70/16/68/1073701668.db2.gz ZLULITFQWPNOLL-CAOSSQGBSA-N 1 2 388.534 -0.318 20 0 GBADLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000527901518 1073701347 /nfs/dbraw/zinc/70/13/47/1073701347.db2.gz ZLULITFQWPNOLL-JONQDZQNSA-N 1 2 388.534 -0.318 20 0 GBADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000527901519 1073701188 /nfs/dbraw/zinc/70/11/88/1073701188.db2.gz ZLULITFQWPNOLL-QKPAOTATSA-N 1 2 388.534 -0.318 20 0 GBADLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000527901520 1073701510 /nfs/dbraw/zinc/70/15/10/1073701510.db2.gz ZLULITFQWPNOLL-QXSJWSMHSA-N 1 2 388.534 -0.318 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccnn1 ZINC000527951084 1073702155 /nfs/dbraw/zinc/70/21/55/1073702155.db2.gz DIGSYSWZUWSGKZ-UHFFFAOYSA-N 1 2 376.442 -0.247 20 0 GBADLO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000528054053 530357604 /nfs/dbraw/zinc/35/76/04/530357604.db2.gz MIZVBSQBJVWOSP-LLVKDONJSA-N 1 2 393.487 -0.277 20 0 GBADLO CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000528054054 530357845 /nfs/dbraw/zinc/35/78/45/530357845.db2.gz MIZVBSQBJVWOSP-NSHDSACASA-N 1 2 393.487 -0.277 20 0 GBADLO CN1CCN(c2cc(N3CCN(S(=O)(=O)C4CC4)CC3)nc[nH+]2)CC1=O ZINC000528118397 1073705645 /nfs/dbraw/zinc/70/56/45/1073705645.db2.gz NNMLQWZPIKCXDI-UHFFFAOYSA-N 1 2 380.474 -0.631 20 0 GBADLO CN1CCN(c2cc(N3CCN(S(=O)(=O)C4CC4)CC3)[nH+]cn2)CC1=O ZINC000528118397 1073705637 /nfs/dbraw/zinc/70/56/37/1073705637.db2.gz NNMLQWZPIKCXDI-UHFFFAOYSA-N 1 2 380.474 -0.631 20 0 GBADLO CCOC[C@@H]1CN(c2nc(NC)nc(N3CCO[C@H](COCC)C3)[nH+]2)CCO1 ZINC000528189898 1073706472 /nfs/dbraw/zinc/70/64/72/1073706472.db2.gz NGYYSABTEFNGJL-GJZGRUSLSA-N 1 2 396.492 -0.181 20 0 GBADLO CCOC[C@H]1CN(c2nc(NC)nc(N3CCO[C@@H](COCC)C3)[nH+]2)CCO1 ZINC000528189899 1073706920 /nfs/dbraw/zinc/70/69/20/1073706920.db2.gz NGYYSABTEFNGJL-HUUCEWRRSA-N 1 2 396.492 -0.181 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000528190181 1073708020 /nfs/dbraw/zinc/70/80/20/1073708020.db2.gz KSVGGWOHAQYXOD-INIZCTEOSA-N 1 2 390.488 -0.140 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000528190181 1073708015 /nfs/dbraw/zinc/70/80/15/1073708015.db2.gz KSVGGWOHAQYXOD-INIZCTEOSA-N 1 2 390.488 -0.140 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000528190188 1073707633 /nfs/dbraw/zinc/70/76/33/1073707633.db2.gz KSVGGWOHAQYXOD-MRXNPFEDSA-N 1 2 390.488 -0.140 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000528190188 1073707628 /nfs/dbraw/zinc/70/76/28/1073707628.db2.gz KSVGGWOHAQYXOD-MRXNPFEDSA-N 1 2 390.488 -0.140 20 0 GBADLO CCO[C@@]1(C)C[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000528214286 1073707827 /nfs/dbraw/zinc/70/78/27/1073707827.db2.gz UZCXPXPRCUYGAB-ZBFHGGJFSA-N 1 2 389.522 -0.627 20 0 GBADLO Cc1ncccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000528256012 1073707748 /nfs/dbraw/zinc/70/77/48/1073707748.db2.gz KVBUALOMCNUTSV-UHFFFAOYSA-N 1 2 396.517 -0.291 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)CC1 ZINC000528299817 530358201 /nfs/dbraw/zinc/35/82/01/530358201.db2.gz KBAULEBJRXTFQQ-UHFFFAOYSA-N 1 2 383.396 -0.072 20 0 GBADLO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000528335494 530358603 /nfs/dbraw/zinc/35/86/03/530358603.db2.gz RYQZNNCOWOVLLX-GFCCVEGCSA-N 1 2 386.396 -0.200 20 0 GBADLO Cn1nc(C(F)(F)F)cc1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000528335499 530358521 /nfs/dbraw/zinc/35/85/21/530358521.db2.gz RYQZNNCOWOVLLX-LBPRGKRZSA-N 1 2 386.396 -0.200 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528341128 530358438 /nfs/dbraw/zinc/35/84/38/530358438.db2.gz LSQJGVBVEYDLGS-JTQLQIEISA-N 1 2 386.396 -0.248 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528341140 530358457 /nfs/dbraw/zinc/35/84/57/530358457.db2.gz LSQJGVBVEYDLGS-SNVBAGLBSA-N 1 2 386.396 -0.248 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)C[C@@H](C)O1 ZINC000528349656 1073710417 /nfs/dbraw/zinc/71/04/17/1073710417.db2.gz LTZNUBVLXCKNNU-BZUAXINKSA-N 1 2 391.534 -0.376 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)C[C@@H](C)O1 ZINC000528349665 1073710826 /nfs/dbraw/zinc/71/08/26/1073710826.db2.gz LTZNUBVLXCKNNU-OAGGEKHMSA-N 1 2 391.534 -0.376 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000528349667 1073710665 /nfs/dbraw/zinc/71/06/65/1073710665.db2.gz LTZNUBVLXCKNNU-OWCLPIDISA-N 1 2 391.534 -0.376 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000528349669 1073710699 /nfs/dbraw/zinc/71/06/99/1073710699.db2.gz LTZNUBVLXCKNNU-XHSDSOJGSA-N 1 2 391.534 -0.376 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528470139 530285273 /nfs/dbraw/zinc/28/52/73/530285273.db2.gz RRUZMWFTYHHOGB-UHFFFAOYSA-N 1 2 381.520 -0.852 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C[C@@H](C)O1 ZINC000528480684 530469081 /nfs/dbraw/zinc/46/90/81/530469081.db2.gz HETOUBZLTSOXNQ-FMKPAKJESA-N 1 2 377.507 -0.454 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C[C@@H](C)O1 ZINC000528480684 530469079 /nfs/dbraw/zinc/46/90/79/530469079.db2.gz HETOUBZLTSOXNQ-FMKPAKJESA-N 1 2 377.507 -0.454 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C[C@@H](C)O1 ZINC000528480685 530469019 /nfs/dbraw/zinc/46/90/19/530469019.db2.gz HETOUBZLTSOXNQ-IIAWOOMASA-N 1 2 377.507 -0.454 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C[C@@H](C)O1 ZINC000528480685 530469017 /nfs/dbraw/zinc/46/90/17/530469017.db2.gz HETOUBZLTSOXNQ-IIAWOOMASA-N 1 2 377.507 -0.454 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C[C@H](C)O1 ZINC000528480686 530468860 /nfs/dbraw/zinc/46/88/60/530468860.db2.gz HETOUBZLTSOXNQ-IJEWVQPXSA-N 1 2 377.507 -0.454 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C[C@H](C)O1 ZINC000528480686 530468858 /nfs/dbraw/zinc/46/88/58/530468858.db2.gz HETOUBZLTSOXNQ-IJEWVQPXSA-N 1 2 377.507 -0.454 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C[C@H](C)O1 ZINC000528480687 530468770 /nfs/dbraw/zinc/46/87/70/530468770.db2.gz HETOUBZLTSOXNQ-LZWOXQAQSA-N 1 2 377.507 -0.454 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C[C@H](C)O1 ZINC000528480687 530468768 /nfs/dbraw/zinc/46/87/68/530468768.db2.gz HETOUBZLTSOXNQ-LZWOXQAQSA-N 1 2 377.507 -0.454 20 0 GBADLO CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000528500814 1073715519 /nfs/dbraw/zinc/71/55/19/1073715519.db2.gz JQWBYNZSDXRMBG-AWEZNQCLSA-N 1 2 385.490 -0.175 20 0 GBADLO Cc1oc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(C)(=O)=O ZINC000528596568 1073716456 /nfs/dbraw/zinc/71/64/56/1073716456.db2.gz BKYKKWVPBKILIQ-CYBMUJFWSA-N 1 2 399.469 -0.346 20 0 GBADLO Cc1oc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(C)(=O)=O ZINC000528596570 1073717064 /nfs/dbraw/zinc/71/70/64/1073717064.db2.gz BKYKKWVPBKILIQ-ZDUSSCGKSA-N 1 2 399.469 -0.346 20 0 GBADLO CC(=O)Nc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000528597295 1073716769 /nfs/dbraw/zinc/71/67/69/1073716769.db2.gz DRKYFHQPPUBBAB-HNNXBMFYSA-N 1 2 375.429 -0.297 20 0 GBADLO CC(=O)Nc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000528597299 1073716800 /nfs/dbraw/zinc/71/68/00/1073716800.db2.gz DRKYFHQPPUBBAB-OAHLLOKOSA-N 1 2 375.429 -0.297 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cn2ccnn2)cc1 ZINC000528597918 1073716426 /nfs/dbraw/zinc/71/64/26/1073716426.db2.gz HBZJKLGCIHVEOA-GOSISDBHSA-N 1 2 398.467 -0.011 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cn2ccnn2)cc1 ZINC000528597923 1073716857 /nfs/dbraw/zinc/71/68/57/1073716857.db2.gz HBZJKLGCIHVEOA-SFHVURJKSA-N 1 2 398.467 -0.011 20 0 GBADLO COCCCn1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000528600743 1073717043 /nfs/dbraw/zinc/71/70/43/1073717043.db2.gz XAECZJDEIQHQKM-INIZCTEOSA-N 1 2 379.461 -0.418 20 0 GBADLO COCCCn1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000528600744 1073716568 /nfs/dbraw/zinc/71/65/68/1073716568.db2.gz XAECZJDEIQHQKM-MRXNPFEDSA-N 1 2 379.461 -0.418 20 0 GBADLO NS(=O)(=O)c1ccc(OCC[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000528606725 530469219 /nfs/dbraw/zinc/46/92/19/530469219.db2.gz FVCVEHNWGSZWNG-UHFFFAOYSA-N 1 2 389.499 -0.177 20 0 GBADLO CC(C)(CNC(=O)CN1CCN(S(=O)(=O)C2CC2)CC1)[NH+]1CCOCC1 ZINC000528613818 1073718690 /nfs/dbraw/zinc/71/86/90/1073718690.db2.gz WQZQZAPUPCXZAU-UHFFFAOYSA-N 1 2 388.534 -0.677 20 0 GBADLO CNC(=O)NC[C@H]1CN([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000528621134 1073717464 /nfs/dbraw/zinc/71/74/64/1073717464.db2.gz MLUZUTXLKUVVPQ-CVEARBPZSA-N 1 2 390.488 -0.252 20 0 GBADLO CNC(=O)NC[C@H]1CN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000528621138 1073718250 /nfs/dbraw/zinc/71/82/50/1073718250.db2.gz MLUZUTXLKUVVPQ-HOTGVXAUSA-N 1 2 390.488 -0.252 20 0 GBADLO CNC(=O)NC[C@@H]1CN([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000528621144 1073717354 /nfs/dbraw/zinc/71/73/54/1073717354.db2.gz MLUZUTXLKUVVPQ-HZPDHXFCSA-N 1 2 390.488 -0.252 20 0 GBADLO CNC(=O)NC[C@@H]1CN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000528621146 1073717609 /nfs/dbraw/zinc/71/76/09/1073717609.db2.gz MLUZUTXLKUVVPQ-JKSUJKDBSA-N 1 2 390.488 -0.252 20 0 GBADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000528622069 1073717962 /nfs/dbraw/zinc/71/79/62/1073717962.db2.gz OMMAOENMRLIEBU-GDBMZVCRSA-N 1 2 392.456 -0.059 20 0 GBADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000528622069 1073717951 /nfs/dbraw/zinc/71/79/51/1073717951.db2.gz OMMAOENMRLIEBU-GDBMZVCRSA-N 1 2 392.456 -0.059 20 0 GBADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000528622073 1073717797 /nfs/dbraw/zinc/71/77/97/1073717797.db2.gz OMMAOENMRLIEBU-GOEBONIOSA-N 1 2 392.456 -0.059 20 0 GBADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000528622073 1073717785 /nfs/dbraw/zinc/71/77/85/1073717785.db2.gz OMMAOENMRLIEBU-GOEBONIOSA-N 1 2 392.456 -0.059 20 0 GBADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000528622074 1073718227 /nfs/dbraw/zinc/71/82/27/1073718227.db2.gz OMMAOENMRLIEBU-HOCLYGCPSA-N 1 2 392.456 -0.059 20 0 GBADLO CNC(=O)NC[C@H]1C[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000528622074 1073718220 /nfs/dbraw/zinc/71/82/20/1073718220.db2.gz OMMAOENMRLIEBU-HOCLYGCPSA-N 1 2 392.456 -0.059 20 0 GBADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000528622075 1073717399 /nfs/dbraw/zinc/71/73/99/1073717399.db2.gz OMMAOENMRLIEBU-ZBFHGGJFSA-N 1 2 392.456 -0.059 20 0 GBADLO CNC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000528622075 1073717395 /nfs/dbraw/zinc/71/73/95/1073717395.db2.gz OMMAOENMRLIEBU-ZBFHGGJFSA-N 1 2 392.456 -0.059 20 0 GBADLO CNC(=O)NC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CCO1 ZINC000528627250 1073719710 /nfs/dbraw/zinc/71/97/10/1073719710.db2.gz SCLRIJWDPADGQI-CYBMUJFWSA-N 1 2 399.473 -0.708 20 0 GBADLO CNC(=O)NC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CCO1 ZINC000528627250 1073719702 /nfs/dbraw/zinc/71/97/02/1073719702.db2.gz SCLRIJWDPADGQI-CYBMUJFWSA-N 1 2 399.473 -0.708 20 0 GBADLO CNC(=O)NC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CCO1 ZINC000528627253 1073718890 /nfs/dbraw/zinc/71/88/90/1073718890.db2.gz SCLRIJWDPADGQI-ZDUSSCGKSA-N 1 2 399.473 -0.708 20 0 GBADLO CNC(=O)NC[C@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CCO1 ZINC000528627253 1073718884 /nfs/dbraw/zinc/71/88/84/1073718884.db2.gz SCLRIJWDPADGQI-ZDUSSCGKSA-N 1 2 399.473 -0.708 20 0 GBADLO Cn1c2[nH]c(C[N@H+]3CC4(CCOCC4)CC[C@@H]3CO)nc2c(=O)n(C)c1=O ZINC000528646512 1073719367 /nfs/dbraw/zinc/71/93/67/1073719367.db2.gz VZOZOSQNFOIMLS-GFCCVEGCSA-N 1 2 377.445 -0.286 20 0 GBADLO Cn1c2[nH]c(C[N@@H+]3CC4(CCOCC4)CC[C@@H]3CO)nc2c(=O)n(C)c1=O ZINC000528646512 1073719358 /nfs/dbraw/zinc/71/93/58/1073719358.db2.gz VZOZOSQNFOIMLS-GFCCVEGCSA-N 1 2 377.445 -0.286 20 0 GBADLO Cn1c2[nH]c(C[N@H+]3CC4(CCOCC4)CC[C@H]3CO)nc2c(=O)n(C)c1=O ZINC000528646513 1073719102 /nfs/dbraw/zinc/71/91/02/1073719102.db2.gz VZOZOSQNFOIMLS-LBPRGKRZSA-N 1 2 377.445 -0.286 20 0 GBADLO Cn1c2[nH]c(C[N@@H+]3CC4(CCOCC4)CC[C@H]3CO)nc2c(=O)n(C)c1=O ZINC000528646513 1073719092 /nfs/dbraw/zinc/71/90/92/1073719092.db2.gz VZOZOSQNFOIMLS-LBPRGKRZSA-N 1 2 377.445 -0.286 20 0 GBADLO COc1cccc(CNC(=O)C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)c1 ZINC000528727762 1073722244 /nfs/dbraw/zinc/72/22/44/1073722244.db2.gz GNFSHBKMYIBJNH-UHFFFAOYSA-N 1 2 376.457 -0.018 20 0 GBADLO COc1cccc(CNC(=O)C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)c1 ZINC000528727762 1073722241 /nfs/dbraw/zinc/72/22/41/1073722241.db2.gz GNFSHBKMYIBJNH-UHFFFAOYSA-N 1 2 376.457 -0.018 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000528728186 1073721926 /nfs/dbraw/zinc/72/19/26/1073721926.db2.gz MNBWEQCWHFEGDB-CYBMUJFWSA-N 1 2 393.488 -0.576 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000528728189 1073722287 /nfs/dbraw/zinc/72/22/87/1073722287.db2.gz MNBWEQCWHFEGDB-ZDUSSCGKSA-N 1 2 393.488 -0.576 20 0 GBADLO COc1ccc(CNC(=O)C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1 ZINC000528728477 1073721943 /nfs/dbraw/zinc/72/19/43/1073721943.db2.gz JMOJTZLXHGLKLN-UHFFFAOYSA-N 1 2 376.457 -0.018 20 0 GBADLO COc1ccc(CNC(=O)C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1 ZINC000528728477 1073721938 /nfs/dbraw/zinc/72/19/38/1073721938.db2.gz JMOJTZLXHGLKLN-UHFFFAOYSA-N 1 2 376.457 -0.018 20 0 GBADLO COc1ccccc1CNC(=O)C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528728706 1073721801 /nfs/dbraw/zinc/72/18/01/1073721801.db2.gz LTFRVJMIPGPQHT-UHFFFAOYSA-N 1 2 376.457 -0.018 20 0 GBADLO COc1ccccc1CNC(=O)C[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528728706 1073721794 /nfs/dbraw/zinc/72/17/94/1073721794.db2.gz LTFRVJMIPGPQHT-UHFFFAOYSA-N 1 2 376.457 -0.018 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000528730757 1073722450 /nfs/dbraw/zinc/72/24/50/1073722450.db2.gz PEMKPXOGVFAFHM-UHFFFAOYSA-N 1 2 382.486 -0.365 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000528730757 1073722445 /nfs/dbraw/zinc/72/24/45/1073722445.db2.gz PEMKPXOGVFAFHM-UHFFFAOYSA-N 1 2 382.486 -0.365 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000528730762 1073721960 /nfs/dbraw/zinc/72/19/60/1073721960.db2.gz PHGCQTLPNCYEMV-DLBZAZTESA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000528730762 1073721954 /nfs/dbraw/zinc/72/19/54/1073721954.db2.gz PHGCQTLPNCYEMV-DLBZAZTESA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000528730768 1073722550 /nfs/dbraw/zinc/72/25/50/1073722550.db2.gz PHGCQTLPNCYEMV-IAGOWNOFSA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000528730768 1073722540 /nfs/dbraw/zinc/72/25/40/1073722540.db2.gz PHGCQTLPNCYEMV-IAGOWNOFSA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000528730769 1073722606 /nfs/dbraw/zinc/72/26/06/1073722606.db2.gz PHGCQTLPNCYEMV-IRXDYDNUSA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000528730769 1073722598 /nfs/dbraw/zinc/72/25/98/1073722598.db2.gz PHGCQTLPNCYEMV-IRXDYDNUSA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000528730770 1073722019 /nfs/dbraw/zinc/72/20/19/1073722019.db2.gz PHGCQTLPNCYEMV-SJORKVTESA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000528730770 1073722013 /nfs/dbraw/zinc/72/20/13/1073722013.db2.gz PHGCQTLPNCYEMV-SJORKVTESA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000528733241 1073721842 /nfs/dbraw/zinc/72/18/42/1073721842.db2.gz BISMGPQYJLHLFY-UHFFFAOYSA-N 1 2 381.477 -0.185 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000528733241 1073721839 /nfs/dbraw/zinc/72/18/39/1073721839.db2.gz BISMGPQYJLHLFY-UHFFFAOYSA-N 1 2 381.477 -0.185 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000528733364 1073722314 /nfs/dbraw/zinc/72/23/14/1073722314.db2.gz DYJJFSHSWJKWGY-HNNXBMFYSA-N 1 2 376.461 -0.414 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000528733364 1073722308 /nfs/dbraw/zinc/72/23/08/1073722308.db2.gz DYJJFSHSWJKWGY-HNNXBMFYSA-N 1 2 376.461 -0.414 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000528733370 1073722492 /nfs/dbraw/zinc/72/24/92/1073722492.db2.gz DYJJFSHSWJKWGY-OAHLLOKOSA-N 1 2 376.461 -0.414 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000528733370 1073722485 /nfs/dbraw/zinc/72/24/85/1073722485.db2.gz DYJJFSHSWJKWGY-OAHLLOKOSA-N 1 2 376.461 -0.414 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000528734438 1073722581 /nfs/dbraw/zinc/72/25/81/1073722581.db2.gz LZARELORYJHFHG-UHFFFAOYSA-N 1 2 390.440 -0.298 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000528734438 1073722573 /nfs/dbraw/zinc/72/25/73/1073722573.db2.gz LZARELORYJHFHG-UHFFFAOYSA-N 1 2 390.440 -0.298 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000528734472 1073723335 /nfs/dbraw/zinc/72/33/35/1073723335.db2.gz MCRCLLKZTCZCNH-INIZCTEOSA-N 1 2 376.461 -0.414 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000528734472 1073723325 /nfs/dbraw/zinc/72/33/25/1073723325.db2.gz MCRCLLKZTCZCNH-INIZCTEOSA-N 1 2 376.461 -0.414 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000528734476 1073723709 /nfs/dbraw/zinc/72/37/09/1073723709.db2.gz MCRCLLKZTCZCNH-MRXNPFEDSA-N 1 2 376.461 -0.414 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000528734476 1073723699 /nfs/dbraw/zinc/72/36/99/1073723699.db2.gz MCRCLLKZTCZCNH-MRXNPFEDSA-N 1 2 376.461 -0.414 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000528735851 1073723107 /nfs/dbraw/zinc/72/31/07/1073723107.db2.gz WRTZHNSMOXJBFV-KRWDZBQOSA-N 1 2 388.468 -0.223 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000528735851 1073723103 /nfs/dbraw/zinc/72/31/03/1073723103.db2.gz WRTZHNSMOXJBFV-KRWDZBQOSA-N 1 2 388.468 -0.223 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000528735852 1073723617 /nfs/dbraw/zinc/72/36/17/1073723617.db2.gz WRTZHNSMOXJBFV-QGZVFWFLSA-N 1 2 388.468 -0.223 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000528735852 1073723609 /nfs/dbraw/zinc/72/36/09/1073723609.db2.gz WRTZHNSMOXJBFV-QGZVFWFLSA-N 1 2 388.468 -0.223 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1S(N)(=O)=O ZINC000528748169 1073722166 /nfs/dbraw/zinc/72/21/66/1073722166.db2.gz FXKQCUDHIMFOFK-CALCHBBNSA-N 1 2 385.486 -0.106 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1S(N)(=O)=O ZINC000528748169 1073722161 /nfs/dbraw/zinc/72/21/61/1073722161.db2.gz FXKQCUDHIMFOFK-CALCHBBNSA-N 1 2 385.486 -0.106 20 0 GBADLO CCN(C(=O)[C@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000528748885 530469261 /nfs/dbraw/zinc/46/92/61/530469261.db2.gz JKDQDLNINCGYDC-HDEZJCGLSA-N 1 2 376.519 -0.277 20 0 GBADLO CCN(C(=O)[C@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000528748885 530469259 /nfs/dbraw/zinc/46/92/59/530469259.db2.gz JKDQDLNINCGYDC-HDEZJCGLSA-N 1 2 376.519 -0.277 20 0 GBADLO CCN(C(=O)[C@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[C@H]1CCS(=O)(=O)C1 ZINC000528748893 530469345 /nfs/dbraw/zinc/46/93/45/530469345.db2.gz JKDQDLNINCGYDC-NXNVCVFFSA-N 1 2 376.519 -0.277 20 0 GBADLO CCN(C(=O)[C@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[C@H]1CCS(=O)(=O)C1 ZINC000528748893 530469343 /nfs/dbraw/zinc/46/93/43/530469343.db2.gz JKDQDLNINCGYDC-NXNVCVFFSA-N 1 2 376.519 -0.277 20 0 GBADLO CCN(C(=O)[C@@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000528748896 530469315 /nfs/dbraw/zinc/46/93/15/530469315.db2.gz JKDQDLNINCGYDC-SRABZTEZSA-N 1 2 376.519 -0.277 20 0 GBADLO CCN(C(=O)[C@@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000528748896 530469312 /nfs/dbraw/zinc/46/93/12/530469312.db2.gz JKDQDLNINCGYDC-SRABZTEZSA-N 1 2 376.519 -0.277 20 0 GBADLO CCN(C(=O)[C@@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[C@H]1CCS(=O)(=O)C1 ZINC000528748901 530469297 /nfs/dbraw/zinc/46/92/97/530469297.db2.gz JKDQDLNINCGYDC-WTTBNOFXSA-N 1 2 376.519 -0.277 20 0 GBADLO CCN(C(=O)[C@@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1)[C@H]1CCS(=O)(=O)C1 ZINC000528748901 530469295 /nfs/dbraw/zinc/46/92/95/530469295.db2.gz JKDQDLNINCGYDC-WTTBNOFXSA-N 1 2 376.519 -0.277 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(=O)[nH]c1=O ZINC000528749169 1073723162 /nfs/dbraw/zinc/72/31/62/1073723162.db2.gz AGTYZGHYHBLSLL-HDICACEKSA-N 1 2 382.461 -0.317 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(=O)[nH]c1=O ZINC000528749169 1073723154 /nfs/dbraw/zinc/72/31/54/1073723154.db2.gz AGTYZGHYHBLSLL-HDICACEKSA-N 1 2 382.461 -0.317 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(=O)n(C)c1=O ZINC000528751917 1073723366 /nfs/dbraw/zinc/72/33/66/1073723366.db2.gz KWWHWNKGFZGWEJ-KDURUIRLSA-N 1 2 396.488 -0.719 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(=O)n(C)c1=O ZINC000528751917 1073723359 /nfs/dbraw/zinc/72/33/59/1073723359.db2.gz KWWHWNKGFZGWEJ-KDURUIRLSA-N 1 2 396.488 -0.719 20 0 GBADLO Cn1c2ncn(CC[N@H+]3CC[C@H]4CC[C@@H](C3)S4(=O)=O)c2c(=O)n(C)c1=O ZINC000528777381 1073723272 /nfs/dbraw/zinc/72/32/72/1073723272.db2.gz BAKQXJKOWOLKND-NEPJUHHUSA-N 1 2 381.458 -0.915 20 0 GBADLO Cn1c2ncn(CC[N@@H+]3CC[C@H]4CC[C@@H](C3)S4(=O)=O)c2c(=O)n(C)c1=O ZINC000528777381 1073723263 /nfs/dbraw/zinc/72/32/63/1073723263.db2.gz BAKQXJKOWOLKND-NEPJUHHUSA-N 1 2 381.458 -0.915 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528788786 1073724290 /nfs/dbraw/zinc/72/42/90/1073724290.db2.gz LLWNJIUBZDGOBL-HNNXBMFYSA-N 1 2 376.461 -0.449 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528788786 1073724278 /nfs/dbraw/zinc/72/42/78/1073724278.db2.gz LLWNJIUBZDGOBL-HNNXBMFYSA-N 1 2 376.461 -0.449 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528788788 1073724125 /nfs/dbraw/zinc/72/41/25/1073724125.db2.gz LLWNJIUBZDGOBL-OAHLLOKOSA-N 1 2 376.461 -0.449 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528788788 1073724112 /nfs/dbraw/zinc/72/41/12/1073724112.db2.gz LLWNJIUBZDGOBL-OAHLLOKOSA-N 1 2 376.461 -0.449 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000528801006 1073724067 /nfs/dbraw/zinc/72/40/67/1073724067.db2.gz GMCHTXYBWSJRCV-GOSISDBHSA-N 1 2 391.468 -0.076 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000528801007 1073724393 /nfs/dbraw/zinc/72/43/93/1073724393.db2.gz GMCHTXYBWSJRCV-SFHVURJKSA-N 1 2 391.468 -0.076 20 0 GBADLO CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)C1 ZINC000528835162 1073724374 /nfs/dbraw/zinc/72/43/74/1073724374.db2.gz ZNHLMYUSYFKUOU-HOTGVXAUSA-N 1 2 389.518 -0.392 20 0 GBADLO CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)C1 ZINC000528835163 1073724452 /nfs/dbraw/zinc/72/44/52/1073724452.db2.gz ZNHLMYUSYFKUOU-JKSUJKDBSA-N 1 2 389.518 -0.392 20 0 GBADLO CNC(=O)NC[C@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000529004140 1073726303 /nfs/dbraw/zinc/72/63/03/1073726303.db2.gz PSHBONKXUASAIJ-HNNXBMFYSA-N 1 2 395.464 -0.623 20 0 GBADLO CNC(=O)NC[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000529004141 1073726568 /nfs/dbraw/zinc/72/65/68/1073726568.db2.gz PSHBONKXUASAIJ-OAHLLOKOSA-N 1 2 395.464 -0.623 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000529487005 530470008 /nfs/dbraw/zinc/47/00/08/530470008.db2.gz RETFGKLYYCXPKT-AWEZNQCLSA-N 1 2 377.507 -0.536 20 0 GBADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000529725572 1073742642 /nfs/dbraw/zinc/74/26/42/1073742642.db2.gz MYVYNEPCICIDDV-UHFFFAOYSA-N 1 2 393.513 -0.160 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(OCC(N)=O)c1 ZINC000529749618 1073744395 /nfs/dbraw/zinc/74/43/95/1073744395.db2.gz AWUBKQHSKDBKAE-IBGZPJMESA-N 1 2 377.441 -0.104 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(OCC(N)=O)c1 ZINC000529749618 1073744390 /nfs/dbraw/zinc/74/43/90/1073744390.db2.gz AWUBKQHSKDBKAE-IBGZPJMESA-N 1 2 377.441 -0.104 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(OCC(N)=O)c1 ZINC000529749621 1073744406 /nfs/dbraw/zinc/74/44/06/1073744406.db2.gz AWUBKQHSKDBKAE-LJQANCHMSA-N 1 2 377.441 -0.104 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(OCC(N)=O)c1 ZINC000529749621 1073744403 /nfs/dbraw/zinc/74/44/03/1073744403.db2.gz AWUBKQHSKDBKAE-LJQANCHMSA-N 1 2 377.441 -0.104 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000529749764 1073743859 /nfs/dbraw/zinc/74/38/59/1073743859.db2.gz CCSSUZJJGRSQBG-HRJVKACCSA-N 1 2 394.472 -0.513 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000529749764 1073743854 /nfs/dbraw/zinc/74/38/54/1073743854.db2.gz CCSSUZJJGRSQBG-HRJVKACCSA-N 1 2 394.472 -0.513 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000529749770 1073744322 /nfs/dbraw/zinc/74/43/22/1073744322.db2.gz CCSSUZJJGRSQBG-SZSCYUJKSA-N 1 2 394.472 -0.513 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000529749770 1073744319 /nfs/dbraw/zinc/74/43/19/1073744319.db2.gz CCSSUZJJGRSQBG-SZSCYUJKSA-N 1 2 394.472 -0.513 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000529750164 1073743941 /nfs/dbraw/zinc/74/39/41/1073743941.db2.gz CEKQKOYDRQALGR-PBHICJAKSA-N 1 2 389.518 -0.468 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000529750164 1073743934 /nfs/dbraw/zinc/74/39/34/1073743934.db2.gz CEKQKOYDRQALGR-PBHICJAKSA-N 1 2 389.518 -0.468 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000529750184 1073744137 /nfs/dbraw/zinc/74/41/37/1073744137.db2.gz CEKQKOYDRQALGR-RHSMWYFYSA-N 1 2 389.518 -0.468 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000529750184 1073744129 /nfs/dbraw/zinc/74/41/29/1073744129.db2.gz CEKQKOYDRQALGR-RHSMWYFYSA-N 1 2 389.518 -0.468 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000529750187 1073744253 /nfs/dbraw/zinc/74/42/53/1073744253.db2.gz CEKQKOYDRQALGR-WMLDXEAASA-N 1 2 389.518 -0.468 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000529750187 1073744246 /nfs/dbraw/zinc/74/42/46/1073744246.db2.gz CEKQKOYDRQALGR-WMLDXEAASA-N 1 2 389.518 -0.468 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000529750190 1073744189 /nfs/dbraw/zinc/74/41/89/1073744189.db2.gz CEKQKOYDRQALGR-YOEHRIQHSA-N 1 2 389.518 -0.468 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000529750190 1073744185 /nfs/dbraw/zinc/74/41/85/1073744185.db2.gz CEKQKOYDRQALGR-YOEHRIQHSA-N 1 2 389.518 -0.468 20 0 GBADLO COCCn1nc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1=O ZINC000529751106 1073745319 /nfs/dbraw/zinc/74/53/19/1073745319.db2.gz HZXOUWWYHDVJLS-GOSISDBHSA-N 1 2 380.445 -0.765 20 0 GBADLO COCCn1nc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1=O ZINC000529751106 1073745316 /nfs/dbraw/zinc/74/53/16/1073745316.db2.gz HZXOUWWYHDVJLS-GOSISDBHSA-N 1 2 380.445 -0.765 20 0 GBADLO COCCn1nc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1=O ZINC000529751109 1073745278 /nfs/dbraw/zinc/74/52/78/1073745278.db2.gz HZXOUWWYHDVJLS-SFHVURJKSA-N 1 2 380.445 -0.765 20 0 GBADLO COCCn1nc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1=O ZINC000529751109 1073745274 /nfs/dbraw/zinc/74/52/74/1073745274.db2.gz HZXOUWWYHDVJLS-SFHVURJKSA-N 1 2 380.445 -0.765 20 0 GBADLO Cn1ncc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1-n1cnnc1 ZINC000529751272 1073745218 /nfs/dbraw/zinc/74/52/18/1073745218.db2.gz HFYSZYKFOPKFMF-KRWDZBQOSA-N 1 2 375.433 -0.654 20 0 GBADLO Cn1ncc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1-n1cnnc1 ZINC000529751272 1073745214 /nfs/dbraw/zinc/74/52/14/1073745214.db2.gz HFYSZYKFOPKFMF-KRWDZBQOSA-N 1 2 375.433 -0.654 20 0 GBADLO Cn1ncc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1-n1cnnc1 ZINC000529751280 1073744914 /nfs/dbraw/zinc/74/49/14/1073744914.db2.gz HFYSZYKFOPKFMF-QGZVFWFLSA-N 1 2 375.433 -0.654 20 0 GBADLO Cn1ncc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1-n1cnnc1 ZINC000529751280 1073744905 /nfs/dbraw/zinc/74/49/05/1073744905.db2.gz HFYSZYKFOPKFMF-QGZVFWFLSA-N 1 2 375.433 -0.654 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1COCCN1CC(F)F ZINC000529751360 1073745262 /nfs/dbraw/zinc/74/52/62/1073745262.db2.gz HZHAQIFRGFLNLF-CXAGYDPISA-N 1 2 377.432 -0.316 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1COCCN1CC(F)F ZINC000529751360 1073745256 /nfs/dbraw/zinc/74/52/56/1073745256.db2.gz HZHAQIFRGFLNLF-CXAGYDPISA-N 1 2 377.432 -0.316 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1COCCN1CC(F)F ZINC000529751361 1073745234 /nfs/dbraw/zinc/74/52/34/1073745234.db2.gz HZHAQIFRGFLNLF-DYVFJYSZSA-N 1 2 377.432 -0.316 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1COCCN1CC(F)F ZINC000529751361 1073745230 /nfs/dbraw/zinc/74/52/30/1073745230.db2.gz HZHAQIFRGFLNLF-DYVFJYSZSA-N 1 2 377.432 -0.316 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1COCCN1CC(F)F ZINC000529751362 1073744801 /nfs/dbraw/zinc/74/48/01/1073744801.db2.gz HZHAQIFRGFLNLF-GUYCJALGSA-N 1 2 377.432 -0.316 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1COCCN1CC(F)F ZINC000529751362 1073744789 /nfs/dbraw/zinc/74/47/89/1073744789.db2.gz HZHAQIFRGFLNLF-GUYCJALGSA-N 1 2 377.432 -0.316 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1COCCN1CC(F)F ZINC000529751363 1073745142 /nfs/dbraw/zinc/74/51/42/1073745142.db2.gz HZHAQIFRGFLNLF-SUMWQHHRSA-N 1 2 377.432 -0.316 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1COCCN1CC(F)F ZINC000529751363 1073745137 /nfs/dbraw/zinc/74/51/37/1073745137.db2.gz HZHAQIFRGFLNLF-SUMWQHHRSA-N 1 2 377.432 -0.316 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000529751573 1073744231 /nfs/dbraw/zinc/74/42/31/1073744231.db2.gz IAGKDSOVZNLLSM-KRWDZBQOSA-N 1 2 389.518 -0.610 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000529751573 1073744217 /nfs/dbraw/zinc/74/42/17/1073744217.db2.gz IAGKDSOVZNLLSM-KRWDZBQOSA-N 1 2 389.518 -0.610 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000529751575 1073744023 /nfs/dbraw/zinc/74/40/23/1073744023.db2.gz IAGKDSOVZNLLSM-QGZVFWFLSA-N 1 2 389.518 -0.610 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000529751575 1073744016 /nfs/dbraw/zinc/74/40/16/1073744016.db2.gz IAGKDSOVZNLLSM-QGZVFWFLSA-N 1 2 389.518 -0.610 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000529751726 1073746682 /nfs/dbraw/zinc/74/66/82/1073746682.db2.gz KFYHHAHNROTQNS-IBGZPJMESA-N 1 2 388.424 -0.438 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000529751726 1073746672 /nfs/dbraw/zinc/74/66/72/1073746672.db2.gz KFYHHAHNROTQNS-IBGZPJMESA-N 1 2 388.424 -0.438 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000529751735 1073746887 /nfs/dbraw/zinc/74/68/87/1073746887.db2.gz KFYHHAHNROTQNS-LJQANCHMSA-N 1 2 388.424 -0.438 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000529751735 1073746881 /nfs/dbraw/zinc/74/68/81/1073746881.db2.gz KFYHHAHNROTQNS-LJQANCHMSA-N 1 2 388.424 -0.438 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000529751998 1073749708 /nfs/dbraw/zinc/74/97/08/1073749708.db2.gz LBJVZGDGKNVTBG-BBRMVZONSA-N 1 2 395.422 -0.019 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000529751998 1073749702 /nfs/dbraw/zinc/74/97/02/1073749702.db2.gz LBJVZGDGKNVTBG-BBRMVZONSA-N 1 2 395.422 -0.019 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000529751999 1073749619 /nfs/dbraw/zinc/74/96/19/1073749619.db2.gz LBJVZGDGKNVTBG-CJNGLKHVSA-N 1 2 395.422 -0.019 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000529751999 1073749612 /nfs/dbraw/zinc/74/96/12/1073749612.db2.gz LBJVZGDGKNVTBG-CJNGLKHVSA-N 1 2 395.422 -0.019 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000529752000 1073749990 /nfs/dbraw/zinc/74/99/90/1073749990.db2.gz LBJVZGDGKNVTBG-CZUORRHYSA-N 1 2 395.422 -0.019 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000529752000 1073749982 /nfs/dbraw/zinc/74/99/82/1073749982.db2.gz LBJVZGDGKNVTBG-CZUORRHYSA-N 1 2 395.422 -0.019 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000529752001 1073749497 /nfs/dbraw/zinc/74/94/97/1073749497.db2.gz LBJVZGDGKNVTBG-XJKSGUPXSA-N 1 2 395.422 -0.019 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000529752001 1073749488 /nfs/dbraw/zinc/74/94/88/1073749488.db2.gz LBJVZGDGKNVTBG-XJKSGUPXSA-N 1 2 395.422 -0.019 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccccc1OCC(N)=O ZINC000529752125 1073743343 /nfs/dbraw/zinc/74/33/43/1073743343.db2.gz KSCDESFEBHJTPK-IBGZPJMESA-N 1 2 377.441 -0.104 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccccc1OCC(N)=O ZINC000529752125 1073743339 /nfs/dbraw/zinc/74/33/39/1073743339.db2.gz KSCDESFEBHJTPK-IBGZPJMESA-N 1 2 377.441 -0.104 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccccc1OCC(N)=O ZINC000529752128 1073743259 /nfs/dbraw/zinc/74/32/59/1073743259.db2.gz KSCDESFEBHJTPK-LJQANCHMSA-N 1 2 377.441 -0.104 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccccc1OCC(N)=O ZINC000529752128 1073743254 /nfs/dbraw/zinc/74/32/54/1073743254.db2.gz KSCDESFEBHJTPK-LJQANCHMSA-N 1 2 377.441 -0.104 20 0 GBADLO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000529752319 1073744955 /nfs/dbraw/zinc/74/49/55/1073744955.db2.gz LOAZXRBTQIDRGD-GOSISDBHSA-N 1 2 397.497 -0.012 20 0 GBADLO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000529752319 1073744943 /nfs/dbraw/zinc/74/49/43/1073744943.db2.gz LOAZXRBTQIDRGD-GOSISDBHSA-N 1 2 397.497 -0.012 20 0 GBADLO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000529752320 1073745182 /nfs/dbraw/zinc/74/51/82/1073745182.db2.gz LOAZXRBTQIDRGD-SFHVURJKSA-N 1 2 397.497 -0.012 20 0 GBADLO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000529752320 1073745175 /nfs/dbraw/zinc/74/51/75/1073745175.db2.gz LOAZXRBTQIDRGD-SFHVURJKSA-N 1 2 397.497 -0.012 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000529752915 1073747717 /nfs/dbraw/zinc/74/77/17/1073747717.db2.gz PRMQQVVFCCODHI-GOSISDBHSA-N 1 2 376.413 -0.242 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000529752915 1073747705 /nfs/dbraw/zinc/74/77/05/1073747705.db2.gz PRMQQVVFCCODHI-GOSISDBHSA-N 1 2 376.413 -0.242 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000529752917 1073747738 /nfs/dbraw/zinc/74/77/38/1073747738.db2.gz PRMQQVVFCCODHI-SFHVURJKSA-N 1 2 376.413 -0.242 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000529752917 1073747730 /nfs/dbraw/zinc/74/77/30/1073747730.db2.gz PRMQQVVFCCODHI-SFHVURJKSA-N 1 2 376.413 -0.242 20 0 GBADLO Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1S(N)(=O)=O ZINC000529754074 1073747959 /nfs/dbraw/zinc/74/79/59/1073747959.db2.gz HIDFISGBEKBWOC-GOSISDBHSA-N 1 2 397.497 -0.012 20 0 GBADLO Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1S(N)(=O)=O ZINC000529754074 1073747951 /nfs/dbraw/zinc/74/79/51/1073747951.db2.gz HIDFISGBEKBWOC-GOSISDBHSA-N 1 2 397.497 -0.012 20 0 GBADLO Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1S(N)(=O)=O ZINC000529754076 1073747572 /nfs/dbraw/zinc/74/75/72/1073747572.db2.gz HIDFISGBEKBWOC-SFHVURJKSA-N 1 2 397.497 -0.012 20 0 GBADLO Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1S(N)(=O)=O ZINC000529754076 1073747567 /nfs/dbraw/zinc/74/75/67/1073747567.db2.gz HIDFISGBEKBWOC-SFHVURJKSA-N 1 2 397.497 -0.012 20 0 GBADLO Cn1cc(N2C[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cn1 ZINC000529754203 1073747994 /nfs/dbraw/zinc/74/79/94/1073747994.db2.gz UWZOKZKUHVUIPS-AUUYWEPGSA-N 1 2 391.472 -0.495 20 0 GBADLO Cn1cc(N2C[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cn1 ZINC000529754203 1073747985 /nfs/dbraw/zinc/74/79/85/1073747985.db2.gz UWZOKZKUHVUIPS-AUUYWEPGSA-N 1 2 391.472 -0.495 20 0 GBADLO Cn1cc(N2C[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cn1 ZINC000529754204 1073747597 /nfs/dbraw/zinc/74/75/97/1073747597.db2.gz UWZOKZKUHVUIPS-IFXJQAMLSA-N 1 2 391.472 -0.495 20 0 GBADLO Cn1cc(N2C[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cn1 ZINC000529754204 1073747584 /nfs/dbraw/zinc/74/75/84/1073747584.db2.gz UWZOKZKUHVUIPS-IFXJQAMLSA-N 1 2 391.472 -0.495 20 0 GBADLO Cn1cc(N2C[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cn1 ZINC000529754205 1073747913 /nfs/dbraw/zinc/74/79/13/1073747913.db2.gz UWZOKZKUHVUIPS-KUHUBIRLSA-N 1 2 391.472 -0.495 20 0 GBADLO Cn1cc(N2C[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cn1 ZINC000529754205 1073747909 /nfs/dbraw/zinc/74/79/09/1073747909.db2.gz UWZOKZKUHVUIPS-KUHUBIRLSA-N 1 2 391.472 -0.495 20 0 GBADLO Cn1cc(N2C[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)CC2=O)cn1 ZINC000529754206 1073747553 /nfs/dbraw/zinc/74/75/53/1073747553.db2.gz UWZOKZKUHVUIPS-LIRRHRJNSA-N 1 2 391.472 -0.495 20 0 GBADLO Cn1cc(N2C[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)CC2=O)cn1 ZINC000529754206 1073747546 /nfs/dbraw/zinc/74/75/46/1073747546.db2.gz UWZOKZKUHVUIPS-LIRRHRJNSA-N 1 2 391.472 -0.495 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000529754279 1073748018 /nfs/dbraw/zinc/74/80/18/1073748018.db2.gz TZCDJVCJLJUCJW-GOSISDBHSA-N 1 2 397.497 -0.179 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000529754279 1073748010 /nfs/dbraw/zinc/74/80/10/1073748010.db2.gz TZCDJVCJLJUCJW-GOSISDBHSA-N 1 2 397.497 -0.179 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000529754280 1073747864 /nfs/dbraw/zinc/74/78/64/1073747864.db2.gz TZCDJVCJLJUCJW-SFHVURJKSA-N 1 2 397.497 -0.179 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000529754280 1073747858 /nfs/dbraw/zinc/74/78/58/1073747858.db2.gz TZCDJVCJLJUCJW-SFHVURJKSA-N 1 2 397.497 -0.179 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000529754417 1073747614 /nfs/dbraw/zinc/74/76/14/1073747614.db2.gz JCDRGMBZRJTTOF-KRWDZBQOSA-N 1 2 383.470 -0.320 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000529754417 1073747610 /nfs/dbraw/zinc/74/76/10/1073747610.db2.gz JCDRGMBZRJTTOF-KRWDZBQOSA-N 1 2 383.470 -0.320 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000529754419 1073747527 /nfs/dbraw/zinc/74/75/27/1073747527.db2.gz JCDRGMBZRJTTOF-QGZVFWFLSA-N 1 2 383.470 -0.320 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000529754419 1073747517 /nfs/dbraw/zinc/74/75/17/1073747517.db2.gz JCDRGMBZRJTTOF-QGZVFWFLSA-N 1 2 383.470 -0.320 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC000529754423 1073748303 /nfs/dbraw/zinc/74/83/03/1073748303.db2.gz JDLDCCZLPXPOLR-IBGZPJMESA-N 1 2 377.441 -0.104 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC000529754423 1073748292 /nfs/dbraw/zinc/74/82/92/1073748292.db2.gz JDLDCCZLPXPOLR-IBGZPJMESA-N 1 2 377.441 -0.104 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC000529754425 1073747814 /nfs/dbraw/zinc/74/78/14/1073747814.db2.gz JDLDCCZLPXPOLR-LJQANCHMSA-N 1 2 377.441 -0.104 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC000529754425 1073747810 /nfs/dbraw/zinc/74/78/10/1073747810.db2.gz JDLDCCZLPXPOLR-LJQANCHMSA-N 1 2 377.441 -0.104 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC000529754452 1073748070 /nfs/dbraw/zinc/74/80/70/1073748070.db2.gz JJNSQGMKVRVQQO-GOSISDBHSA-N 1 2 397.497 -0.060 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC000529754452 1073748065 /nfs/dbraw/zinc/74/80/65/1073748065.db2.gz JJNSQGMKVRVQQO-GOSISDBHSA-N 1 2 397.497 -0.060 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC000529754460 1073747886 /nfs/dbraw/zinc/74/78/86/1073747886.db2.gz JJNSQGMKVRVQQO-SFHVURJKSA-N 1 2 397.497 -0.060 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC000529754460 1073747879 /nfs/dbraw/zinc/74/78/79/1073747879.db2.gz JJNSQGMKVRVQQO-SFHVURJKSA-N 1 2 397.497 -0.060 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000529755147 1073747835 /nfs/dbraw/zinc/74/78/35/1073747835.db2.gz ZMMMUDRVDSCSIT-GOSISDBHSA-N 1 2 388.428 -0.826 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000529755147 1073747831 /nfs/dbraw/zinc/74/78/31/1073747831.db2.gz ZMMMUDRVDSCSIT-GOSISDBHSA-N 1 2 388.428 -0.826 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000529755148 1073748396 /nfs/dbraw/zinc/74/83/96/1073748396.db2.gz ZMMMUDRVDSCSIT-SFHVURJKSA-N 1 2 388.428 -0.826 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000529755148 1073748391 /nfs/dbraw/zinc/74/83/91/1073748391.db2.gz ZMMMUDRVDSCSIT-SFHVURJKSA-N 1 2 388.428 -0.826 20 0 GBADLO Cn1c(=O)n2c(c1C(=O)NC[C@]1(CO)COCC3(CCC3)[N@H+]1C)CCCC2 ZINC000529755224 1073748327 /nfs/dbraw/zinc/74/83/27/1073748327.db2.gz YBINSALHWFQSSO-IBGZPJMESA-N 1 2 378.473 -0.131 20 0 GBADLO Cn1c(=O)n2c(c1C(=O)NC[C@]1(CO)COCC3(CCC3)[N@@H+]1C)CCCC2 ZINC000529755224 1073748322 /nfs/dbraw/zinc/74/83/22/1073748322.db2.gz YBINSALHWFQSSO-IBGZPJMESA-N 1 2 378.473 -0.131 20 0 GBADLO Cn1c(=O)n2c(c1C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@H+]1C)CCCC2 ZINC000529755225 1073748253 /nfs/dbraw/zinc/74/82/53/1073748253.db2.gz YBINSALHWFQSSO-LJQANCHMSA-N 1 2 378.473 -0.131 20 0 GBADLO Cn1c(=O)n2c(c1C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@@H+]1C)CCCC2 ZINC000529755225 1073748244 /nfs/dbraw/zinc/74/82/44/1073748244.db2.gz YBINSALHWFQSSO-LJQANCHMSA-N 1 2 378.473 -0.131 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529755348 1073747484 /nfs/dbraw/zinc/74/74/84/1073747484.db2.gz YJHWMHSDRCWJBS-INIZCTEOSA-N 1 2 386.474 -0.982 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529755348 1073747475 /nfs/dbraw/zinc/74/74/75/1073747475.db2.gz YJHWMHSDRCWJBS-INIZCTEOSA-N 1 2 386.474 -0.982 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529755349 1073747767 /nfs/dbraw/zinc/74/77/67/1073747767.db2.gz YJHWMHSDRCWJBS-MRXNPFEDSA-N 1 2 386.474 -0.982 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529755349 1073747760 /nfs/dbraw/zinc/74/77/60/1073747760.db2.gz YJHWMHSDRCWJBS-MRXNPFEDSA-N 1 2 386.474 -0.982 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000529755352 530470509 /nfs/dbraw/zinc/47/05/09/530470509.db2.gz YORFGTCLIYTYBO-HNNXBMFYSA-N 1 2 389.499 -0.259 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000529755352 530470507 /nfs/dbraw/zinc/47/05/07/530470507.db2.gz YORFGTCLIYTYBO-HNNXBMFYSA-N 1 2 389.499 -0.259 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000529755353 530470471 /nfs/dbraw/zinc/47/04/71/530470471.db2.gz YORFGTCLIYTYBO-OAHLLOKOSA-N 1 2 389.499 -0.259 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000529755353 530470469 /nfs/dbraw/zinc/47/04/69/530470469.db2.gz YORFGTCLIYTYBO-OAHLLOKOSA-N 1 2 389.499 -0.259 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000529755360 1073747457 /nfs/dbraw/zinc/74/74/57/1073747457.db2.gz YTQUSPULBVEEIN-GOSISDBHSA-N 1 2 397.497 -0.179 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000529755360 1073747444 /nfs/dbraw/zinc/74/74/44/1073747444.db2.gz YTQUSPULBVEEIN-GOSISDBHSA-N 1 2 397.497 -0.179 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000529755361 1073747929 /nfs/dbraw/zinc/74/79/29/1073747929.db2.gz YTQUSPULBVEEIN-SFHVURJKSA-N 1 2 397.497 -0.179 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000529755361 1073747926 /nfs/dbraw/zinc/74/79/26/1073747926.db2.gz YTQUSPULBVEEIN-SFHVURJKSA-N 1 2 397.497 -0.179 20 0 GBADLO CNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000529755495 1073748150 /nfs/dbraw/zinc/74/81/50/1073748150.db2.gz QHKBMHHOGBJBDC-GOSISDBHSA-N 1 2 397.497 -0.060 20 0 GBADLO CNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000529755495 1073748144 /nfs/dbraw/zinc/74/81/44/1073748144.db2.gz QHKBMHHOGBJBDC-GOSISDBHSA-N 1 2 397.497 -0.060 20 0 GBADLO CNS(=O)(=O)c1cccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000529755496 1073748231 /nfs/dbraw/zinc/74/82/31/1073748231.db2.gz QHKBMHHOGBJBDC-SFHVURJKSA-N 1 2 397.497 -0.060 20 0 GBADLO CNS(=O)(=O)c1cccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000529755496 1073748224 /nfs/dbraw/zinc/74/82/24/1073748224.db2.gz QHKBMHHOGBJBDC-SFHVURJKSA-N 1 2 397.497 -0.060 20 0 GBADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529755554 1073748043 /nfs/dbraw/zinc/74/80/43/1073748043.db2.gz RINJMDZKDVXKPR-GOSISDBHSA-N 1 2 397.497 -0.012 20 0 GBADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529755554 1073748037 /nfs/dbraw/zinc/74/80/37/1073748037.db2.gz RINJMDZKDVXKPR-GOSISDBHSA-N 1 2 397.497 -0.012 20 0 GBADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529755557 1073748422 /nfs/dbraw/zinc/74/84/22/1073748422.db2.gz RINJMDZKDVXKPR-SFHVURJKSA-N 1 2 397.497 -0.012 20 0 GBADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529755557 1073748413 /nfs/dbraw/zinc/74/84/13/1073748413.db2.gz RINJMDZKDVXKPR-SFHVURJKSA-N 1 2 397.497 -0.012 20 0 GBADLO COc1ccc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000529886228 1073754323 /nfs/dbraw/zinc/75/43/23/1073754323.db2.gz QBWRTXAVDCYXIL-INIZCTEOSA-N 1 2 376.457 -0.070 20 0 GBADLO COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000529886229 1073754503 /nfs/dbraw/zinc/75/45/03/1073754503.db2.gz QBWRTXAVDCYXIL-MRXNPFEDSA-N 1 2 376.457 -0.070 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000529915242 1073755714 /nfs/dbraw/zinc/75/57/14/1073755714.db2.gz PTLGEGWODYOEKJ-KRWDZBQOSA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000529915242 1073755707 /nfs/dbraw/zinc/75/57/07/1073755707.db2.gz PTLGEGWODYOEKJ-KRWDZBQOSA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000529915243 1073755374 /nfs/dbraw/zinc/75/53/74/1073755374.db2.gz PTLGEGWODYOEKJ-QGZVFWFLSA-N 1 2 380.489 -0.173 20 0 GBADLO CC(=O)NCC(=O)N1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000529915243 1073755366 /nfs/dbraw/zinc/75/53/66/1073755366.db2.gz PTLGEGWODYOEKJ-QGZVFWFLSA-N 1 2 380.489 -0.173 20 0 GBADLO O=C(N[C@@H]1Cc2ccccc2NC1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000529952283 1073756586 /nfs/dbraw/zinc/75/65/86/1073756586.db2.gz HPSBJXIIAMDCRK-DOTOQJQBSA-N 1 2 386.452 -0.153 20 0 GBADLO O=C(N[C@@H]1Cc2ccccc2NC1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000529952364 1073756252 /nfs/dbraw/zinc/75/62/52/1073756252.db2.gz HPSBJXIIAMDCRK-NVXWUHKLSA-N 1 2 386.452 -0.153 20 0 GBADLO O=C(N[C@H]1Cc2ccccc2NC1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000529952365 1073756563 /nfs/dbraw/zinc/75/65/63/1073756563.db2.gz HPSBJXIIAMDCRK-RDJZCZTQSA-N 1 2 386.452 -0.153 20 0 GBADLO O=C(N[C@H]1Cc2ccccc2NC1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000529952366 1073756406 /nfs/dbraw/zinc/75/64/06/1073756406.db2.gz HPSBJXIIAMDCRK-WBVHZDCISA-N 1 2 386.452 -0.153 20 0 GBADLO C[C@]1(CO)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@]1(C)CO ZINC000529966283 1073757209 /nfs/dbraw/zinc/75/72/09/1073757209.db2.gz PPISCMWQEQLVHQ-LZQZEXGQSA-N 1 2 383.489 -0.994 20 0 GBADLO C[C@]1(CO)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@]1(C)CO ZINC000529966284 1073757126 /nfs/dbraw/zinc/75/71/26/1073757126.db2.gz PPISCMWQEQLVHQ-ZYSHUDEJSA-N 1 2 383.489 -0.994 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000530058869 1073758307 /nfs/dbraw/zinc/75/83/07/1073758307.db2.gz UFSPRPABSSKOOH-OAGGEKHMSA-N 1 2 399.513 -0.655 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000530058872 1073758316 /nfs/dbraw/zinc/75/83/16/1073758316.db2.gz UFSPRPABSSKOOH-XHSDSOJGSA-N 1 2 399.513 -0.655 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530073917 1073759092 /nfs/dbraw/zinc/75/90/92/1073759092.db2.gz XNFFAKKELIDICH-STCSBWSLSA-N 1 2 383.514 -0.321 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530073923 1073759488 /nfs/dbraw/zinc/75/94/88/1073759488.db2.gz XNFFAKKELIDICH-UJFBQHMNSA-N 1 2 383.514 -0.321 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530073925 1073759228 /nfs/dbraw/zinc/75/92/28/1073759228.db2.gz XNFFAKKELIDICH-FFRFBZATSA-N 1 2 383.514 -0.321 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530073927 1073759426 /nfs/dbraw/zinc/75/94/26/1073759426.db2.gz XNFFAKKELIDICH-IWXCTRACSA-N 1 2 383.514 -0.321 20 0 GBADLO CC(C)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCCC1 ZINC000530086405 1073760463 /nfs/dbraw/zinc/76/04/63/1073760463.db2.gz QABIXZNHEXOFHQ-INIZCTEOSA-N 1 2 394.516 -0.068 20 0 GBADLO CC(C)(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCCC1 ZINC000530086406 1073760476 /nfs/dbraw/zinc/76/04/76/1073760476.db2.gz QABIXZNHEXOFHQ-MRXNPFEDSA-N 1 2 394.516 -0.068 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1nncs1 ZINC000530183155 530470969 /nfs/dbraw/zinc/47/09/69/530470969.db2.gz BJBIOTSVCXOXLI-UHFFFAOYSA-N 1 2 382.471 -0.185 20 0 GBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000530291545 1073767880 /nfs/dbraw/zinc/76/78/80/1073767880.db2.gz XWWDNEYGRCTLDC-PXAZEXFGSA-N 1 2 375.429 -0.070 20 0 GBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000530291546 1073767582 /nfs/dbraw/zinc/76/75/82/1073767582.db2.gz XWWDNEYGRCTLDC-SJCJKPOMSA-N 1 2 375.429 -0.070 20 0 GBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000530291547 1073767765 /nfs/dbraw/zinc/76/77/65/1073767765.db2.gz XWWDNEYGRCTLDC-SJKOYZFVSA-N 1 2 375.429 -0.070 20 0 GBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000530291548 1073767422 /nfs/dbraw/zinc/76/74/22/1073767422.db2.gz XWWDNEYGRCTLDC-YVEFUNNKSA-N 1 2 375.429 -0.070 20 0 GBADLO CN(CCN(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CC(F)F ZINC000530297197 1073767178 /nfs/dbraw/zinc/76/71/78/1073767178.db2.gz AVFDZXVMUJHWBR-AWEZNQCLSA-N 1 2 376.448 -0.178 20 0 GBADLO CN(CCN(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CC(F)F ZINC000530297198 1073767283 /nfs/dbraw/zinc/76/72/83/1073767283.db2.gz AVFDZXVMUJHWBR-CQSZACIVSA-N 1 2 376.448 -0.178 20 0 GBADLO C[C@@H]1C[C@H](O)CN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000530355918 1073769955 /nfs/dbraw/zinc/76/99/55/1073769955.db2.gz MVAKRLBQLCEPAK-CABCVRRESA-N 1 2 397.501 -0.302 20 0 GBADLO C[C@H]1C[C@H](O)CN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000530355919 1073769984 /nfs/dbraw/zinc/76/99/84/1073769984.db2.gz MVAKRLBQLCEPAK-GJZGRUSLSA-N 1 2 397.501 -0.302 20 0 GBADLO C[C@@H]1C[C@@H](O)CN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000530355920 1073770276 /nfs/dbraw/zinc/77/02/76/1073770276.db2.gz MVAKRLBQLCEPAK-HUUCEWRRSA-N 1 2 397.501 -0.302 20 0 GBADLO C[C@H]1C[C@@H](O)CN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000530355921 1073770246 /nfs/dbraw/zinc/77/02/46/1073770246.db2.gz MVAKRLBQLCEPAK-LSDHHAIUSA-N 1 2 397.501 -0.302 20 0 GBADLO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)CC1 ZINC000530428610 530331526 /nfs/dbraw/zinc/33/15/26/530331526.db2.gz YUDRUDJCPQOKDM-UHFFFAOYSA-N 1 2 388.471 -0.159 20 0 GBADLO CO[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000530460974 1073773145 /nfs/dbraw/zinc/77/31/45/1073773145.db2.gz DIBVVMCCTSYSLQ-CABCVRRESA-N 1 2 389.522 -0.627 20 0 GBADLO CO[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000530460975 1072150551 /nfs/dbraw/zinc/15/05/51/1072150551.db2.gz DIBVVMCCTSYSLQ-GJZGRUSLSA-N 1 2 389.522 -0.627 20 0 GBADLO CO[C@@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000530460976 1072150620 /nfs/dbraw/zinc/15/06/20/1072150620.db2.gz DIBVVMCCTSYSLQ-HUUCEWRRSA-N 1 2 389.522 -0.627 20 0 GBADLO CO[C@@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000530460977 1073772870 /nfs/dbraw/zinc/77/28/70/1073772870.db2.gz DIBVVMCCTSYSLQ-LSDHHAIUSA-N 1 2 389.522 -0.627 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1CC1 ZINC000530471457 1073773016 /nfs/dbraw/zinc/77/30/16/1073773016.db2.gz WLLBCRMRPDVKIR-UHFFFAOYSA-N 1 2 395.485 -0.824 20 0 GBADLO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000530481519 530073346 /nfs/dbraw/zinc/07/33/46/530073346.db2.gz XHMRZGPXQQOTTN-UHFFFAOYSA-N 1 2 378.520 -0.401 20 0 GBADLO CC[C@H]1C[N@@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000530531426 530077202 /nfs/dbraw/zinc/07/72/02/530077202.db2.gz HUIJOFRLOYWIPU-HNNXBMFYSA-N 1 2 397.563 -0.312 20 0 GBADLO CC[C@H]1C[N@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000530531426 530077199 /nfs/dbraw/zinc/07/71/99/530077199.db2.gz HUIJOFRLOYWIPU-HNNXBMFYSA-N 1 2 397.563 -0.312 20 0 GBADLO CC[C@@H]1C[N@@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000530531434 530076987 /nfs/dbraw/zinc/07/69/87/530076987.db2.gz HUIJOFRLOYWIPU-OAHLLOKOSA-N 1 2 397.563 -0.312 20 0 GBADLO CC[C@@H]1C[N@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000530531434 530076986 /nfs/dbraw/zinc/07/69/86/530076986.db2.gz HUIJOFRLOYWIPU-OAHLLOKOSA-N 1 2 397.563 -0.312 20 0 GBADLO O=C([C@H](O)C1CCOCC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000530583830 1073776296 /nfs/dbraw/zinc/77/62/96/1073776296.db2.gz UEANAABIBUXMOG-GOSISDBHSA-N 1 2 391.472 -0.251 20 0 GBADLO O=C([C@H](O)C1CCOCC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000530583830 1073776292 /nfs/dbraw/zinc/77/62/92/1073776292.db2.gz UEANAABIBUXMOG-GOSISDBHSA-N 1 2 391.472 -0.251 20 0 GBADLO C[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000530675695 1073778876 /nfs/dbraw/zinc/77/88/76/1073778876.db2.gz SENSUGRHSUBYOO-BZUAXINKSA-N 1 2 388.472 -0.014 20 0 GBADLO C[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000530675718 1073778710 /nfs/dbraw/zinc/77/87/10/1073778710.db2.gz SENSUGRHSUBYOO-HRCADAONSA-N 1 2 388.472 -0.014 20 0 GBADLO C[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000530675719 1073778852 /nfs/dbraw/zinc/77/88/52/1073778852.db2.gz SENSUGRHSUBYOO-OAGGEKHMSA-N 1 2 388.472 -0.014 20 0 GBADLO C[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000530675720 1073778827 /nfs/dbraw/zinc/77/88/27/1073778827.db2.gz SENSUGRHSUBYOO-PMPSAXMXSA-N 1 2 388.472 -0.014 20 0 GBADLO O=C(c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000530675841 1073778759 /nfs/dbraw/zinc/77/87/59/1073778759.db2.gz SVWMMNUEVDWTFM-KRWDZBQOSA-N 1 2 396.451 -0.059 20 0 GBADLO O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000530675844 1073778888 /nfs/dbraw/zinc/77/88/88/1073778888.db2.gz SVWMMNUEVDWTFM-QGZVFWFLSA-N 1 2 396.451 -0.059 20 0 GBADLO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC[NH+](CCn2cncn2)CC1 ZINC000530680313 1073779002 /nfs/dbraw/zinc/77/90/02/1073779002.db2.gz QFOQQDCFOMFGIX-UHFFFAOYSA-N 1 2 383.412 -0.462 20 0 GBADLO O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000530680586 1073778975 /nfs/dbraw/zinc/77/89/75/1073778975.db2.gz ZYBZQXXMCBOONI-GOSISDBHSA-N 1 2 398.467 -0.150 20 0 GBADLO O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000530680588 1073779023 /nfs/dbraw/zinc/77/90/23/1073779023.db2.gz ZYBZQXXMCBOONI-SFHVURJKSA-N 1 2 398.467 -0.150 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000530703287 1073779701 /nfs/dbraw/zinc/77/97/01/1073779701.db2.gz DYLITYHCGXQGOD-UHFFFAOYSA-N 1 2 391.453 -0.053 20 0 GBADLO CC(C)(C(N)=O)N1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000530712554 1073779667 /nfs/dbraw/zinc/77/96/67/1073779667.db2.gz IBZOFGZRTIUSPK-GOSISDBHSA-N 1 2 399.561 -0.215 20 0 GBADLO CC(C)(C(N)=O)N1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000530712556 1073779991 /nfs/dbraw/zinc/77/99/91/1073779991.db2.gz IBZOFGZRTIUSPK-SFHVURJKSA-N 1 2 399.561 -0.215 20 0 GBADLO O=C(Cc1ccon1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000530811662 1073783408 /nfs/dbraw/zinc/78/34/08/1073783408.db2.gz QGYOYKDVFPISAC-UHFFFAOYSA-N 1 2 379.442 -0.120 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000530812261 1073783594 /nfs/dbraw/zinc/78/35/94/1073783594.db2.gz DNRVTTSEOWOUPI-UHFFFAOYSA-N 1 2 399.517 -0.288 20 0 GBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC(n3cc[nH+]c3)C2)s1 ZINC000530824388 1073784567 /nfs/dbraw/zinc/78/45/67/1073784567.db2.gz HJAIXZTWFJHAOO-UHFFFAOYSA-N 1 2 397.482 -0.058 20 0 GBADLO O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000530845907 1073784288 /nfs/dbraw/zinc/78/42/88/1073784288.db2.gz UQYPEBIIOYSMOK-UHFFFAOYSA-N 1 2 385.424 -0.017 20 0 GBADLO CN(CC(=O)N1CCOCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000530866334 1073785740 /nfs/dbraw/zinc/78/57/40/1073785740.db2.gz IADPCCYPXXDIAX-UHFFFAOYSA-N 1 2 380.449 -0.462 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000530867805 1073785612 /nfs/dbraw/zinc/78/56/12/1073785612.db2.gz OJNOKMJNXWMZMW-AWEZNQCLSA-N 1 2 380.449 -0.416 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000530867805 1073785605 /nfs/dbraw/zinc/78/56/05/1073785605.db2.gz OJNOKMJNXWMZMW-AWEZNQCLSA-N 1 2 380.449 -0.416 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000530867806 1073785870 /nfs/dbraw/zinc/78/58/70/1073785870.db2.gz OJNOKMJNXWMZMW-CQSZACIVSA-N 1 2 380.449 -0.416 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000530867806 1073785859 /nfs/dbraw/zinc/78/58/59/1073785859.db2.gz OJNOKMJNXWMZMW-CQSZACIVSA-N 1 2 380.449 -0.416 20 0 GBADLO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000530914003 1073787094 /nfs/dbraw/zinc/78/70/94/1073787094.db2.gz CVBNARDGBQMZKG-UHFFFAOYSA-N 1 2 375.433 -0.713 20 0 GBADLO C[C@@]1(c2ccc(C(=O)N3CC[NH+](CCn4cncn4)CC3)cc2)NC(=O)NC1=O ZINC000530914025 1073787441 /nfs/dbraw/zinc/78/74/41/1073787441.db2.gz DXOILGHUUBCBGT-IBGZPJMESA-N 1 2 397.439 -0.209 20 0 GBADLO C[C@]1(c2ccc(C(=O)N3CC[NH+](CCn4cncn4)CC3)cc2)NC(=O)NC1=O ZINC000530914033 1073787061 /nfs/dbraw/zinc/78/70/61/1073787061.db2.gz DXOILGHUUBCBGT-LJQANCHMSA-N 1 2 397.439 -0.209 20 0 GBADLO CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000530957933 1073788036 /nfs/dbraw/zinc/78/80/36/1073788036.db2.gz QSEXCABOLCLKQH-AWEZNQCLSA-N 1 2 385.486 -0.332 20 0 GBADLO CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000530957934 1073788186 /nfs/dbraw/zinc/78/81/86/1073788186.db2.gz QSEXCABOLCLKQH-CQSZACIVSA-N 1 2 385.486 -0.332 20 0 GBADLO C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000530958068 1073788683 /nfs/dbraw/zinc/78/86/83/1073788683.db2.gz IWNSMUTYWAURJZ-FPCVCCKLSA-N 1 2 381.473 -0.298 20 0 GBADLO C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000530958070 1073788257 /nfs/dbraw/zinc/78/82/57/1073788257.db2.gz IWNSMUTYWAURJZ-QKPAOTATSA-N 1 2 381.473 -0.298 20 0 GBADLO C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000530958071 1073788463 /nfs/dbraw/zinc/78/84/63/1073788463.db2.gz IWNSMUTYWAURJZ-QXSJWSMHSA-N 1 2 381.473 -0.298 20 0 GBADLO C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000530958072 1073788168 /nfs/dbraw/zinc/78/81/68/1073788168.db2.gz IWNSMUTYWAURJZ-UGUYLWEFSA-N 1 2 381.473 -0.298 20 0 GBADLO C[C@@H](NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N(C)C ZINC000530989972 1073790196 /nfs/dbraw/zinc/79/01/96/1073790196.db2.gz RWWVQDULVVHBEQ-CQSZACIVSA-N 1 2 376.461 -0.104 20 0 GBADLO CO[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000530991938 1073790051 /nfs/dbraw/zinc/79/00/51/1073790051.db2.gz UMSPWNHGMLAWHF-HNNXBMFYSA-N 1 2 397.501 -0.036 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000531006364 1072282650 /nfs/dbraw/zinc/28/26/50/1072282650.db2.gz SRLWYKQEONNGSD-HNNXBMFYSA-N 1 2 397.501 -0.182 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000531006364 1072282641 /nfs/dbraw/zinc/28/26/41/1072282641.db2.gz SRLWYKQEONNGSD-HNNXBMFYSA-N 1 2 397.501 -0.182 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000531006365 1073790369 /nfs/dbraw/zinc/79/03/69/1073790369.db2.gz SRLWYKQEONNGSD-OAHLLOKOSA-N 1 2 397.501 -0.182 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000531006365 1073790361 /nfs/dbraw/zinc/79/03/61/1073790361.db2.gz SRLWYKQEONNGSD-OAHLLOKOSA-N 1 2 397.501 -0.182 20 0 GBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cn1 ZINC000531019365 1073790303 /nfs/dbraw/zinc/79/03/03/1073790303.db2.gz DCXLSNOMLKHKLU-UHFFFAOYSA-N 1 2 393.469 -0.252 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1(O)CCCC1 ZINC000531020606 1073790338 /nfs/dbraw/zinc/79/03/38/1073790338.db2.gz GQSFTWRIWWSDFD-UHFFFAOYSA-N 1 2 382.486 -0.045 20 0 GBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000531053569 1073792539 /nfs/dbraw/zinc/79/25/39/1073792539.db2.gz ZUXKAACPILGKIH-KRWDZBQOSA-N 1 2 388.468 -0.014 20 0 GBADLO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000531053570 1073792145 /nfs/dbraw/zinc/79/21/45/1073792145.db2.gz ZUXKAACPILGKIH-QGZVFWFLSA-N 1 2 388.468 -0.014 20 0 GBADLO O=S(=O)(CC1CC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531117907 530108707 /nfs/dbraw/zinc/10/87/07/530108707.db2.gz RKHFTVGDZFHRDA-UHFFFAOYSA-N 1 2 388.515 -0.137 20 0 GBADLO O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000531152836 1073794630 /nfs/dbraw/zinc/79/46/30/1073794630.db2.gz TVBPUZDWSIRNRC-UHFFFAOYSA-N 1 2 389.460 -0.323 20 0 GBADLO CC(C)(C(N)=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000531187639 1073795642 /nfs/dbraw/zinc/79/56/42/1073795642.db2.gz HXOZHWANBUEKCU-UHFFFAOYSA-N 1 2 393.492 -0.371 20 0 GBADLO COCCOc1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000531202290 1073796336 /nfs/dbraw/zinc/79/63/36/1073796336.db2.gz XIRDKWXOEWFFJN-INIZCTEOSA-N 1 2 382.461 -0.059 20 0 GBADLO COCCOc1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000531202302 1073796235 /nfs/dbraw/zinc/79/62/35/1073796235.db2.gz XIRDKWXOEWFFJN-MRXNPFEDSA-N 1 2 382.461 -0.059 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000531245278 1073798949 /nfs/dbraw/zinc/79/89/49/1073798949.db2.gz GPALUNBLBXAHRW-AWEZNQCLSA-N 1 2 376.461 -0.267 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000531245278 1073798944 /nfs/dbraw/zinc/79/89/44/1073798944.db2.gz GPALUNBLBXAHRW-AWEZNQCLSA-N 1 2 376.461 -0.267 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000531245279 1073798935 /nfs/dbraw/zinc/79/89/35/1073798935.db2.gz GPALUNBLBXAHRW-CQSZACIVSA-N 1 2 376.461 -0.267 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000531245279 1073798931 /nfs/dbraw/zinc/79/89/31/1073798931.db2.gz GPALUNBLBXAHRW-CQSZACIVSA-N 1 2 376.461 -0.267 20 0 GBADLO Cc1ccn2cc(CNS(=O)(=O)N3CCN(S(C)(=O)=O)CC3)[nH+]c2c1 ZINC000531251559 530160642 /nfs/dbraw/zinc/16/06/42/530160642.db2.gz PFVLAIULKDXBLC-UHFFFAOYSA-N 1 2 387.487 -0.446 20 0 GBADLO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000531252093 1073799904 /nfs/dbraw/zinc/79/99/04/1073799904.db2.gz GRMZBEQHJSHZSS-UHFFFAOYSA-N 1 2 384.502 -0.489 20 0 GBADLO COC[C@](C)(O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531259969 1073799504 /nfs/dbraw/zinc/79/95/04/1073799504.db2.gz KFSIVRVENWNMIO-INIZCTEOSA-N 1 2 386.474 -0.953 20 0 GBADLO COC[C@@](C)(O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531259970 1073799705 /nfs/dbraw/zinc/79/97/05/1073799705.db2.gz KFSIVRVENWNMIO-MRXNPFEDSA-N 1 2 386.474 -0.953 20 0 GBADLO CCN(CC)S(=O)(=O)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000531282259 1073800530 /nfs/dbraw/zinc/80/05/30/1073800530.db2.gz CCLKIBZTAYXSJA-UHFFFAOYSA-N 1 2 395.489 -0.317 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000531342453 1073804544 /nfs/dbraw/zinc/80/45/44/1073804544.db2.gz VDJDELVVUIPJFP-DLBZAZTESA-N 1 2 394.534 -0.085 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000531342454 1073804473 /nfs/dbraw/zinc/80/44/73/1073804473.db2.gz VDJDELVVUIPJFP-IAGOWNOFSA-N 1 2 394.534 -0.085 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000531342455 1073804511 /nfs/dbraw/zinc/80/45/11/1073804511.db2.gz VDJDELVVUIPJFP-IRXDYDNUSA-N 1 2 394.534 -0.085 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000531342456 1073803786 /nfs/dbraw/zinc/80/37/86/1073803786.db2.gz VDJDELVVUIPJFP-SJORKVTESA-N 1 2 394.534 -0.085 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000531344599 1073803699 /nfs/dbraw/zinc/80/36/99/1073803699.db2.gz BSYONEQMAIMEAG-HNNXBMFYSA-N 1 2 393.492 -0.501 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000531344601 1073804000 /nfs/dbraw/zinc/80/40/00/1073804000.db2.gz BSYONEQMAIMEAG-OAHLLOKOSA-N 1 2 393.492 -0.501 20 0 GBADLO NC(=O)C1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000531349174 1073804281 /nfs/dbraw/zinc/80/42/81/1073804281.db2.gz YDZSANMZGXLHRX-UHFFFAOYSA-N 1 2 395.485 -0.695 20 0 GBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000531402193 1073492876 /nfs/dbraw/zinc/49/28/76/1073492876.db2.gz IJGIKTHKGGVJGF-AWEZNQCLSA-N 1 2 384.506 -0.840 20 0 GBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000531402194 1073807708 /nfs/dbraw/zinc/80/77/08/1073807708.db2.gz IJGIKTHKGGVJGF-CQSZACIVSA-N 1 2 384.506 -0.840 20 0 GBADLO CC(C)(C)NS(=O)(=O)CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000531428206 530176490 /nfs/dbraw/zinc/17/64/90/530176490.db2.gz FHCNNHGQYBCCAO-UHFFFAOYSA-N 1 2 377.511 -0.705 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000531435068 1073808405 /nfs/dbraw/zinc/80/84/05/1073808405.db2.gz AOXVQIFAONLQNK-BEFAXECRSA-N 1 2 390.440 -0.494 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000531435070 1073808484 /nfs/dbraw/zinc/80/84/84/1073808484.db2.gz AOXVQIFAONLQNK-DNVCBOLYSA-N 1 2 390.440 -0.494 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000531435072 1073808796 /nfs/dbraw/zinc/80/87/96/1073808796.db2.gz AOXVQIFAONLQNK-HNAYVOBHSA-N 1 2 390.440 -0.494 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000531435073 1073808090 /nfs/dbraw/zinc/80/80/90/1073808090.db2.gz AOXVQIFAONLQNK-KXBFYZLASA-N 1 2 390.440 -0.494 20 0 GBADLO Cn1c(=O)[nH]cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1=O ZINC000531438726 1073808174 /nfs/dbraw/zinc/80/81/74/1073808174.db2.gz LOFONHCKIBTRKL-UHFFFAOYSA-N 1 2 386.412 -0.650 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000531439093 530177454 /nfs/dbraw/zinc/17/74/54/530177454.db2.gz JKRNVIQUKYJHDU-ILXRZTDVSA-N 1 2 377.507 -0.323 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000531439108 530177552 /nfs/dbraw/zinc/17/75/52/530177552.db2.gz JKRNVIQUKYJHDU-KKUMJFAQSA-N 1 2 377.507 -0.323 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000531439109 530177827 /nfs/dbraw/zinc/17/78/27/530177827.db2.gz JKRNVIQUKYJHDU-QLFBSQMISA-N 1 2 377.507 -0.323 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000531439110 530177701 /nfs/dbraw/zinc/17/77/01/530177701.db2.gz JKRNVIQUKYJHDU-SOUVJXGZSA-N 1 2 377.507 -0.323 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000531441613 530178011 /nfs/dbraw/zinc/17/80/11/530178011.db2.gz JEPMHMBAFZSVCA-CYBMUJFWSA-N 1 2 380.511 -0.961 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000531441614 530177996 /nfs/dbraw/zinc/17/79/96/530177996.db2.gz JEPMHMBAFZSVCA-ZDUSSCGKSA-N 1 2 380.511 -0.961 20 0 GBADLO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C(=O)N(C)C ZINC000531447739 1073808150 /nfs/dbraw/zinc/80/81/50/1073808150.db2.gz KKTMXVNKNSIYOY-CQSZACIVSA-N 1 2 375.473 -0.035 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000531481150 1073809567 /nfs/dbraw/zinc/80/95/67/1073809567.db2.gz NHSYEICYEVXYCZ-CYBMUJFWSA-N 1 2 390.506 -0.910 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000531481150 1073809554 /nfs/dbraw/zinc/80/95/54/1073809554.db2.gz NHSYEICYEVXYCZ-CYBMUJFWSA-N 1 2 390.506 -0.910 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000531481151 1073809201 /nfs/dbraw/zinc/80/92/01/1073809201.db2.gz NHSYEICYEVXYCZ-ZDUSSCGKSA-N 1 2 390.506 -0.910 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000531481151 1073809190 /nfs/dbraw/zinc/80/91/90/1073809190.db2.gz NHSYEICYEVXYCZ-ZDUSSCGKSA-N 1 2 390.506 -0.910 20 0 GBADLO Cc1cc(C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)n1C ZINC000531494555 1073810471 /nfs/dbraw/zinc/81/04/71/1073810471.db2.gz MODKYOVACMQCLZ-UHFFFAOYSA-N 1 2 397.545 -0.066 20 0 GBADLO COC[C@@](C)(O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000531496577 1073810390 /nfs/dbraw/zinc/81/03/90/1073810390.db2.gz IRHPGQDZKDEAPU-KBXCAEBGSA-N 1 2 379.461 -0.204 20 0 GBADLO COC[C@@](C)(O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000531496577 1073810378 /nfs/dbraw/zinc/81/03/78/1073810378.db2.gz IRHPGQDZKDEAPU-KBXCAEBGSA-N 1 2 379.461 -0.204 20 0 GBADLO COC[C@](C)(O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000531496583 1073810271 /nfs/dbraw/zinc/81/02/71/1073810271.db2.gz IRHPGQDZKDEAPU-KDOFPFPSSA-N 1 2 379.461 -0.204 20 0 GBADLO COC[C@](C)(O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000531496583 1073810258 /nfs/dbraw/zinc/81/02/58/1073810258.db2.gz IRHPGQDZKDEAPU-KDOFPFPSSA-N 1 2 379.461 -0.204 20 0 GBADLO COC[C@](C)(O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000531496585 1073810566 /nfs/dbraw/zinc/81/05/66/1073810566.db2.gz IRHPGQDZKDEAPU-KSSFIOAISA-N 1 2 379.461 -0.204 20 0 GBADLO COC[C@](C)(O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000531496585 1073810558 /nfs/dbraw/zinc/81/05/58/1073810558.db2.gz IRHPGQDZKDEAPU-KSSFIOAISA-N 1 2 379.461 -0.204 20 0 GBADLO COC[C@@](C)(O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000531496587 1073810105 /nfs/dbraw/zinc/81/01/05/1073810105.db2.gz IRHPGQDZKDEAPU-RDTXWAMCSA-N 1 2 379.461 -0.204 20 0 GBADLO COC[C@@](C)(O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000531496587 1073810096 /nfs/dbraw/zinc/81/00/96/1073810096.db2.gz IRHPGQDZKDEAPU-RDTXWAMCSA-N 1 2 379.461 -0.204 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000531552257 1073812789 /nfs/dbraw/zinc/81/27/89/1073812789.db2.gz DMYCOPUSCFAUJJ-INIZCTEOSA-N 1 2 397.497 -0.149 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000531552259 1073811968 /nfs/dbraw/zinc/81/19/68/1073811968.db2.gz DMYCOPUSCFAUJJ-MRXNPFEDSA-N 1 2 397.497 -0.149 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCNC(=O)C1 ZINC000531599069 1073814854 /nfs/dbraw/zinc/81/48/54/1073814854.db2.gz QSMFZRHSZUIWJC-AWEZNQCLSA-N 1 2 395.485 -0.824 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCNC(=O)C1 ZINC000531599075 1073814897 /nfs/dbraw/zinc/81/48/97/1073814897.db2.gz QSMFZRHSZUIWJC-CQSZACIVSA-N 1 2 395.485 -0.824 20 0 GBADLO CCOCCS(=O)(=O)NCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000531816066 530205578 /nfs/dbraw/zinc/20/55/78/530205578.db2.gz JGYRUJMVYABYOT-UHFFFAOYSA-N 1 2 377.467 -0.562 20 0 GBADLO CN(CC[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000531842137 1073820099 /nfs/dbraw/zinc/82/00/99/1073820099.db2.gz KTAYNSZLOAHOLL-UHFFFAOYSA-N 1 2 383.470 -0.214 20 0 GBADLO C[C@H]([C@H](C)NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000531886878 1073822637 /nfs/dbraw/zinc/82/26/37/1073822637.db2.gz CVYBSMJLYVGKFD-DLBZAZTESA-N 1 2 397.520 -0.718 20 0 GBADLO C[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000531886879 1073822184 /nfs/dbraw/zinc/82/21/84/1073822184.db2.gz CVYBSMJLYVGKFD-IAGOWNOFSA-N 1 2 397.520 -0.718 20 0 GBADLO C[C@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000531886880 1073822586 /nfs/dbraw/zinc/82/25/86/1073822586.db2.gz CVYBSMJLYVGKFD-IRXDYDNUSA-N 1 2 397.520 -0.718 20 0 GBADLO C[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000531886881 1073822851 /nfs/dbraw/zinc/82/28/51/1073822851.db2.gz CVYBSMJLYVGKFD-SJORKVTESA-N 1 2 397.520 -0.718 20 0 GBADLO O=C(CCNC(=O)N[C@@H]1CC[S@@](=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000531887003 1073822662 /nfs/dbraw/zinc/82/26/62/1073822662.db2.gz ZQTHRXHGIGYYIV-IYJVBRSBSA-N 1 2 379.486 -0.060 20 0 GBADLO O=C(CCNC(=O)N[C@@H]1CC[S@](=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000531887004 1073822715 /nfs/dbraw/zinc/82/27/15/1073822715.db2.gz ZQTHRXHGIGYYIV-PTFIGZPYSA-N 1 2 379.486 -0.060 20 0 GBADLO O=C(CCNC(=O)N[C@H]1CC[S@@](=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000531887005 1073822429 /nfs/dbraw/zinc/82/24/29/1073822429.db2.gz ZQTHRXHGIGYYIV-RMKBEBRYSA-N 1 2 379.486 -0.060 20 0 GBADLO O=C(CCNC(=O)N[C@H]1CC[S@](=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000531887006 1073822830 /nfs/dbraw/zinc/82/28/30/1073822830.db2.gz ZQTHRXHGIGYYIV-RXBISOJRSA-N 1 2 379.486 -0.060 20 0 GBADLO O=C(NC[C@@H](O)COc1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000531892025 1073823940 /nfs/dbraw/zinc/82/39/40/1073823940.db2.gz FBCLKIITNYUXBJ-DLBZAZTESA-N 1 2 391.468 -0.277 20 0 GBADLO O=C(NC[C@@H](O)COc1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000531892026 1073823167 /nfs/dbraw/zinc/82/31/67/1073823167.db2.gz FBCLKIITNYUXBJ-IAGOWNOFSA-N 1 2 391.468 -0.277 20 0 GBADLO O=C(NC[C@H](O)COc1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000531892027 1073823335 /nfs/dbraw/zinc/82/33/35/1073823335.db2.gz FBCLKIITNYUXBJ-IRXDYDNUSA-N 1 2 391.468 -0.277 20 0 GBADLO O=C(NC[C@H](O)COc1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000531892028 1073823781 /nfs/dbraw/zinc/82/37/81/1073823781.db2.gz FBCLKIITNYUXBJ-SJORKVTESA-N 1 2 391.468 -0.277 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531898969 1073823317 /nfs/dbraw/zinc/82/33/17/1073823317.db2.gz FIUZXGRAYCKTJV-LLVKDONJSA-N 1 2 377.426 -0.268 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531898970 1073823968 /nfs/dbraw/zinc/82/39/68/1073823968.db2.gz FIUZXGRAYCKTJV-NSHDSACASA-N 1 2 377.426 -0.268 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H]1C(=O)N(C)C)S(C)(=O)=O ZINC000531901904 530268672 /nfs/dbraw/zinc/26/86/72/530268672.db2.gz OMKVDSHVELUVRC-AWEZNQCLSA-N 1 2 376.523 -0.285 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C)S(C)(=O)=O ZINC000531901904 530268670 /nfs/dbraw/zinc/26/86/70/530268670.db2.gz OMKVDSHVELUVRC-AWEZNQCLSA-N 1 2 376.523 -0.285 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+](C)CCN1CCCC1=O)S(C)(=O)=O ZINC000531905265 530268648 /nfs/dbraw/zinc/26/86/48/530268648.db2.gz GUEIOPKILBPNQJ-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+](C)CCN1CCCC1=O)S(C)(=O)=O ZINC000531905265 530268647 /nfs/dbraw/zinc/26/86/47/530268647.db2.gz GUEIOPKILBPNQJ-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO O=C(NCc1ccc(OCCO)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000531906704 1073823738 /nfs/dbraw/zinc/82/37/38/1073823738.db2.gz RWPXKQWRMIHEHK-KRWDZBQOSA-N 1 2 391.468 -0.145 20 0 GBADLO O=C(NCc1ccc(OCCO)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000531906705 1073823821 /nfs/dbraw/zinc/82/38/21/1073823821.db2.gz RWPXKQWRMIHEHK-QGZVFWFLSA-N 1 2 391.468 -0.145 20 0 GBADLO C[C@@]1(c2cccc(C(=O)N3CC[NH+](CCn4cncn4)CC3)c2)NC(=O)NC1=O ZINC000532025108 1073825675 /nfs/dbraw/zinc/82/56/75/1073825675.db2.gz CWQHTAAKEJUOCJ-IBGZPJMESA-N 1 2 397.439 -0.209 20 0 GBADLO C[C@]1(c2cccc(C(=O)N3CC[NH+](CCn4cncn4)CC3)c2)NC(=O)NC1=O ZINC000532025109 1073825702 /nfs/dbraw/zinc/82/57/02/1073825702.db2.gz CWQHTAAKEJUOCJ-LJQANCHMSA-N 1 2 397.439 -0.209 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCS3)CC2)CC1 ZINC000532048634 530270810 /nfs/dbraw/zinc/27/08/10/530270810.db2.gz IUDNVHQSYAYNAI-AWEZNQCLSA-N 1 2 391.563 -0.299 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCCS3)CC2)CC1 ZINC000532048635 530270654 /nfs/dbraw/zinc/27/06/54/530270654.db2.gz IUDNVHQSYAYNAI-CQSZACIVSA-N 1 2 391.563 -0.299 20 0 GBADLO O=C(CCNC(=O)c1ccc2nnnn2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000532065400 1073826817 /nfs/dbraw/zinc/82/68/17/1073826817.db2.gz CCHDFGIKQGNYDO-UHFFFAOYSA-N 1 2 380.412 -0.012 20 0 GBADLO CCOCCS(=O)(=O)NCC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000532067320 530272480 /nfs/dbraw/zinc/27/24/80/530272480.db2.gz BQYQEOYEPPOJQK-HNNXBMFYSA-N 1 2 376.523 -0.819 20 0 GBADLO CCOCCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000532067321 530272623 /nfs/dbraw/zinc/27/26/23/530272623.db2.gz BQYQEOYEPPOJQK-OAHLLOKOSA-N 1 2 376.523 -0.819 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000532098450 1073827655 /nfs/dbraw/zinc/82/76/55/1073827655.db2.gz KNFKQGKSKWVVAH-CYBMUJFWSA-N 1 2 383.470 -0.168 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000532098450 1073827641 /nfs/dbraw/zinc/82/76/41/1073827641.db2.gz KNFKQGKSKWVVAH-CYBMUJFWSA-N 1 2 383.470 -0.168 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000532098451 1073827883 /nfs/dbraw/zinc/82/78/83/1073827883.db2.gz KNFKQGKSKWVVAH-ZDUSSCGKSA-N 1 2 383.470 -0.168 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000532098451 1073827870 /nfs/dbraw/zinc/82/78/70/1073827870.db2.gz KNFKQGKSKWVVAH-ZDUSSCGKSA-N 1 2 383.470 -0.168 20 0 GBADLO O=C(CN1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1)N1CCOCC1 ZINC000532142206 1073831751 /nfs/dbraw/zinc/83/17/51/1073831751.db2.gz QJPWSIJRZDQRCU-UHFFFAOYSA-N 1 2 378.477 -0.151 20 0 GBADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000532142966 1073830216 /nfs/dbraw/zinc/83/02/16/1073830216.db2.gz HWZAYCCPGZVLSN-UHFFFAOYSA-N 1 2 397.520 -0.717 20 0 GBADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000532142966 1073830209 /nfs/dbraw/zinc/83/02/09/1073830209.db2.gz HWZAYCCPGZVLSN-UHFFFAOYSA-N 1 2 397.520 -0.717 20 0 GBADLO CC(C)(CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000532143612 1073829982 /nfs/dbraw/zinc/82/99/82/1073829982.db2.gz NDXAKORATQOHHB-UHFFFAOYSA-N 1 2 397.520 -0.717 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CCO1 ZINC000532210097 1073832623 /nfs/dbraw/zinc/83/26/23/1073832623.db2.gz DJGVLWBAIKEOSL-INIZCTEOSA-N 1 2 390.488 -0.258 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CCO1 ZINC000532210097 1073832614 /nfs/dbraw/zinc/83/26/14/1073832614.db2.gz DJGVLWBAIKEOSL-INIZCTEOSA-N 1 2 390.488 -0.258 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CCO1 ZINC000532210098 1073832908 /nfs/dbraw/zinc/83/29/08/1073832908.db2.gz DJGVLWBAIKEOSL-MRXNPFEDSA-N 1 2 390.488 -0.258 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CCO1 ZINC000532210098 1073832895 /nfs/dbraw/zinc/83/28/95/1073832895.db2.gz DJGVLWBAIKEOSL-MRXNPFEDSA-N 1 2 390.488 -0.258 20 0 GBADLO Cn1cnc(CCNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000532292243 1073834609 /nfs/dbraw/zinc/83/46/09/1073834609.db2.gz FJXFRBVIOGOFRZ-UHFFFAOYSA-N 1 2 386.460 -0.209 20 0 GBADLO O=C(c1ccc2nnnn2c1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000532343583 1073837748 /nfs/dbraw/zinc/83/77/48/1073837748.db2.gz RRBGERZHRGIFMV-UHFFFAOYSA-N 1 2 395.427 -0.287 20 0 GBADLO O=C(c1ccc2nnnn2c1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000532343583 1073837742 /nfs/dbraw/zinc/83/77/42/1073837742.db2.gz RRBGERZHRGIFMV-UHFFFAOYSA-N 1 2 395.427 -0.287 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CCO1 ZINC000532352599 1073837838 /nfs/dbraw/zinc/83/78/38/1073837838.db2.gz VLCHGEQQXWCMSG-CYBMUJFWSA-N 1 2 383.470 -0.168 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CCO1 ZINC000532352599 1073837824 /nfs/dbraw/zinc/83/78/24/1073837824.db2.gz VLCHGEQQXWCMSG-CYBMUJFWSA-N 1 2 383.470 -0.168 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CCO1 ZINC000532352600 1073837638 /nfs/dbraw/zinc/83/76/38/1073837638.db2.gz VLCHGEQQXWCMSG-ZDUSSCGKSA-N 1 2 383.470 -0.168 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CCO1 ZINC000532352600 1073837632 /nfs/dbraw/zinc/83/76/32/1073837632.db2.gz VLCHGEQQXWCMSG-ZDUSSCGKSA-N 1 2 383.470 -0.168 20 0 GBADLO CS(=O)(=O)N1CCN(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000532357182 1073836919 /nfs/dbraw/zinc/83/69/19/1073836919.db2.gz VQTGPTCJWULTOK-UHFFFAOYSA-N 1 2 381.502 -0.256 20 0 GBADLO Cn1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000532400510 1073892682 /nfs/dbraw/zinc/89/26/82/1073892682.db2.gz QFDSJVNRTJDQDC-UHFFFAOYSA-N 1 2 385.428 -0.391 20 0 GBADLO NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000532477305 1073928209 /nfs/dbraw/zinc/92/82/09/1073928209.db2.gz FRIXGELPIPAYLS-UHFFFAOYSA-N 1 2 387.440 -0.463 20 0 GBADLO CCOC(=O)CN(CC)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000532483554 1073928156 /nfs/dbraw/zinc/92/81/56/1073928156.db2.gz OLIZISKJTATROA-UHFFFAOYSA-N 1 2 389.460 -0.103 20 0 GBADLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000532484361 1073928643 /nfs/dbraw/zinc/92/86/43/1073928643.db2.gz RTXDJXZXWZQGFH-UHFFFAOYSA-N 1 2 388.476 -0.530 20 0 GBADLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000532484361 1073928635 /nfs/dbraw/zinc/92/86/35/1073928635.db2.gz RTXDJXZXWZQGFH-UHFFFAOYSA-N 1 2 388.476 -0.530 20 0 GBADLO COc1ccc(NC(=O)C[NH+](CCO)CCO)cc1S(=O)(=O)N(C)C ZINC000532537895 530298028 /nfs/dbraw/zinc/29/80/28/530298028.db2.gz UPMRBNYXAPFCDO-UHFFFAOYSA-N 1 2 375.447 -0.829 20 0 GBADLO Cn1c(=O)c(C(=O)C[N@@H+](CCO)CCCO)c(N)n(Cc2ccccc2)c1=O ZINC000532558746 1073930394 /nfs/dbraw/zinc/93/03/94/1073930394.db2.gz PIZNCCKSAFDZJD-UHFFFAOYSA-N 1 2 390.440 -0.963 20 0 GBADLO Cn1c(=O)c(C(=O)C[N@H+](CCO)CCCO)c(N)n(Cc2ccccc2)c1=O ZINC000532558746 1073930389 /nfs/dbraw/zinc/93/03/89/1073930389.db2.gz PIZNCCKSAFDZJD-UHFFFAOYSA-N 1 2 390.440 -0.963 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCS(=O)CC2)CC1 ZINC000532559083 1073930480 /nfs/dbraw/zinc/93/04/80/1073930480.db2.gz RHUARKLVNHGZQT-UHFFFAOYSA-N 1 2 377.474 -0.924 20 0 GBADLO C[C@@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[S@]1=O ZINC000532571791 530298149 /nfs/dbraw/zinc/29/81/49/530298149.db2.gz IFERKHXLKMGCBY-YEBMWUKDSA-N 1 2 387.527 -0.164 20 0 GBADLO C[C@@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[S@]1=O ZINC000532571791 530298147 /nfs/dbraw/zinc/29/81/47/530298147.db2.gz IFERKHXLKMGCBY-YEBMWUKDSA-N 1 2 387.527 -0.164 20 0 GBADLO C[C@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[S@@]1=O ZINC000532571818 530297847 /nfs/dbraw/zinc/29/78/47/530297847.db2.gz IFERKHXLKMGCBY-RZFZLAGVSA-N 1 2 387.527 -0.164 20 0 GBADLO C[C@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[S@@]1=O ZINC000532571818 530297845 /nfs/dbraw/zinc/29/78/45/530297845.db2.gz IFERKHXLKMGCBY-RZFZLAGVSA-N 1 2 387.527 -0.164 20 0 GBADLO C[C@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[S@]1=O ZINC000532571822 530297997 /nfs/dbraw/zinc/29/79/97/530297997.db2.gz IFERKHXLKMGCBY-RKNYENMMSA-N 1 2 387.527 -0.164 20 0 GBADLO C[C@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[S@]1=O ZINC000532571822 530297993 /nfs/dbraw/zinc/29/79/93/530297993.db2.gz IFERKHXLKMGCBY-RKNYENMMSA-N 1 2 387.527 -0.164 20 0 GBADLO C[C@@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[S@@]1=O ZINC000532571823 530297968 /nfs/dbraw/zinc/29/79/68/530297968.db2.gz IFERKHXLKMGCBY-OZAJXLCCSA-N 1 2 387.527 -0.164 20 0 GBADLO C[C@@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[S@@]1=O ZINC000532571823 530297965 /nfs/dbraw/zinc/29/79/65/530297965.db2.gz IFERKHXLKMGCBY-OZAJXLCCSA-N 1 2 387.527 -0.164 20 0 GBADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000532580123 1073931580 /nfs/dbraw/zinc/93/15/80/1073931580.db2.gz LUMOLXPUEUJQQE-GXTWGEPZSA-N 1 2 385.442 -0.075 20 0 GBADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000532580123 1073931574 /nfs/dbraw/zinc/93/15/74/1073931574.db2.gz LUMOLXPUEUJQQE-GXTWGEPZSA-N 1 2 385.442 -0.075 20 0 GBADLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000532580132 1073931692 /nfs/dbraw/zinc/93/16/92/1073931692.db2.gz LUMOLXPUEUJQQE-JSGCOSHPSA-N 1 2 385.442 -0.075 20 0 GBADLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000532580132 1073931685 /nfs/dbraw/zinc/93/16/85/1073931685.db2.gz LUMOLXPUEUJQQE-JSGCOSHPSA-N 1 2 385.442 -0.075 20 0 GBADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000532580174 1073931351 /nfs/dbraw/zinc/93/13/51/1073931351.db2.gz LUMOLXPUEUJQQE-OCCSQVGLSA-N 1 2 385.442 -0.075 20 0 GBADLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000532580174 1073931348 /nfs/dbraw/zinc/93/13/48/1073931348.db2.gz LUMOLXPUEUJQQE-OCCSQVGLSA-N 1 2 385.442 -0.075 20 0 GBADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000532580177 1073931453 /nfs/dbraw/zinc/93/14/53/1073931453.db2.gz LUMOLXPUEUJQQE-TZMCWYRMSA-N 1 2 385.442 -0.075 20 0 GBADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000532580177 1073931450 /nfs/dbraw/zinc/93/14/50/1073931450.db2.gz LUMOLXPUEUJQQE-TZMCWYRMSA-N 1 2 385.442 -0.075 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000532581513 530297915 /nfs/dbraw/zinc/29/79/15/530297915.db2.gz JLNSQCOKQCKGJW-CMPLNLGQSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000532581513 530297913 /nfs/dbraw/zinc/29/79/13/530297913.db2.gz JLNSQCOKQCKGJW-CMPLNLGQSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000532581532 530298145 /nfs/dbraw/zinc/29/81/45/530298145.db2.gz JLNSQCOKQCKGJW-JQWIXIFHSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000532581532 530298144 /nfs/dbraw/zinc/29/81/44/530298144.db2.gz JLNSQCOKQCKGJW-JQWIXIFHSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000532581539 530298120 /nfs/dbraw/zinc/29/81/20/530298120.db2.gz JLNSQCOKQCKGJW-PWSUYJOCSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000532581539 530298119 /nfs/dbraw/zinc/29/81/19/530298119.db2.gz JLNSQCOKQCKGJW-PWSUYJOCSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000532581545 530298002 /nfs/dbraw/zinc/29/80/02/530298002.db2.gz JLNSQCOKQCKGJW-ZYHUDNBSSA-N 1 2 390.487 -0.716 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000532581545 530298000 /nfs/dbraw/zinc/29/80/00/530298000.db2.gz JLNSQCOKQCKGJW-ZYHUDNBSSA-N 1 2 390.487 -0.716 20 0 GBADLO Cc1ncc2c(n1)CCN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000532597562 1073933886 /nfs/dbraw/zinc/93/38/86/1073933886.db2.gz AARJDMATQUDVPV-UHFFFAOYSA-N 1 2 399.455 -0.163 20 0 GBADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CCN2CCCS2(=O)=O)CC1 ZINC000532606284 530298221 /nfs/dbraw/zinc/29/82/21/530298221.db2.gz AKSRAQKPDCFRRB-HNNXBMFYSA-N 1 2 376.523 -0.819 20 0 GBADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCN2CCCS2(=O)=O)CC1 ZINC000532606290 530298254 /nfs/dbraw/zinc/29/82/54/530298254.db2.gz AKSRAQKPDCFRRB-OAHLLOKOSA-N 1 2 376.523 -0.819 20 0 GBADLO C[C@@H](O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000532667205 1073947474 /nfs/dbraw/zinc/94/74/74/1073947474.db2.gz IVZGTCIOIQDULX-CQSZACIVSA-N 1 2 385.490 -0.397 20 0 GBADLO COCCN(C[C@@H](O)C[NH+]1CCOCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000532667472 1073947120 /nfs/dbraw/zinc/94/71/20/1073947120.db2.gz IQFXRVKQXKKCMQ-AWEZNQCLSA-N 1 2 399.492 -0.667 20 0 GBADLO COCCN(C[C@H](O)C[NH+]1CCOCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000532667473 1073947463 /nfs/dbraw/zinc/94/74/63/1073947463.db2.gz IQFXRVKQXKKCMQ-CQSZACIVSA-N 1 2 399.492 -0.667 20 0 GBADLO CNS(=O)(=O)[C@H]1CCCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000532708477 530298123 /nfs/dbraw/zinc/29/81/23/530298123.db2.gz CGFSWUPXBBFGAV-AWEZNQCLSA-N 1 2 376.523 -0.773 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000532708490 530297868 /nfs/dbraw/zinc/29/78/68/530297868.db2.gz CGFSWUPXBBFGAV-CQSZACIVSA-N 1 2 376.523 -0.773 20 0 GBADLO CCOC(=O)c1nc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cs1 ZINC000532709831 530298636 /nfs/dbraw/zinc/29/86/36/530298636.db2.gz PMSSBXWJRJZLQX-CHWSQXEVSA-N 1 2 389.499 -0.093 20 0 GBADLO CCOC(=O)c1nc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cs1 ZINC000532709832 530298390 /nfs/dbraw/zinc/29/83/90/530298390.db2.gz PMSSBXWJRJZLQX-OLZOCXBDSA-N 1 2 389.499 -0.093 20 0 GBADLO CCOC(=O)c1nc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cs1 ZINC000532709833 530298485 /nfs/dbraw/zinc/29/84/85/530298485.db2.gz PMSSBXWJRJZLQX-QWHCGFSZSA-N 1 2 389.499 -0.093 20 0 GBADLO CCOC(=O)c1nc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cs1 ZINC000532709834 530298631 /nfs/dbraw/zinc/29/86/31/530298631.db2.gz PMSSBXWJRJZLQX-STQMWFEESA-N 1 2 389.499 -0.093 20 0 GBADLO C[C@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)S(C)(=O)=O ZINC000532806824 530170197 /nfs/dbraw/zinc/17/01/97/530170197.db2.gz JGEWNEXUDJUHRQ-GFCCVEGCSA-N 1 2 376.504 -0.137 20 0 GBADLO C[C@@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)S(C)(=O)=O ZINC000532806827 530179020 /nfs/dbraw/zinc/17/90/20/530179020.db2.gz JGEWNEXUDJUHRQ-LBPRGKRZSA-N 1 2 376.504 -0.137 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000532878243 530298998 /nfs/dbraw/zinc/29/89/98/530298998.db2.gz RSYCADSBNVRPPZ-CVEARBPZSA-N 1 2 380.507 -0.473 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000532878244 530298819 /nfs/dbraw/zinc/29/88/19/530298819.db2.gz RSYCADSBNVRPPZ-HOTGVXAUSA-N 1 2 380.507 -0.473 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000532878245 530298988 /nfs/dbraw/zinc/29/89/88/530298988.db2.gz RSYCADSBNVRPPZ-HZPDHXFCSA-N 1 2 380.507 -0.473 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000532878246 530298955 /nfs/dbraw/zinc/29/89/55/530298955.db2.gz RSYCADSBNVRPPZ-JKSUJKDBSA-N 1 2 380.507 -0.473 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)OC ZINC000533036178 530359291 /nfs/dbraw/zinc/35/92/91/530359291.db2.gz HXNHGXJQGGKNPU-GUTXKFCHSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)OC ZINC000533036178 530359290 /nfs/dbraw/zinc/35/92/90/530359290.db2.gz HXNHGXJQGGKNPU-GUTXKFCHSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)OC ZINC000533036179 530359221 /nfs/dbraw/zinc/35/92/21/530359221.db2.gz HXNHGXJQGGKNPU-GZBFAFLISA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)OC ZINC000533036179 530359220 /nfs/dbraw/zinc/35/92/20/530359220.db2.gz HXNHGXJQGGKNPU-GZBFAFLISA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)OC ZINC000533036180 530359237 /nfs/dbraw/zinc/35/92/37/530359237.db2.gz HXNHGXJQGGKNPU-KCQAQPDRSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)OC ZINC000533036180 530359236 /nfs/dbraw/zinc/35/92/36/530359236.db2.gz HXNHGXJQGGKNPU-KCQAQPDRSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)OC ZINC000533036181 530359321 /nfs/dbraw/zinc/35/93/21/530359321.db2.gz HXNHGXJQGGKNPU-YDHLFZDLSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)OC ZINC000533036181 530359320 /nfs/dbraw/zinc/35/93/20/530359320.db2.gz HXNHGXJQGGKNPU-YDHLFZDLSA-N 1 2 377.507 -0.049 20 0 GBADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000533063150 530359365 /nfs/dbraw/zinc/35/93/65/530359365.db2.gz AQIMRWOMWFQHEE-UHFFFAOYSA-N 1 2 376.523 -0.237 20 0 GBADLO O=S(=O)(NCC[NH+]1CCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000533096716 530360096 /nfs/dbraw/zinc/36/00/96/530360096.db2.gz MYNWOJSJNFBQDO-UHFFFAOYSA-N 1 2 389.499 -0.309 20 0 GBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000533243671 530361195 /nfs/dbraw/zinc/36/11/95/530361195.db2.gz XFCQFDYZBDERQN-UHFFFAOYSA-N 1 2 376.523 -0.189 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000533281578 530361500 /nfs/dbraw/zinc/36/15/00/530361500.db2.gz WBJWTOAACOOATA-GFCCVEGCSA-N 1 2 375.495 -0.350 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000533281578 530361497 /nfs/dbraw/zinc/36/14/97/530361497.db2.gz WBJWTOAACOOATA-GFCCVEGCSA-N 1 2 375.495 -0.350 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000533281579 530361271 /nfs/dbraw/zinc/36/12/71/530361271.db2.gz WBJWTOAACOOATA-LBPRGKRZSA-N 1 2 375.495 -0.350 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000533281579 530361269 /nfs/dbraw/zinc/36/12/69/530361269.db2.gz WBJWTOAACOOATA-LBPRGKRZSA-N 1 2 375.495 -0.350 20 0 GBADLO CC(C)OC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000533352875 530361884 /nfs/dbraw/zinc/36/18/84/530361884.db2.gz JMKLWKMOYFPCFP-GFCCVEGCSA-N 1 2 375.447 -0.529 20 0 GBADLO CC(C)OC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000533352876 530361902 /nfs/dbraw/zinc/36/19/02/530361902.db2.gz JMKLWKMOYFPCFP-LBPRGKRZSA-N 1 2 375.447 -0.529 20 0 GBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1cc(F)cc(F)c1 ZINC000533380709 1072187160 /nfs/dbraw/zinc/18/71/60/1072187160.db2.gz QPYZZCGVDIGEMT-GJZGRUSLSA-N 1 2 389.424 -0.009 20 0 GBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1cc(F)cc(F)c1 ZINC000533380710 1072187600 /nfs/dbraw/zinc/18/76/00/1072187600.db2.gz QPYZZCGVDIGEMT-HUUCEWRRSA-N 1 2 389.424 -0.009 20 0 GBADLO CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000533391869 530074402 /nfs/dbraw/zinc/07/44/02/530074402.db2.gz IRMFOMGFBRBVEL-DZGCQCFKSA-N 1 2 392.547 -0.473 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000533391870 530074116 /nfs/dbraw/zinc/07/41/16/530074116.db2.gz IRMFOMGFBRBVEL-HIFRSBDPSA-N 1 2 392.547 -0.473 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000533391871 530074238 /nfs/dbraw/zinc/07/42/38/530074238.db2.gz IRMFOMGFBRBVEL-UKRRQHHQSA-N 1 2 392.547 -0.473 20 0 GBADLO CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000533391872 530074453 /nfs/dbraw/zinc/07/44/53/530074453.db2.gz IRMFOMGFBRBVEL-ZFWWWQNUSA-N 1 2 392.547 -0.473 20 0 GBADLO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000533405638 530074879 /nfs/dbraw/zinc/07/48/79/530074879.db2.gz RUCYADNZTSSEGI-CABCVRRESA-N 1 2 377.507 -0.802 20 0 GBADLO CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000533405649 530074832 /nfs/dbraw/zinc/07/48/32/530074832.db2.gz RUCYADNZTSSEGI-GJZGRUSLSA-N 1 2 377.507 -0.802 20 0 GBADLO CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000533405651 530074727 /nfs/dbraw/zinc/07/47/27/530074727.db2.gz RUCYADNZTSSEGI-HUUCEWRRSA-N 1 2 377.507 -0.802 20 0 GBADLO CC(C)[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000533405652 530074951 /nfs/dbraw/zinc/07/49/51/530074951.db2.gz RUCYADNZTSSEGI-LSDHHAIUSA-N 1 2 377.507 -0.802 20 0 GBADLO CN(C)c1nc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ns1 ZINC000533460664 530075523 /nfs/dbraw/zinc/07/55/23/530075523.db2.gz MQUTZBMKAFZYSH-UHFFFAOYSA-N 1 2 389.551 -0.786 20 0 GBADLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000533490770 530075799 /nfs/dbraw/zinc/07/57/99/530075799.db2.gz GLFJQWDUIJSENZ-GFCCVEGCSA-N 1 2 377.488 -0.589 20 0 GBADLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000533495134 530075636 /nfs/dbraw/zinc/07/56/36/530075636.db2.gz ZTUHJAHAWSVGLO-KBPBESRZSA-N 1 2 377.507 -0.049 20 0 GBADLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000533495134 530075634 /nfs/dbraw/zinc/07/56/34/530075634.db2.gz ZTUHJAHAWSVGLO-KBPBESRZSA-N 1 2 377.507 -0.049 20 0 GBADLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000533495135 530075550 /nfs/dbraw/zinc/07/55/50/530075550.db2.gz ZTUHJAHAWSVGLO-KGLIPLIRSA-N 1 2 377.507 -0.049 20 0 GBADLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000533495135 530075548 /nfs/dbraw/zinc/07/55/48/530075548.db2.gz ZTUHJAHAWSVGLO-KGLIPLIRSA-N 1 2 377.507 -0.049 20 0 GBADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000533495136 530075589 /nfs/dbraw/zinc/07/55/89/530075589.db2.gz ZTUHJAHAWSVGLO-UONOGXRCSA-N 1 2 377.507 -0.049 20 0 GBADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000533495136 530075587 /nfs/dbraw/zinc/07/55/87/530075587.db2.gz ZTUHJAHAWSVGLO-UONOGXRCSA-N 1 2 377.507 -0.049 20 0 GBADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000533495137 530075899 /nfs/dbraw/zinc/07/58/99/530075899.db2.gz ZTUHJAHAWSVGLO-ZIAGYGMSSA-N 1 2 377.507 -0.049 20 0 GBADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000533495137 530075898 /nfs/dbraw/zinc/07/58/98/530075898.db2.gz ZTUHJAHAWSVGLO-ZIAGYGMSSA-N 1 2 377.507 -0.049 20 0 GBADLO COCCC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000533520502 530076456 /nfs/dbraw/zinc/07/64/56/530076456.db2.gz BVAKYEFSOZDJRQ-CHWSQXEVSA-N 1 2 379.479 -0.627 20 0 GBADLO COCCC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000533520502 530076455 /nfs/dbraw/zinc/07/64/55/530076455.db2.gz BVAKYEFSOZDJRQ-CHWSQXEVSA-N 1 2 379.479 -0.627 20 0 GBADLO COCCC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000533520503 530076633 /nfs/dbraw/zinc/07/66/33/530076633.db2.gz BVAKYEFSOZDJRQ-OLZOCXBDSA-N 1 2 379.479 -0.627 20 0 GBADLO COCCC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000533520503 530076632 /nfs/dbraw/zinc/07/66/32/530076632.db2.gz BVAKYEFSOZDJRQ-OLZOCXBDSA-N 1 2 379.479 -0.627 20 0 GBADLO COCCC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000533520504 530076540 /nfs/dbraw/zinc/07/65/40/530076540.db2.gz BVAKYEFSOZDJRQ-QWHCGFSZSA-N 1 2 379.479 -0.627 20 0 GBADLO COCCC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000533520504 530076537 /nfs/dbraw/zinc/07/65/37/530076537.db2.gz BVAKYEFSOZDJRQ-QWHCGFSZSA-N 1 2 379.479 -0.627 20 0 GBADLO COCCC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000533520505 530076624 /nfs/dbraw/zinc/07/66/24/530076624.db2.gz BVAKYEFSOZDJRQ-STQMWFEESA-N 1 2 379.479 -0.627 20 0 GBADLO COCCC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000533520505 530076623 /nfs/dbraw/zinc/07/66/23/530076623.db2.gz BVAKYEFSOZDJRQ-STQMWFEESA-N 1 2 379.479 -0.627 20 0 GBADLO CCN(C1CC[NH+](CC(=O)NC(=O)N[C@H](C)COC)CC1)S(C)(=O)=O ZINC000533521099 530076636 /nfs/dbraw/zinc/07/66/36/530076636.db2.gz VECLWQGLWCFXCK-GFCCVEGCSA-N 1 2 378.495 -0.407 20 0 GBADLO CCN(C1CC[NH+](CC(=O)NC(=O)N[C@@H](C)COC)CC1)S(C)(=O)=O ZINC000533521100 530076601 /nfs/dbraw/zinc/07/66/01/530076601.db2.gz VECLWQGLWCFXCK-LBPRGKRZSA-N 1 2 378.495 -0.407 20 0 GBADLO CCCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000533521359 530076697 /nfs/dbraw/zinc/07/66/97/530076697.db2.gz BRQOIRNLCQPVBI-AWEZNQCLSA-N 1 2 397.563 -0.327 20 0 GBADLO CCCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000533521359 530076696 /nfs/dbraw/zinc/07/66/96/530076696.db2.gz BRQOIRNLCQPVBI-AWEZNQCLSA-N 1 2 397.563 -0.327 20 0 GBADLO CCCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000533521362 530076649 /nfs/dbraw/zinc/07/66/49/530076649.db2.gz BRQOIRNLCQPVBI-CQSZACIVSA-N 1 2 397.563 -0.327 20 0 GBADLO CCCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000533521362 530076647 /nfs/dbraw/zinc/07/66/47/530076647.db2.gz BRQOIRNLCQPVBI-CQSZACIVSA-N 1 2 397.563 -0.327 20 0 GBADLO CCN(C1CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC1)S(C)(=O)=O ZINC000533522395 530076418 /nfs/dbraw/zinc/07/64/18/530076418.db2.gz QEVICJHTPXTWGL-UHFFFAOYSA-N 1 2 376.523 -0.237 20 0 GBADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NC(=O)N[C@H](C)COC)CC1 ZINC000533522487 530076436 /nfs/dbraw/zinc/07/64/36/530076436.db2.gz XGCWMDHXIJNUIU-GFCCVEGCSA-N 1 2 378.495 -0.407 20 0 GBADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NC(=O)N[C@@H](C)COC)CC1 ZINC000533522488 530076594 /nfs/dbraw/zinc/07/65/94/530076594.db2.gz XGCWMDHXIJNUIU-LBPRGKRZSA-N 1 2 378.495 -0.407 20 0 GBADLO CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000533652104 1072321713 /nfs/dbraw/zinc/32/17/13/1072321713.db2.gz KVGSYHXUUOWJFP-DLBZAZTESA-N 1 2 380.489 -0.506 20 0 GBADLO O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCc1ccco1 ZINC000533812264 1072504022 /nfs/dbraw/zinc/50/40/22/1072504022.db2.gz VBGDXDBSVBDMBF-AWEZNQCLSA-N 1 2 378.429 -0.807 20 0 GBADLO COCC(=O)N(C)CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000533890686 1072352080 /nfs/dbraw/zinc/35/20/80/1072352080.db2.gz FJIUTSXUPJDSFW-UHFFFAOYSA-N 1 2 377.445 -0.659 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534069701 530205312 /nfs/dbraw/zinc/20/53/12/530205312.db2.gz CJYVNAAUYVPZBV-CVEARBPZSA-N 1 2 390.527 -0.024 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534069701 530205310 /nfs/dbraw/zinc/20/53/10/530205310.db2.gz CJYVNAAUYVPZBV-CVEARBPZSA-N 1 2 390.527 -0.024 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534069702 530205242 /nfs/dbraw/zinc/20/52/42/530205242.db2.gz CJYVNAAUYVPZBV-HOTGVXAUSA-N 1 2 390.527 -0.024 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534069702 530205240 /nfs/dbraw/zinc/20/52/40/530205240.db2.gz CJYVNAAUYVPZBV-HOTGVXAUSA-N 1 2 390.527 -0.024 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534069703 530205149 /nfs/dbraw/zinc/20/51/49/530205149.db2.gz CJYVNAAUYVPZBV-HZPDHXFCSA-N 1 2 390.527 -0.024 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534069703 530205146 /nfs/dbraw/zinc/20/51/46/530205146.db2.gz CJYVNAAUYVPZBV-HZPDHXFCSA-N 1 2 390.527 -0.024 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534069704 530205081 /nfs/dbraw/zinc/20/50/81/530205081.db2.gz CJYVNAAUYVPZBV-JKSUJKDBSA-N 1 2 390.527 -0.024 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534069704 530205080 /nfs/dbraw/zinc/20/50/80/530205080.db2.gz CJYVNAAUYVPZBV-JKSUJKDBSA-N 1 2 390.527 -0.024 20 0 GBADLO O=C(NC[C@H]1CS(=O)(=O)CCO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000534344054 530205877 /nfs/dbraw/zinc/20/58/77/530205877.db2.gz KSVGYVWKQIEWBS-HNNXBMFYSA-N 1 2 375.491 -0.446 20 0 GBADLO O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000534344059 530206114 /nfs/dbraw/zinc/20/61/14/530206114.db2.gz KSVGYVWKQIEWBS-OAHLLOKOSA-N 1 2 375.491 -0.446 20 0 GBADLO NS(=O)(=O)c1cc(Br)cnc1N1CC[NH+](CCCO)CC1 ZINC000534717973 530268889 /nfs/dbraw/zinc/26/88/89/530268889.db2.gz XERUZOVTCGIVGC-UHFFFAOYSA-N 1 2 379.280 -0.004 20 0 GBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000535041046 530269435 /nfs/dbraw/zinc/26/94/35/530269435.db2.gz JEUIHQYZGWSBKQ-CHWSQXEVSA-N 1 2 377.532 -0.425 20 0 GBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000535041046 530269433 /nfs/dbraw/zinc/26/94/33/530269433.db2.gz JEUIHQYZGWSBKQ-CHWSQXEVSA-N 1 2 377.532 -0.425 20 0 GBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000535041047 530269553 /nfs/dbraw/zinc/26/95/53/530269553.db2.gz JEUIHQYZGWSBKQ-OLZOCXBDSA-N 1 2 377.532 -0.425 20 0 GBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000535041047 530269552 /nfs/dbraw/zinc/26/95/52/530269552.db2.gz JEUIHQYZGWSBKQ-OLZOCXBDSA-N 1 2 377.532 -0.425 20 0 GBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000535041048 530269368 /nfs/dbraw/zinc/26/93/68/530269368.db2.gz JEUIHQYZGWSBKQ-QWHCGFSZSA-N 1 2 377.532 -0.425 20 0 GBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000535041048 530269365 /nfs/dbraw/zinc/26/93/65/530269365.db2.gz JEUIHQYZGWSBKQ-QWHCGFSZSA-N 1 2 377.532 -0.425 20 0 GBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000535041049 530269344 /nfs/dbraw/zinc/26/93/44/530269344.db2.gz JEUIHQYZGWSBKQ-STQMWFEESA-N 1 2 377.532 -0.425 20 0 GBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000535041049 530269343 /nfs/dbraw/zinc/26/93/43/530269343.db2.gz JEUIHQYZGWSBKQ-STQMWFEESA-N 1 2 377.532 -0.425 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(C)o1 ZINC000535088650 530269626 /nfs/dbraw/zinc/26/96/26/530269626.db2.gz VLKKXHRIMGYOCL-HNNXBMFYSA-N 1 2 376.431 -0.264 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(C)o1 ZINC000535088660 530269635 /nfs/dbraw/zinc/26/96/35/530269635.db2.gz VLKKXHRIMGYOCL-OAHLLOKOSA-N 1 2 376.431 -0.264 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000535378438 530272531 /nfs/dbraw/zinc/27/25/31/530272531.db2.gz JYSAMGQEQVCSME-UHFFFAOYSA-N 1 2 375.447 -0.796 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000535378438 530272529 /nfs/dbraw/zinc/27/25/29/530272529.db2.gz JYSAMGQEQVCSME-UHFFFAOYSA-N 1 2 375.447 -0.796 20 0 GBADLO CCCCS(=O)(=O)NCC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000535591947 530284344 /nfs/dbraw/zinc/28/43/44/530284344.db2.gz LNUBLFLASNIZEP-UHFFFAOYSA-N 1 2 376.523 -0.282 20 0 GBADLO O=C(CN1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000535664996 1072245032 /nfs/dbraw/zinc/24/50/32/1072245032.db2.gz MLZDSKKTZMTBDO-INIZCTEOSA-N 1 2 387.440 -0.307 20 0 GBADLO O=C(CN1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000535665011 1072245885 /nfs/dbraw/zinc/24/58/85/1072245885.db2.gz MLZDSKKTZMTBDO-MRXNPFEDSA-N 1 2 387.440 -0.307 20 0 GBADLO CN1CCN(S(=O)(=O)N2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)CC1 ZINC000535720931 1072257573 /nfs/dbraw/zinc/25/75/73/1072257573.db2.gz AKVGATATUNIQBE-UHFFFAOYSA-N 1 2 391.501 -0.174 20 0 GBADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000535791279 1072259928 /nfs/dbraw/zinc/25/99/28/1072259928.db2.gz LRHINLRSTARPQB-UHFFFAOYSA-N 1 2 379.413 -0.436 20 0 GBADLO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000535797426 1072260821 /nfs/dbraw/zinc/26/08/21/1072260821.db2.gz IHCZCFXXGACTGW-BRWVUGGUSA-N 1 2 397.497 -0.265 20 0 GBADLO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000535797426 1072260809 /nfs/dbraw/zinc/26/08/09/1072260809.db2.gz IHCZCFXXGACTGW-BRWVUGGUSA-N 1 2 397.497 -0.265 20 0 GBADLO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000535797427 1072261014 /nfs/dbraw/zinc/26/10/14/1072261014.db2.gz IHCZCFXXGACTGW-GVDBMIGSSA-N 1 2 397.497 -0.265 20 0 GBADLO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000535797427 1072261008 /nfs/dbraw/zinc/26/10/08/1072261008.db2.gz IHCZCFXXGACTGW-GVDBMIGSSA-N 1 2 397.497 -0.265 20 0 GBADLO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000535797428 1072260695 /nfs/dbraw/zinc/26/06/95/1072260695.db2.gz IHCZCFXXGACTGW-IXDOHACOSA-N 1 2 397.497 -0.265 20 0 GBADLO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000535797428 1072260693 /nfs/dbraw/zinc/26/06/93/1072260693.db2.gz IHCZCFXXGACTGW-IXDOHACOSA-N 1 2 397.497 -0.265 20 0 GBADLO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000535797429 1072260729 /nfs/dbraw/zinc/26/07/29/1072260729.db2.gz IHCZCFXXGACTGW-YESZJQIVSA-N 1 2 397.497 -0.265 20 0 GBADLO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000535797429 1072260722 /nfs/dbraw/zinc/26/07/22/1072260722.db2.gz IHCZCFXXGACTGW-YESZJQIVSA-N 1 2 397.497 -0.265 20 0 GBADLO C[C@H](CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)S(C)(=O)=O ZINC000535840382 1072270766 /nfs/dbraw/zinc/27/07/66/1072270766.db2.gz PFJNVVPRMVBEKI-LLVKDONJSA-N 1 2 381.462 -0.372 20 0 GBADLO C[C@@H](CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)S(C)(=O)=O ZINC000535840383 1072270604 /nfs/dbraw/zinc/27/06/04/1072270604.db2.gz PFJNVVPRMVBEKI-NSHDSACASA-N 1 2 381.462 -0.372 20 0 GBADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)[C@@H]2C1 ZINC000535868772 1072273981 /nfs/dbraw/zinc/27/39/81/1072273981.db2.gz DBLKAGRDYHXAHN-BRWVUGGUSA-N 1 2 382.505 -0.513 20 0 GBADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)[C@@H]2C1 ZINC000535868772 1072273974 /nfs/dbraw/zinc/27/39/74/1072273974.db2.gz DBLKAGRDYHXAHN-BRWVUGGUSA-N 1 2 382.505 -0.513 20 0 GBADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)[C@H]2C1 ZINC000535868782 1072273490 /nfs/dbraw/zinc/27/34/90/1072273490.db2.gz DBLKAGRDYHXAHN-IKGGRYGDSA-N 1 2 382.505 -0.513 20 0 GBADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)[C@H]2C1 ZINC000535868782 1072273478 /nfs/dbraw/zinc/27/34/78/1072273478.db2.gz DBLKAGRDYHXAHN-IKGGRYGDSA-N 1 2 382.505 -0.513 20 0 GBADLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)[C@H]2C1 ZINC000535868783 1072274453 /nfs/dbraw/zinc/27/44/53/1072274453.db2.gz DBLKAGRDYHXAHN-IXDOHACOSA-N 1 2 382.505 -0.513 20 0 GBADLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)[C@H]2C1 ZINC000535868783 1072274448 /nfs/dbraw/zinc/27/44/48/1072274448.db2.gz DBLKAGRDYHXAHN-IXDOHACOSA-N 1 2 382.505 -0.513 20 0 GBADLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)[C@@H]2C1 ZINC000535868784 1072274323 /nfs/dbraw/zinc/27/43/23/1072274323.db2.gz DBLKAGRDYHXAHN-ZACQAIPSSA-N 1 2 382.505 -0.513 20 0 GBADLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)[C@@H]2C1 ZINC000535868784 1072274312 /nfs/dbraw/zinc/27/43/12/1072274312.db2.gz DBLKAGRDYHXAHN-ZACQAIPSSA-N 1 2 382.505 -0.513 20 0 GBADLO O=C(CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)NCc1ccco1 ZINC000536013607 1072459956 /nfs/dbraw/zinc/45/99/56/1072459956.db2.gz BATXRJAKDWAWBZ-UHFFFAOYSA-N 1 2 387.444 -0.193 20 0 GBADLO CC(=O)NC[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000536016156 1072460589 /nfs/dbraw/zinc/46/05/89/1072460589.db2.gz BOCKYDPBZCBKJY-INIZCTEOSA-N 1 2 391.476 -0.855 20 0 GBADLO CC(=O)NC[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000536016166 1072460846 /nfs/dbraw/zinc/46/08/46/1072460846.db2.gz BOCKYDPBZCBKJY-MRXNPFEDSA-N 1 2 391.476 -0.855 20 0 GBADLO CC(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000536021764 1072461646 /nfs/dbraw/zinc/46/16/46/1072461646.db2.gz RHWSNMJAGRBGAC-HNNXBMFYSA-N 1 2 375.477 -0.139 20 0 GBADLO CC(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000536021772 1072461441 /nfs/dbraw/zinc/46/14/41/1072461441.db2.gz RHWSNMJAGRBGAC-OAHLLOKOSA-N 1 2 375.477 -0.139 20 0 GBADLO O=C(NCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000536091676 1072487389 /nfs/dbraw/zinc/48/73/89/1072487389.db2.gz GTGZHCCQUUGXDP-AWEZNQCLSA-N 1 2 394.497 -0.225 20 0 GBADLO O=C(NCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000536091684 1072487274 /nfs/dbraw/zinc/48/72/74/1072487274.db2.gz GTGZHCCQUUGXDP-CQSZACIVSA-N 1 2 394.497 -0.225 20 0 GBADLO Cn1cnc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000536148522 1072510537 /nfs/dbraw/zinc/51/05/37/1072510537.db2.gz BSFKJKXWGGOOAE-UHFFFAOYSA-N 1 2 378.458 -0.303 20 0 GBADLO CNc1nc(N2CCC(O)(COC)CC2)[nH+]c(N2CCC(O)(COC)CC2)n1 ZINC000536154477 1072514031 /nfs/dbraw/zinc/51/40/31/1072514031.db2.gz IMJGWPRDHUIRPJ-UHFFFAOYSA-N 1 2 396.492 -0.709 20 0 GBADLO CC(C)[N@H+](Cc1nc(N)nc(N)n1)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000536172169 1072518189 /nfs/dbraw/zinc/51/81/89/1072518189.db2.gz BHNAWDUAHJAFTO-CYBMUJFWSA-N 1 2 389.460 -0.625 20 0 GBADLO CC(C)[N@@H+](Cc1nc(N)nc(N)n1)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000536172169 1072518182 /nfs/dbraw/zinc/51/81/82/1072518182.db2.gz BHNAWDUAHJAFTO-CYBMUJFWSA-N 1 2 389.460 -0.625 20 0 GBADLO CC(C)[N@H+](Cc1nc(N)nc(N)n1)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000536172179 1072518382 /nfs/dbraw/zinc/51/83/82/1072518382.db2.gz BHNAWDUAHJAFTO-ZDUSSCGKSA-N 1 2 389.460 -0.625 20 0 GBADLO CC(C)[N@@H+](Cc1nc(N)nc(N)n1)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000536172179 1072518379 /nfs/dbraw/zinc/51/83/79/1072518379.db2.gz BHNAWDUAHJAFTO-ZDUSSCGKSA-N 1 2 389.460 -0.625 20 0 GBADLO COCC1(O)CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000536172517 1072518045 /nfs/dbraw/zinc/51/80/45/1072518045.db2.gz IFUNSKROPIVDJQ-UHFFFAOYSA-N 1 2 378.477 -0.219 20 0 GBADLO C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)CC(C)(CO)CO ZINC000536174227 530286529 /nfs/dbraw/zinc/28/65/29/530286529.db2.gz RICQTWBIABDSRY-UHFFFAOYSA-N 1 2 379.866 -0.151 20 0 GBADLO C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)CC(C)(CO)CO ZINC000536174227 530286528 /nfs/dbraw/zinc/28/65/28/530286528.db2.gz RICQTWBIABDSRY-UHFFFAOYSA-N 1 2 379.866 -0.151 20 0 GBADLO C[C@H](CO)CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000536234196 1073750995 /nfs/dbraw/zinc/75/09/95/1073750995.db2.gz WTKFCMGNHQEQBC-HNNXBMFYSA-N 1 2 391.538 -0.786 20 0 GBADLO C[C@@H](CO)CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000536234207 1073760410 /nfs/dbraw/zinc/76/04/10/1073760410.db2.gz WTKFCMGNHQEQBC-OAHLLOKOSA-N 1 2 391.538 -0.786 20 0 GBADLO CCc1ccccc1NC(=O)CNC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000536344130 1073168773 /nfs/dbraw/zinc/16/87/73/1073168773.db2.gz TWAXPPNBLUVFDT-UHFFFAOYSA-N 1 2 387.440 -0.022 20 0 GBADLO O=C(CNC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)Nc1ccc(F)c(F)c1 ZINC000536344565 1073168801 /nfs/dbraw/zinc/16/88/01/1073168801.db2.gz QPBZZJWPNDYLRU-UHFFFAOYSA-N 1 2 395.366 -0.307 20 0 GBADLO Cn1c(N)c(C(=O)C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c(=O)n(C)c1=O ZINC000536345694 1073169510 /nfs/dbraw/zinc/16/95/10/1073169510.db2.gz LOVOZORHZJKJLO-NEPJUHHUSA-N 1 2 382.486 -0.165 20 0 GBADLO Cn1c(N)c(C(=O)C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c(=O)n(C)c1=O ZINC000536345694 1073169507 /nfs/dbraw/zinc/16/95/07/1073169507.db2.gz LOVOZORHZJKJLO-NEPJUHHUSA-N 1 2 382.486 -0.165 20 0 GBADLO Cn1c(N)c(C(=O)C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c(=O)n(C)c1=O ZINC000536345695 1073169495 /nfs/dbraw/zinc/16/94/95/1073169495.db2.gz LOVOZORHZJKJLO-NWDGAFQWSA-N 1 2 382.486 -0.165 20 0 GBADLO Cn1c(N)c(C(=O)C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c(=O)n(C)c1=O ZINC000536345695 1073169491 /nfs/dbraw/zinc/16/94/91/1073169491.db2.gz LOVOZORHZJKJLO-NWDGAFQWSA-N 1 2 382.486 -0.165 20 0 GBADLO Cn1c(N)c(C(=O)C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c(=O)n(C)c1=O ZINC000536345696 1073169419 /nfs/dbraw/zinc/16/94/19/1073169419.db2.gz LOVOZORHZJKJLO-RYUDHWBXSA-N 1 2 382.486 -0.165 20 0 GBADLO Cn1c(N)c(C(=O)C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c(=O)n(C)c1=O ZINC000536345696 1073169415 /nfs/dbraw/zinc/16/94/15/1073169415.db2.gz LOVOZORHZJKJLO-RYUDHWBXSA-N 1 2 382.486 -0.165 20 0 GBADLO Cn1c(N)c(C(=O)C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c(=O)n(C)c1=O ZINC000536345697 1073169738 /nfs/dbraw/zinc/16/97/38/1073169738.db2.gz LOVOZORHZJKJLO-VXGBXAGGSA-N 1 2 382.486 -0.165 20 0 GBADLO Cn1c(N)c(C(=O)C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c(=O)n(C)c1=O ZINC000536345697 1073169733 /nfs/dbraw/zinc/16/97/33/1073169733.db2.gz LOVOZORHZJKJLO-VXGBXAGGSA-N 1 2 382.486 -0.165 20 0 GBADLO CN(CCCNC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1)S(C)(=O)=O ZINC000536373864 530103001 /nfs/dbraw/zinc/10/30/01/530103001.db2.gz FMWMLPONSKGDCY-UHFFFAOYSA-N 1 2 375.413 -0.227 20 0 GBADLO COC(=O)C1(NC(=O)C[NH+]2CCC(CS(N)(=O)=O)CC2)CCCCC1 ZINC000536382307 530103127 /nfs/dbraw/zinc/10/31/27/530103127.db2.gz LZLPSDGEMRDTAE-UHFFFAOYSA-N 1 2 375.491 -0.021 20 0 GBADLO NS(=O)(=O)CC1CC[NH+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000536385021 1073173049 /nfs/dbraw/zinc/17/30/49/1073173049.db2.gz CUDRSBOIFNGIDJ-UHFFFAOYSA-N 1 2 388.534 -0.104 20 0 GBADLO NC(=O)CCN(C(=O)C[NH+]1CCC(S(N)(=O)=O)CC1)c1ccc(F)cc1 ZINC000536385310 1073172951 /nfs/dbraw/zinc/17/29/51/1073172951.db2.gz GFLOLWGKBVTHOI-UHFFFAOYSA-N 1 2 386.449 -0.213 20 0 GBADLO CCCCS(=O)(=O)NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000536387098 1073173037 /nfs/dbraw/zinc/17/30/37/1073173037.db2.gz WAJZUFJHISNBIQ-UHFFFAOYSA-N 1 2 395.489 -0.269 20 0 GBADLO CCOC(=O)C(C)(C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000536509225 1073940134 /nfs/dbraw/zinc/94/01/34/1073940134.db2.gz LJNXCXXZCFNZMN-UHFFFAOYSA-N 1 2 390.506 -0.788 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000536572410 1073945177 /nfs/dbraw/zinc/94/51/77/1073945177.db2.gz KBZTXNCILULEEB-AWEZNQCLSA-N 1 2 398.485 -0.422 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000536572410 1073945169 /nfs/dbraw/zinc/94/51/69/1073945169.db2.gz KBZTXNCILULEEB-AWEZNQCLSA-N 1 2 398.485 -0.422 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000536572411 1073945428 /nfs/dbraw/zinc/94/54/28/1073945428.db2.gz KBZTXNCILULEEB-CQSZACIVSA-N 1 2 398.485 -0.422 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000536572411 1073945421 /nfs/dbraw/zinc/94/54/21/1073945421.db2.gz KBZTXNCILULEEB-CQSZACIVSA-N 1 2 398.485 -0.422 20 0 GBADLO C[N@@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@H]1CCSC1 ZINC000536583320 530286497 /nfs/dbraw/zinc/28/64/97/530286497.db2.gz GBSJRJANPCMZRD-BFHYXJOUSA-N 1 2 377.532 -0.962 20 0 GBADLO C[N@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@H]1CCSC1 ZINC000536583320 530286495 /nfs/dbraw/zinc/28/64/95/530286495.db2.gz GBSJRJANPCMZRD-BFHYXJOUSA-N 1 2 377.532 -0.962 20 0 GBADLO C[N@@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@@H]1CCSC1 ZINC000536583321 530286357 /nfs/dbraw/zinc/28/63/57/530286357.db2.gz GBSJRJANPCMZRD-MCIONIFRSA-N 1 2 377.532 -0.962 20 0 GBADLO C[N@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@@H]1CCSC1 ZINC000536583321 530286355 /nfs/dbraw/zinc/28/63/55/530286355.db2.gz GBSJRJANPCMZRD-MCIONIFRSA-N 1 2 377.532 -0.962 20 0 GBADLO C[N@@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@@H]1CCSC1 ZINC000536583322 530286339 /nfs/dbraw/zinc/28/63/39/530286339.db2.gz GBSJRJANPCMZRD-MGPQQGTHSA-N 1 2 377.532 -0.962 20 0 GBADLO C[N@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@@H]1CCSC1 ZINC000536583322 530286336 /nfs/dbraw/zinc/28/63/36/530286336.db2.gz GBSJRJANPCMZRD-MGPQQGTHSA-N 1 2 377.532 -0.962 20 0 GBADLO C[N@@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@H]1CCSC1 ZINC000536583323 530286511 /nfs/dbraw/zinc/28/65/11/530286511.db2.gz GBSJRJANPCMZRD-MJBXVCDLSA-N 1 2 377.532 -0.962 20 0 GBADLO C[N@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@H]1CCSC1 ZINC000536583323 530286508 /nfs/dbraw/zinc/28/65/08/530286508.db2.gz GBSJRJANPCMZRD-MJBXVCDLSA-N 1 2 377.532 -0.962 20 0 GBADLO Cc1cc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(C)c[nH+]1 ZINC000536619198 1073950414 /nfs/dbraw/zinc/95/04/14/1073950414.db2.gz LFGNYISABJNWET-UHFFFAOYSA-N 1 2 375.429 -0.345 20 0 GBADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C[C@H](C)O1 ZINC000536644218 530286694 /nfs/dbraw/zinc/28/66/94/530286694.db2.gz WAOJOEAHVTYRNE-HZSPNIEDSA-N 1 2 377.507 -0.013 20 0 GBADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C[C@H](C)O1 ZINC000536644218 530286692 /nfs/dbraw/zinc/28/66/92/530286692.db2.gz WAOJOEAHVTYRNE-HZSPNIEDSA-N 1 2 377.507 -0.013 20 0 GBADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)C[C@@H](C)O1 ZINC000536644219 530286920 /nfs/dbraw/zinc/28/69/20/530286920.db2.gz WAOJOEAHVTYRNE-MCIONIFRSA-N 1 2 377.507 -0.013 20 0 GBADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C[C@@H](C)O1 ZINC000536644220 530286750 /nfs/dbraw/zinc/28/67/50/530286750.db2.gz WAOJOEAHVTYRNE-MGPQQGTHSA-N 1 2 377.507 -0.013 20 0 GBADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)C[C@H](C)O1 ZINC000536644221 530286789 /nfs/dbraw/zinc/28/67/89/530286789.db2.gz WAOJOEAHVTYRNE-MJBXVCDLSA-N 1 2 377.507 -0.013 20 0 GBADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)C[C@H](C)O1 ZINC000536644221 530286788 /nfs/dbraw/zinc/28/67/88/530286788.db2.gz WAOJOEAHVTYRNE-MJBXVCDLSA-N 1 2 377.507 -0.013 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000536971073 530362072 /nfs/dbraw/zinc/36/20/72/530362072.db2.gz SMTDOQWYDMJTQM-UHFFFAOYSA-N 1 2 378.398 -0.196 20 0 GBADLO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000537163441 530363116 /nfs/dbraw/zinc/36/31/16/530363116.db2.gz XSTYYWINPGEXRT-UHFFFAOYSA-N 1 2 391.877 -0.107 20 0 GBADLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)CC1 ZINC000537179425 530363467 /nfs/dbraw/zinc/36/34/67/530363467.db2.gz KMQXSVZMZCRGNM-UHFFFAOYSA-N 1 2 388.877 -0.119 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)cc1Cl ZINC000537286123 530366261 /nfs/dbraw/zinc/36/62/61/530366261.db2.gz HJYZDGSYTQRGKL-LLVKDONJSA-N 1 2 391.877 -0.248 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)cc1Cl ZINC000537286127 530366240 /nfs/dbraw/zinc/36/62/40/530366240.db2.gz HJYZDGSYTQRGKL-NSHDSACASA-N 1 2 391.877 -0.248 20 0 GBADLO C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)C(F)(F)F ZINC000538121368 530471585 /nfs/dbraw/zinc/47/15/85/530471585.db2.gz MJYMCWZRQDBOMZ-GFCCVEGCSA-N 1 2 383.392 -0.152 20 0 GBADLO C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)C(F)(F)F ZINC000538121368 530471583 /nfs/dbraw/zinc/47/15/83/530471583.db2.gz MJYMCWZRQDBOMZ-GFCCVEGCSA-N 1 2 383.392 -0.152 20 0 GBADLO C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@H](O)C(F)(F)F ZINC000538121369 530471761 /nfs/dbraw/zinc/47/17/61/530471761.db2.gz MJYMCWZRQDBOMZ-LBPRGKRZSA-N 1 2 383.392 -0.152 20 0 GBADLO C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@H](O)C(F)(F)F ZINC000538121369 530471759 /nfs/dbraw/zinc/47/17/59/530471759.db2.gz MJYMCWZRQDBOMZ-LBPRGKRZSA-N 1 2 383.392 -0.152 20 0 GBADLO C[C@](O)(CNC(=O)c1ccc(S(N)(=O)=O)cc1F)C[NH+]1CCOCC1 ZINC000538836741 530472738 /nfs/dbraw/zinc/47/27/38/530472738.db2.gz ZWGKIWWOMWBUIG-HNNXBMFYSA-N 1 2 375.422 -0.714 20 0 GBADLO C[C@@](O)(CNC(=O)c1ccc(S(N)(=O)=O)cc1F)C[NH+]1CCOCC1 ZINC000538836742 530472893 /nfs/dbraw/zinc/47/28/93/530472893.db2.gz ZWGKIWWOMWBUIG-OAHLLOKOSA-N 1 2 375.422 -0.714 20 0 GBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000538961318 530473397 /nfs/dbraw/zinc/47/33/97/530473397.db2.gz BGQCKPIXULXIKI-CYBMUJFWSA-N 1 2 388.515 -0.424 20 0 GBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000538961318 530473395 /nfs/dbraw/zinc/47/33/95/530473395.db2.gz BGQCKPIXULXIKI-CYBMUJFWSA-N 1 2 388.515 -0.424 20 0 GBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000538961319 530473366 /nfs/dbraw/zinc/47/33/66/530473366.db2.gz BGQCKPIXULXIKI-ZDUSSCGKSA-N 1 2 388.515 -0.424 20 0 GBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000538961319 530473364 /nfs/dbraw/zinc/47/33/64/530473364.db2.gz BGQCKPIXULXIKI-ZDUSSCGKSA-N 1 2 388.515 -0.424 20 0 GBADLO COCCN(C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000539166725 530473150 /nfs/dbraw/zinc/47/31/50/530473150.db2.gz HAPBHJHZXGUUNP-CABCVRRESA-N 1 2 377.507 -0.200 20 0 GBADLO COCCN(C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000539166735 530473406 /nfs/dbraw/zinc/47/34/06/530473406.db2.gz HAPBHJHZXGUUNP-GJZGRUSLSA-N 1 2 377.507 -0.200 20 0 GBADLO COCCN(C(=O)NC[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000539166738 530473253 /nfs/dbraw/zinc/47/32/53/530473253.db2.gz HAPBHJHZXGUUNP-HUUCEWRRSA-N 1 2 377.507 -0.200 20 0 GBADLO COCCN(C(=O)NC[C@H](C)C[NH+]1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000539166739 530473301 /nfs/dbraw/zinc/47/33/01/530473301.db2.gz HAPBHJHZXGUUNP-LSDHHAIUSA-N 1 2 377.507 -0.200 20 0 GBADLO CC[C@@H](CSC)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000539246172 530473706 /nfs/dbraw/zinc/47/37/06/530473706.db2.gz KPXBLPPBHCISAO-AWEZNQCLSA-N 1 2 393.579 -0.053 20 0 GBADLO CC[C@H](CSC)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000539246180 530473716 /nfs/dbraw/zinc/47/37/16/530473716.db2.gz KPXBLPPBHCISAO-CQSZACIVSA-N 1 2 393.579 -0.053 20 0 GBADLO C[C@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)S(N)(=O)=O ZINC000539595274 530180880 /nfs/dbraw/zinc/18/08/80/530180880.db2.gz RAFKOIPVLQGESM-LLVKDONJSA-N 1 2 377.492 -0.893 20 0 GBADLO C[C@@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)S(N)(=O)=O ZINC000539595275 530181667 /nfs/dbraw/zinc/18/16/67/530181667.db2.gz RAFKOIPVLQGESM-NSHDSACASA-N 1 2 377.492 -0.893 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000539963338 530474566 /nfs/dbraw/zinc/47/45/66/530474566.db2.gz TVEZHHLDGSWURT-LLVKDONJSA-N 1 2 375.422 -0.762 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000539963356 530474286 /nfs/dbraw/zinc/47/42/86/530474286.db2.gz TVEZHHLDGSWURT-NSHDSACASA-N 1 2 375.422 -0.762 20 0 GBADLO COCCCN(C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000540266632 530474857 /nfs/dbraw/zinc/47/48/57/530474857.db2.gz ITBNPFRCCJXSOD-CABCVRRESA-N 1 2 377.507 -0.058 20 0 GBADLO COCCCN(C(=O)N[C@@H]1CC[N@H+](CCOC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000540266632 530474854 /nfs/dbraw/zinc/47/48/54/530474854.db2.gz ITBNPFRCCJXSOD-CABCVRRESA-N 1 2 377.507 -0.058 20 0 GBADLO COCCCN(C(=O)N[C@H]1CC[N@@H+](CCOC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000540266633 530474939 /nfs/dbraw/zinc/47/49/39/530474939.db2.gz ITBNPFRCCJXSOD-GJZGRUSLSA-N 1 2 377.507 -0.058 20 0 GBADLO COCCCN(C(=O)N[C@H]1CC[N@H+](CCOC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000540266633 530474936 /nfs/dbraw/zinc/47/49/36/530474936.db2.gz ITBNPFRCCJXSOD-GJZGRUSLSA-N 1 2 377.507 -0.058 20 0 GBADLO COCCCN(C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000540266634 530474772 /nfs/dbraw/zinc/47/47/72/530474772.db2.gz ITBNPFRCCJXSOD-HUUCEWRRSA-N 1 2 377.507 -0.058 20 0 GBADLO COCCCN(C(=O)N[C@@H]1CC[N@H+](CCOC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000540266634 530474770 /nfs/dbraw/zinc/47/47/70/530474770.db2.gz ITBNPFRCCJXSOD-HUUCEWRRSA-N 1 2 377.507 -0.058 20 0 GBADLO COCCCN(C(=O)N[C@H]1CC[N@@H+](CCOC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000540266635 530474761 /nfs/dbraw/zinc/47/47/61/530474761.db2.gz ITBNPFRCCJXSOD-LSDHHAIUSA-N 1 2 377.507 -0.058 20 0 GBADLO COCCCN(C(=O)N[C@H]1CC[N@H+](CCOC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000540266635 530474760 /nfs/dbraw/zinc/47/47/60/530474760.db2.gz ITBNPFRCCJXSOD-LSDHHAIUSA-N 1 2 377.507 -0.058 20 0 GBADLO Cn1cc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)c(=O)n(C)c1=O ZINC000540271995 530474692 /nfs/dbraw/zinc/47/46/92/530474692.db2.gz QVTBTTZFMOHOHM-UHFFFAOYSA-N 1 2 381.336 -0.679 20 0 GBADLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000540472037 530474790 /nfs/dbraw/zinc/47/47/90/530474790.db2.gz GLFJQWDUIJSENZ-LBPRGKRZSA-N 1 2 377.488 -0.589 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCOC(C)(C)C2)CC1 ZINC000540738208 530475514 /nfs/dbraw/zinc/47/55/14/530475514.db2.gz XQUQCKNCNYKFPJ-UHFFFAOYSA-N 1 2 376.523 -0.078 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+](C)CCNC(=O)N(C)C)S(C)(=O)=O ZINC000540825521 530475485 /nfs/dbraw/zinc/47/54/85/530475485.db2.gz VBKHBGKYVPFZRM-UHFFFAOYSA-N 1 2 379.527 -0.634 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+](C)CCNC(=O)N(C)C)S(C)(=O)=O ZINC000540825521 530475483 /nfs/dbraw/zinc/47/54/83/530475483.db2.gz VBKHBGKYVPFZRM-UHFFFAOYSA-N 1 2 379.527 -0.634 20 0 GBADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCO[C@H]3CCCCO3)CC2)CC1 ZINC000541590687 530476174 /nfs/dbraw/zinc/47/61/74/530476174.db2.gz IYHLTXVJIKQEDG-INIZCTEOSA-N 1 2 376.523 -0.361 20 0 GBADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCO[C@@H]3CCCCO3)CC2)CC1 ZINC000541590688 530476342 /nfs/dbraw/zinc/47/63/42/530476342.db2.gz IYHLTXVJIKQEDG-MRXNPFEDSA-N 1 2 376.523 -0.361 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)S(N)(=O)=O ZINC000541915220 530476797 /nfs/dbraw/zinc/47/67/97/530476797.db2.gz CUGYFBZMAMHNRB-GWCFXTLKSA-N 1 2 390.893 -0.148 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)S(N)(=O)=O ZINC000541915221 530476635 /nfs/dbraw/zinc/47/66/35/530476635.db2.gz CUGYFBZMAMHNRB-GXFFZTMASA-N 1 2 390.893 -0.148 20 0 GBADLO C[C@H](CNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)S(N)(=O)=O ZINC000541915222 530476868 /nfs/dbraw/zinc/47/68/68/530476868.db2.gz CUGYFBZMAMHNRB-MFKMUULPSA-N 1 2 390.893 -0.148 20 0 GBADLO C[C@H](CNC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)S(N)(=O)=O ZINC000541915223 530476764 /nfs/dbraw/zinc/47/67/64/530476764.db2.gz CUGYFBZMAMHNRB-ZWNOBZJWSA-N 1 2 390.893 -0.148 20 0 GBADLO C[C@](O)(CNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C[NH+]1CCOCC1 ZINC000542315561 530477550 /nfs/dbraw/zinc/47/75/50/530477550.db2.gz GCRDRJHPRUQOOL-HNNXBMFYSA-N 1 2 391.877 -0.200 20 0 GBADLO C[C@@](O)(CNS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1)C[NH+]1CCOCC1 ZINC000542315562 530477557 /nfs/dbraw/zinc/47/75/57/530477557.db2.gz GCRDRJHPRUQOOL-OAHLLOKOSA-N 1 2 391.877 -0.200 20 0 GBADLO CCS(=O)(=O)N1CCC(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000542545831 530478011 /nfs/dbraw/zinc/47/80/11/530478011.db2.gz SCFYKEILZIMGID-HNNXBMFYSA-N 1 2 375.539 -0.407 20 0 GBADLO CCS(=O)(=O)N1CCC(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000542545831 530478009 /nfs/dbraw/zinc/47/80/09/530478009.db2.gz SCFYKEILZIMGID-HNNXBMFYSA-N 1 2 375.539 -0.407 20 0 GBADLO CCS(=O)(=O)N1CCC(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000542545853 530477848 /nfs/dbraw/zinc/47/78/48/530477848.db2.gz SCFYKEILZIMGID-OAHLLOKOSA-N 1 2 375.539 -0.407 20 0 GBADLO CCS(=O)(=O)N1CCC(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000542545853 530477846 /nfs/dbraw/zinc/47/78/46/530477846.db2.gz SCFYKEILZIMGID-OAHLLOKOSA-N 1 2 375.539 -0.407 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000544024036 530479038 /nfs/dbraw/zinc/47/90/38/530479038.db2.gz MNFOUFZDLBKIMA-CHWSQXEVSA-N 1 2 376.500 -0.033 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000544024039 530479752 /nfs/dbraw/zinc/47/97/52/530479752.db2.gz MNFOUFZDLBKIMA-OLZOCXBDSA-N 1 2 376.500 -0.033 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000544024041 530479380 /nfs/dbraw/zinc/47/93/80/530479380.db2.gz MNFOUFZDLBKIMA-QWHCGFSZSA-N 1 2 376.500 -0.033 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000544024042 530479759 /nfs/dbraw/zinc/47/97/59/530479759.db2.gz MNFOUFZDLBKIMA-STQMWFEESA-N 1 2 376.500 -0.033 20 0 GBADLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000544410776 530479602 /nfs/dbraw/zinc/47/96/02/530479602.db2.gz ZXDSGWZYPWZCMZ-DAOPMYJZSA-N 1 2 375.516 -0.309 20 0 GBADLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000544410776 530479600 /nfs/dbraw/zinc/47/96/00/530479600.db2.gz ZXDSGWZYPWZCMZ-DAOPMYJZSA-N 1 2 375.516 -0.309 20 0 GBADLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000544410777 530479769 /nfs/dbraw/zinc/47/97/69/530479769.db2.gz ZXDSGWZYPWZCMZ-MYODQAERSA-N 1 2 375.516 -0.309 20 0 GBADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000544410777 530479768 /nfs/dbraw/zinc/47/97/68/530479768.db2.gz ZXDSGWZYPWZCMZ-MYODQAERSA-N 1 2 375.516 -0.309 20 0 GBADLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000544410778 530479472 /nfs/dbraw/zinc/47/94/72/530479472.db2.gz ZXDSGWZYPWZCMZ-SFDCACGMSA-N 1 2 375.516 -0.309 20 0 GBADLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000544410778 530479469 /nfs/dbraw/zinc/47/94/69/530479469.db2.gz ZXDSGWZYPWZCMZ-SFDCACGMSA-N 1 2 375.516 -0.309 20 0 GBADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000544410779 530479742 /nfs/dbraw/zinc/47/97/42/530479742.db2.gz ZXDSGWZYPWZCMZ-SPSFWMDKSA-N 1 2 375.516 -0.309 20 0 GBADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000544410779 530479740 /nfs/dbraw/zinc/47/97/40/530479740.db2.gz ZXDSGWZYPWZCMZ-SPSFWMDKSA-N 1 2 375.516 -0.309 20 0 GBADLO COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cn1 ZINC000544725521 1073680462 /nfs/dbraw/zinc/68/04/62/1073680462.db2.gz LRXHPXHSHAMUGT-UHFFFAOYSA-N 1 2 380.430 -0.335 20 0 GBADLO COC(=O)C1CC[NH+](CCCNS(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000544728344 530480146 /nfs/dbraw/zinc/48/01/46/530480146.db2.gz ZXOVCSNKVIFZDO-UHFFFAOYSA-N 1 2 384.520 -0.384 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cncnc1 ZINC000544857061 1072240921 /nfs/dbraw/zinc/24/09/21/1072240921.db2.gz YINBWCVQLRICRA-UHFFFAOYSA-N 1 2 376.442 -0.247 20 0 GBADLO O=C(N1CCC(N2CCS(=O)(=O)CC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000544943272 1072169203 /nfs/dbraw/zinc/16/92/03/1072169203.db2.gz QFHTXIMCZANWLC-UHFFFAOYSA-N 1 2 385.530 -0.037 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000545198808 530480406 /nfs/dbraw/zinc/48/04/06/530480406.db2.gz BXGYTOHDBBFPCM-KBPBESRZSA-N 1 2 398.547 -0.044 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000545198809 530480319 /nfs/dbraw/zinc/48/03/19/530480319.db2.gz BXGYTOHDBBFPCM-KGLIPLIRSA-N 1 2 398.547 -0.044 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000545198810 530480579 /nfs/dbraw/zinc/48/05/79/530480579.db2.gz BXGYTOHDBBFPCM-UONOGXRCSA-N 1 2 398.547 -0.044 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000545198811 530480346 /nfs/dbraw/zinc/48/03/46/530480346.db2.gz BXGYTOHDBBFPCM-ZIAGYGMSSA-N 1 2 398.547 -0.044 20 0 GBADLO NS(=O)(=O)CC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000545208543 530480448 /nfs/dbraw/zinc/48/04/48/530480448.db2.gz DDGFSWXSLIGSNO-UHFFFAOYSA-N 1 2 397.242 -0.508 20 0 GBADLO CCS(=O)(=O)N1CCC(CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000545210079 530480586 /nfs/dbraw/zinc/48/05/86/530480586.db2.gz KEZQGLCJJHXQHR-UHFFFAOYSA-N 1 2 397.563 -0.310 20 0 GBADLO CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000545210246 530480570 /nfs/dbraw/zinc/48/05/70/530480570.db2.gz HTTNZQBPXULBFC-KBPBESRZSA-N 1 2 383.536 -0.654 20 0 GBADLO CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000545210249 530480459 /nfs/dbraw/zinc/48/04/59/530480459.db2.gz HTTNZQBPXULBFC-KGLIPLIRSA-N 1 2 383.536 -0.654 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000545210250 530480544 /nfs/dbraw/zinc/48/05/44/530480544.db2.gz HTTNZQBPXULBFC-UONOGXRCSA-N 1 2 383.536 -0.654 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000545210251 530480518 /nfs/dbraw/zinc/48/05/18/530480518.db2.gz HTTNZQBPXULBFC-ZIAGYGMSSA-N 1 2 383.536 -0.654 20 0 GBADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000545413751 1073219157 /nfs/dbraw/zinc/21/91/57/1073219157.db2.gz ALCFJGMEWQHPHM-INIZCTEOSA-N 1 2 387.440 -0.036 20 0 GBADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000545413752 1073219136 /nfs/dbraw/zinc/21/91/36/1073219136.db2.gz ALCFJGMEWQHPHM-MRXNPFEDSA-N 1 2 387.440 -0.036 20 0 GBADLO O=C(NC1CC1)N[C@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000546218842 1073054474 /nfs/dbraw/zinc/05/44/74/1073054474.db2.gz ZGWKTNOWWCRUEJ-HNNXBMFYSA-N 1 2 391.476 0.283 20 0 GBADLO NS(=O)(=O)Nc1cccc(NS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000546620913 530481262 /nfs/dbraw/zinc/48/12/62/530481262.db2.gz WPGMGSWAGJQNPQ-UHFFFAOYSA-N 1 2 378.476 -0.234 20 0 GBADLO COC(=O)[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)C1CCOCC1 ZINC000546621353 530481316 /nfs/dbraw/zinc/48/13/16/530481316.db2.gz XBAQOGPKXVDDKX-HNNXBMFYSA-N 1 2 378.491 -0.156 20 0 GBADLO COC(=O)[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)C1CCOCC1 ZINC000546621363 530481265 /nfs/dbraw/zinc/48/12/65/530481265.db2.gz XBAQOGPKXVDDKX-OAHLLOKOSA-N 1 2 378.491 -0.156 20 0 GBADLO CCOC(=O)[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)[C@@H]1CCCOC1 ZINC000546624519 530481198 /nfs/dbraw/zinc/48/11/98/530481198.db2.gz LKYFJHLXVCTLFC-CABCVRRESA-N 1 2 378.491 -0.014 20 0 GBADLO CCOC(=O)[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000546624520 530481157 /nfs/dbraw/zinc/48/11/57/530481157.db2.gz LKYFJHLXVCTLFC-GJZGRUSLSA-N 1 2 378.491 -0.014 20 0 GBADLO CCOC(=O)[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)[C@@H]1CCCOC1 ZINC000546624521 530481334 /nfs/dbraw/zinc/48/13/34/530481334.db2.gz LKYFJHLXVCTLFC-HUUCEWRRSA-N 1 2 378.491 -0.014 20 0 GBADLO CCOC(=O)[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000546624522 530481356 /nfs/dbraw/zinc/48/13/56/530481356.db2.gz LKYFJHLXVCTLFC-LSDHHAIUSA-N 1 2 378.491 -0.014 20 0 GBADLO CC(C)(CS(C)(=O)=O)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000546828554 530481729 /nfs/dbraw/zinc/48/17/29/530481729.db2.gz DNXSSTDSVCXFDN-CYBMUJFWSA-N 1 2 375.491 -0.894 20 0 GBADLO CC(C)(CS(C)(=O)=O)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000546828555 530481670 /nfs/dbraw/zinc/48/16/70/530481670.db2.gz DNXSSTDSVCXFDN-ZDUSSCGKSA-N 1 2 375.491 -0.894 20 0 GBADLO NS(=O)(=O)c1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)s1 ZINC000547326501 530481633 /nfs/dbraw/zinc/48/16/33/530481633.db2.gz GPTPPDGQSNACNM-UHFFFAOYSA-N 1 2 383.517 -0.463 20 0 GBADLO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547630878 1072141456 /nfs/dbraw/zinc/14/14/56/1072141456.db2.gz FLJZDOVMKNHUJJ-KBPBESRZSA-N 1 2 385.490 -0.014 20 0 GBADLO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547630879 1072141493 /nfs/dbraw/zinc/14/14/93/1072141493.db2.gz FLJZDOVMKNHUJJ-KGLIPLIRSA-N 1 2 385.490 -0.014 20 0 GBADLO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547630880 1072141565 /nfs/dbraw/zinc/14/15/65/1072141565.db2.gz FLJZDOVMKNHUJJ-UONOGXRCSA-N 1 2 385.490 -0.014 20 0 GBADLO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547630881 1072141461 /nfs/dbraw/zinc/14/14/61/1072141461.db2.gz FLJZDOVMKNHUJJ-ZIAGYGMSSA-N 1 2 385.490 -0.014 20 0 GBADLO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000547651727 1072156025 /nfs/dbraw/zinc/15/60/25/1072156025.db2.gz SJROKVFPTIVXSX-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000547651825 1072155980 /nfs/dbraw/zinc/15/59/80/1072155980.db2.gz XRGQCANLSDIQOP-CYBMUJFWSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000547651825 1072155977 /nfs/dbraw/zinc/15/59/77/1072155977.db2.gz XRGQCANLSDIQOP-CYBMUJFWSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000547651826 1072156175 /nfs/dbraw/zinc/15/61/75/1072156175.db2.gz XRGQCANLSDIQOP-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000547651826 1072156167 /nfs/dbraw/zinc/15/61/67/1072156167.db2.gz XRGQCANLSDIQOP-ZDUSSCGKSA-N 1 2 383.470 -0.138 20 0 GBADLO Cc1cnn(-c2c(C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c(C)nn2C)c1 ZINC000547652596 1072155097 /nfs/dbraw/zinc/15/50/97/1072155097.db2.gz CMWVLAAARPGXAG-HNNXBMFYSA-N 1 2 376.461 -0.012 20 0 GBADLO Cc1cnn(-c2c(C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c(C)nn2C)c1 ZINC000547652598 1072155297 /nfs/dbraw/zinc/15/52/97/1072155297.db2.gz CMWVLAAARPGXAG-OAHLLOKOSA-N 1 2 376.461 -0.012 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000547674924 1072178577 /nfs/dbraw/zinc/17/85/77/1072178577.db2.gz UFXUUIQFVKDVKE-CYBMUJFWSA-N 1 2 388.428 -0.799 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000547674925 1072178511 /nfs/dbraw/zinc/17/85/11/1072178511.db2.gz UFXUUIQFVKDVKE-ZDUSSCGKSA-N 1 2 388.428 -0.799 20 0 GBADLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000547686665 1072187619 /nfs/dbraw/zinc/18/76/19/1072187619.db2.gz HWLDMKNWCYRQCI-VYDXJSESSA-N 1 2 391.472 -0.453 20 0 GBADLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000547686666 1072187376 /nfs/dbraw/zinc/18/73/76/1072187376.db2.gz HWLDMKNWCYRQCI-ZOBUZTSGSA-N 1 2 391.472 -0.453 20 0 GBADLO CC1(C)C[N@@H+](CCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000547712578 530482738 /nfs/dbraw/zinc/48/27/38/530482738.db2.gz CGKSDSLDYIYOMF-UHFFFAOYSA-N 1 2 377.488 -0.277 20 0 GBADLO CC1(C)C[N@H+](CCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000547712578 530482737 /nfs/dbraw/zinc/48/27/37/530482737.db2.gz CGKSDSLDYIYOMF-UHFFFAOYSA-N 1 2 377.488 -0.277 20 0 GBADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547716065 530482713 /nfs/dbraw/zinc/48/27/13/530482713.db2.gz GEGLDKNOGDCOIA-GFCCVEGCSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547716065 530482712 /nfs/dbraw/zinc/48/27/12/530482712.db2.gz GEGLDKNOGDCOIA-GFCCVEGCSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547716066 530482742 /nfs/dbraw/zinc/48/27/42/530482742.db2.gz GEGLDKNOGDCOIA-LBPRGKRZSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547716066 530482741 /nfs/dbraw/zinc/48/27/41/530482741.db2.gz GEGLDKNOGDCOIA-LBPRGKRZSA-N 1 2 391.515 -0.200 20 0 GBADLO CCN(C1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1)S(C)(=O)=O ZINC000547730617 530482710 /nfs/dbraw/zinc/48/27/10/530482710.db2.gz FHRHLPKFVPZZDC-UHFFFAOYSA-N 1 2 376.523 -0.285 20 0 GBADLO CCN(C1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC1)S(C)(=O)=O ZINC000547730617 530482709 /nfs/dbraw/zinc/48/27/09/530482709.db2.gz FHRHLPKFVPZZDC-UHFFFAOYSA-N 1 2 376.523 -0.285 20 0 GBADLO O=C(CN1CCOCC1=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000547732282 1072227001 /nfs/dbraw/zinc/22/70/01/1072227001.db2.gz QSBQBSPXLZWQJQ-UHFFFAOYSA-N 1 2 375.429 -0.905 20 0 GBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)CC1 ZINC000547754618 1072237905 /nfs/dbraw/zinc/23/79/05/1072237905.db2.gz FSPPMESISZKXDH-UHFFFAOYSA-N 1 2 384.506 -0.676 20 0 GBADLO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000547757848 1072240949 /nfs/dbraw/zinc/24/09/49/1072240949.db2.gz MFLTUVFWLQKZSX-UHFFFAOYSA-N 1 2 399.469 -0.818 20 0 GBADLO C[C@H](CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)[NH+]1CCN(C)CC1 ZINC000547758318 1072240351 /nfs/dbraw/zinc/24/03/51/1072240351.db2.gz FSDUPGBOAPHCMH-CYBMUJFWSA-N 1 2 394.501 -0.407 20 0 GBADLO C[C@@H](CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)[NH+]1CCN(C)CC1 ZINC000547758319 1072240387 /nfs/dbraw/zinc/24/03/87/1072240387.db2.gz FSDUPGBOAPHCMH-ZDUSSCGKSA-N 1 2 394.501 -0.407 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCc2c[nH+]cn2C)c1 ZINC000547805612 1072271750 /nfs/dbraw/zinc/27/17/50/1072271750.db2.gz ZFFIDAWFJYYFDK-UHFFFAOYSA-N 1 2 393.469 -0.241 20 0 GBADLO COc1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1-n1cnnn1 ZINC000547857579 1072296490 /nfs/dbraw/zinc/29/64/90/1072296490.db2.gz OMMRSSQIGYHRAN-UHFFFAOYSA-N 1 2 383.416 -0.280 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCc1c[nH+]cn1C ZINC000547861399 1072297378 /nfs/dbraw/zinc/29/73/78/1072297378.db2.gz YZRLWZCQDRBTON-LLVKDONJSA-N 1 2 379.442 -0.455 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCc1c[nH+]cn1C ZINC000547861400 1072297474 /nfs/dbraw/zinc/29/74/74/1072297474.db2.gz YZRLWZCQDRBTON-NSHDSACASA-N 1 2 379.442 -0.455 20 0 GBADLO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccnc(S(N)(=O)=O)c3)CC2)cn1 ZINC000547866648 1072297498 /nfs/dbraw/zinc/29/74/98/1072297498.db2.gz KEGRZMFIMVWRRT-UHFFFAOYSA-N 1 2 378.458 -0.189 20 0 GBADLO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccnc(S(N)(=O)=O)c3)CC2)cn1 ZINC000547866648 1072297493 /nfs/dbraw/zinc/29/74/93/1072297493.db2.gz KEGRZMFIMVWRRT-UHFFFAOYSA-N 1 2 378.458 -0.189 20 0 GBADLO CCN1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1=O ZINC000547953309 1072321770 /nfs/dbraw/zinc/32/17/70/1072321770.db2.gz GAFWGTHHVXTERP-HNNXBMFYSA-N 1 2 375.477 -0.139 20 0 GBADLO CCN1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1=O ZINC000547953310 1072321586 /nfs/dbraw/zinc/32/15/86/1072321586.db2.gz GAFWGTHHVXTERP-OAHLLOKOSA-N 1 2 375.477 -0.139 20 0 GBADLO Cc1cc(NC(=O)CN2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)no1 ZINC000547953827 1072321313 /nfs/dbraw/zinc/32/13/13/1072321313.db2.gz UTXYGPYKOMHJID-AWEZNQCLSA-N 1 2 387.444 0.460 20 0 GBADLO Cc1cc(NC(=O)CN2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)no1 ZINC000547953828 1072321725 /nfs/dbraw/zinc/32/17/25/1072321725.db2.gz UTXYGPYKOMHJID-CQSZACIVSA-N 1 2 387.444 0.460 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000547976426 1072332018 /nfs/dbraw/zinc/33/20/18/1072332018.db2.gz ZYVVSQSWJKZODH-BBRMVZONSA-N 1 2 391.424 -0.521 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000547976426 1072332007 /nfs/dbraw/zinc/33/20/07/1072332007.db2.gz ZYVVSQSWJKZODH-BBRMVZONSA-N 1 2 391.424 -0.521 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000547976427 1072331561 /nfs/dbraw/zinc/33/15/61/1072331561.db2.gz ZYVVSQSWJKZODH-CJNGLKHVSA-N 1 2 391.424 -0.521 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000547976427 1072331548 /nfs/dbraw/zinc/33/15/48/1072331548.db2.gz ZYVVSQSWJKZODH-CJNGLKHVSA-N 1 2 391.424 -0.521 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000547976428 1072331764 /nfs/dbraw/zinc/33/17/64/1072331764.db2.gz ZYVVSQSWJKZODH-CZUORRHYSA-N 1 2 391.424 -0.521 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000547976428 1072331760 /nfs/dbraw/zinc/33/17/60/1072331760.db2.gz ZYVVSQSWJKZODH-CZUORRHYSA-N 1 2 391.424 -0.521 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000547976429 1072333044 /nfs/dbraw/zinc/33/30/44/1072333044.db2.gz ZYVVSQSWJKZODH-XJKSGUPXSA-N 1 2 391.424 -0.521 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000547976429 1072333035 /nfs/dbraw/zinc/33/30/35/1072333035.db2.gz ZYVVSQSWJKZODH-XJKSGUPXSA-N 1 2 391.424 -0.521 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 ZINC000547976563 1072332725 /nfs/dbraw/zinc/33/27/25/1072332725.db2.gz SHPXJVPTVRSSRQ-ZDUSSCGKSA-N 1 2 399.451 -0.194 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC[N@H+]1CCO ZINC000547976778 1072332614 /nfs/dbraw/zinc/33/26/14/1072332614.db2.gz DYXLROHDYIEBPK-HNNXBMFYSA-N 1 2 376.457 -0.013 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC[N@@H+]1CCO ZINC000547976778 1072332600 /nfs/dbraw/zinc/33/26/00/1072332600.db2.gz DYXLROHDYIEBPK-HNNXBMFYSA-N 1 2 376.457 -0.013 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC[N@H+]1CCO ZINC000547976779 1072332781 /nfs/dbraw/zinc/33/27/81/1072332781.db2.gz DYXLROHDYIEBPK-OAHLLOKOSA-N 1 2 376.457 -0.013 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC[N@@H+]1CCO ZINC000547976779 1072332768 /nfs/dbraw/zinc/33/27/68/1072332768.db2.gz DYXLROHDYIEBPK-OAHLLOKOSA-N 1 2 376.457 -0.013 20 0 GBADLO CN1CCN(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000548032263 1072395436 /nfs/dbraw/zinc/39/54/36/1072395436.db2.gz MLFBCNRUFGYBSC-UHFFFAOYSA-N 1 2 388.472 -0.990 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@H+]1CC(C)(C)O ZINC000548046523 530483887 /nfs/dbraw/zinc/48/38/87/530483887.db2.gz VDZWWHFPDJTPSA-GFCCVEGCSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000548046523 530483886 /nfs/dbraw/zinc/48/38/86/530483886.db2.gz VDZWWHFPDJTPSA-GFCCVEGCSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@H+]1CC(C)(C)O ZINC000548046524 530484114 /nfs/dbraw/zinc/48/41/14/530484114.db2.gz VDZWWHFPDJTPSA-LBPRGKRZSA-N 1 2 391.515 -0.200 20 0 GBADLO C[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000548046524 530484111 /nfs/dbraw/zinc/48/41/11/530484111.db2.gz VDZWWHFPDJTPSA-LBPRGKRZSA-N 1 2 391.515 -0.200 20 0 GBADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000548095800 530483834 /nfs/dbraw/zinc/48/38/34/530483834.db2.gz AZDKDFLDARLFTF-UHFFFAOYSA-N 1 2 390.487 -0.563 20 0 GBADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000548123488 1072479344 /nfs/dbraw/zinc/47/93/44/1072479344.db2.gz CZRVNFXQQAXCSA-DLBZAZTESA-N 1 2 390.465 -0.212 20 0 GBADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000548123489 1072479128 /nfs/dbraw/zinc/47/91/28/1072479128.db2.gz CZRVNFXQQAXCSA-IAGOWNOFSA-N 1 2 390.465 -0.212 20 0 GBADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000548123490 1072479151 /nfs/dbraw/zinc/47/91/51/1072479151.db2.gz CZRVNFXQQAXCSA-IRXDYDNUSA-N 1 2 390.465 -0.212 20 0 GBADLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000548123491 1072479486 /nfs/dbraw/zinc/47/94/86/1072479486.db2.gz CZRVNFXQQAXCSA-SJORKVTESA-N 1 2 390.465 -0.212 20 0 GBADLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000548132326 1072485210 /nfs/dbraw/zinc/48/52/10/1072485210.db2.gz DWCYMGBTBHSTEW-GFCCVEGCSA-N 1 2 391.453 -0.221 20 0 GBADLO Cn1c[nH+]cc1CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000548132327 1072485019 /nfs/dbraw/zinc/48/50/19/1072485019.db2.gz DWCYMGBTBHSTEW-LBPRGKRZSA-N 1 2 391.453 -0.221 20 0 GBADLO COCc1nc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)co1 ZINC000548162115 1072574638 /nfs/dbraw/zinc/57/46/38/1072574638.db2.gz GTJZKOABLRWACK-UHFFFAOYSA-N 1 2 387.462 -0.929 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(O)CCOCC1 ZINC000548180762 1072594577 /nfs/dbraw/zinc/59/45/77/1072594577.db2.gz MUKJKOFPWZUYCN-UHFFFAOYSA-N 1 2 391.472 -0.039 20 0 GBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000548282460 1072185762 /nfs/dbraw/zinc/18/57/62/1072185762.db2.gz KJJUEMZWACVTAO-AWEZNQCLSA-N 1 2 398.489 -0.898 20 0 GBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000548282465 1072185876 /nfs/dbraw/zinc/18/58/76/1072185876.db2.gz KJJUEMZWACVTAO-CQSZACIVSA-N 1 2 398.489 -0.898 20 0 GBADLO CCOC(=O)c1cnc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000548285003 1072186572 /nfs/dbraw/zinc/18/65/72/1072186572.db2.gz CMSRGNOKNNLAPX-UHFFFAOYSA-N 1 2 398.489 -0.733 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000548303699 1072192499 /nfs/dbraw/zinc/19/24/99/1072192499.db2.gz IDOORHCHSMQREQ-HNNXBMFYSA-N 1 2 376.457 -0.013 20 0 GBADLO C[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC[N@H+]1CCO ZINC000548313123 1072194344 /nfs/dbraw/zinc/19/43/44/1072194344.db2.gz GSSGYLGGGRCACV-HNNXBMFYSA-N 1 2 397.497 -0.154 20 0 GBADLO C[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC[N@@H+]1CCO ZINC000548313123 1072194342 /nfs/dbraw/zinc/19/43/42/1072194342.db2.gz GSSGYLGGGRCACV-HNNXBMFYSA-N 1 2 397.497 -0.154 20 0 GBADLO C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC[N@H+]1CCO ZINC000548313126 1072194187 /nfs/dbraw/zinc/19/41/87/1072194187.db2.gz GSSGYLGGGRCACV-OAHLLOKOSA-N 1 2 397.497 -0.154 20 0 GBADLO C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC[N@@H+]1CCO ZINC000548313126 1072194181 /nfs/dbraw/zinc/19/41/81/1072194181.db2.gz GSSGYLGGGRCACV-OAHLLOKOSA-N 1 2 397.497 -0.154 20 0 GBADLO Cn1nccc1N1CCC[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1=O ZINC000548335096 1072199915 /nfs/dbraw/zinc/19/99/15/1072199915.db2.gz JNFUSANRLOCWNG-AWEZNQCLSA-N 1 2 385.490 -0.443 20 0 GBADLO Cn1nccc1N1CCC[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1=O ZINC000548335102 1072199972 /nfs/dbraw/zinc/19/99/72/1072199972.db2.gz JNFUSANRLOCWNG-CQSZACIVSA-N 1 2 385.490 -0.443 20 0 GBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000548353291 530484977 /nfs/dbraw/zinc/48/49/77/530484977.db2.gz KPLQLBLGMDYMRQ-CABCVRRESA-N 1 2 375.491 -0.448 20 0 GBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000548353291 530484975 /nfs/dbraw/zinc/48/49/75/530484975.db2.gz KPLQLBLGMDYMRQ-CABCVRRESA-N 1 2 375.491 -0.448 20 0 GBADLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000548353292 530485199 /nfs/dbraw/zinc/48/51/99/530485199.db2.gz KPLQLBLGMDYMRQ-GJZGRUSLSA-N 1 2 375.491 -0.448 20 0 GBADLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000548353292 530485197 /nfs/dbraw/zinc/48/51/97/530485197.db2.gz KPLQLBLGMDYMRQ-GJZGRUSLSA-N 1 2 375.491 -0.448 20 0 GBADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000548353293 530485026 /nfs/dbraw/zinc/48/50/26/530485026.db2.gz KPLQLBLGMDYMRQ-HUUCEWRRSA-N 1 2 375.491 -0.448 20 0 GBADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000548353293 530485025 /nfs/dbraw/zinc/48/50/25/530485025.db2.gz KPLQLBLGMDYMRQ-HUUCEWRRSA-N 1 2 375.491 -0.448 20 0 GBADLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000548353294 530485003 /nfs/dbraw/zinc/48/50/03/530485003.db2.gz KPLQLBLGMDYMRQ-LSDHHAIUSA-N 1 2 375.491 -0.448 20 0 GBADLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000548353294 530485002 /nfs/dbraw/zinc/48/50/02/530485002.db2.gz KPLQLBLGMDYMRQ-LSDHHAIUSA-N 1 2 375.491 -0.448 20 0 GBADLO COCCO[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000548357252 1072204940 /nfs/dbraw/zinc/20/49/40/1072204940.db2.gz ZJLPQEHMFUWLFW-DZGCQCFKSA-N 1 2 397.453 -0.297 20 0 GBADLO COCCO[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000548357252 1072204934 /nfs/dbraw/zinc/20/49/34/1072204934.db2.gz ZJLPQEHMFUWLFW-DZGCQCFKSA-N 1 2 397.453 -0.297 20 0 GBADLO COCCO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000548357257 1072204494 /nfs/dbraw/zinc/20/44/94/1072204494.db2.gz ZJLPQEHMFUWLFW-HIFRSBDPSA-N 1 2 397.453 -0.297 20 0 GBADLO COCCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000548357257 1072204487 /nfs/dbraw/zinc/20/44/87/1072204487.db2.gz ZJLPQEHMFUWLFW-HIFRSBDPSA-N 1 2 397.453 -0.297 20 0 GBADLO COCCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000548357258 1072204380 /nfs/dbraw/zinc/20/43/80/1072204380.db2.gz ZJLPQEHMFUWLFW-UKRRQHHQSA-N 1 2 397.453 -0.297 20 0 GBADLO COCCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000548357258 1072204369 /nfs/dbraw/zinc/20/43/69/1072204369.db2.gz ZJLPQEHMFUWLFW-UKRRQHHQSA-N 1 2 397.453 -0.297 20 0 GBADLO COCCO[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000548357259 1072204813 /nfs/dbraw/zinc/20/48/13/1072204813.db2.gz ZJLPQEHMFUWLFW-ZFWWWQNUSA-N 1 2 397.453 -0.297 20 0 GBADLO COCCO[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000548357259 1072204806 /nfs/dbraw/zinc/20/48/06/1072204806.db2.gz ZJLPQEHMFUWLFW-ZFWWWQNUSA-N 1 2 397.453 -0.297 20 0 GBADLO C[C@@](O)(Cn1ccccc1=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000548389018 1072215935 /nfs/dbraw/zinc/21/59/35/1072215935.db2.gz YFLORGYSRSPYSW-MSOLQXFVSA-N 1 2 381.498 -0.077 20 0 GBADLO C[C@@](O)(Cn1ccccc1=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000548389019 1072216097 /nfs/dbraw/zinc/21/60/97/1072216097.db2.gz YFLORGYSRSPYSW-QZTJIDSGSA-N 1 2 381.498 -0.077 20 0 GBADLO C[C@](O)(Cn1ccccc1=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000548389020 1072216328 /nfs/dbraw/zinc/21/63/28/1072216328.db2.gz YFLORGYSRSPYSW-ROUUACIJSA-N 1 2 381.498 -0.077 20 0 GBADLO C[C@](O)(Cn1ccccc1=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000548389022 1072216404 /nfs/dbraw/zinc/21/64/04/1072216404.db2.gz YFLORGYSRSPYSW-ZWKOTPCHSA-N 1 2 381.498 -0.077 20 0 GBADLO C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000548389508 1072217042 /nfs/dbraw/zinc/21/70/42/1072217042.db2.gz DIANYTLUUMCTIE-FQEVSTJZSA-N 1 2 390.484 -0.244 20 0 GBADLO C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000548389508 1072217034 /nfs/dbraw/zinc/21/70/34/1072217034.db2.gz DIANYTLUUMCTIE-FQEVSTJZSA-N 1 2 390.484 -0.244 20 0 GBADLO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000548389510 1072217125 /nfs/dbraw/zinc/21/71/25/1072217125.db2.gz DIANYTLUUMCTIE-HXUWFJFHSA-N 1 2 390.484 -0.244 20 0 GBADLO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000548389510 1072217119 /nfs/dbraw/zinc/21/71/19/1072217119.db2.gz DIANYTLUUMCTIE-HXUWFJFHSA-N 1 2 390.484 -0.244 20 0 GBADLO COC(=O)[C@@H](NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC000548398650 1072222668 /nfs/dbraw/zinc/22/26/68/1072222668.db2.gz ZBBPSFOJUAYFAC-HNNXBMFYSA-N 1 2 389.460 -0.201 20 0 GBADLO COC(=O)[C@H](NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC000548398651 1072222743 /nfs/dbraw/zinc/22/27/43/1072222743.db2.gz ZBBPSFOJUAYFAC-OAHLLOKOSA-N 1 2 389.460 -0.201 20 0 GBADLO CN(CC[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000548414225 1072226870 /nfs/dbraw/zinc/22/68/70/1072226870.db2.gz FBPBQYZXJXFHJV-UHFFFAOYSA-N 1 2 381.458 -0.368 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000548420200 1072230580 /nfs/dbraw/zinc/23/05/80/1072230580.db2.gz JABAUFUXPMFVCJ-CYBMUJFWSA-N 1 2 394.501 -0.407 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000548420201 1072230537 /nfs/dbraw/zinc/23/05/37/1072230537.db2.gz JABAUFUXPMFVCJ-ZDUSSCGKSA-N 1 2 394.501 -0.407 20 0 GBADLO CS(=O)(=O)C1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000548427219 1072232900 /nfs/dbraw/zinc/23/29/00/1072232900.db2.gz PINPASMBWFMANX-UHFFFAOYSA-N 1 2 395.485 -0.461 20 0 GBADLO CS(=O)(=O)C1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000548427219 1072232896 /nfs/dbraw/zinc/23/28/96/1072232896.db2.gz PINPASMBWFMANX-UHFFFAOYSA-N 1 2 395.485 -0.461 20 0 GBADLO O=C(CCNC(=O)N1CCn2ncnc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000548429327 1072232856 /nfs/dbraw/zinc/23/28/56/1072232856.db2.gz HLVLOEXETCRIPO-UHFFFAOYSA-N 1 2 384.444 -0.063 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)NC2CC2)CC1 ZINC000548447625 530485082 /nfs/dbraw/zinc/48/50/82/530485082.db2.gz FCSLHIWBIUQVSZ-UHFFFAOYSA-N 1 2 388.515 -0.291 20 0 GBADLO COc1cc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nn1C ZINC000548455819 1072242570 /nfs/dbraw/zinc/24/25/70/1072242570.db2.gz IGGOZQODVWPEBE-UHFFFAOYSA-N 1 2 392.460 -0.476 20 0 GBADLO COc1cc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nn1C ZINC000548455819 1072242566 /nfs/dbraw/zinc/24/25/66/1072242566.db2.gz IGGOZQODVWPEBE-UHFFFAOYSA-N 1 2 392.460 -0.476 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cc(OC)n(C)n2)CC1 ZINC000548456037 1072241470 /nfs/dbraw/zinc/24/14/70/1072241470.db2.gz XCKWNINNYKSUOO-UHFFFAOYSA-N 1 2 394.476 -0.230 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(OC)n(C)n2)CC1 ZINC000548456037 1072241463 /nfs/dbraw/zinc/24/14/63/1072241463.db2.gz XCKWNINNYKSUOO-UHFFFAOYSA-N 1 2 394.476 -0.230 20 0 GBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2c[nH+]cn2C)c1 ZINC000548460581 1072243087 /nfs/dbraw/zinc/24/30/87/1072243087.db2.gz JHZRYZGIBXBADA-UHFFFAOYSA-N 1 2 395.485 -0.029 20 0 GBADLO CC(=O)N[C@H](C)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000548468219 1072244860 /nfs/dbraw/zinc/24/48/60/1072244860.db2.gz LLPJAGWMSVTTPU-CRAIPNDOSA-N 1 2 394.516 -0.070 20 0 GBADLO CC(=O)N[C@@H](C)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000548468227 1072245350 /nfs/dbraw/zinc/24/53/50/1072245350.db2.gz LLPJAGWMSVTTPU-MAUKXSAKSA-N 1 2 394.516 -0.070 20 0 GBADLO CC(=O)N[C@H](C)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000548468229 1072244958 /nfs/dbraw/zinc/24/49/58/1072244958.db2.gz LLPJAGWMSVTTPU-QAPCUYQASA-N 1 2 394.516 -0.070 20 0 GBADLO CC(=O)N[C@@H](C)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000548468230 1072244880 /nfs/dbraw/zinc/24/48/80/1072244880.db2.gz LLPJAGWMSVTTPU-YJBOKZPZSA-N 1 2 394.516 -0.070 20 0 GBADLO Cn1c[nH+]cc1CCNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000548515442 1072280401 /nfs/dbraw/zinc/28/04/01/1072280401.db2.gz OTERNXMOQITEFE-UHFFFAOYSA-N 1 2 385.428 0.083 20 0 GBADLO Cn1c[nH+]cc1CC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000548583206 1072292445 /nfs/dbraw/zinc/29/24/45/1072292445.db2.gz RNDUWWCVSNVFSW-UHFFFAOYSA-N 1 2 377.426 -0.278 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)CC[N@H+]1CCO ZINC000548632230 1072300379 /nfs/dbraw/zinc/30/03/79/1072300379.db2.gz YEBNXNVDXXFTKN-CYBMUJFWSA-N 1 2 399.451 -0.194 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)CC[N@@H+]1CCO ZINC000548632230 1072300376 /nfs/dbraw/zinc/30/03/76/1072300376.db2.gz YEBNXNVDXXFTKN-CYBMUJFWSA-N 1 2 399.451 -0.194 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)CC[N@H+]1CCO ZINC000548632231 1072300416 /nfs/dbraw/zinc/30/04/16/1072300416.db2.gz YEBNXNVDXXFTKN-ZDUSSCGKSA-N 1 2 399.451 -0.194 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)CC[N@@H+]1CCO ZINC000548632231 1072300412 /nfs/dbraw/zinc/30/04/12/1072300412.db2.gz YEBNXNVDXXFTKN-ZDUSSCGKSA-N 1 2 399.451 -0.194 20 0 GBADLO CC(C)CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1=O ZINC000548641395 1072302493 /nfs/dbraw/zinc/30/24/93/1072302493.db2.gz FTYPUHXLNVOULX-DLBZAZTESA-N 1 2 394.516 -0.118 20 0 GBADLO CC(C)CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](C)C1=O ZINC000548641396 1072302573 /nfs/dbraw/zinc/30/25/73/1072302573.db2.gz FTYPUHXLNVOULX-IAGOWNOFSA-N 1 2 394.516 -0.118 20 0 GBADLO CC(C)CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1=O ZINC000548641397 1072302623 /nfs/dbraw/zinc/30/26/23/1072302623.db2.gz FTYPUHXLNVOULX-IRXDYDNUSA-N 1 2 394.516 -0.118 20 0 GBADLO CC(C)CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](C)C1=O ZINC000548641398 1072302411 /nfs/dbraw/zinc/30/24/11/1072302411.db2.gz FTYPUHXLNVOULX-SJORKVTESA-N 1 2 394.516 -0.118 20 0 GBADLO NC(=O)CCCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000548662390 1072308828 /nfs/dbraw/zinc/30/88/28/1072308828.db2.gz AJJFSQFDHUICFI-UHFFFAOYSA-N 1 2 397.501 -0.305 20 0 GBADLO CCn1cc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000548689431 1072317145 /nfs/dbraw/zinc/31/71/45/1072317145.db2.gz SOROWQYZCOUIIG-UHFFFAOYSA-N 1 2 384.506 -0.918 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000548704236 1072324881 /nfs/dbraw/zinc/32/48/81/1072324881.db2.gz SFQGKWQQZIVBJN-UHFFFAOYSA-N 1 2 399.451 -0.150 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2nnc(C)s2)CC1 ZINC000548781278 1072420935 /nfs/dbraw/zinc/42/09/35/1072420935.db2.gz BVRHYJFAUKGXQK-UHFFFAOYSA-N 1 2 396.517 -0.135 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2nnc(C)s2)CC1 ZINC000548781278 1072420932 /nfs/dbraw/zinc/42/09/32/1072420932.db2.gz BVRHYJFAUKGXQK-UHFFFAOYSA-N 1 2 396.517 -0.135 20 0 GBADLO Cn1c(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000548813070 1072509867 /nfs/dbraw/zinc/50/98/67/1072509867.db2.gz IDXFZJZXAHCVLP-AWEZNQCLSA-N 1 2 382.424 -0.243 20 0 GBADLO Cn1c(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000548813071 1072510119 /nfs/dbraw/zinc/51/01/19/1072510119.db2.gz IDXFZJZXAHCVLP-CQSZACIVSA-N 1 2 382.424 -0.243 20 0 GBADLO C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(=O)N1C ZINC000548900832 1072754906 /nfs/dbraw/zinc/75/49/06/1072754906.db2.gz BPVBUZYGHYTUEL-HNNXBMFYSA-N 1 2 388.472 -0.008 20 0 GBADLO C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(=O)N1C ZINC000548900836 1072755071 /nfs/dbraw/zinc/75/50/71/1072755071.db2.gz BPVBUZYGHYTUEL-OAHLLOKOSA-N 1 2 388.472 -0.008 20 0 GBADLO COCCN1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC000548930925 1072819536 /nfs/dbraw/zinc/81/95/36/1072819536.db2.gz ZHOWREFQNZDOQS-UHFFFAOYSA-N 1 2 390.484 -0.117 20 0 GBADLO CC(=O)NCC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCSCC1 ZINC000549078100 1072990417 /nfs/dbraw/zinc/99/04/17/1072990417.db2.gz MJQMKZNZJJUCCY-UHFFFAOYSA-N 1 2 397.501 -0.817 20 0 GBADLO CC(=O)NCC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCSCC1 ZINC000549078100 1072990410 /nfs/dbraw/zinc/99/04/10/1072990410.db2.gz MJQMKZNZJJUCCY-UHFFFAOYSA-N 1 2 397.501 -0.817 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000549139507 530486493 /nfs/dbraw/zinc/48/64/93/530486493.db2.gz YTJDZQQOUQEBPH-HNNXBMFYSA-N 1 2 397.563 -0.360 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000549139515 530486768 /nfs/dbraw/zinc/48/67/68/530486768.db2.gz YTJDZQQOUQEBPH-OAHLLOKOSA-N 1 2 397.563 -0.360 20 0 GBADLO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000549205893 530486764 /nfs/dbraw/zinc/48/67/64/530486764.db2.gz GSFWNBSCJZOITR-AWEZNQCLSA-N 1 2 378.472 -0.556 20 0 GBADLO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000549205893 530486763 /nfs/dbraw/zinc/48/67/63/530486763.db2.gz GSFWNBSCJZOITR-AWEZNQCLSA-N 1 2 378.472 -0.556 20 0 GBADLO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000549205894 530486771 /nfs/dbraw/zinc/48/67/71/530486771.db2.gz GSFWNBSCJZOITR-CQSZACIVSA-N 1 2 378.472 -0.556 20 0 GBADLO COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000549205894 530486770 /nfs/dbraw/zinc/48/67/70/530486770.db2.gz GSFWNBSCJZOITR-CQSZACIVSA-N 1 2 378.472 -0.556 20 0 GBADLO CCOC(=O)CC[N@@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000549223331 530486743 /nfs/dbraw/zinc/48/67/43/530486743.db2.gz MUBCRIZRBYCKBK-AWEZNQCLSA-N 1 2 375.491 -0.797 20 0 GBADLO CCOC(=O)CC[N@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000549223331 530486742 /nfs/dbraw/zinc/48/67/42/530486742.db2.gz MUBCRIZRBYCKBK-AWEZNQCLSA-N 1 2 375.491 -0.797 20 0 GBADLO CCOC(=O)CC[N@@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000549223334 530486631 /nfs/dbraw/zinc/48/66/31/530486631.db2.gz MUBCRIZRBYCKBK-CQSZACIVSA-N 1 2 375.491 -0.797 20 0 GBADLO CCOC(=O)CC[N@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000549223334 530486628 /nfs/dbraw/zinc/48/66/28/530486628.db2.gz MUBCRIZRBYCKBK-CQSZACIVSA-N 1 2 375.491 -0.797 20 0 GBADLO COC(=O)[C@H](C)C[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000549401208 530486896 /nfs/dbraw/zinc/48/68/96/530486896.db2.gz QRKOMCZPDBRIBZ-GHMZBOCLSA-N 1 2 375.447 -0.727 20 0 GBADLO COC(=O)[C@H](C)C[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000549401208 530486893 /nfs/dbraw/zinc/48/68/93/530486893.db2.gz QRKOMCZPDBRIBZ-GHMZBOCLSA-N 1 2 375.447 -0.727 20 0 GBADLO COC(=O)[C@H](C)C[N@@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000549401209 530487044 /nfs/dbraw/zinc/48/70/44/530487044.db2.gz QRKOMCZPDBRIBZ-MNOVXSKESA-N 1 2 375.447 -0.727 20 0 GBADLO COC(=O)[C@H](C)C[N@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000549401209 530487043 /nfs/dbraw/zinc/48/70/43/530487043.db2.gz QRKOMCZPDBRIBZ-MNOVXSKESA-N 1 2 375.447 -0.727 20 0 GBADLO COC(=O)[C@@H](C)C[N@@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000549401210 530487126 /nfs/dbraw/zinc/48/71/26/530487126.db2.gz QRKOMCZPDBRIBZ-QWRGUYRKSA-N 1 2 375.447 -0.727 20 0 GBADLO COC(=O)[C@@H](C)C[N@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000549401210 530487125 /nfs/dbraw/zinc/48/71/25/530487125.db2.gz QRKOMCZPDBRIBZ-QWRGUYRKSA-N 1 2 375.447 -0.727 20 0 GBADLO COC(=O)[C@@H](C)C[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000549401211 530486829 /nfs/dbraw/zinc/48/68/29/530486829.db2.gz QRKOMCZPDBRIBZ-WDEREUQCSA-N 1 2 375.447 -0.727 20 0 GBADLO COC(=O)[C@@H](C)C[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000549401211 530486827 /nfs/dbraw/zinc/48/68/27/530486827.db2.gz QRKOMCZPDBRIBZ-WDEREUQCSA-N 1 2 375.447 -0.727 20 0 GBADLO CC[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC ZINC000549625460 1073623097 /nfs/dbraw/zinc/62/30/97/1073623097.db2.gz OYPXDXHJHCAYNJ-AWEZNQCLSA-N 1 2 398.485 -0.151 20 0 GBADLO CC[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC ZINC000549625465 1073622181 /nfs/dbraw/zinc/62/21/81/1073622181.db2.gz OYPXDXHJHCAYNJ-CQSZACIVSA-N 1 2 398.485 -0.151 20 0 GBADLO CN1CC[NH+](CCCNC(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 ZINC000549738568 1073818516 /nfs/dbraw/zinc/81/85/16/1073818516.db2.gz LWYSPXMZRKDBJO-UHFFFAOYSA-N 1 2 390.456 -0.003 20 0 GBADLO C[NH+]1CCN(CCCNC(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 ZINC000549738568 1073818499 /nfs/dbraw/zinc/81/84/99/1073818499.db2.gz LWYSPXMZRKDBJO-UHFFFAOYSA-N 1 2 390.456 -0.003 20 0 GBADLO CS(=O)(=O)NCCN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000549740990 1073819180 /nfs/dbraw/zinc/81/91/80/1073819180.db2.gz QXCIPRSPBIVDCA-UHFFFAOYSA-N 1 2 381.502 -0.256 20 0 GBADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CNS(=O)(=O)NC)CCCC2)no1 ZINC000549754445 1073820420 /nfs/dbraw/zinc/82/04/20/1073820420.db2.gz JKGNAAHQDSKPNQ-UHFFFAOYSA-N 1 2 388.494 -0.149 20 0 GBADLO C[NH+]1CCN(CCNC(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 ZINC000549760363 530487207 /nfs/dbraw/zinc/48/72/07/530487207.db2.gz XTKAIQODWXTVKR-UHFFFAOYSA-N 1 2 376.429 -0.393 20 0 GBADLO CCn1nncc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000549766865 1073822967 /nfs/dbraw/zinc/82/29/67/1073822967.db2.gz FACZYXKAWYRMJM-UHFFFAOYSA-N 1 2 393.473 -0.425 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(C(F)(F)F)n1 ZINC000549772229 530487294 /nfs/dbraw/zinc/48/72/94/530487294.db2.gz AJGBWWOAQQMYPI-GFCCVEGCSA-N 1 2 386.396 -0.200 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(C(F)(F)F)n1 ZINC000549772230 530487350 /nfs/dbraw/zinc/48/73/50/530487350.db2.gz AJGBWWOAQQMYPI-LBPRGKRZSA-N 1 2 386.396 -0.200 20 0 GBADLO CNS(=O)(=O)NCC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000549775186 1073825063 /nfs/dbraw/zinc/82/50/63/1073825063.db2.gz VMXABLGMTNFOIP-HNNXBMFYSA-N 1 2 384.502 -0.210 20 0 GBADLO CNS(=O)(=O)NCC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000549775191 1073824995 /nfs/dbraw/zinc/82/49/95/1073824995.db2.gz VMXABLGMTNFOIP-OAHLLOKOSA-N 1 2 384.502 -0.210 20 0 GBADLO O=C(CCNC(=O)C(=O)NCc1cccnc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000549785668 1073825879 /nfs/dbraw/zinc/82/58/79/1073825879.db2.gz CCBOFWIJAGAGHQ-UHFFFAOYSA-N 1 2 396.451 -0.052 20 0 GBADLO Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)NCc3nnc4ccccn43)CC2)cn1 ZINC000549790936 1073827615 /nfs/dbraw/zinc/82/76/15/1073827615.db2.gz KIPIAARPTDKDNX-UHFFFAOYSA-N 1 2 396.455 -0.187 20 0 GBADLO Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NCc3nnc4ccccn43)CC2)cn1 ZINC000549790936 1073827609 /nfs/dbraw/zinc/82/76/09/1073827609.db2.gz KIPIAARPTDKDNX-UHFFFAOYSA-N 1 2 396.455 -0.187 20 0 GBADLO COCCn1nnc2c1CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)C2 ZINC000549797475 1073827768 /nfs/dbraw/zinc/82/77/68/1073827768.db2.gz MYCJJXRYPFJRAI-UHFFFAOYSA-N 1 2 380.493 -0.490 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2nnc3ccccn32)[C@H](C)C1 ZINC000549799031 1073828710 /nfs/dbraw/zinc/82/87/10/1073828710.db2.gz BTMHELIBWDVNQL-CYBMUJFWSA-N 1 2 388.428 -0.559 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2nnc3ccccn32)[C@H](C)C1 ZINC000549799031 1073828702 /nfs/dbraw/zinc/82/87/02/1073828702.db2.gz BTMHELIBWDVNQL-CYBMUJFWSA-N 1 2 388.428 -0.559 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2nnc3ccccn32)[C@@H](C)C1 ZINC000549799032 1073829082 /nfs/dbraw/zinc/82/90/82/1073829082.db2.gz BTMHELIBWDVNQL-ZDUSSCGKSA-N 1 2 388.428 -0.559 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2nnc3ccccn32)[C@@H](C)C1 ZINC000549799032 1073829075 /nfs/dbraw/zinc/82/90/75/1073829075.db2.gz BTMHELIBWDVNQL-ZDUSSCGKSA-N 1 2 388.428 -0.559 20 0 GBADLO COC[C@@H](C(N)=O)N(C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000549804373 1073828913 /nfs/dbraw/zinc/82/89/13/1073828913.db2.gz FIONRCRMYOYMRZ-KRWDZBQOSA-N 1 2 378.473 -0.229 20 0 GBADLO COC[C@@H](C(N)=O)N(C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549805076 1073830291 /nfs/dbraw/zinc/83/02/91/1073830291.db2.gz QQURYESEBDWFHY-HNNXBMFYSA-N 1 2 392.504 -0.011 20 0 GBADLO COc1ccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000549851710 1073834000 /nfs/dbraw/zinc/83/40/00/1073834000.db2.gz AQACQHFXZPCHPE-UHFFFAOYSA-N 1 2 397.501 -0.731 20 0 GBADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000549888257 1073898730 /nfs/dbraw/zinc/89/87/30/1073898730.db2.gz BCMDMTXSTMRARB-UHFFFAOYSA-N 1 2 379.442 -0.516 20 0 GBADLO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000549918132 1073939350 /nfs/dbraw/zinc/93/93/50/1073939350.db2.gz FJWYKSPOKHDVCJ-UHFFFAOYSA-N 1 2 394.453 -0.012 20 0 GBADLO O=C(CCn1cnccc1=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000549924064 1073940466 /nfs/dbraw/zinc/94/04/66/1073940466.db2.gz RJKALLNLYNSGDQ-UHFFFAOYSA-N 1 2 384.440 -0.117 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)[NH+]1CCOCC1 ZINC000549976415 1072692145 /nfs/dbraw/zinc/69/21/45/1072692145.db2.gz DQRHDKVXAXPGGM-INIZCTEOSA-N 1 2 384.521 -0.314 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)[NH+]1CCOCC1 ZINC000549976416 1072692339 /nfs/dbraw/zinc/69/23/39/1072692339.db2.gz DQRHDKVXAXPGGM-MRXNPFEDSA-N 1 2 384.521 -0.314 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000549977678 1072704555 /nfs/dbraw/zinc/70/45/55/1072704555.db2.gz JKOUWXBNEQJPOV-UHFFFAOYSA-N 1 2 384.521 -0.217 20 0 GBADLO CCn1ncnc1CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549995843 1072855307 /nfs/dbraw/zinc/85/53/07/1072855307.db2.gz YESNCAMYODORCI-INIZCTEOSA-N 1 2 386.456 -0.069 20 0 GBADLO CCn1ncnc1CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549995843 1072855285 /nfs/dbraw/zinc/85/52/85/1072855285.db2.gz YESNCAMYODORCI-INIZCTEOSA-N 1 2 386.456 -0.069 20 0 GBADLO CCn1ncnc1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549995844 1072855242 /nfs/dbraw/zinc/85/52/42/1072855242.db2.gz YESNCAMYODORCI-MRXNPFEDSA-N 1 2 386.456 -0.069 20 0 GBADLO CCn1ncnc1CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549995844 1072855227 /nfs/dbraw/zinc/85/52/27/1072855227.db2.gz YESNCAMYODORCI-MRXNPFEDSA-N 1 2 386.456 -0.069 20 0 GBADLO O=C(NCCCn1ccnn1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549999568 1072874265 /nfs/dbraw/zinc/87/42/65/1072874265.db2.gz BIIRPSNRBKKQOO-KRWDZBQOSA-N 1 2 386.456 -0.198 20 0 GBADLO O=C(NCCCn1ccnn1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549999568 1072874252 /nfs/dbraw/zinc/87/42/52/1072874252.db2.gz BIIRPSNRBKKQOO-KRWDZBQOSA-N 1 2 386.456 -0.198 20 0 GBADLO O=C(NCCCn1ccnn1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549999569 1072874948 /nfs/dbraw/zinc/87/49/48/1072874948.db2.gz BIIRPSNRBKKQOO-QGZVFWFLSA-N 1 2 386.456 -0.198 20 0 GBADLO O=C(NCCCn1ccnn1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549999569 1072874927 /nfs/dbraw/zinc/87/49/27/1072874927.db2.gz BIIRPSNRBKKQOO-QGZVFWFLSA-N 1 2 386.456 -0.198 20 0 GBADLO CC(C)(CNC(=O)CN1CCC[C@H](CS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000550031666 530487502 /nfs/dbraw/zinc/48/75/02/530487502.db2.gz NJBKCZQJVMSALN-HNNXBMFYSA-N 1 2 375.535 -0.030 20 0 GBADLO CC(C)(CNC(=O)CN1CCC[C@@H](CS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000550031667 530487494 /nfs/dbraw/zinc/48/74/94/530487494.db2.gz NJBKCZQJVMSALN-OAHLLOKOSA-N 1 2 375.535 -0.030 20 0 GBADLO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000550051899 1073014053 /nfs/dbraw/zinc/01/40/53/1073014053.db2.gz MIJBFSGJDTZZTR-UHFFFAOYSA-N 1 2 391.472 -0.336 20 0 GBADLO CCOc1ccnc(N2CCCN(C(=O)C(=O)NCCn3cc[nH+]c3)CC2)n1 ZINC000550083051 1073016995 /nfs/dbraw/zinc/01/69/95/1073016995.db2.gz SSKKRKUXIZSROX-UHFFFAOYSA-N 1 2 387.444 -0.073 20 0 GBADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NCCn2cc[nH+]c2)cn1 ZINC000550085867 1073016473 /nfs/dbraw/zinc/01/64/73/1073016473.db2.gz BBYQCWDEGUXARW-AWEZNQCLSA-N 1 2 394.457 -0.786 20 0 GBADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NCCn2cc[nH+]c2)cn1 ZINC000550085874 1073016779 /nfs/dbraw/zinc/01/67/79/1073016779.db2.gz BBYQCWDEGUXARW-CQSZACIVSA-N 1 2 394.457 -0.786 20 0 GBADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)n1C[C@H]1CCOC1 ZINC000550089804 1073017971 /nfs/dbraw/zinc/01/79/71/1073017971.db2.gz OTPAUCJHNFCZFP-DOTOQJQBSA-N 1 2 392.504 -0.008 20 0 GBADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)n1C[C@H]1CCOC1 ZINC000550089812 1073017660 /nfs/dbraw/zinc/01/76/60/1073017660.db2.gz OTPAUCJHNFCZFP-NVXWUHKLSA-N 1 2 392.504 -0.008 20 0 GBADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCOC1 ZINC000550089814 1073017503 /nfs/dbraw/zinc/01/75/03/1073017503.db2.gz OTPAUCJHNFCZFP-RDJZCZTQSA-N 1 2 392.504 -0.008 20 0 GBADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCOC1 ZINC000550089816 1073017595 /nfs/dbraw/zinc/01/75/95/1073017595.db2.gz OTPAUCJHNFCZFP-WBVHZDCISA-N 1 2 392.504 -0.008 20 0 GBADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCn2ncnc2C1 ZINC000550108631 1073020246 /nfs/dbraw/zinc/02/02/46/1073020246.db2.gz KMIKJPMJXISYKF-UHFFFAOYSA-N 1 2 384.440 -0.231 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H](CO)O1 ZINC000550109071 1073020136 /nfs/dbraw/zinc/02/01/36/1073020136.db2.gz NPIYTWRFENMFBJ-CRAIPNDOSA-N 1 2 391.468 -0.257 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H](CO)O1 ZINC000550109078 1073020160 /nfs/dbraw/zinc/02/01/60/1073020160.db2.gz NPIYTWRFENMFBJ-MAUKXSAKSA-N 1 2 391.468 -0.257 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H](CO)O1 ZINC000550109079 1073019968 /nfs/dbraw/zinc/01/99/68/1073019968.db2.gz NPIYTWRFENMFBJ-QAPCUYQASA-N 1 2 391.468 -0.257 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H](CO)O1 ZINC000550109080 1073019697 /nfs/dbraw/zinc/01/96/97/1073019697.db2.gz NPIYTWRFENMFBJ-YJBOKZPZSA-N 1 2 391.468 -0.257 20 0 GBADLO CS(=O)(=O)Nc1cc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)ccc1F ZINC000550111432 530487340 /nfs/dbraw/zinc/48/73/40/530487340.db2.gz PHZCJUJTRAZGRD-GFCCVEGCSA-N 1 2 375.422 -0.380 20 0 GBADLO CS(=O)(=O)Nc1cc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)ccc1F ZINC000550111433 530487392 /nfs/dbraw/zinc/48/73/92/530487392.db2.gz PHZCJUJTRAZGRD-LBPRGKRZSA-N 1 2 375.422 -0.380 20 0 GBADLO CNS(=O)(=O)NCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000550139945 1073024665 /nfs/dbraw/zinc/02/46/65/1073024665.db2.gz ODGILQDUVVUVTN-UHFFFAOYSA-N 1 2 386.474 -0.932 20 0 GBADLO CN(C)C(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000550143853 1073023803 /nfs/dbraw/zinc/02/38/03/1073023803.db2.gz WNYXXVNLVCYJPB-UHFFFAOYSA-N 1 2 390.492 -0.393 20 0 GBADLO CNS(=O)(=O)NCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000550150871 1073024894 /nfs/dbraw/zinc/02/48/94/1073024894.db2.gz UPHMBBWTPDEUBP-UHFFFAOYSA-N 1 2 383.474 -0.741 20 0 GBADLO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 ZINC000550151084 530487931 /nfs/dbraw/zinc/48/79/31/530487931.db2.gz ZYXPBQWTSZVKNL-UHFFFAOYSA-N 1 2 394.906 -0.011 20 0 GBADLO CS(=O)(=O)NCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000550163295 1073026273 /nfs/dbraw/zinc/02/62/73/1073026273.db2.gz OTWZSMTZCHKDAC-AWEZNQCLSA-N 1 2 385.490 -0.317 20 0 GBADLO CS(=O)(=O)NCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000550163295 1073026266 /nfs/dbraw/zinc/02/62/66/1073026266.db2.gz OTWZSMTZCHKDAC-AWEZNQCLSA-N 1 2 385.490 -0.317 20 0 GBADLO CS(=O)(=O)NCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000550163296 1073026423 /nfs/dbraw/zinc/02/64/23/1073026423.db2.gz OTWZSMTZCHKDAC-CQSZACIVSA-N 1 2 385.490 -0.317 20 0 GBADLO CS(=O)(=O)NCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000550163296 1073026420 /nfs/dbraw/zinc/02/64/20/1073026420.db2.gz OTWZSMTZCHKDAC-CQSZACIVSA-N 1 2 385.490 -0.317 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCCC1 ZINC000550180557 1073028179 /nfs/dbraw/zinc/02/81/79/1073028179.db2.gz ORWFIUKYKILMLI-UHFFFAOYSA-N 1 2 395.485 -0.728 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1)[NH+]1CCOCC1 ZINC000550180753 1073027610 /nfs/dbraw/zinc/02/76/10/1073027610.db2.gz XBCRFGONOSGQTQ-KRWDZBQOSA-N 1 2 394.516 -0.070 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1)[NH+]1CCOCC1 ZINC000550180754 1073027952 /nfs/dbraw/zinc/02/79/52/1073027952.db2.gz XBCRFGONOSGQTQ-QGZVFWFLSA-N 1 2 394.516 -0.070 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)NCc2nnc3ccccn32)C[C@@H]1[NH+]1CCOCC1 ZINC000550192759 1073028546 /nfs/dbraw/zinc/02/85/46/1073028546.db2.gz NSJIRJXWJQFGFV-CABCVRRESA-N 1 2 386.456 -0.085 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)NCc2nnc3ccccn32)C[C@@H]1[NH+]1CCOCC1 ZINC000550192760 1073028802 /nfs/dbraw/zinc/02/88/02/1073028802.db2.gz NSJIRJXWJQFGFV-GJZGRUSLSA-N 1 2 386.456 -0.085 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)NCc2nnc3ccccn32)C[C@H]1[NH+]1CCOCC1 ZINC000550192761 1073028921 /nfs/dbraw/zinc/02/89/21/1073028921.db2.gz NSJIRJXWJQFGFV-HUUCEWRRSA-N 1 2 386.456 -0.085 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)NCc2nnc3ccccn32)C[C@H]1[NH+]1CCOCC1 ZINC000550192762 1073028780 /nfs/dbraw/zinc/02/87/80/1073028780.db2.gz NSJIRJXWJQFGFV-LSDHHAIUSA-N 1 2 386.456 -0.085 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)NCc3nnc4ccccn43)CC2)cc[nH+]1 ZINC000550196144 1073030189 /nfs/dbraw/zinc/03/01/89/1073030189.db2.gz MHPPKRPYZQCWDY-UHFFFAOYSA-N 1 2 380.412 -0.207 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCc1nnc2n1CCC2 ZINC000550209404 1073031716 /nfs/dbraw/zinc/03/17/16/1073031716.db2.gz HHWNODHCSTVCTO-UHFFFAOYSA-N 1 2 397.483 -0.221 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000550224180 1073033345 /nfs/dbraw/zinc/03/33/45/1073033345.db2.gz WCJQWBCKXJJCRP-CYBMUJFWSA-N 1 2 391.432 -0.044 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000550224180 1073033340 /nfs/dbraw/zinc/03/33/40/1073033340.db2.gz WCJQWBCKXJJCRP-CYBMUJFWSA-N 1 2 391.432 -0.044 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000550224186 1073033734 /nfs/dbraw/zinc/03/37/34/1073033734.db2.gz WCJQWBCKXJJCRP-ZDUSSCGKSA-N 1 2 391.432 -0.044 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000550224186 1073033722 /nfs/dbraw/zinc/03/37/22/1073033722.db2.gz WCJQWBCKXJJCRP-ZDUSSCGKSA-N 1 2 391.432 -0.044 20 0 GBADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1)C(=O)N1CCCCC1 ZINC000550227538 1073033252 /nfs/dbraw/zinc/03/32/52/1073033252.db2.gz IQLFBAXJBWAEJT-GDBMZVCRSA-N 1 2 378.477 -0.076 20 0 GBADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1)C(=O)N1CCCCC1 ZINC000550227538 1073033244 /nfs/dbraw/zinc/03/32/44/1073033244.db2.gz IQLFBAXJBWAEJT-GDBMZVCRSA-N 1 2 378.477 -0.076 20 0 GBADLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1)C(=O)N1CCCCC1 ZINC000550227575 1073033143 /nfs/dbraw/zinc/03/31/43/1073033143.db2.gz IQLFBAXJBWAEJT-GOEBONIOSA-N 1 2 378.477 -0.076 20 0 GBADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1)C(=O)N1CCCCC1 ZINC000550227575 1073033131 /nfs/dbraw/zinc/03/31/31/1073033131.db2.gz IQLFBAXJBWAEJT-GOEBONIOSA-N 1 2 378.477 -0.076 20 0 GBADLO C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1)C(=O)N1CCCCC1 ZINC000550227577 1073033873 /nfs/dbraw/zinc/03/38/73/1073033873.db2.gz IQLFBAXJBWAEJT-HOCLYGCPSA-N 1 2 378.477 -0.076 20 0 GBADLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)C(=O)N1CCCCC1 ZINC000550227577 1073033861 /nfs/dbraw/zinc/03/38/61/1073033861.db2.gz IQLFBAXJBWAEJT-HOCLYGCPSA-N 1 2 378.477 -0.076 20 0 GBADLO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1)C(=O)N1CCCCC1 ZINC000550227579 1073033768 /nfs/dbraw/zinc/03/37/68/1073033768.db2.gz IQLFBAXJBWAEJT-ZBFHGGJFSA-N 1 2 378.477 -0.076 20 0 GBADLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)C(=O)N1CCCCC1 ZINC000550227579 1073033758 /nfs/dbraw/zinc/03/37/58/1073033758.db2.gz IQLFBAXJBWAEJT-ZBFHGGJFSA-N 1 2 378.477 -0.076 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)NCCN1CCOCC1(C)C)[NH+]1CCOCC1 ZINC000550275866 1073036782 /nfs/dbraw/zinc/03/67/82/1073036782.db2.gz BHBMGJURBOXGPJ-INIZCTEOSA-N 1 2 384.521 -0.314 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)NCCN1CCOCC1(C)C)[NH+]1CCOCC1 ZINC000550275867 1073036701 /nfs/dbraw/zinc/03/67/01/1073036701.db2.gz BHBMGJURBOXGPJ-MRXNPFEDSA-N 1 2 384.521 -0.314 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)[NH+]1CCOCC1 ZINC000550276549 1073037167 /nfs/dbraw/zinc/03/71/67/1073037167.db2.gz MDJVQVXDDODBEH-CVEARBPZSA-N 1 2 395.504 -0.478 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)[NH+]1CCOCC1 ZINC000550276550 1073036854 /nfs/dbraw/zinc/03/68/54/1073036854.db2.gz MDJVQVXDDODBEH-HOTGVXAUSA-N 1 2 395.504 -0.478 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)[NH+]1CCOCC1 ZINC000550276552 1073036985 /nfs/dbraw/zinc/03/69/85/1073036985.db2.gz MDJVQVXDDODBEH-HZPDHXFCSA-N 1 2 395.504 -0.478 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)[NH+]1CCOCC1 ZINC000550276554 1073037191 /nfs/dbraw/zinc/03/71/91/1073037191.db2.gz MDJVQVXDDODBEH-JKSUJKDBSA-N 1 2 395.504 -0.478 20 0 GBADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000550276806 1073037115 /nfs/dbraw/zinc/03/71/15/1073037115.db2.gz PNTRRKPGIRRDQD-AWEZNQCLSA-N 1 2 376.461 -0.799 20 0 GBADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000550276807 1073037135 /nfs/dbraw/zinc/03/71/35/1073037135.db2.gz PNTRRKPGIRRDQD-CQSZACIVSA-N 1 2 376.461 -0.799 20 0 GBADLO C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1nnc2n1CCC2 ZINC000550277362 1073037799 /nfs/dbraw/zinc/03/77/99/1073037799.db2.gz LYFXYXQRJKUCIY-CYBMUJFWSA-N 1 2 378.477 -0.029 20 0 GBADLO C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1nnc2n1CCC2 ZINC000550277362 1073037795 /nfs/dbraw/zinc/03/77/95/1073037795.db2.gz LYFXYXQRJKUCIY-CYBMUJFWSA-N 1 2 378.477 -0.029 20 0 GBADLO C[C@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1nnc2n1CCC2 ZINC000550277363 1073037523 /nfs/dbraw/zinc/03/75/23/1073037523.db2.gz LYFXYXQRJKUCIY-ZDUSSCGKSA-N 1 2 378.477 -0.029 20 0 GBADLO C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1nnc2n1CCC2 ZINC000550277363 1073037519 /nfs/dbraw/zinc/03/75/19/1073037519.db2.gz LYFXYXQRJKUCIY-ZDUSSCGKSA-N 1 2 378.477 -0.029 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2)[NH+]1CCOCC1 ZINC000550278024 1073037091 /nfs/dbraw/zinc/03/70/91/1073037091.db2.gz RFBVDHMEEJUFQQ-KBPBESRZSA-N 1 2 378.477 -0.126 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)c1nnc2n1CCC2)[NH+]1CCOCC1 ZINC000550278025 1073036839 /nfs/dbraw/zinc/03/68/39/1073036839.db2.gz RFBVDHMEEJUFQQ-KGLIPLIRSA-N 1 2 378.477 -0.126 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2)[NH+]1CCOCC1 ZINC000550278026 1073036945 /nfs/dbraw/zinc/03/69/45/1073036945.db2.gz RFBVDHMEEJUFQQ-UONOGXRCSA-N 1 2 378.477 -0.126 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1nnc2n1CCC2)[NH+]1CCOCC1 ZINC000550278027 1073037013 /nfs/dbraw/zinc/03/70/13/1073037013.db2.gz RFBVDHMEEJUFQQ-ZIAGYGMSSA-N 1 2 378.477 -0.126 20 0 GBADLO CC(=O)N1CCC(CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000550278632 1073041133 /nfs/dbraw/zinc/04/11/33/1073041133.db2.gz ZUKJUHGVLSOSDQ-KRWDZBQOSA-N 1 2 382.505 -0.166 20 0 GBADLO CC(=O)N1CCC(CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000550278633 1073041343 /nfs/dbraw/zinc/04/13/43/1073041343.db2.gz ZUKJUHGVLSOSDQ-QGZVFWFLSA-N 1 2 382.505 -0.166 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000550279207 1073038802 /nfs/dbraw/zinc/03/88/02/1073038802.db2.gz DJDYGQCXEFKJOV-BBWFWOEESA-N 1 2 394.516 -0.023 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000550279208 1073038447 /nfs/dbraw/zinc/03/84/47/1073038447.db2.gz DJDYGQCXEFKJOV-IKGGRYGDSA-N 1 2 394.516 -0.023 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000550279209 1073038497 /nfs/dbraw/zinc/03/84/97/1073038497.db2.gz DJDYGQCXEFKJOV-ULQDDVLXSA-N 1 2 394.516 -0.023 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1)[NH+]1CCOCC1 ZINC000550279210 1073038779 /nfs/dbraw/zinc/03/87/79/1073038779.db2.gz DJDYGQCXEFKJOV-ZACQAIPSSA-N 1 2 394.516 -0.023 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)NCCCN1CCCC1=O)[NH+]1CCOCC1 ZINC000550280232 1073045371 /nfs/dbraw/zinc/04/53/71/1073045371.db2.gz ZFHXGYOISYDTBH-INIZCTEOSA-N 1 2 382.505 -0.022 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)NCCCN1CCCC1=O)[NH+]1CCOCC1 ZINC000550280233 1073045436 /nfs/dbraw/zinc/04/54/36/1073045436.db2.gz ZFHXGYOISYDTBH-MRXNPFEDSA-N 1 2 382.505 -0.022 20 0 GBADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000550280511 1073048895 /nfs/dbraw/zinc/04/88/95/1073048895.db2.gz FZJORXKNUBXTQP-UHFFFAOYSA-N 1 2 390.444 -0.240 20 0 GBADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000550280905 1073046853 /nfs/dbraw/zinc/04/68/53/1073046853.db2.gz RYWTYRSLLIFRFU-UHFFFAOYSA-N 1 2 386.460 -0.882 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000550283809 1073054311 /nfs/dbraw/zinc/05/43/11/1073054311.db2.gz RQPMSSZEUREXED-INIZCTEOSA-N 1 2 388.468 -0.022 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000550283811 1073054745 /nfs/dbraw/zinc/05/47/45/1073054745.db2.gz RQPMSSZEUREXED-MRXNPFEDSA-N 1 2 388.468 -0.022 20 0 GBADLO Cn1cnn(CCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1=O ZINC000550306416 1073079581 /nfs/dbraw/zinc/07/95/81/1073079581.db2.gz ZNNABVSGCWEXBM-UHFFFAOYSA-N 1 2 387.444 -0.778 20 0 GBADLO COc1ccccc1OCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000550335833 1073122010 /nfs/dbraw/zinc/12/20/10/1073122010.db2.gz YTDZZVFORNPHPC-HNNXBMFYSA-N 1 2 395.456 -0.658 20 0 GBADLO COc1ccccc1OCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000550335838 1073122230 /nfs/dbraw/zinc/12/22/30/1073122230.db2.gz YTDZZVFORNPHPC-OAHLLOKOSA-N 1 2 395.456 -0.658 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)[NH+]1CCOCC1 ZINC000550356589 1073125285 /nfs/dbraw/zinc/12/52/85/1073125285.db2.gz QAOSTUYGCQYYLE-CVEARBPZSA-N 1 2 397.520 -0.244 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)[NH+]1CCOCC1 ZINC000550356590 1073125302 /nfs/dbraw/zinc/12/53/02/1073125302.db2.gz QAOSTUYGCQYYLE-HOTGVXAUSA-N 1 2 397.520 -0.244 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)[NH+]1CCOCC1 ZINC000550356591 1073125125 /nfs/dbraw/zinc/12/51/25/1073125125.db2.gz QAOSTUYGCQYYLE-HZPDHXFCSA-N 1 2 397.520 -0.244 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)[NH+]1CCOCC1 ZINC000550356592 1073125185 /nfs/dbraw/zinc/12/51/85/1073125185.db2.gz QAOSTUYGCQYYLE-JKSUJKDBSA-N 1 2 397.520 -0.244 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O)[NH+]1CCOCC1 ZINC000550356641 1073125196 /nfs/dbraw/zinc/12/51/96/1073125196.db2.gz RMXRVCZYAOAANN-CVEARBPZSA-N 1 2 382.505 -0.025 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O)[NH+]1CCOCC1 ZINC000550356642 1073125168 /nfs/dbraw/zinc/12/51/68/1073125168.db2.gz RMXRVCZYAOAANN-HOTGVXAUSA-N 1 2 382.505 -0.025 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O)[NH+]1CCOCC1 ZINC000550356643 1073125401 /nfs/dbraw/zinc/12/54/01/1073125401.db2.gz RMXRVCZYAOAANN-HZPDHXFCSA-N 1 2 382.505 -0.025 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O)[NH+]1CCOCC1 ZINC000550356644 1073125333 /nfs/dbraw/zinc/12/53/33/1073125333.db2.gz RMXRVCZYAOAANN-JKSUJKDBSA-N 1 2 382.505 -0.025 20 0 GBADLO CCN1CCCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1=O ZINC000550356832 1073125118 /nfs/dbraw/zinc/12/51/18/1073125118.db2.gz UCSFZTVDIICJKG-INIZCTEOSA-N 1 2 382.505 -0.070 20 0 GBADLO CCN1CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1=O ZINC000550356833 1073125308 /nfs/dbraw/zinc/12/53/08/1073125308.db2.gz UCSFZTVDIICJKG-MRXNPFEDSA-N 1 2 382.505 -0.070 20 0 GBADLO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)CC1 ZINC000550358576 1073125014 /nfs/dbraw/zinc/12/50/14/1073125014.db2.gz CNLCSPHXMHRTNC-MSOLQXFVSA-N 1 2 398.548 -0.235 20 0 GBADLO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)CC1 ZINC000550358577 1073125162 /nfs/dbraw/zinc/12/51/62/1073125162.db2.gz CNLCSPHXMHRTNC-QZTJIDSGSA-N 1 2 398.548 -0.235 20 0 GBADLO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)CC1 ZINC000550358578 1073125370 /nfs/dbraw/zinc/12/53/70/1073125370.db2.gz CNLCSPHXMHRTNC-ROUUACIJSA-N 1 2 398.548 -0.235 20 0 GBADLO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)CC1 ZINC000550358579 1073125389 /nfs/dbraw/zinc/12/53/89/1073125389.db2.gz CNLCSPHXMHRTNC-ZWKOTPCHSA-N 1 2 398.548 -0.235 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)[C@@H](C)C1 ZINC000550358930 1073125135 /nfs/dbraw/zinc/12/51/35/1073125135.db2.gz ASGNUUGMCXQVPY-HNNXBMFYSA-N 1 2 398.504 -0.691 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)[C@@H](C)C1 ZINC000550358930 1073125132 /nfs/dbraw/zinc/12/51/32/1073125132.db2.gz ASGNUUGMCXQVPY-HNNXBMFYSA-N 1 2 398.504 -0.691 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)[C@H](C)C1 ZINC000550358931 1073125321 /nfs/dbraw/zinc/12/53/21/1073125321.db2.gz ASGNUUGMCXQVPY-OAHLLOKOSA-N 1 2 398.504 -0.691 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)[C@H](C)C1 ZINC000550358931 1073125316 /nfs/dbraw/zinc/12/53/16/1073125316.db2.gz ASGNUUGMCXQVPY-OAHLLOKOSA-N 1 2 398.504 -0.691 20 0 GBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CCO1 ZINC000550360006 1073125415 /nfs/dbraw/zinc/12/54/15/1073125415.db2.gz QGDWHAYEAYARIR-DLBZAZTESA-N 1 2 398.504 -0.787 20 0 GBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CCO1 ZINC000550360007 1073125155 /nfs/dbraw/zinc/12/51/55/1073125155.db2.gz QGDWHAYEAYARIR-IAGOWNOFSA-N 1 2 398.504 -0.787 20 0 GBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CCO1 ZINC000550360008 1073125293 /nfs/dbraw/zinc/12/52/93/1073125293.db2.gz QGDWHAYEAYARIR-IRXDYDNUSA-N 1 2 398.504 -0.787 20 0 GBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CCO1 ZINC000550360009 1073125201 /nfs/dbraw/zinc/12/52/01/1073125201.db2.gz QGDWHAYEAYARIR-SJORKVTESA-N 1 2 398.504 -0.787 20 0 GBADLO COCC(=O)N1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550362236 1073126123 /nfs/dbraw/zinc/12/61/23/1073126123.db2.gz KJJHQIWXKDQUSW-INIZCTEOSA-N 1 2 398.504 -0.833 20 0 GBADLO COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550362237 1073126282 /nfs/dbraw/zinc/12/62/82/1073126282.db2.gz KJJHQIWXKDQUSW-MRXNPFEDSA-N 1 2 398.504 -0.833 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1)[NH+]1CCOCC1 ZINC000550362304 1073126265 /nfs/dbraw/zinc/12/62/65/1073126265.db2.gz MESAOJVNPUHXPX-DLBZAZTESA-N 1 2 382.505 -0.608 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1)[NH+]1CCOCC1 ZINC000550362310 1073126069 /nfs/dbraw/zinc/12/60/69/1073126069.db2.gz MESAOJVNPUHXPX-IAGOWNOFSA-N 1 2 382.505 -0.608 20 0 GBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)[NH+]1CCOCC1 ZINC000550362312 1073126137 /nfs/dbraw/zinc/12/61/37/1073126137.db2.gz MESAOJVNPUHXPX-IRXDYDNUSA-N 1 2 382.505 -0.608 20 0 GBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)[NH+]1CCOCC1 ZINC000550362314 1073126306 /nfs/dbraw/zinc/12/63/06/1073126306.db2.gz MESAOJVNPUHXPX-SJORKVTESA-N 1 2 382.505 -0.608 20 0 GBADLO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550379217 1073127296 /nfs/dbraw/zinc/12/72/96/1073127296.db2.gz YKNFPRHPWBSEKO-GDBMZVCRSA-N 1 2 397.497 -0.447 20 0 GBADLO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550379217 1073127290 /nfs/dbraw/zinc/12/72/90/1073127290.db2.gz YKNFPRHPWBSEKO-GDBMZVCRSA-N 1 2 397.497 -0.447 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550379220 1073127006 /nfs/dbraw/zinc/12/70/06/1073127006.db2.gz YKNFPRHPWBSEKO-GOEBONIOSA-N 1 2 397.497 -0.447 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550379220 1073127003 /nfs/dbraw/zinc/12/70/03/1073127003.db2.gz YKNFPRHPWBSEKO-GOEBONIOSA-N 1 2 397.497 -0.447 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550379221 1073126815 /nfs/dbraw/zinc/12/68/15/1073126815.db2.gz YKNFPRHPWBSEKO-HOCLYGCPSA-N 1 2 397.497 -0.447 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550379221 1073126812 /nfs/dbraw/zinc/12/68/12/1073126812.db2.gz YKNFPRHPWBSEKO-HOCLYGCPSA-N 1 2 397.497 -0.447 20 0 GBADLO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550379222 1073126738 /nfs/dbraw/zinc/12/67/38/1073126738.db2.gz YKNFPRHPWBSEKO-ZBFHGGJFSA-N 1 2 397.497 -0.447 20 0 GBADLO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000550379222 1073126736 /nfs/dbraw/zinc/12/67/36/1073126736.db2.gz YKNFPRHPWBSEKO-ZBFHGGJFSA-N 1 2 397.497 -0.447 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)[NH+]1CCN(C)CC1 ZINC000550383233 1073129016 /nfs/dbraw/zinc/12/90/16/1073129016.db2.gz DZUVPELBNLBURE-DOTOQJQBSA-N 1 2 376.505 -0.229 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)[NH+]1CCN(C)CC1 ZINC000550383234 1073129158 /nfs/dbraw/zinc/12/91/58/1073129158.db2.gz DZUVPELBNLBURE-NVXWUHKLSA-N 1 2 376.505 -0.229 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)[NH+]1CCN(C)CC1 ZINC000550383235 1073129000 /nfs/dbraw/zinc/12/90/00/1073129000.db2.gz DZUVPELBNLBURE-RDJZCZTQSA-N 1 2 376.505 -0.229 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)[NH+]1CCN(C)CC1 ZINC000550383236 1073129323 /nfs/dbraw/zinc/12/93/23/1073129323.db2.gz DZUVPELBNLBURE-WBVHZDCISA-N 1 2 376.505 -0.229 20 0 GBADLO C[C@H](O)CN(C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](C)CO ZINC000550386542 1073130398 /nfs/dbraw/zinc/13/03/98/1073130398.db2.gz KAUDXJSXXHZHSZ-BQFCYCMXSA-N 1 2 393.484 -0.406 20 0 GBADLO C[C@H](O)CN(C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](C)CO ZINC000550386542 1073130390 /nfs/dbraw/zinc/13/03/90/1073130390.db2.gz KAUDXJSXXHZHSZ-BQFCYCMXSA-N 1 2 393.484 -0.406 20 0 GBADLO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000550386543 1073130481 /nfs/dbraw/zinc/13/04/81/1073130481.db2.gz KAUDXJSXXHZHSZ-RYRKJORJSA-N 1 2 393.484 -0.406 20 0 GBADLO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000550386543 1073130480 /nfs/dbraw/zinc/13/04/80/1073130480.db2.gz KAUDXJSXXHZHSZ-RYRKJORJSA-N 1 2 393.484 -0.406 20 0 GBADLO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000550386544 1073130231 /nfs/dbraw/zinc/13/02/31/1073130231.db2.gz KAUDXJSXXHZHSZ-SOLBZPMBSA-N 1 2 393.484 -0.406 20 0 GBADLO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000550386544 1073130228 /nfs/dbraw/zinc/13/02/28/1073130228.db2.gz KAUDXJSXXHZHSZ-SOLBZPMBSA-N 1 2 393.484 -0.406 20 0 GBADLO C[C@H](O)CN(C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](C)CO ZINC000550386545 1073130422 /nfs/dbraw/zinc/13/04/22/1073130422.db2.gz KAUDXJSXXHZHSZ-XYJFISCASA-N 1 2 393.484 -0.406 20 0 GBADLO C[C@H](O)CN(C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](C)CO ZINC000550386545 1073130419 /nfs/dbraw/zinc/13/04/19/1073130419.db2.gz KAUDXJSXXHZHSZ-XYJFISCASA-N 1 2 393.484 -0.406 20 0 GBADLO CN1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000550388800 1073130292 /nfs/dbraw/zinc/13/02/92/1073130292.db2.gz YUGTWACMBSCEIM-DLBZAZTESA-N 1 2 388.468 -0.259 20 0 GBADLO CN1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000550388800 1073130287 /nfs/dbraw/zinc/13/02/87/1073130287.db2.gz YUGTWACMBSCEIM-DLBZAZTESA-N 1 2 388.468 -0.259 20 0 GBADLO CN1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000550388801 1073130306 /nfs/dbraw/zinc/13/03/06/1073130306.db2.gz YUGTWACMBSCEIM-IAGOWNOFSA-N 1 2 388.468 -0.259 20 0 GBADLO CN1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000550388801 1073130302 /nfs/dbraw/zinc/13/03/02/1073130302.db2.gz YUGTWACMBSCEIM-IAGOWNOFSA-N 1 2 388.468 -0.259 20 0 GBADLO CN1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000550388802 1073130492 /nfs/dbraw/zinc/13/04/92/1073130492.db2.gz YUGTWACMBSCEIM-IRXDYDNUSA-N 1 2 388.468 -0.259 20 0 GBADLO CN1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000550388802 1073130490 /nfs/dbraw/zinc/13/04/90/1073130490.db2.gz YUGTWACMBSCEIM-IRXDYDNUSA-N 1 2 388.468 -0.259 20 0 GBADLO CN1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000550388803 1073130009 /nfs/dbraw/zinc/13/00/09/1073130009.db2.gz YUGTWACMBSCEIM-SJORKVTESA-N 1 2 388.468 -0.259 20 0 GBADLO CN1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000550388803 1073130005 /nfs/dbraw/zinc/13/00/05/1073130005.db2.gz YUGTWACMBSCEIM-SJORKVTESA-N 1 2 388.468 -0.259 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCc2cc(F)cc(F)c2)CCO1 ZINC000550399612 1073131492 /nfs/dbraw/zinc/13/14/92/1073131492.db2.gz UXMQEJJLTPVPHY-AWEZNQCLSA-N 1 2 384.383 -0.775 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCc2cc(F)cc(F)c2)CCO1 ZINC000550399612 1073131484 /nfs/dbraw/zinc/13/14/84/1073131484.db2.gz UXMQEJJLTPVPHY-AWEZNQCLSA-N 1 2 384.383 -0.775 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCc2cc(F)cc(F)c2)CCO1 ZINC000550399613 1073131233 /nfs/dbraw/zinc/13/12/33/1073131233.db2.gz UXMQEJJLTPVPHY-CQSZACIVSA-N 1 2 384.383 -0.775 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCc2cc(F)cc(F)c2)CCO1 ZINC000550399613 1073131228 /nfs/dbraw/zinc/13/12/28/1073131228.db2.gz UXMQEJJLTPVPHY-CQSZACIVSA-N 1 2 384.383 -0.775 20 0 GBADLO CC(C)[C@@]1(CO)CCC[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000550433278 530487890 /nfs/dbraw/zinc/48/78/90/530487890.db2.gz HLQLFHJBTHPMFI-BBRMVZONSA-N 1 2 375.491 -0.270 20 0 GBADLO CC(C)[C@@]1(CO)CCC[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000550433278 530487889 /nfs/dbraw/zinc/48/78/89/530487889.db2.gz HLQLFHJBTHPMFI-BBRMVZONSA-N 1 2 375.491 -0.270 20 0 GBADLO CC(C)[C@@]1(CO)CCC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000550433279 530487640 /nfs/dbraw/zinc/48/76/40/530487640.db2.gz HLQLFHJBTHPMFI-CJNGLKHVSA-N 1 2 375.491 -0.270 20 0 GBADLO CC(C)[C@@]1(CO)CCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000550433279 530487639 /nfs/dbraw/zinc/48/76/39/530487639.db2.gz HLQLFHJBTHPMFI-CJNGLKHVSA-N 1 2 375.491 -0.270 20 0 GBADLO CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000550433280 530487894 /nfs/dbraw/zinc/48/78/94/530487894.db2.gz HLQLFHJBTHPMFI-CZUORRHYSA-N 1 2 375.491 -0.270 20 0 GBADLO CC(C)[C@]1(CO)CCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000550433280 530487893 /nfs/dbraw/zinc/48/78/93/530487893.db2.gz HLQLFHJBTHPMFI-CZUORRHYSA-N 1 2 375.491 -0.270 20 0 GBADLO CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000550433281 530487629 /nfs/dbraw/zinc/48/76/29/530487629.db2.gz HLQLFHJBTHPMFI-XJKSGUPXSA-N 1 2 375.491 -0.270 20 0 GBADLO CC(C)[C@]1(CO)CCC[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000550433281 530487628 /nfs/dbraw/zinc/48/76/28/530487628.db2.gz HLQLFHJBTHPMFI-XJKSGUPXSA-N 1 2 375.491 -0.270 20 0 GBADLO O=C(CCNC(=O)C(=O)NCCn1cc[nH+]c1)N1CCN(c2ccccn2)CC1 ZINC000550446245 1073209630 /nfs/dbraw/zinc/20/96/30/1073209630.db2.gz KNURDLJDINFSON-UHFFFAOYSA-N 1 2 399.455 -0.751 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)S(C)(=O)=O ZINC000550448225 1073216077 /nfs/dbraw/zinc/21/60/77/1073216077.db2.gz BMOWPAYQYWLGAS-AWEZNQCLSA-N 1 2 397.497 -0.316 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)S(C)(=O)=O ZINC000550448226 1073215829 /nfs/dbraw/zinc/21/58/29/1073215829.db2.gz BMOWPAYQYWLGAS-CQSZACIVSA-N 1 2 397.497 -0.316 20 0 GBADLO CCNC(=O)NC(=O)CN1CC[N@@H+](CC(=O)NC(=O)NCC)[C@@H]2CCCC[C@H]21 ZINC000550453165 1073232628 /nfs/dbraw/zinc/23/26/28/1073232628.db2.gz NCYGAHCWPPHVBX-ZIAGYGMSSA-N 1 2 396.492 -0.393 20 0 GBADLO CCNC(=O)NC(=O)CN1CC[N@H+](CC(=O)NC(=O)NCC)[C@@H]2CCCC[C@H]21 ZINC000550453165 1073232627 /nfs/dbraw/zinc/23/26/27/1073232627.db2.gz NCYGAHCWPPHVBX-ZIAGYGMSSA-N 1 2 396.492 -0.393 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000550475299 1073297607 /nfs/dbraw/zinc/29/76/07/1073297607.db2.gz SMQCJHPHQQRTMB-CYBMUJFWSA-N 1 2 382.461 -0.791 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000550475299 1073297603 /nfs/dbraw/zinc/29/76/03/1073297603.db2.gz SMQCJHPHQQRTMB-CYBMUJFWSA-N 1 2 382.461 -0.791 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000550475300 1073297578 /nfs/dbraw/zinc/29/75/78/1073297578.db2.gz SMQCJHPHQQRTMB-ZDUSSCGKSA-N 1 2 382.461 -0.791 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000550475300 1073297572 /nfs/dbraw/zinc/29/75/72/1073297572.db2.gz SMQCJHPHQQRTMB-ZDUSSCGKSA-N 1 2 382.461 -0.791 20 0 GBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000550547495 1073314294 /nfs/dbraw/zinc/31/42/94/1073314294.db2.gz CAPRCDHXTAKQDA-GOSISDBHSA-N 1 2 399.451 -0.089 20 0 GBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000550547501 1073314754 /nfs/dbraw/zinc/31/47/54/1073314754.db2.gz CAPRCDHXTAKQDA-SFHVURJKSA-N 1 2 399.451 -0.089 20 0 GBADLO COCC(=O)N1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000550548919 1073315152 /nfs/dbraw/zinc/31/51/52/1073315152.db2.gz VPYNAXHOKIQALL-UHFFFAOYSA-N 1 2 399.451 -0.135 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(OC)nc2)[C@H](C)C1 ZINC000550552698 1073315054 /nfs/dbraw/zinc/31/50/54/1073315054.db2.gz RLNMKHJLSYQWIO-CYBMUJFWSA-N 1 2 378.429 -0.198 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(OC)nc2)[C@H](C)C1 ZINC000550552698 1073315045 /nfs/dbraw/zinc/31/50/45/1073315045.db2.gz RLNMKHJLSYQWIO-CYBMUJFWSA-N 1 2 378.429 -0.198 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccc(OC)nc2)[C@@H](C)C1 ZINC000550552699 1073314946 /nfs/dbraw/zinc/31/49/46/1073314946.db2.gz RLNMKHJLSYQWIO-ZDUSSCGKSA-N 1 2 378.429 -0.198 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(OC)nc2)[C@@H](C)C1 ZINC000550552699 1073314938 /nfs/dbraw/zinc/31/49/38/1073314938.db2.gz RLNMKHJLSYQWIO-ZDUSSCGKSA-N 1 2 378.429 -0.198 20 0 GBADLO COCCN1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550582323 1073319035 /nfs/dbraw/zinc/31/90/35/1073319035.db2.gz HQASBXICFVEQRE-HOTGVXAUSA-N 1 2 384.521 -0.219 20 0 GBADLO COCCN1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550582324 1073319053 /nfs/dbraw/zinc/31/90/53/1073319053.db2.gz HQASBXICFVEQRE-HZPDHXFCSA-N 1 2 384.521 -0.219 20 0 GBADLO COCCN1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550582325 1073319710 /nfs/dbraw/zinc/31/97/10/1073319710.db2.gz HQASBXICFVEQRE-IYBDPMFKSA-N 1 2 384.521 -0.219 20 0 GBADLO COCCN1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550582325 1073319703 /nfs/dbraw/zinc/31/97/03/1073319703.db2.gz HQASBXICFVEQRE-IYBDPMFKSA-N 1 2 384.521 -0.219 20 0 GBADLO NS(=O)(=O)CC[NH+]1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000550708713 530487924 /nfs/dbraw/zinc/48/79/24/530487924.db2.gz SDRRWEGOHSHHOU-UHFFFAOYSA-N 1 2 396.922 -0.607 20 0 GBADLO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000551554155 530488407 /nfs/dbraw/zinc/48/84/07/530488407.db2.gz FBDXCWKVCFHRMA-HNNXBMFYSA-N 1 2 391.515 -0.137 20 0 GBADLO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000551554156 530488501 /nfs/dbraw/zinc/48/85/01/530488501.db2.gz FBDXCWKVCFHRMA-OAHLLOKOSA-N 1 2 391.515 -0.137 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)N2CCC2)CC1 ZINC000551969574 530488944 /nfs/dbraw/zinc/48/89/44/530488944.db2.gz VCMVESPFNRHXOJ-UHFFFAOYSA-N 1 2 388.515 -0.337 20 0 GBADLO CCN(C(C)=O)c1nc(CN2CC[NH+](CCS(N)(=O)=O)CC2)cs1 ZINC000552076851 530489210 /nfs/dbraw/zinc/48/92/10/530489210.db2.gz JMMNBKLHVDXSBM-UHFFFAOYSA-N 1 2 375.520 -0.078 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000552286590 530489265 /nfs/dbraw/zinc/48/92/65/530489265.db2.gz SLPUNUTVVJFIIC-JTQLQIEISA-N 1 2 390.428 -0.619 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000552286590 530489263 /nfs/dbraw/zinc/48/92/63/530489263.db2.gz SLPUNUTVVJFIIC-JTQLQIEISA-N 1 2 390.428 -0.619 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000552286592 530489136 /nfs/dbraw/zinc/48/91/36/530489136.db2.gz SLPUNUTVVJFIIC-SNVBAGLBSA-N 1 2 390.428 -0.619 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000552286592 530489134 /nfs/dbraw/zinc/48/91/34/530489134.db2.gz SLPUNUTVVJFIIC-SNVBAGLBSA-N 1 2 390.428 -0.619 20 0 GBADLO COc1ccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1F ZINC000552366745 530489454 /nfs/dbraw/zinc/48/94/54/530489454.db2.gz XMQZZZPGUMAMQL-UHFFFAOYSA-N 1 2 375.422 -0.439 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000552610680 530489819 /nfs/dbraw/zinc/48/98/19/530489819.db2.gz JPWWVTMATPDEFB-AWEZNQCLSA-N 1 2 376.523 -0.427 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000552610680 530489818 /nfs/dbraw/zinc/48/98/18/530489818.db2.gz JPWWVTMATPDEFB-AWEZNQCLSA-N 1 2 376.523 -0.427 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000552610681 530489856 /nfs/dbraw/zinc/48/98/56/530489856.db2.gz JPWWVTMATPDEFB-CQSZACIVSA-N 1 2 376.523 -0.427 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000552610681 530489855 /nfs/dbraw/zinc/48/98/55/530489855.db2.gz JPWWVTMATPDEFB-CQSZACIVSA-N 1 2 376.523 -0.427 20 0 GBADLO COCCC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000552802184 530490204 /nfs/dbraw/zinc/49/02/04/530490204.db2.gz AQGHECLVTMAQKS-HNNXBMFYSA-N 1 2 375.491 -0.797 20 0 GBADLO COCCC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000552802184 530490203 /nfs/dbraw/zinc/49/02/03/530490203.db2.gz AQGHECLVTMAQKS-HNNXBMFYSA-N 1 2 375.491 -0.797 20 0 GBADLO COCCC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000552802185 530490177 /nfs/dbraw/zinc/49/01/77/530490177.db2.gz AQGHECLVTMAQKS-OAHLLOKOSA-N 1 2 375.491 -0.797 20 0 GBADLO COCCC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000552802185 530490176 /nfs/dbraw/zinc/49/01/76/530490176.db2.gz AQGHECLVTMAQKS-OAHLLOKOSA-N 1 2 375.491 -0.797 20 0 GBADLO CCN(C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC)[C@@H](C)CS(C)(=O)=O ZINC000552939255 530490169 /nfs/dbraw/zinc/49/01/69/530490169.db2.gz DTLUHMYBLOUZBH-KBPBESRZSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[C@@H](C)CS(C)(=O)=O ZINC000552939255 530490168 /nfs/dbraw/zinc/49/01/68/530490168.db2.gz DTLUHMYBLOUZBH-KBPBESRZSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC)[C@H](C)CS(C)(=O)=O ZINC000552939256 530490080 /nfs/dbraw/zinc/49/00/80/530490080.db2.gz DTLUHMYBLOUZBH-KGLIPLIRSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[C@H](C)CS(C)(=O)=O ZINC000552939256 530490077 /nfs/dbraw/zinc/49/00/77/530490077.db2.gz DTLUHMYBLOUZBH-KGLIPLIRSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC)[C@@H](C)CS(C)(=O)=O ZINC000552939257 530490184 /nfs/dbraw/zinc/49/01/84/530490184.db2.gz DTLUHMYBLOUZBH-UONOGXRCSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[C@@H](C)CS(C)(=O)=O ZINC000552939257 530490183 /nfs/dbraw/zinc/49/01/83/530490183.db2.gz DTLUHMYBLOUZBH-UONOGXRCSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC)[C@H](C)CS(C)(=O)=O ZINC000552939258 530490180 /nfs/dbraw/zinc/49/01/80/530490180.db2.gz DTLUHMYBLOUZBH-ZIAGYGMSSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[C@H](C)CS(C)(=O)=O ZINC000552939258 530490179 /nfs/dbraw/zinc/49/01/79/530490179.db2.gz DTLUHMYBLOUZBH-ZIAGYGMSSA-N 1 2 377.507 -0.505 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(N(C)Cc2[nH+]ccn2C)c(S(N)(=O)=O)c1 ZINC000553252101 530490673 /nfs/dbraw/zinc/49/06/73/530490673.db2.gz YBNIAKDFGLQILU-UHFFFAOYSA-N 1 2 387.487 -0.046 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3ncccc3Cl)CC2)CC1 ZINC000553303211 530491014 /nfs/dbraw/zinc/49/10/14/530491014.db2.gz CAUOSKMEXQVFBF-UHFFFAOYSA-N 1 2 387.893 -0.015 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CCCCF)CC2)CC1 ZINC000553438906 530491417 /nfs/dbraw/zinc/49/14/17/530491417.db2.gz CLPZWJWZPAGIAQ-UHFFFAOYSA-N 1 2 386.515 -0.824 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000553472503 530491233 /nfs/dbraw/zinc/49/12/33/530491233.db2.gz VJISHXZSHHCLOZ-UONOGXRCSA-N 1 2 377.511 -0.723 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000553472504 530491237 /nfs/dbraw/zinc/49/12/37/530491237.db2.gz VJISHXZSHHCLOZ-ZIAGYGMSSA-N 1 2 377.511 -0.723 20 0 GBADLO CC(C)Nc1nc(NCCO)nc(NCc2ccc(S(C)(=O)=O)s2)[nH+]1 ZINC000553582707 530491821 /nfs/dbraw/zinc/49/18/21/530491821.db2.gz IAPXTNVUUYXEMP-UHFFFAOYSA-N 1 2 386.503 -0.561 20 0 GBADLO CC(C)Nc1nc(NCCO)[nH+]c(NCc2ccc(S(C)(=O)=O)s2)n1 ZINC000553582707 530491820 /nfs/dbraw/zinc/49/18/20/530491820.db2.gz IAPXTNVUUYXEMP-UHFFFAOYSA-N 1 2 386.503 -0.561 20 0 GBADLO CC(C)Nc1nc(NCc2ccc(S(C)(=O)=O)s2)nc(NCCO)[nH+]1 ZINC000553582707 530491816 /nfs/dbraw/zinc/49/18/16/530491816.db2.gz IAPXTNVUUYXEMP-UHFFFAOYSA-N 1 2 386.503 -0.561 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553807969 530492292 /nfs/dbraw/zinc/49/22/92/530492292.db2.gz SGTYUISHHBWYSY-GHMZBOCLSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553807970 530492047 /nfs/dbraw/zinc/49/20/47/530492047.db2.gz SGTYUISHHBWYSY-MNOVXSKESA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553807972 530492025 /nfs/dbraw/zinc/49/20/25/530492025.db2.gz SGTYUISHHBWYSY-QWRGUYRKSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553807973 530492073 /nfs/dbraw/zinc/49/20/73/530492073.db2.gz SGTYUISHHBWYSY-WDEREUQCSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000553997009 530492632 /nfs/dbraw/zinc/49/26/32/530492632.db2.gz RRIUEPUQBKUFPE-UONOGXRCSA-N 1 2 377.511 -0.723 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000553997009 530492629 /nfs/dbraw/zinc/49/26/29/530492629.db2.gz RRIUEPUQBKUFPE-UONOGXRCSA-N 1 2 377.511 -0.723 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000553997013 530492510 /nfs/dbraw/zinc/49/25/10/530492510.db2.gz RRIUEPUQBKUFPE-ZIAGYGMSSA-N 1 2 377.511 -0.723 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000553997013 530492508 /nfs/dbraw/zinc/49/25/08/530492508.db2.gz RRIUEPUQBKUFPE-ZIAGYGMSSA-N 1 2 377.511 -0.723 20 0 GBADLO CC(C)Nc1nc(NCCCn2cc(Br)cn2)nc(NCCO)[nH+]1 ZINC000554686666 530493791 /nfs/dbraw/zinc/49/37/91/530493791.db2.gz UKQZQMYBUDDEIV-UHFFFAOYSA-N 1 2 399.297 -0.177 20 0 GBADLO CC(C)Nc1nc(NCCO)nc(NCCCn2cc(Br)cn2)[nH+]1 ZINC000554686666 530493790 /nfs/dbraw/zinc/49/37/90/530493790.db2.gz UKQZQMYBUDDEIV-UHFFFAOYSA-N 1 2 399.297 -0.177 20 0 GBADLO CC(C)Nc1nc(NCCO)[nH+]c(NCCCn2cc(Br)cn2)n1 ZINC000554686666 530493787 /nfs/dbraw/zinc/49/37/87/530493787.db2.gz UKQZQMYBUDDEIV-UHFFFAOYSA-N 1 2 399.297 -0.177 20 0 GBADLO COCC[N@@H+](C)CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000554881340 530493471 /nfs/dbraw/zinc/49/34/71/530493471.db2.gz HKEMGGGIXINLIS-UHFFFAOYSA-N 1 2 380.488 -0.045 20 0 GBADLO COCC[N@H+](C)CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000554881340 530493469 /nfs/dbraw/zinc/49/34/69/530493469.db2.gz HKEMGGGIXINLIS-UHFFFAOYSA-N 1 2 380.488 -0.045 20 0 GBADLO COC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1)C(C)C ZINC000554958871 530494180 /nfs/dbraw/zinc/49/41/80/530494180.db2.gz YCIZWPXECDOZMO-HIFRSBDPSA-N 1 2 377.507 -0.096 20 0 GBADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1)C(C)C ZINC000554958871 530494178 /nfs/dbraw/zinc/49/41/78/530494178.db2.gz YCIZWPXECDOZMO-HIFRSBDPSA-N 1 2 377.507 -0.096 20 0 GBADLO COC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1)C(C)C ZINC000554958872 530494091 /nfs/dbraw/zinc/49/40/91/530494091.db2.gz YCIZWPXECDOZMO-ZFWWWQNUSA-N 1 2 377.507 -0.096 20 0 GBADLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1)C(C)C ZINC000554958872 530494088 /nfs/dbraw/zinc/49/40/88/530494088.db2.gz YCIZWPXECDOZMO-ZFWWWQNUSA-N 1 2 377.507 -0.096 20 0 GBADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C[C@@H](C)O1 ZINC000555065619 530494141 /nfs/dbraw/zinc/49/41/41/530494141.db2.gz CKNORODFTWRWBY-BZUAXINKSA-N 1 2 375.535 -0.044 20 0 GBADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C[C@@H](C)O1 ZINC000555065619 530494139 /nfs/dbraw/zinc/49/41/39/530494139.db2.gz CKNORODFTWRWBY-BZUAXINKSA-N 1 2 375.535 -0.044 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C[C@@H](C)O1 ZINC000555065620 530494058 /nfs/dbraw/zinc/49/40/58/530494058.db2.gz CKNORODFTWRWBY-OAGGEKHMSA-N 1 2 375.535 -0.044 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C[C@@H](C)O1 ZINC000555065620 530494055 /nfs/dbraw/zinc/49/40/55/530494055.db2.gz CKNORODFTWRWBY-OAGGEKHMSA-N 1 2 375.535 -0.044 20 0 GBADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000555065621 530494214 /nfs/dbraw/zinc/49/42/14/530494214.db2.gz CKNORODFTWRWBY-OWCLPIDISA-N 1 2 375.535 -0.044 20 0 GBADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000555065621 530494213 /nfs/dbraw/zinc/49/42/13/530494213.db2.gz CKNORODFTWRWBY-OWCLPIDISA-N 1 2 375.535 -0.044 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000555065622 530493843 /nfs/dbraw/zinc/49/38/43/530493843.db2.gz CKNORODFTWRWBY-XHSDSOJGSA-N 1 2 375.535 -0.044 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000555065622 530493842 /nfs/dbraw/zinc/49/38/42/530493842.db2.gz CKNORODFTWRWBY-XHSDSOJGSA-N 1 2 375.535 -0.044 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000555099644 530494156 /nfs/dbraw/zinc/49/41/56/530494156.db2.gz UQXOJZSJWKTDIP-LLVKDONJSA-N 1 2 385.412 -0.110 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000555099647 530493865 /nfs/dbraw/zinc/49/38/65/530493865.db2.gz UQXOJZSJWKTDIP-NSHDSACASA-N 1 2 385.412 -0.110 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)CC1 ZINC000555285515 530494406 /nfs/dbraw/zinc/49/44/06/530494406.db2.gz OIMRYDXZSNXKEK-UHFFFAOYSA-N 1 2 383.396 -0.072 20 0 GBADLO O=C(CNC(=O)c1ccc(Br)o1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000555536029 530494292 /nfs/dbraw/zinc/49/42/92/530494292.db2.gz ZJEIJFGBLJSTDZ-JTQLQIEISA-N 1 2 390.234 -0.419 20 0 GBADLO O=C(CNC(=O)c1ccc(Br)o1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000555536030 530494333 /nfs/dbraw/zinc/49/43/33/530494333.db2.gz ZJEIJFGBLJSTDZ-SNVBAGLBSA-N 1 2 390.234 -0.419 20 0 GBADLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1cnn2cc(Br)cnc12 ZINC000555544925 530494327 /nfs/dbraw/zinc/49/43/27/530494327.db2.gz VKUFNTRJPNIAFE-LLVKDONJSA-N 1 2 384.234 -0.085 20 0 GBADLO O=C(N[C@H](CO)C[NH+]1CCOCC1)c1cnn2cc(Br)cnc12 ZINC000555544926 530494331 /nfs/dbraw/zinc/49/43/31/530494331.db2.gz VKUFNTRJPNIAFE-NSHDSACASA-N 1 2 384.234 -0.085 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CCc3cncs3)CC2)CC1 ZINC000555753338 530103867 /nfs/dbraw/zinc/10/38/67/530103867.db2.gz GEEPZXVJSJIIIE-UHFFFAOYSA-N 1 2 387.531 -0.288 20 0 GBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000556311545 1072306590 /nfs/dbraw/zinc/30/65/90/1072306590.db2.gz GWPAIRXNTAUVQN-HOTGVXAUSA-N 1 2 390.488 -0.457 20 0 GBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000556313161 1072329508 /nfs/dbraw/zinc/32/95/08/1072329508.db2.gz ISJJWFMRCCFHDK-CYBMUJFWSA-N 1 2 394.453 -0.014 20 0 GBADLO CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000556827857 530085542 /nfs/dbraw/zinc/08/55/42/530085542.db2.gz OFKDYCJNXBXFKD-CABCVRRESA-N 1 2 397.563 -0.264 20 0 GBADLO CS(=O)(=O)N[C@H]1CCCC[C@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000556827858 530085414 /nfs/dbraw/zinc/08/54/14/530085414.db2.gz OFKDYCJNXBXFKD-GJZGRUSLSA-N 1 2 397.563 -0.264 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000556827859 530085609 /nfs/dbraw/zinc/08/56/09/530085609.db2.gz OFKDYCJNXBXFKD-HUUCEWRRSA-N 1 2 397.563 -0.264 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000556827860 530085599 /nfs/dbraw/zinc/08/55/99/530085599.db2.gz OFKDYCJNXBXFKD-LSDHHAIUSA-N 1 2 397.563 -0.264 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CC1=O ZINC000556931818 530085596 /nfs/dbraw/zinc/08/55/96/530085596.db2.gz YRVBPZDVWWZFTN-KBPBESRZSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CC1=O ZINC000556931818 530085595 /nfs/dbraw/zinc/08/55/95/530085595.db2.gz YRVBPZDVWWZFTN-KBPBESRZSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CC1=O ZINC000556931823 530085592 /nfs/dbraw/zinc/08/55/92/530085592.db2.gz YRVBPZDVWWZFTN-KGLIPLIRSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)CC1=O ZINC000556931823 530085591 /nfs/dbraw/zinc/08/55/91/530085591.db2.gz YRVBPZDVWWZFTN-KGLIPLIRSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)CC1=O ZINC000556931825 530085606 /nfs/dbraw/zinc/08/56/06/530085606.db2.gz YRVBPZDVWWZFTN-UONOGXRCSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)CC1=O ZINC000556931825 530085605 /nfs/dbraw/zinc/08/56/05/530085605.db2.gz YRVBPZDVWWZFTN-UONOGXRCSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)CC1=O ZINC000556931827 530085460 /nfs/dbraw/zinc/08/54/60/530085460.db2.gz YRVBPZDVWWZFTN-ZIAGYGMSSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)CC1=O ZINC000556931827 530085458 /nfs/dbraw/zinc/08/54/58/530085458.db2.gz YRVBPZDVWWZFTN-ZIAGYGMSSA-N 1 2 375.491 -0.751 20 0 GBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000557060028 530086065 /nfs/dbraw/zinc/08/60/65/530086065.db2.gz LVSKALDBJXBLBY-LLVKDONJSA-N 1 2 385.833 -0.507 20 0 GBADLO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000557060033 530085831 /nfs/dbraw/zinc/08/58/31/530085831.db2.gz LVSKALDBJXBLBY-NSHDSACASA-N 1 2 385.833 -0.507 20 0 GBADLO CCCS(=O)(=O)N1CCC(NC(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000557230331 530085975 /nfs/dbraw/zinc/08/59/75/530085975.db2.gz CXXISDPDZAURKN-UHFFFAOYSA-N 1 2 376.523 -0.237 20 0 GBADLO CCCS(=O)(=O)N1CCC(NC(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000557230331 530085973 /nfs/dbraw/zinc/08/59/73/530085973.db2.gz CXXISDPDZAURKN-UHFFFAOYSA-N 1 2 376.523 -0.237 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000557419198 530086857 /nfs/dbraw/zinc/08/68/57/530086857.db2.gz YKFHCHLKRXFMLP-CYBMUJFWSA-N 1 2 390.531 -0.024 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000557419204 530086837 /nfs/dbraw/zinc/08/68/37/530086837.db2.gz YKFHCHLKRXFMLP-ZDUSSCGKSA-N 1 2 390.531 -0.024 20 0 GBADLO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000557494083 530086755 /nfs/dbraw/zinc/08/67/55/530086755.db2.gz XCTJMDHWYZKOTG-KBPBESRZSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000557494083 530086753 /nfs/dbraw/zinc/08/67/53/530086753.db2.gz XCTJMDHWYZKOTG-KBPBESRZSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000557494084 530086793 /nfs/dbraw/zinc/08/67/93/530086793.db2.gz XCTJMDHWYZKOTG-KGLIPLIRSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000557494084 530086792 /nfs/dbraw/zinc/08/67/92/530086792.db2.gz XCTJMDHWYZKOTG-KGLIPLIRSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000557494085 530086902 /nfs/dbraw/zinc/08/69/02/530086902.db2.gz XCTJMDHWYZKOTG-UONOGXRCSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000557494085 530086900 /nfs/dbraw/zinc/08/69/00/530086900.db2.gz XCTJMDHWYZKOTG-UONOGXRCSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000557494086 530086751 /nfs/dbraw/zinc/08/67/51/530086751.db2.gz XCTJMDHWYZKOTG-ZIAGYGMSSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000557494086 530086749 /nfs/dbraw/zinc/08/67/49/530086749.db2.gz XCTJMDHWYZKOTG-ZIAGYGMSSA-N 1 2 375.491 -0.751 20 0 GBADLO COc1c[nH+]c(NC[C@@H](C)S(C)(=O)=O)nc1NC[C@@H](C)S(C)(=O)=O ZINC000557640105 530087278 /nfs/dbraw/zinc/08/72/78/530087278.db2.gz JOFXQASFYYIBDQ-NXEZZACHSA-N 1 2 380.492 -0.981 20 0 GBADLO COc1c[nH+]c(NC[C@H](C)S(C)(=O)=O)nc1NC[C@H](C)S(C)(=O)=O ZINC000557640115 530087338 /nfs/dbraw/zinc/08/73/38/530087338.db2.gz JOFXQASFYYIBDQ-UWVGGRQHSA-N 1 2 380.492 -0.981 20 0 GBADLO COc1c[nH+]c(NC[C@@H](C)S(C)(=O)=O)nc1NC[C@H](C)S(C)(=O)=O ZINC000557640117 530087466 /nfs/dbraw/zinc/08/74/66/530087466.db2.gz JOFXQASFYYIBDQ-VHSXEESVSA-N 1 2 380.492 -0.981 20 0 GBADLO COc1c[nH+]c(NC[C@H](C)S(C)(=O)=O)nc1NC[C@@H](C)S(C)(=O)=O ZINC000557640121 530087153 /nfs/dbraw/zinc/08/71/53/530087153.db2.gz JOFXQASFYYIBDQ-ZJUUUORDSA-N 1 2 380.492 -0.981 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000557920724 530088772 /nfs/dbraw/zinc/08/87/72/530088772.db2.gz IJKVVBRJSMQZSY-LLVKDONJSA-N 1 2 389.499 -0.395 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000557920724 530088770 /nfs/dbraw/zinc/08/87/70/530088770.db2.gz IJKVVBRJSMQZSY-LLVKDONJSA-N 1 2 389.499 -0.395 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000557920725 530088835 /nfs/dbraw/zinc/08/88/35/530088835.db2.gz IJKVVBRJSMQZSY-NSHDSACASA-N 1 2 389.499 -0.395 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000557920725 530088834 /nfs/dbraw/zinc/08/88/34/530088834.db2.gz IJKVVBRJSMQZSY-NSHDSACASA-N 1 2 389.499 -0.395 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000558111858 1072541642 /nfs/dbraw/zinc/54/16/42/1072541642.db2.gz PEAIWYLZTVSQQF-SFHVURJKSA-N 1 2 387.444 -0.303 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)[C@H](C)C1 ZINC000558375175 1072565181 /nfs/dbraw/zinc/56/51/81/1072565181.db2.gz OTLNZZJJPZFCIX-TZMCWYRMSA-N 1 2 377.445 -0.521 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)[C@H](C)C1 ZINC000558375175 1072565171 /nfs/dbraw/zinc/56/51/71/1072565171.db2.gz OTLNZZJJPZFCIX-TZMCWYRMSA-N 1 2 377.445 -0.521 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000558462659 1072572766 /nfs/dbraw/zinc/57/27/66/1072572766.db2.gz UPKLGGAXOAMIME-OAHLLOKOSA-N 1 2 379.461 -0.200 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000558462659 1072572758 /nfs/dbraw/zinc/57/27/58/1072572758.db2.gz UPKLGGAXOAMIME-OAHLLOKOSA-N 1 2 379.461 -0.200 20 0 GBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)c1 ZINC000558527421 1072577854 /nfs/dbraw/zinc/57/78/54/1072577854.db2.gz OGYQKWQYJXCXNK-CQSZACIVSA-N 1 2 396.513 -0.080 20 0 GBADLO CN(C)S(=O)(=O)CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000558606102 530092171 /nfs/dbraw/zinc/09/21/71/530092171.db2.gz UHPAIRQYYHLLCK-AWEZNQCLSA-N 1 2 380.536 -0.615 20 0 GBADLO CN(C)S(=O)(=O)CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000558606111 530092184 /nfs/dbraw/zinc/09/21/84/530092184.db2.gz UHPAIRQYYHLLCK-CQSZACIVSA-N 1 2 380.536 -0.615 20 0 GBADLO Cc1nc(NCC[NH+]2CCN(c3ncccn3)CC2)sc1S(N)(=O)=O ZINC000558785393 530177514 /nfs/dbraw/zinc/17/75/14/530177514.db2.gz PTYHNNLTSGFQOR-UHFFFAOYSA-N 1 2 383.503 0.123 20 0 GBADLO CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000559158485 530095282 /nfs/dbraw/zinc/09/52/82/530095282.db2.gz FWKGIHLJLBSXFV-CYBMUJFWSA-N 1 2 383.536 -0.717 20 0 GBADLO CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000559158485 530095280 /nfs/dbraw/zinc/09/52/80/530095280.db2.gz FWKGIHLJLBSXFV-CYBMUJFWSA-N 1 2 383.536 -0.717 20 0 GBADLO CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000559158487 530095145 /nfs/dbraw/zinc/09/51/45/530095145.db2.gz FWKGIHLJLBSXFV-ZDUSSCGKSA-N 1 2 383.536 -0.717 20 0 GBADLO CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000559158487 530095141 /nfs/dbraw/zinc/09/51/41/530095141.db2.gz FWKGIHLJLBSXFV-ZDUSSCGKSA-N 1 2 383.536 -0.717 20 0 GBADLO CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000559260430 530096371 /nfs/dbraw/zinc/09/63/71/530096371.db2.gz WTFDSSSLDADMSR-AWEZNQCLSA-N 1 2 376.523 -0.821 20 0 GBADLO CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000559260431 530096311 /nfs/dbraw/zinc/09/63/11/530096311.db2.gz WTFDSSSLDADMSR-CQSZACIVSA-N 1 2 376.523 -0.821 20 0 GBADLO O=C(NCc1nnc2n1CCC2)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000559493201 1072311867 /nfs/dbraw/zinc/31/18/67/1072311867.db2.gz GDTGYJDUHQKNMM-KBPBESRZSA-N 1 2 376.461 -0.400 20 0 GBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000559551921 1072318392 /nfs/dbraw/zinc/31/83/92/1072318392.db2.gz AOTTZZXPLLRWKZ-CQSZACIVSA-N 1 2 395.485 -0.423 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)[NH+]1CCOCC1 ZINC000559551981 1072318103 /nfs/dbraw/zinc/31/81/03/1072318103.db2.gz CXKPRUPJNGDWAU-GDBMZVCRSA-N 1 2 380.489 -0.414 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)[NH+]1CCOCC1 ZINC000559551982 1072318002 /nfs/dbraw/zinc/31/80/02/1072318002.db2.gz CXKPRUPJNGDWAU-GOEBONIOSA-N 1 2 380.489 -0.414 20 0 GBADLO COCCN1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000559599098 1072321525 /nfs/dbraw/zinc/32/15/25/1072321525.db2.gz PLHVKOMVOUBVRJ-KRWDZBQOSA-N 1 2 384.521 -0.360 20 0 GBADLO COCCN1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000559599100 1072321627 /nfs/dbraw/zinc/32/16/27/1072321627.db2.gz PLHVKOMVOUBVRJ-QGZVFWFLSA-N 1 2 384.521 -0.360 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000559756511 530104721 /nfs/dbraw/zinc/10/47/21/530104721.db2.gz VZCPSOZXRBUANB-LLVKDONJSA-N 1 2 389.499 -0.395 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000559756514 530104549 /nfs/dbraw/zinc/10/45/49/530104549.db2.gz VZCPSOZXRBUANB-NSHDSACASA-N 1 2 389.499 -0.395 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000559938523 1072345607 /nfs/dbraw/zinc/34/56/07/1072345607.db2.gz CHCFAKYIDCUYFR-AWEZNQCLSA-N 1 2 397.501 -0.582 20 0 GBADLO CCOCC[NH+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000560379354 530106547 /nfs/dbraw/zinc/10/65/47/530106547.db2.gz WCNRMLLVQSVPFD-UHFFFAOYSA-N 1 2 397.563 -0.358 20 0 GBADLO CCCS(=O)(=O)NC1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000560791138 530107539 /nfs/dbraw/zinc/10/75/39/530107539.db2.gz DFQKEBFDXGGXMW-UHFFFAOYSA-N 1 2 376.523 -0.237 20 0 GBADLO CCCS(=O)(=O)NC1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000560791138 530107537 /nfs/dbraw/zinc/10/75/37/530107537.db2.gz DFQKEBFDXGGXMW-UHFFFAOYSA-N 1 2 376.523 -0.237 20 0 GBADLO CNS(=O)(=O)c1ccc(CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)s1 ZINC000560868959 530108012 /nfs/dbraw/zinc/10/80/12/530108012.db2.gz JRLBHCNXBHFEQQ-UHFFFAOYSA-N 1 2 376.504 -0.271 20 0 GBADLO CNS(=O)(=O)c1ccc(CNC(=O)C[N@H+](C)CC(=O)NC(C)C)s1 ZINC000560868959 530108009 /nfs/dbraw/zinc/10/80/09/530108009.db2.gz JRLBHCNXBHFEQQ-UHFFFAOYSA-N 1 2 376.504 -0.271 20 0 GBADLO COCC1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC000560971298 1072420912 /nfs/dbraw/zinc/42/09/12/1072420912.db2.gz OSIQOUDNVGBMMY-MRXNPFEDSA-N 1 2 383.489 -0.274 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000561225019 530108765 /nfs/dbraw/zinc/10/87/65/530108765.db2.gz IIINRZROKZVRFE-UHFFFAOYSA-N 1 2 375.520 -0.084 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000561225019 530108764 /nfs/dbraw/zinc/10/87/64/530108764.db2.gz IIINRZROKZVRFE-UHFFFAOYSA-N 1 2 375.520 -0.084 20 0 GBADLO COCc1cnc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000561250577 530108714 /nfs/dbraw/zinc/10/87/14/530108714.db2.gz PEFGZGWGRUQXST-UHFFFAOYSA-N 1 2 389.547 -0.101 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCc2[nH+]ccn2C)s1 ZINC000561297349 530109051 /nfs/dbraw/zinc/10/90/51/530109051.db2.gz UWLATNOMUZMCAM-UHFFFAOYSA-N 1 2 385.471 -0.499 20 0 GBADLO CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1)[C@@H](C)CS(=O)(=O)CC ZINC000561450590 530109511 /nfs/dbraw/zinc/10/95/11/530109511.db2.gz QGEDKWIRXGXAIL-KBPBESRZSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1)[C@@H](C)CS(=O)(=O)CC ZINC000561450590 530109509 /nfs/dbraw/zinc/10/95/09/530109509.db2.gz QGEDKWIRXGXAIL-KBPBESRZSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1)[C@H](C)CS(=O)(=O)CC ZINC000561450591 530109715 /nfs/dbraw/zinc/10/97/15/530109715.db2.gz QGEDKWIRXGXAIL-KGLIPLIRSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1)[C@H](C)CS(=O)(=O)CC ZINC000561450591 530109714 /nfs/dbraw/zinc/10/97/14/530109714.db2.gz QGEDKWIRXGXAIL-KGLIPLIRSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)[C@@H](C)CS(=O)(=O)CC ZINC000561450592 530109463 /nfs/dbraw/zinc/10/94/63/530109463.db2.gz QGEDKWIRXGXAIL-UONOGXRCSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1)[C@@H](C)CS(=O)(=O)CC ZINC000561450592 530109462 /nfs/dbraw/zinc/10/94/62/530109462.db2.gz QGEDKWIRXGXAIL-UONOGXRCSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)[C@H](C)CS(=O)(=O)CC ZINC000561450593 530109692 /nfs/dbraw/zinc/10/96/92/530109692.db2.gz QGEDKWIRXGXAIL-ZIAGYGMSSA-N 1 2 377.507 -0.505 20 0 GBADLO CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1)[C@H](C)CS(=O)(=O)CC ZINC000561450593 530109690 /nfs/dbraw/zinc/10/96/90/530109690.db2.gz QGEDKWIRXGXAIL-ZIAGYGMSSA-N 1 2 377.507 -0.505 20 0 GBADLO CC(=O)Nc1ncc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)s1 ZINC000561518741 530109937 /nfs/dbraw/zinc/10/99/37/530109937.db2.gz BOZIRKBBOXKNHD-CYBMUJFWSA-N 1 2 378.476 -0.537 20 0 GBADLO CC(=O)Nc1ncc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)s1 ZINC000561518742 530109849 /nfs/dbraw/zinc/10/98/49/530109849.db2.gz BOZIRKBBOXKNHD-ZDUSSCGKSA-N 1 2 378.476 -0.537 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561639592 530110388 /nfs/dbraw/zinc/11/03/88/530110388.db2.gz IHKLAJJFAGVRFU-GHMZBOCLSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561639592 530110386 /nfs/dbraw/zinc/11/03/86/530110386.db2.gz IHKLAJJFAGVRFU-GHMZBOCLSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561639597 530110305 /nfs/dbraw/zinc/11/03/05/530110305.db2.gz IHKLAJJFAGVRFU-MNOVXSKESA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561639597 530110302 /nfs/dbraw/zinc/11/03/02/530110302.db2.gz IHKLAJJFAGVRFU-MNOVXSKESA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561639599 530110221 /nfs/dbraw/zinc/11/02/21/530110221.db2.gz IHKLAJJFAGVRFU-QWRGUYRKSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561639599 530110220 /nfs/dbraw/zinc/11/02/20/530110220.db2.gz IHKLAJJFAGVRFU-QWRGUYRKSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561639600 530110364 /nfs/dbraw/zinc/11/03/64/530110364.db2.gz IHKLAJJFAGVRFU-WDEREUQCSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561639600 530110363 /nfs/dbraw/zinc/11/03/63/530110363.db2.gz IHKLAJJFAGVRFU-WDEREUQCSA-N 1 2 390.428 -0.171 20 0 GBADLO CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000561641066 530110370 /nfs/dbraw/zinc/11/03/70/530110370.db2.gz TZINTAOLKCCVBP-HUUCEWRRSA-N 1 2 375.539 -0.312 20 0 GBADLO CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000561641067 530110357 /nfs/dbraw/zinc/11/03/57/530110357.db2.gz TZINTAOLKCCVBP-LSDHHAIUSA-N 1 2 375.539 -0.312 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3C[C@@H]3C(F)F)CC2)CC1 ZINC000561984273 530111302 /nfs/dbraw/zinc/11/13/02/530111302.db2.gz SHDCRMCYYGFLBU-RYUDHWBXSA-N 1 2 381.449 -0.541 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)CC2(C(=O)OC)CCCC2)CC1 ZINC000561992709 530111308 /nfs/dbraw/zinc/11/13/08/530111308.db2.gz DUCRNBGQEHFXPI-UHFFFAOYSA-N 1 2 375.491 -0.150 20 0 GBADLO CS(=O)(=O)N1CCC(CS(=O)(=O)NCC[NH+]2CCSCC2)CC1 ZINC000562308030 530112465 /nfs/dbraw/zinc/11/24/65/530112465.db2.gz SXEMTHVKKVYFBG-UHFFFAOYSA-N 1 2 385.577 -0.374 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCSCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000562439048 530112318 /nfs/dbraw/zinc/11/23/18/530112318.db2.gz YZJUMMIOXKDZBR-UHFFFAOYSA-N 1 2 392.547 -0.471 20 0 GBADLO C[C@H]1CSC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000562876794 530113127 /nfs/dbraw/zinc/11/31/27/530113127.db2.gz IGGGGDUZZKGVFL-KBPBESRZSA-N 1 2 391.563 -0.443 20 0 GBADLO C[C@@H]1CSC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000562876795 530113229 /nfs/dbraw/zinc/11/32/29/530113229.db2.gz IGGGGDUZZKGVFL-KGLIPLIRSA-N 1 2 391.563 -0.443 20 0 GBADLO C[C@H]1CSC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000562876796 530113031 /nfs/dbraw/zinc/11/30/31/530113031.db2.gz IGGGGDUZZKGVFL-UONOGXRCSA-N 1 2 391.563 -0.443 20 0 GBADLO C[C@@H]1CSC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000562876797 530113024 /nfs/dbraw/zinc/11/30/24/530113024.db2.gz IGGGGDUZZKGVFL-ZIAGYGMSSA-N 1 2 391.563 -0.443 20 0 GBADLO [NH3+][C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cscn1 ZINC000562972188 1072229481 /nfs/dbraw/zinc/22/94/81/1072229481.db2.gz MCHBFAKLYOYFBO-AWEZNQCLSA-N 1 2 395.466 -0.098 20 0 GBADLO [NH3+][C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cscn1 ZINC000562972189 1072229659 /nfs/dbraw/zinc/22/96/59/1072229659.db2.gz MCHBFAKLYOYFBO-CQSZACIVSA-N 1 2 395.466 -0.098 20 0 GBADLO CCOC(=O)c1ccc(N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)nc1 ZINC000563056187 1073299499 /nfs/dbraw/zinc/29/94/99/1073299499.db2.gz BZOSNGULSGWHID-UHFFFAOYSA-N 1 2 375.429 -0.661 20 0 GBADLO COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)CN1CC[NH2+]CC1=O ZINC000563092548 1072262075 /nfs/dbraw/zinc/26/20/75/1072262075.db2.gz PFBOOAGBCOGSJT-UHFFFAOYSA-N 1 2 379.413 -0.363 20 0 GBADLO O=S(=O)(CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)c1cccc(Br)c1 ZINC000563142067 530193086 /nfs/dbraw/zinc/19/30/86/530193086.db2.gz LJTZCPBLZLOQFE-VXGBXAGGSA-N 1 2 398.300 -0.030 20 0 GBADLO CN(C(=O)CN1CC[NH2+]CC1=O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000563159672 530196023 /nfs/dbraw/zinc/19/60/23/530196023.db2.gz FYRQLNJEEGVORC-AWEZNQCLSA-N 1 2 383.246 -0.134 20 0 GBADLO CN(C(=O)CN1CC[NH2+]CC1=O)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000563159677 530196098 /nfs/dbraw/zinc/19/60/98/530196098.db2.gz FYRQLNJEEGVORC-CQSZACIVSA-N 1 2 383.246 -0.134 20 0 GBADLO O=C(c1cc(F)c(F)c(O)c1F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563168899 530198635 /nfs/dbraw/zinc/19/86/35/530198635.db2.gz BUGWUVCZCIMBEH-UHFFFAOYSA-N 1 2 379.360 -0.131 20 0 GBADLO COC(=O)[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CC1CC1 ZINC000563321539 1073836052 /nfs/dbraw/zinc/83/60/52/1073836052.db2.gz UVPFLOXRWDTCHL-CVEARBPZSA-N 1 2 381.473 -0.127 20 0 GBADLO COC(=O)[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CC1CC1 ZINC000563321549 1072345468 /nfs/dbraw/zinc/34/54/68/1072345468.db2.gz UVPFLOXRWDTCHL-HOTGVXAUSA-N 1 2 381.473 -0.127 20 0 GBADLO COC(=O)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CC1CC1 ZINC000563321550 1072345347 /nfs/dbraw/zinc/34/53/47/1072345347.db2.gz UVPFLOXRWDTCHL-HZPDHXFCSA-N 1 2 381.473 -0.127 20 0 GBADLO COC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CC1CC1 ZINC000563321551 1072345333 /nfs/dbraw/zinc/34/53/33/1072345333.db2.gz UVPFLOXRWDTCHL-JKSUJKDBSA-N 1 2 381.473 -0.127 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c(=O)n(C)c1=O ZINC000563363510 1072358497 /nfs/dbraw/zinc/35/84/97/1072358497.db2.gz ISAPXXXWELMEEY-GFCCVEGCSA-N 1 2 379.461 -0.480 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c(=O)n(C)c1=O ZINC000563363510 1072358487 /nfs/dbraw/zinc/35/84/87/1072358487.db2.gz ISAPXXXWELMEEY-GFCCVEGCSA-N 1 2 379.461 -0.480 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c(=O)n(C)c1=O ZINC000563363511 1072358285 /nfs/dbraw/zinc/35/82/85/1072358285.db2.gz ISAPXXXWELMEEY-LBPRGKRZSA-N 1 2 379.461 -0.480 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c(=O)n(C)c1=O ZINC000563363511 1072358279 /nfs/dbraw/zinc/35/82/79/1072358279.db2.gz ISAPXXXWELMEEY-LBPRGKRZSA-N 1 2 379.461 -0.480 20 0 GBADLO C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563427921 530207300 /nfs/dbraw/zinc/20/73/00/530207300.db2.gz DKWNBJOIOMXHBZ-JTQLQIEISA-N 1 2 379.464 -0.918 20 0 GBADLO C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563427922 530207382 /nfs/dbraw/zinc/20/73/82/530207382.db2.gz DKWNBJOIOMXHBZ-SNVBAGLBSA-N 1 2 379.464 -0.918 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563429450 530206949 /nfs/dbraw/zinc/20/69/49/530206949.db2.gz JBXRHGKYZVVUFB-GHMZBOCLSA-N 1 2 393.491 -0.624 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563429452 530206726 /nfs/dbraw/zinc/20/67/26/530206726.db2.gz JBXRHGKYZVVUFB-MNOVXSKESA-N 1 2 393.491 -0.624 20 0 GBADLO CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563429454 530206833 /nfs/dbraw/zinc/20/68/33/530206833.db2.gz JBXRHGKYZVVUFB-QWRGUYRKSA-N 1 2 393.491 -0.624 20 0 GBADLO CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563429456 530206776 /nfs/dbraw/zinc/20/67/76/530206776.db2.gz JBXRHGKYZVVUFB-WDEREUQCSA-N 1 2 393.491 -0.624 20 0 GBADLO CC(C)N1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000563429464 530206698 /nfs/dbraw/zinc/20/66/98/530206698.db2.gz OQFSIUXCDDBJEJ-UHFFFAOYSA-N 1 2 379.508 -0.103 20 0 GBADLO O=C1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3c[nH+]c[nH]3)CCN12 ZINC000563429868 530206683 /nfs/dbraw/zinc/20/66/83/530206683.db2.gz JAPYXFGBPWCDII-LLVKDONJSA-N 1 2 391.475 -0.822 20 0 GBADLO O=C1CC[C@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3c[nH+]c[nH]3)CCN12 ZINC000563429869 530206961 /nfs/dbraw/zinc/20/69/61/530206961.db2.gz JAPYXFGBPWCDII-NSHDSACASA-N 1 2 391.475 -0.822 20 0 GBADLO CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563430927 530206801 /nfs/dbraw/zinc/20/68/01/530206801.db2.gz FKWAFWLUKMZZNS-JTQLQIEISA-N 1 2 379.464 -0.918 20 0 GBADLO CC[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563430929 530206931 /nfs/dbraw/zinc/20/69/31/530206931.db2.gz FKWAFWLUKMZZNS-SNVBAGLBSA-N 1 2 379.464 -0.918 20 0 GBADLO CC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000563430946 530206921 /nfs/dbraw/zinc/20/69/21/530206921.db2.gz JSZONUDELIASTI-LLVKDONJSA-N 1 2 379.464 -0.918 20 0 GBADLO CC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000563430947 530206862 /nfs/dbraw/zinc/20/68/62/530206862.db2.gz JSZONUDELIASTI-NSHDSACASA-N 1 2 379.464 -0.918 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC(OC(F)F)C1)Nc1cc[nH+]cc1 ZINC000563431988 530206667 /nfs/dbraw/zinc/20/66/67/530206667.db2.gz UIGCBJVBHWKTKY-UHFFFAOYSA-N 1 2 385.414 -0.112 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC(=O)N1C ZINC000563433621 530206676 /nfs/dbraw/zinc/20/66/76/530206676.db2.gz YCSAXUAPHQAWSG-JTQLQIEISA-N 1 2 379.464 -0.966 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC(=O)N1C ZINC000563433622 530206875 /nfs/dbraw/zinc/20/68/75/530206875.db2.gz YCSAXUAPHQAWSG-SNVBAGLBSA-N 1 2 379.464 -0.966 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000563470423 530207150 /nfs/dbraw/zinc/20/71/50/530207150.db2.gz PXJLFOPYTOZSMN-CQSZACIVSA-N 1 2 377.511 -0.769 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000563538818 1072425396 /nfs/dbraw/zinc/42/53/96/1072425396.db2.gz HULAYNVHSUIWQW-CYBMUJFWSA-N 1 2 386.478 -0.629 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000563762878 530281965 /nfs/dbraw/zinc/28/19/65/530281965.db2.gz FBQYPVHVMIMOLK-UHFFFAOYSA-N 1 2 389.499 -0.442 20 0 GBADLO Cc1c(CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)cnn1C ZINC000563820699 530281912 /nfs/dbraw/zinc/28/19/12/530281912.db2.gz KPNAPWPBZKWNLS-UHFFFAOYSA-N 1 2 376.464 -0.297 20 0 GBADLO CNS(=O)(=O)CCC[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000563959570 530300156 /nfs/dbraw/zinc/30/01/56/530300156.db2.gz ICRBHQQCFJXESL-UHFFFAOYSA-N 1 2 390.531 -0.422 20 0 GBADLO CC(C)N1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000563976487 530300348 /nfs/dbraw/zinc/30/03/48/530300348.db2.gz WTCOWLNHODMIFM-UHFFFAOYSA-N 1 2 393.491 -0.576 20 0 GBADLO C[C@H](CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)S(N)(=O)=O ZINC000563985199 530300212 /nfs/dbraw/zinc/30/02/12/530300212.db2.gz BHEJNBRAVLNHDX-LLVKDONJSA-N 1 2 377.488 -0.571 20 0 GBADLO C[C@@H](CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)S(N)(=O)=O ZINC000563985200 530300396 /nfs/dbraw/zinc/30/03/96/530300396.db2.gz BHEJNBRAVLNHDX-NSHDSACASA-N 1 2 377.488 -0.571 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)CCCCCS(N)(=O)=O)CC1 ZINC000564088873 530347458 /nfs/dbraw/zinc/34/74/58/530347458.db2.gz ILIJBGYAAXRWFV-UHFFFAOYSA-N 1 2 376.523 -0.152 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000564223091 530474256 /nfs/dbraw/zinc/47/42/56/530474256.db2.gz LLYVGFYBNYDQGV-GFCCVEGCSA-N 1 2 391.877 -0.248 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000564223092 530474198 /nfs/dbraw/zinc/47/41/98/530474198.db2.gz LLYVGFYBNYDQGV-LBPRGKRZSA-N 1 2 391.877 -0.248 20 0 GBADLO O=S(=O)(NCCNc1ccc2ccccc2[nH+]1)N1CCS(=O)(=O)CC1 ZINC000564225224 530176628 /nfs/dbraw/zinc/17/66/28/530176628.db2.gz CLAHHGRWMWCEPH-UHFFFAOYSA-N 1 2 384.483 0.212 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C2(CC(=O)OCC)CC2)CC1 ZINC000564252878 530477003 /nfs/dbraw/zinc/47/70/03/530477003.db2.gz KXKHCJGJKAYTPJ-UHFFFAOYSA-N 1 2 375.491 -0.054 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C2(CC(=O)OCC)CC2)CC1 ZINC000564252878 530477000 /nfs/dbraw/zinc/47/70/00/530477000.db2.gz KXKHCJGJKAYTPJ-UHFFFAOYSA-N 1 2 375.491 -0.054 20 0 GBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000564340962 530483937 /nfs/dbraw/zinc/48/39/37/530483937.db2.gz FHXZENMQAPPVPL-UHFFFAOYSA-N 1 2 375.413 -0.009 20 0 GBADLO Cn1cc(I)c(C[NH2+]C[C@H](O)CN2CCOCC2)n1 ZINC000564442068 530088604 /nfs/dbraw/zinc/08/86/04/530088604.db2.gz APYIYVLJAJIZTR-JTQLQIEISA-N 1 2 380.230 -0.193 20 0 GBADLO Cn1cc(I)c(CNC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000564442068 530088600 /nfs/dbraw/zinc/08/86/00/530088600.db2.gz APYIYVLJAJIZTR-JTQLQIEISA-N 1 2 380.230 -0.193 20 0 GBADLO Cn1cc(I)c(C[NH2+]C[C@@H](O)CN2CCOCC2)n1 ZINC000564442086 530088619 /nfs/dbraw/zinc/08/86/19/530088619.db2.gz APYIYVLJAJIZTR-SNVBAGLBSA-N 1 2 380.230 -0.193 20 0 GBADLO Cn1cc(I)c(CNC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000564442086 530088617 /nfs/dbraw/zinc/08/86/17/530088617.db2.gz APYIYVLJAJIZTR-SNVBAGLBSA-N 1 2 380.230 -0.193 20 0 GBADLO CC(C)N1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1=O ZINC000564469938 530100270 /nfs/dbraw/zinc/10/02/70/530100270.db2.gz JCWVUOOGHHYDQA-LLVKDONJSA-N 1 2 393.491 -0.530 20 0 GBADLO CC(C)N1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1=O ZINC000564469944 530100095 /nfs/dbraw/zinc/10/00/95/530100095.db2.gz JCWVUOOGHHYDQA-NSHDSACASA-N 1 2 393.491 -0.530 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000564537539 530495218 /nfs/dbraw/zinc/49/52/18/530495218.db2.gz YKFGJPDKHQXXCQ-NEPJUHHUSA-N 1 2 379.508 -0.512 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000564537543 530495254 /nfs/dbraw/zinc/49/52/54/530495254.db2.gz YKFGJPDKHQXXCQ-NWDGAFQWSA-N 1 2 379.508 -0.512 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000564537544 530299834 /nfs/dbraw/zinc/29/98/34/530299834.db2.gz YKFGJPDKHQXXCQ-RYUDHWBXSA-N 1 2 379.508 -0.512 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000564537545 530299992 /nfs/dbraw/zinc/29/99/92/530299992.db2.gz YKFGJPDKHQXXCQ-VXGBXAGGSA-N 1 2 379.508 -0.512 20 0 GBADLO O=S(=O)(NCCOCCO)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000564739697 530495718 /nfs/dbraw/zinc/49/57/18/530495718.db2.gz GGAGMXQIYWGRBZ-UHFFFAOYSA-N 1 2 390.443 -0.502 20 0 GBADLO O=S(=O)(NCc1ccccc1Cn1cc[nH+]c1)N1CCS(=O)(=O)CC1 ZINC000565061899 530496161 /nfs/dbraw/zinc/49/61/61/530496161.db2.gz CFUCKXXEZVFJNW-UHFFFAOYSA-N 1 2 384.483 -0.004 20 0 GBADLO CN(CCCNC(=O)CN1CCC[C@H]([NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000565173411 530496186 /nfs/dbraw/zinc/49/61/86/530496186.db2.gz QZKVDQKBUYCUHX-HNNXBMFYSA-N 1 2 376.523 -0.819 20 0 GBADLO CN(CCCNC(=O)CN1CCC[C@@H]([NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000565173429 530496194 /nfs/dbraw/zinc/49/61/94/530496194.db2.gz QZKVDQKBUYCUHX-OAHLLOKOSA-N 1 2 376.523 -0.819 20 0 GBADLO CN1C[C@@H](NS(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000565227923 530496590 /nfs/dbraw/zinc/49/65/90/530496590.db2.gz NWLBQFFCRQPQKB-JTQLQIEISA-N 1 2 379.464 -0.918 20 0 GBADLO CN1C[C@H](NS(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000565227925 530496317 /nfs/dbraw/zinc/49/63/17/530496317.db2.gz NWLBQFFCRQPQKB-SNVBAGLBSA-N 1 2 379.464 -0.918 20 0 GBADLO CN(Cc1cnn(C)c1)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565228132 530496336 /nfs/dbraw/zinc/49/63/36/530496336.db2.gz OURPZPOEYPNEEP-UHFFFAOYSA-N 1 2 376.464 -0.263 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000565228188 530496455 /nfs/dbraw/zinc/49/64/55/530496455.db2.gz ULQYBZRPCOROPK-UHFFFAOYSA-N 1 2 393.491 -0.575 20 0 GBADLO C[C@@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@H]1CO ZINC000565228193 530496306 /nfs/dbraw/zinc/49/63/06/530496306.db2.gz VFWVVNUBVYRUEQ-NEPJUHHUSA-N 1 2 380.492 -0.036 20 0 GBADLO C[C@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@@H]1CO ZINC000565228194 530496391 /nfs/dbraw/zinc/49/63/91/530496391.db2.gz VFWVVNUBVYRUEQ-NWDGAFQWSA-N 1 2 380.492 -0.036 20 0 GBADLO C[C@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@H]1CO ZINC000565228195 530496606 /nfs/dbraw/zinc/49/66/06/530496606.db2.gz VFWVVNUBVYRUEQ-RYUDHWBXSA-N 1 2 380.492 -0.036 20 0 GBADLO C[C@@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@@H]1CO ZINC000565228196 530496525 /nfs/dbraw/zinc/49/65/25/530496525.db2.gz VFWVVNUBVYRUEQ-VXGBXAGGSA-N 1 2 380.492 -0.036 20 0 GBADLO O=C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CN1CC1CC1 ZINC000565312494 530496968 /nfs/dbraw/zinc/49/69/68/530496968.db2.gz COQGZZMMXFVRGH-UHFFFAOYSA-N 1 2 391.475 -0.617 20 0 GBADLO CCS(=O)(=O)N1CCC(CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000565321816 530497026 /nfs/dbraw/zinc/49/70/26/530497026.db2.gz PNGYGHCHFYRENK-UHFFFAOYSA-N 1 2 376.523 -0.379 20 0 GBADLO CCS(=O)(=O)N1CCC(CNC(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000565321816 530497024 /nfs/dbraw/zinc/49/70/24/530497024.db2.gz PNGYGHCHFYRENK-UHFFFAOYSA-N 1 2 376.523 -0.379 20 0 GBADLO C[C@H]1C(=O)NCCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565434412 530496998 /nfs/dbraw/zinc/49/69/98/530496998.db2.gz ZPBWFAADOAQPQJ-JTQLQIEISA-N 1 2 379.464 -0.918 20 0 GBADLO C[C@@H]1C(=O)NCCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000565434413 530496949 /nfs/dbraw/zinc/49/69/49/530496949.db2.gz ZPBWFAADOAQPQJ-SNVBAGLBSA-N 1 2 379.464 -0.918 20 0 GBADLO COC(=O)CC1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CCOCC1 ZINC000565495629 530496875 /nfs/dbraw/zinc/49/68/75/530496875.db2.gz HJWKZVVXLLBFHG-UHFFFAOYSA-N 1 2 378.491 -0.012 20 0 GBADLO Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)n(C)n1 ZINC000565726073 530497698 /nfs/dbraw/zinc/49/76/98/530497698.db2.gz OKQGXGPSCSPPSK-UHFFFAOYSA-N 1 2 376.464 -0.297 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000565843459 530497653 /nfs/dbraw/zinc/49/76/53/530497653.db2.gz PBQZPARLDOOLDI-UHFFFAOYSA-N 1 2 379.508 -0.101 20 0 GBADLO COC(=O)[C@](C)(O)C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000565970371 530498035 /nfs/dbraw/zinc/49/80/35/530498035.db2.gz BFEOUGSGYLYXON-LLVKDONJSA-N 1 2 377.385 -0.639 20 0 GBADLO COC(=O)[C@@](C)(O)C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000565970383 530498230 /nfs/dbraw/zinc/49/82/30/530498230.db2.gz BFEOUGSGYLYXON-NSHDSACASA-N 1 2 377.385 -0.639 20 0 GBADLO Cc1c(Cl)c(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1C ZINC000566003616 530498079 /nfs/dbraw/zinc/49/80/79/530498079.db2.gz LUAIQEQSBOBCMG-UHFFFAOYSA-N 1 2 390.941 -0.008 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000566322218 530106726 /nfs/dbraw/zinc/10/67/26/530106726.db2.gz AILVKNZBYGCGQU-AWEZNQCLSA-N 1 2 380.536 -0.951 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000566322219 530106777 /nfs/dbraw/zinc/10/67/77/530106777.db2.gz AILVKNZBYGCGQU-CQSZACIVSA-N 1 2 380.536 -0.951 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000566355409 530498509 /nfs/dbraw/zinc/49/85/09/530498509.db2.gz WSMIFTPUATVLAA-GFCCVEGCSA-N 1 2 379.508 -0.559 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000566355410 530498683 /nfs/dbraw/zinc/49/86/83/530498683.db2.gz WSMIFTPUATVLAA-LBPRGKRZSA-N 1 2 379.508 -0.559 20 0 GBADLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000566439822 530498663 /nfs/dbraw/zinc/49/86/63/530498663.db2.gz OVTILKBFYKLANR-UHFFFAOYSA-N 1 2 388.877 -0.119 20 0 GBADLO Cn1cc(S(=O)(=O)NCC(=O)NCC2CC[NH+](CC(F)F)CC2)cn1 ZINC000566462710 530498493 /nfs/dbraw/zinc/49/84/93/530498493.db2.gz PFMMNTJUCJKPSP-UHFFFAOYSA-N 1 2 379.433 -0.208 20 0 GBADLO CC[C@@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000566485886 530499053 /nfs/dbraw/zinc/49/90/53/530499053.db2.gz JIPMEQOHHPBQJY-LLVKDONJSA-N 1 2 393.491 -0.528 20 0 GBADLO CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000566485887 530498846 /nfs/dbraw/zinc/49/88/46/530498846.db2.gz JIPMEQOHHPBQJY-NSHDSACASA-N 1 2 393.491 -0.528 20 0 GBADLO COC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000566486610 530498980 /nfs/dbraw/zinc/49/89/80/530498980.db2.gz KCRADPUOXGYVMC-SNVBAGLBSA-N 1 2 390.443 -0.504 20 0 GBADLO O=C1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CN1C1CC1 ZINC000566486973 530498993 /nfs/dbraw/zinc/49/89/93/530498993.db2.gz LVGOKDKMGCXZMV-UHFFFAOYSA-N 1 2 391.475 -0.475 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000566488253 530498930 /nfs/dbraw/zinc/49/89/30/530498930.db2.gz UWBJOTYMWZXGHT-UHFFFAOYSA-N 1 2 379.464 -0.965 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H](C)N1C ZINC000566488374 530498919 /nfs/dbraw/zinc/49/89/19/530498919.db2.gz WOONEKNNJRRJDY-TXEJJXNPSA-N 1 2 379.508 -0.104 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000566492892 530499419 /nfs/dbraw/zinc/49/94/19/530499419.db2.gz XCMOUTPAJAQVBX-UHFFFAOYSA-N 1 2 377.488 -0.670 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c(F)c1 ZINC000566492922 530499345 /nfs/dbraw/zinc/49/93/45/530499345.db2.gz XYDLXJUNBQKDOC-UHFFFAOYSA-N 1 2 395.478 -0.068 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCc2c[nH]nc2C1)Nc1c[nH+]c[nH]1 ZINC000566629224 530499455 /nfs/dbraw/zinc/49/94/55/530499455.db2.gz BVDZSNBIIHNGBP-LLVKDONJSA-N 1 2 388.475 -0.259 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@H]1CCc2c[nH]nc2C1)Nc1c[nH+]c[nH]1 ZINC000566629227 530499517 /nfs/dbraw/zinc/49/95/17/530499517.db2.gz BVDZSNBIIHNGBP-NSHDSACASA-N 1 2 388.475 -0.259 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCNS(=O)(=O)c1cccnc1 ZINC000566648724 530499549 /nfs/dbraw/zinc/49/95/49/530499549.db2.gz CHHPOQTWDIVZNY-UHFFFAOYSA-N 1 2 388.475 -0.999 20 0 GBADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000566714761 530499936 /nfs/dbraw/zinc/49/99/36/530499936.db2.gz GBKIZVDZRWAXEL-DZGCQCFKSA-N 1 2 375.491 -0.305 20 0 GBADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000566714761 530499933 /nfs/dbraw/zinc/49/99/33/530499933.db2.gz GBKIZVDZRWAXEL-DZGCQCFKSA-N 1 2 375.491 -0.305 20 0 GBADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000566714762 530499910 /nfs/dbraw/zinc/49/99/10/530499910.db2.gz GBKIZVDZRWAXEL-ZFWWWQNUSA-N 1 2 375.491 -0.305 20 0 GBADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000566714762 530499909 /nfs/dbraw/zinc/49/99/09/530499909.db2.gz GBKIZVDZRWAXEL-ZFWWWQNUSA-N 1 2 375.491 -0.305 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000566769200 530499955 /nfs/dbraw/zinc/49/99/55/530499955.db2.gz QXYCGSUQCAILSN-UHFFFAOYSA-N 1 2 387.487 -0.394 20 0 GBADLO Cn1cc(Cl)c(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000566790301 530499831 /nfs/dbraw/zinc/49/98/31/530499831.db2.gz GEBFNKXAWAHBAG-UHFFFAOYSA-N 1 2 376.914 -0.317 20 0 GBADLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCn3nccc32)CC1 ZINC000566865364 530499675 /nfs/dbraw/zinc/49/96/75/530499675.db2.gz AIIBQDJFXGHREQ-UHFFFAOYSA-N 1 2 391.519 -0.610 20 0 GBADLO C[C@@H](NC(=O)[C@H]([NH3+])c1c(F)cccc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000567230899 530500114 /nfs/dbraw/zinc/50/01/14/530500114.db2.gz LZMHBYOBGSTGGX-NOZJJQNGSA-N 1 2 375.397 -0.274 20 0 GBADLO C[C@@H](NC(=O)[C@@H]([NH3+])c1c(F)cccc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000567230900 530500248 /nfs/dbraw/zinc/50/02/48/530500248.db2.gz LZMHBYOBGSTGGX-RNCFNFMXSA-N 1 2 375.397 -0.274 20 0 GBADLO C[C@H](NC(=O)[C@H]([NH3+])c1c(F)cccc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000567230901 530500140 /nfs/dbraw/zinc/50/01/40/530500140.db2.gz LZMHBYOBGSTGGX-TVQRCGJNSA-N 1 2 375.397 -0.274 20 0 GBADLO C[C@H](NC(=O)[C@@H]([NH3+])c1c(F)cccc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000567230902 530500396 /nfs/dbraw/zinc/50/03/96/530500396.db2.gz LZMHBYOBGSTGGX-ZANVPECISA-N 1 2 375.397 -0.274 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000567332258 530500572 /nfs/dbraw/zinc/50/05/72/530500572.db2.gz DDAVHAVCLKGFKD-UHFFFAOYSA-N 1 2 394.563 -0.225 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000567472865 530500664 /nfs/dbraw/zinc/50/06/64/530500664.db2.gz XFVWFSUPNFANKY-HNNXBMFYSA-N 1 2 395.257 -0.120 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000567472866 530500809 /nfs/dbraw/zinc/50/08/09/530500809.db2.gz XFVWFSUPNFANKY-OAHLLOKOSA-N 1 2 395.257 -0.120 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCN(C2CC2)CC1)Nc1c[nH+]c[nH]1 ZINC000567521202 530500971 /nfs/dbraw/zinc/50/09/71/530500971.db2.gz UJWKYBGLDYYXMP-UHFFFAOYSA-N 1 2 377.492 -0.349 20 0 GBADLO CN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C(C)(C)C1=O ZINC000567627192 530501213 /nfs/dbraw/zinc/50/12/13/530501213.db2.gz GWJJRSKWGBYGOG-UHFFFAOYSA-N 1 2 393.491 -0.576 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccn(C)n1 ZINC000567768320 530501421 /nfs/dbraw/zinc/50/14/21/530501421.db2.gz KPCMZNQYVQWPKU-CYBMUJFWSA-N 1 2 378.520 -0.060 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccn(C)n1 ZINC000567768321 530501564 /nfs/dbraw/zinc/50/15/64/530501564.db2.gz KPCMZNQYVQWPKU-ZDUSSCGKSA-N 1 2 378.520 -0.060 20 0 GBADLO Cn1cnc(NS(=O)(=O)c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2)n1 ZINC000567915395 530501811 /nfs/dbraw/zinc/50/18/11/530501811.db2.gz QLKLHGPDTBGMRQ-UHFFFAOYSA-N 1 2 388.475 -0.544 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H](C)[N@@H+]1CCO ZINC000568028515 530502160 /nfs/dbraw/zinc/50/21/60/530502160.db2.gz GILHMVXJCANUKN-TXEJJXNPSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H](C)[N@H+]1CCO ZINC000568028515 530502156 /nfs/dbraw/zinc/50/21/56/530502156.db2.gz GILHMVXJCANUKN-TXEJJXNPSA-N 1 2 377.488 -0.590 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC[C@H]3F)CC2)CC1 ZINC000568196190 530502274 /nfs/dbraw/zinc/50/22/74/530502274.db2.gz JDEWXCCYOCXSGJ-KGLIPLIRSA-N 1 2 377.486 -0.304 20 0 GBADLO COC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000568252613 530502628 /nfs/dbraw/zinc/50/26/28/530502628.db2.gz YVAYDJNJPLAGKE-JTQLQIEISA-N 1 2 390.443 -0.504 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H](CO)CC1)Nc1c[nH+]c[nH]1 ZINC000568255795 530502770 /nfs/dbraw/zinc/50/27/70/530502770.db2.gz DAMVIYAZKFOCAD-GFCCVEGCSA-N 1 2 380.492 -0.034 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC[C@H](CO)CC1)Nc1c[nH+]c[nH]1 ZINC000568255796 530502599 /nfs/dbraw/zinc/50/25/99/530502599.db2.gz DAMVIYAZKFOCAD-LBPRGKRZSA-N 1 2 380.492 -0.034 20 0 GBADLO CC1(C)CNC(=O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000568256623 530502622 /nfs/dbraw/zinc/50/26/22/530502622.db2.gz YKJHNOIPRKDCDV-UHFFFAOYSA-N 1 2 379.464 -0.918 20 0 GBADLO C[C@@]1(C(N)=O)CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000568295068 530503099 /nfs/dbraw/zinc/50/30/99/530503099.db2.gz OONGZHYPENXILJ-CYBMUJFWSA-N 1 2 393.491 -0.541 20 0 GBADLO C[C@]1(C(N)=O)CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000568295069 530503061 /nfs/dbraw/zinc/50/30/61/530503061.db2.gz OONGZHYPENXILJ-ZDUSSCGKSA-N 1 2 393.491 -0.541 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)NC1(CF)CCOCC1)Nc1c[nH+]c[nH]1 ZINC000568412910 530503085 /nfs/dbraw/zinc/50/30/85/530503085.db2.gz NBPQBAPLZGNPRQ-UHFFFAOYSA-N 1 2 384.455 -0.020 20 0 GBADLO CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000568448341 530503504 /nfs/dbraw/zinc/50/35/04/530503504.db2.gz HPQIOSFWAKJKEU-AWEZNQCLSA-N 1 2 377.511 -0.769 20 0 GBADLO CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000568448342 530503614 /nfs/dbraw/zinc/50/36/14/530503614.db2.gz HPQIOSFWAKJKEU-CQSZACIVSA-N 1 2 377.511 -0.769 20 0 GBADLO NC(=O)[C@]1([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)CCOC1 ZINC000568648971 530503886 /nfs/dbraw/zinc/50/38/86/530503886.db2.gz HLMYUDYJASBIFM-HNNXBMFYSA-N 1 2 399.245 -0.262 20 0 GBADLO NC(=O)[C@@]1([NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)CCOC1 ZINC000568648975 530503825 /nfs/dbraw/zinc/50/38/25/530503825.db2.gz HLMYUDYJASBIFM-OAHLLOKOSA-N 1 2 399.245 -0.262 20 0 GBADLO CN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000568768327 530504082 /nfs/dbraw/zinc/50/40/82/530504082.db2.gz OUIZTWQHRSMFDW-UHFFFAOYSA-N 1 2 379.464 -0.965 20 0 GBADLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000568818226 530503772 /nfs/dbraw/zinc/50/37/72/530503772.db2.gz IOVFPBWPKAHTJV-LLVKDONJSA-N 1 2 376.429 -0.395 20 0 GBADLO CN1CC[N@H+](C)C[C@H]1CNC(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000568818226 530503770 /nfs/dbraw/zinc/50/37/70/530503770.db2.gz IOVFPBWPKAHTJV-LLVKDONJSA-N 1 2 376.429 -0.395 20 0 GBADLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000568818227 530503863 /nfs/dbraw/zinc/50/38/63/530503863.db2.gz IOVFPBWPKAHTJV-NSHDSACASA-N 1 2 376.429 -0.395 20 0 GBADLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000568818227 530503861 /nfs/dbraw/zinc/50/38/61/530503861.db2.gz IOVFPBWPKAHTJV-NSHDSACASA-N 1 2 376.429 -0.395 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000568940120 530504332 /nfs/dbraw/zinc/50/43/32/530504332.db2.gz XEAREIVZSNMMHM-AWEZNQCLSA-N 1 2 377.511 -0.769 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000568940120 530504329 /nfs/dbraw/zinc/50/43/29/530504329.db2.gz XEAREIVZSNMMHM-AWEZNQCLSA-N 1 2 377.511 -0.769 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000568940121 530504289 /nfs/dbraw/zinc/50/42/89/530504289.db2.gz XEAREIVZSNMMHM-CQSZACIVSA-N 1 2 377.511 -0.769 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000568940121 530504287 /nfs/dbraw/zinc/50/42/87/530504287.db2.gz XEAREIVZSNMMHM-CQSZACIVSA-N 1 2 377.511 -0.769 20 0 GBADLO C[C@@H]1C(=O)NCCCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000569139829 530504692 /nfs/dbraw/zinc/50/46/92/530504692.db2.gz WZAYKZBQDRDFCP-LLVKDONJSA-N 1 2 393.491 -0.528 20 0 GBADLO C[C@H]1C(=O)NCCCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000569139830 530504783 /nfs/dbraw/zinc/50/47/83/530504783.db2.gz WZAYKZBQDRDFCP-NSHDSACASA-N 1 2 393.491 -0.528 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(N2CCn3c[nH+]cc3C2)c(S(N)(=O)=O)c1 ZINC000569163810 530504842 /nfs/dbraw/zinc/50/48/42/530504842.db2.gz OUOCOZOLORZTFO-UHFFFAOYSA-N 1 2 385.471 -0.199 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000569242093 530504818 /nfs/dbraw/zinc/50/48/18/530504818.db2.gz KMWFYSOIEXZSOK-AWEZNQCLSA-N 1 2 388.515 -0.331 20 0 GBADLO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000569242100 530504794 /nfs/dbraw/zinc/50/47/94/530504794.db2.gz KMWFYSOIEXZSOK-CQSZACIVSA-N 1 2 388.515 -0.331 20 0 GBADLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000569280366 530504834 /nfs/dbraw/zinc/50/48/34/530504834.db2.gz CDRPRKHMSNFUIX-UHFFFAOYSA-N 1 2 389.499 -0.442 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000569338164 530089790 /nfs/dbraw/zinc/08/97/90/530089790.db2.gz FOGLBUNRCFMYFU-UHFFFAOYSA-N 1 2 392.840 -0.695 20 0 GBADLO COCCOCCNC(=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000569349838 530095519 /nfs/dbraw/zinc/09/55/19/530095519.db2.gz OTBKMJDZKMFUHT-INIZCTEOSA-N 1 2 375.491 -0.910 20 0 GBADLO COCCOCCNC(=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000569349839 530095783 /nfs/dbraw/zinc/09/57/83/530095783.db2.gz OTBKMJDZKMFUHT-MRXNPFEDSA-N 1 2 375.491 -0.910 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCCS(=O)(=O)N2CCn3nccc32)CC1 ZINC000569355191 530096486 /nfs/dbraw/zinc/09/64/86/530096486.db2.gz ATNXODCHWMCPAI-UHFFFAOYSA-N 1 2 391.519 -0.610 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000569509648 530099785 /nfs/dbraw/zinc/09/97/85/530099785.db2.gz ZJTFVIJQUVNSHI-NEPJUHHUSA-N 1 2 377.488 -0.776 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000569509649 530099743 /nfs/dbraw/zinc/09/97/43/530099743.db2.gz ZJTFVIJQUVNSHI-NWDGAFQWSA-N 1 2 377.488 -0.776 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000569509650 530099774 /nfs/dbraw/zinc/09/97/74/530099774.db2.gz ZJTFVIJQUVNSHI-RYUDHWBXSA-N 1 2 377.488 -0.776 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000569509651 530099720 /nfs/dbraw/zinc/09/97/20/530099720.db2.gz ZJTFVIJQUVNSHI-VXGBXAGGSA-N 1 2 377.488 -0.776 20 0 GBADLO CCC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000569591810 530100405 /nfs/dbraw/zinc/10/04/05/530100405.db2.gz OIWQWQMZUXAGEG-UHFFFAOYSA-N 1 2 379.464 -0.617 20 0 GBADLO CN([C@H]1CCN(C)C1=O)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000569592103 530100643 /nfs/dbraw/zinc/10/06/43/530100643.db2.gz SIRIZVKXKKGLAI-JTQLQIEISA-N 1 2 379.464 -0.966 20 0 GBADLO CN([C@@H]1CCN(C)C1=O)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000569592106 530100439 /nfs/dbraw/zinc/10/04/39/530100439.db2.gz SIRIZVKXKKGLAI-SNVBAGLBSA-N 1 2 379.464 -0.966 20 0 GBADLO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000569617144 1072384112 /nfs/dbraw/zinc/38/41/12/1072384112.db2.gz WXOUQMLTDVSQGV-UHFFFAOYSA-N 1 2 378.477 -0.598 20 0 GBADLO C[C@@]1(C(N)=O)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000569708007 530118103 /nfs/dbraw/zinc/11/81/03/530118103.db2.gz FVODDRIASDREJT-GFCCVEGCSA-N 1 2 379.464 -0.931 20 0 GBADLO C[C@]1(C(N)=O)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000569708008 530117986 /nfs/dbraw/zinc/11/79/86/530117986.db2.gz FVODDRIASDREJT-LBPRGKRZSA-N 1 2 379.464 -0.931 20 0 GBADLO Cc1nnsc1CNS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000569708193 530118284 /nfs/dbraw/zinc/11/82/84/530118284.db2.gz JMZQBWDEHGEQTC-UHFFFAOYSA-N 1 2 380.477 -0.179 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCCS1(=O)=O ZINC000569861960 1072810678 /nfs/dbraw/zinc/81/06/78/1072810678.db2.gz XDDKBPWBDWNMPT-CQSZACIVSA-N 1 2 385.490 -0.365 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCN1CCCS1(=O)=O ZINC000569861960 1072810671 /nfs/dbraw/zinc/81/06/71/1072810671.db2.gz XDDKBPWBDWNMPT-CQSZACIVSA-N 1 2 385.490 -0.365 20 0 GBADLO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000569948017 1072816537 /nfs/dbraw/zinc/81/65/37/1072816537.db2.gz IZVGBGSYXGFFID-UONOGXRCSA-N 1 2 384.477 -0.497 20 0 GBADLO CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000569948017 1072816532 /nfs/dbraw/zinc/81/65/32/1072816532.db2.gz IZVGBGSYXGFFID-UONOGXRCSA-N 1 2 384.477 -0.497 20 0 GBADLO C[C@]1(C(N)=O)CC[N@@H+](CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000570106275 1072836749 /nfs/dbraw/zinc/83/67/49/1072836749.db2.gz ZPKKXKKYYBPCLW-CPUCHLNUSA-N 1 2 387.502 -0.622 20 0 GBADLO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000570106275 1072836736 /nfs/dbraw/zinc/83/67/36/1072836736.db2.gz ZPKKXKKYYBPCLW-CPUCHLNUSA-N 1 2 387.502 -0.622 20 0 GBADLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000570112280 530120351 /nfs/dbraw/zinc/12/03/51/530120351.db2.gz GBKIZVDZRWAXEL-HIFRSBDPSA-N 1 2 375.491 -0.305 20 0 GBADLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000570112280 530120349 /nfs/dbraw/zinc/12/03/49/530120349.db2.gz GBKIZVDZRWAXEL-HIFRSBDPSA-N 1 2 375.491 -0.305 20 0 GBADLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000570112281 530120110 /nfs/dbraw/zinc/12/01/10/530120110.db2.gz GBKIZVDZRWAXEL-UKRRQHHQSA-N 1 2 375.491 -0.305 20 0 GBADLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000570112281 530120109 /nfs/dbraw/zinc/12/01/09/530120109.db2.gz GBKIZVDZRWAXEL-UKRRQHHQSA-N 1 2 375.491 -0.305 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@H](C)C1=O ZINC000570226058 530120887 /nfs/dbraw/zinc/12/08/87/530120887.db2.gz GXCUYCREQVXOTC-LLVKDONJSA-N 1 2 393.491 -0.576 20 0 GBADLO CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@@H](C)C1=O ZINC000570226062 530120974 /nfs/dbraw/zinc/12/09/74/530120974.db2.gz GXCUYCREQVXOTC-NSHDSACASA-N 1 2 393.491 -0.576 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCC[C@@H]3F)CC2)CC1 ZINC000570255841 530121105 /nfs/dbraw/zinc/12/11/05/530121105.db2.gz JDEWXCCYOCXSGJ-UONOGXRCSA-N 1 2 377.486 -0.304 20 0 GBADLO O=C(C1CC1)N1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000570294857 530121244 /nfs/dbraw/zinc/12/12/44/530121244.db2.gz WGPKTRKNTVFULZ-UHFFFAOYSA-N 1 2 391.475 -0.617 20 0 GBADLO Cn1cc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c(=O)n(C)c1=O ZINC000570426268 1072880084 /nfs/dbraw/zinc/88/00/84/1072880084.db2.gz KHMLKGMCWWNGID-UHFFFAOYSA-N 1 2 375.410 -0.252 20 0 GBADLO CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000570582968 530123282 /nfs/dbraw/zinc/12/32/82/530123282.db2.gz PRFUMXZNLAOQQN-UHFFFAOYSA-N 1 2 393.491 -0.575 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@](O)(C(F)F)C1)Nc1c[nH+]c[nH]1 ZINC000570696419 530123132 /nfs/dbraw/zinc/12/31/32/530123132.db2.gz MGZSEUVFLWFOML-LLVKDONJSA-N 1 2 388.418 -0.427 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@@](O)(C(F)F)C1)Nc1c[nH+]c[nH]1 ZINC000570696420 530122961 /nfs/dbraw/zinc/12/29/61/530122961.db2.gz MGZSEUVFLWFOML-NSHDSACASA-N 1 2 388.418 -0.427 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)S(C)(=O)=O ZINC000571115401 530208489 /nfs/dbraw/zinc/20/84/89/530208489.db2.gz VPLSXOBSBALBGR-CHWSQXEVSA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)S(C)(=O)=O ZINC000571115401 530208486 /nfs/dbraw/zinc/20/84/86/530208486.db2.gz VPLSXOBSBALBGR-CHWSQXEVSA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)S(C)(=O)=O ZINC000571115402 530208472 /nfs/dbraw/zinc/20/84/72/530208472.db2.gz VPLSXOBSBALBGR-OLZOCXBDSA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)S(C)(=O)=O ZINC000571115402 530208470 /nfs/dbraw/zinc/20/84/70/530208470.db2.gz VPLSXOBSBALBGR-OLZOCXBDSA-N 1 2 375.491 -0.753 20 0 GBADLO CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000571225823 530208968 /nfs/dbraw/zinc/20/89/68/530208968.db2.gz CKRGKMXOQHYFJM-LLVKDONJSA-N 1 2 393.491 -0.576 20 0 GBADLO CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000571225825 530208760 /nfs/dbraw/zinc/20/87/60/530208760.db2.gz CKRGKMXOQHYFJM-NSHDSACASA-N 1 2 393.491 -0.576 20 0 GBADLO O=C1NCCCC[C@H]1NS(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000571296973 530209489 /nfs/dbraw/zinc/20/94/89/530209489.db2.gz DZNDPXYRQVCHDQ-LLVKDONJSA-N 1 2 393.491 -0.480 20 0 GBADLO O=C1NCCCC[C@@H]1NS(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000571296974 530209393 /nfs/dbraw/zinc/20/93/93/530209393.db2.gz DZNDPXYRQVCHDQ-NSHDSACASA-N 1 2 393.491 -0.480 20 0 GBADLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000571402941 530210598 /nfs/dbraw/zinc/21/05/98/530210598.db2.gz NIKZHZKJQNHWSL-AWEZNQCLSA-N 1 2 379.479 -0.072 20 0 GBADLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000571402942 530210519 /nfs/dbraw/zinc/21/05/19/530210519.db2.gz NIKZHZKJQNHWSL-CQSZACIVSA-N 1 2 379.479 -0.072 20 0 GBADLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000571403451 530210508 /nfs/dbraw/zinc/21/05/08/530210508.db2.gz KDOMIWISKFAJDB-CYBMUJFWSA-N 1 2 385.471 -0.597 20 0 GBADLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000571403456 530210552 /nfs/dbraw/zinc/21/05/52/530210552.db2.gz KDOMIWISKFAJDB-ZDUSSCGKSA-N 1 2 385.471 -0.597 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H]1CO ZINC000571701747 530351405 /nfs/dbraw/zinc/35/14/05/530351405.db2.gz UOSWJUBJXLUCNG-NEPJUHHUSA-N 1 2 380.492 -0.178 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000571744843 530351640 /nfs/dbraw/zinc/35/16/40/530351640.db2.gz FZZYNOGLAYWJMO-UHFFFAOYSA-N 1 2 377.488 -0.277 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](C)C[N@H+]1CCO ZINC000571745006 530351513 /nfs/dbraw/zinc/35/15/13/530351513.db2.gz NNHSHAGJVOULAX-NEPJUHHUSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000571745006 530351510 /nfs/dbraw/zinc/35/15/10/530351510.db2.gz NNHSHAGJVOULAX-NEPJUHHUSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000571745008 530351506 /nfs/dbraw/zinc/35/15/06/530351506.db2.gz NNHSHAGJVOULAX-NWDGAFQWSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000571745008 530351503 /nfs/dbraw/zinc/35/15/03/530351503.db2.gz NNHSHAGJVOULAX-NWDGAFQWSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000571745009 530351493 /nfs/dbraw/zinc/35/14/93/530351493.db2.gz NNHSHAGJVOULAX-RYUDHWBXSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000571745009 530351490 /nfs/dbraw/zinc/35/14/90/530351490.db2.gz NNHSHAGJVOULAX-RYUDHWBXSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000571745010 530351671 /nfs/dbraw/zinc/35/16/71/530351671.db2.gz NNHSHAGJVOULAX-VXGBXAGGSA-N 1 2 377.488 -0.590 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000571745010 530351669 /nfs/dbraw/zinc/35/16/69/530351669.db2.gz NNHSHAGJVOULAX-VXGBXAGGSA-N 1 2 377.488 -0.590 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)s1 ZINC000571830574 530351520 /nfs/dbraw/zinc/35/15/20/530351520.db2.gz UWUZFHKWSMFGLD-GFCCVEGCSA-N 1 2 389.499 -0.041 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)s1 ZINC000571830575 530351793 /nfs/dbraw/zinc/35/17/93/530351793.db2.gz UWUZFHKWSMFGLD-LBPRGKRZSA-N 1 2 389.499 -0.041 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCn3nccc32)CC1 ZINC000572015012 530351946 /nfs/dbraw/zinc/35/19/46/530351946.db2.gz HIXQASHYFPEQNF-UHFFFAOYSA-N 1 2 377.492 -1.000 20 0 GBADLO C[C@H]1CC[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000572059730 530352114 /nfs/dbraw/zinc/35/21/14/530352114.db2.gz NXLYCROIENDVAP-KPWVOAKYSA-N 1 2 398.532 -0.286 20 0 GBADLO C[C@@H]1CC[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000572059731 530352188 /nfs/dbraw/zinc/35/21/88/530352188.db2.gz NXLYCROIENDVAP-RKFFSXRUSA-N 1 2 398.532 -0.286 20 0 GBADLO C[C@H]1CC[S@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000572059732 530352057 /nfs/dbraw/zinc/35/20/57/530352057.db2.gz NXLYCROIENDVAP-SAHAZLINSA-N 1 2 398.532 -0.286 20 0 GBADLO C[C@@H]1CC[S@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000572059733 530352180 /nfs/dbraw/zinc/35/21/80/530352180.db2.gz NXLYCROIENDVAP-XFNZEKPQSA-N 1 2 398.532 -0.286 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1CC(O)(C(F)F)C1)Nc1c[nH+]c[nH]1 ZINC000572135115 530352361 /nfs/dbraw/zinc/35/23/61/530352361.db2.gz OTLLCSCJWOYSDO-UHFFFAOYSA-N 1 2 388.418 -0.427 20 0 GBADLO C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000572216407 530352332 /nfs/dbraw/zinc/35/23/32/530352332.db2.gz BOVDXFHOZAPHRU-KBPBESRZSA-N 1 2 397.563 -0.313 20 0 GBADLO C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000572216408 530352307 /nfs/dbraw/zinc/35/23/07/530352307.db2.gz BOVDXFHOZAPHRU-KGLIPLIRSA-N 1 2 397.563 -0.313 20 0 GBADLO C[C@H]([C@H](C)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000572216409 530352453 /nfs/dbraw/zinc/35/24/53/530352453.db2.gz BOVDXFHOZAPHRU-UONOGXRCSA-N 1 2 397.563 -0.313 20 0 GBADLO C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000572216410 530352316 /nfs/dbraw/zinc/35/23/16/530352316.db2.gz BOVDXFHOZAPHRU-ZIAGYGMSSA-N 1 2 397.563 -0.313 20 0 GBADLO Cc1ccc2[nH+]c(CNS(=O)(=O)N3CCN(S(C)(=O)=O)CC3)cn2c1 ZINC000572296748 530352806 /nfs/dbraw/zinc/35/28/06/530352806.db2.gz RZMAWCLXKVWMRZ-UHFFFAOYSA-N 1 2 387.487 -0.446 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000572378623 530353536 /nfs/dbraw/zinc/35/35/36/530353536.db2.gz LMQIHGFSVOLEAQ-UHFFFAOYSA-N 1 2 391.515 -0.328 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000572441842 530354933 /nfs/dbraw/zinc/35/49/33/530354933.db2.gz ZVMLPOPKAHRDRU-ZDUSSCGKSA-N 1 2 389.499 -0.181 20 0 GBADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 ZINC000572542834 530492921 /nfs/dbraw/zinc/49/29/21/530492921.db2.gz OHWCOMMHUHLOTG-VXGBXAGGSA-N 1 2 388.427 -0.752 20 0 GBADLO COc1cc(OC)cc(N2CC[C@@H](NC(=O)CN3CC[NH2+]CC3=O)C2=O)c1 ZINC000572637886 1072840616 /nfs/dbraw/zinc/84/06/16/1072840616.db2.gz AVZOVVFCFAOLIC-OAHLLOKOSA-N 1 2 376.413 -0.643 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC(=O)N1C ZINC000572781088 530505060 /nfs/dbraw/zinc/50/50/60/530505060.db2.gz AXXJORBBFRMCCH-LLVKDONJSA-N 1 2 393.491 -0.576 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC(=O)N1C ZINC000572781089 530505295 /nfs/dbraw/zinc/50/52/95/530505295.db2.gz AXXJORBBFRMCCH-NSHDSACASA-N 1 2 393.491 -0.576 20 0 GBADLO CCN1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000572900351 530505470 /nfs/dbraw/zinc/50/54/70/530505470.db2.gz AFCQLAMCVKFKRU-JTQLQIEISA-N 1 2 379.464 -0.918 20 0 GBADLO CCN1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000572900352 530505534 /nfs/dbraw/zinc/50/55/34/530505534.db2.gz AFCQLAMCVKFKRU-SNVBAGLBSA-N 1 2 379.464 -0.918 20 0 GBADLO O=C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CN1C1CC1 ZINC000573020143 530505713 /nfs/dbraw/zinc/50/57/13/530505713.db2.gz ANHLBYOULUFPKW-UHFFFAOYSA-N 1 2 377.448 -0.865 20 0 GBADLO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC000573116305 530505925 /nfs/dbraw/zinc/50/59/25/530505925.db2.gz CHIGWNNRAKRLAM-CYBMUJFWSA-N 1 2 375.491 -0.751 20 0 GBADLO CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC000573116306 530506182 /nfs/dbraw/zinc/50/61/82/530506182.db2.gz CHIGWNNRAKRLAM-ZDUSSCGKSA-N 1 2 375.491 -0.751 20 0 GBADLO CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000573506780 530506866 /nfs/dbraw/zinc/50/68/66/530506866.db2.gz PNPKCPIUACWQTC-LLVKDONJSA-N 1 2 393.491 -0.576 20 0 GBADLO CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000573506784 530506757 /nfs/dbraw/zinc/50/67/57/530506757.db2.gz PNPKCPIUACWQTC-NSHDSACASA-N 1 2 393.491 -0.576 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)S(C)(=O)=O ZINC000573591501 530507103 /nfs/dbraw/zinc/50/71/03/530507103.db2.gz VPLSXOBSBALBGR-QWHCGFSZSA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)S(C)(=O)=O ZINC000573591501 530507102 /nfs/dbraw/zinc/50/71/02/530507102.db2.gz VPLSXOBSBALBGR-QWHCGFSZSA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)S(C)(=O)=O ZINC000573591502 530506964 /nfs/dbraw/zinc/50/69/64/530506964.db2.gz VPLSXOBSBALBGR-STQMWFEESA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)S(C)(=O)=O ZINC000573591502 530506963 /nfs/dbraw/zinc/50/69/63/530506963.db2.gz VPLSXOBSBALBGR-STQMWFEESA-N 1 2 375.491 -0.753 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1C[C@@H](O)C2(CC2)C1)Nc1c[nH+]c[nH]1 ZINC000573624508 530506824 /nfs/dbraw/zinc/50/68/24/530506824.db2.gz NBZWDSFTRWICHS-LLVKDONJSA-N 1 2 378.476 -0.282 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1C[C@H](O)C2(CC2)C1)Nc1c[nH+]c[nH]1 ZINC000573624514 530506954 /nfs/dbraw/zinc/50/69/54/530506954.db2.gz NBZWDSFTRWICHS-NSHDSACASA-N 1 2 378.476 -0.282 20 0 GBADLO C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000573625035 530507095 /nfs/dbraw/zinc/50/70/95/530507095.db2.gz WARSGSPJOGXWFK-CMPLNLGQSA-N 1 2 382.464 -0.999 20 0 GBADLO C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000573625036 530506932 /nfs/dbraw/zinc/50/69/32/530506932.db2.gz WARSGSPJOGXWFK-JQWIXIFHSA-N 1 2 382.464 -0.999 20 0 GBADLO C[C@H]1OCC[C@]1(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000573625037 530507073 /nfs/dbraw/zinc/50/70/73/530507073.db2.gz WARSGSPJOGXWFK-PWSUYJOCSA-N 1 2 382.464 -0.999 20 0 GBADLO C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000573625038 530507022 /nfs/dbraw/zinc/50/70/22/530507022.db2.gz WARSGSPJOGXWFK-ZYHUDNBSSA-N 1 2 382.464 -0.999 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCOCC(F)(F)C1)Nc1c[nH+]c[nH]1 ZINC000573698556 530506800 /nfs/dbraw/zinc/50/68/00/530506800.db2.gz BGYPKPOLELLOPX-UHFFFAOYSA-N 1 2 388.418 -0.161 20 0 GBADLO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000573843453 530507367 /nfs/dbraw/zinc/50/73/67/530507367.db2.gz OXSZFRREAWZOOF-LKFCYVNXSA-N 1 2 375.397 -0.274 20 0 GBADLO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000573843455 530507295 /nfs/dbraw/zinc/50/72/95/530507295.db2.gz OXSZFRREAWZOOF-OTYXRUKQSA-N 1 2 375.397 -0.274 20 0 GBADLO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000573843457 530507352 /nfs/dbraw/zinc/50/73/52/530507352.db2.gz OXSZFRREAWZOOF-XPTSAGLGSA-N 1 2 375.397 -0.274 20 0 GBADLO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000573843458 530507331 /nfs/dbraw/zinc/50/73/31/530507331.db2.gz OXSZFRREAWZOOF-YMTOWFKASA-N 1 2 375.397 -0.274 20 0 GBADLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)N1CCS(=O)(=O)CC1)C2 ZINC000573947476 530507460 /nfs/dbraw/zinc/50/74/60/530507460.db2.gz DFIOOJGLCVMWPN-UHFFFAOYSA-N 1 2 376.504 -0.123 20 0 GBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(F)(F)F ZINC000574227988 530507770 /nfs/dbraw/zinc/50/77/70/530507770.db2.gz DYMNRUFSVSRNCQ-GHMZBOCLSA-N 1 2 389.444 -0.646 20 0 GBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(F)(F)F ZINC000574227988 530507769 /nfs/dbraw/zinc/50/77/69/530507769.db2.gz DYMNRUFSVSRNCQ-GHMZBOCLSA-N 1 2 389.444 -0.646 20 0 GBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(F)(F)F ZINC000574227989 530507646 /nfs/dbraw/zinc/50/76/46/530507646.db2.gz DYMNRUFSVSRNCQ-MNOVXSKESA-N 1 2 389.444 -0.646 20 0 GBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(F)(F)F ZINC000574227989 530507643 /nfs/dbraw/zinc/50/76/43/530507643.db2.gz DYMNRUFSVSRNCQ-MNOVXSKESA-N 1 2 389.444 -0.646 20 0 GBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(F)(F)F ZINC000574227990 530507720 /nfs/dbraw/zinc/50/77/20/530507720.db2.gz DYMNRUFSVSRNCQ-QWRGUYRKSA-N 1 2 389.444 -0.646 20 0 GBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(F)(F)F ZINC000574227990 530507717 /nfs/dbraw/zinc/50/77/17/530507717.db2.gz DYMNRUFSVSRNCQ-QWRGUYRKSA-N 1 2 389.444 -0.646 20 0 GBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(F)(F)F ZINC000574227991 530507817 /nfs/dbraw/zinc/50/78/17/530507817.db2.gz DYMNRUFSVSRNCQ-WDEREUQCSA-N 1 2 389.444 -0.646 20 0 GBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(F)(F)F ZINC000574227991 530507815 /nfs/dbraw/zinc/50/78/15/530507815.db2.gz DYMNRUFSVSRNCQ-WDEREUQCSA-N 1 2 389.444 -0.646 20 0 GBADLO CC(C)N1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000574339965 530508225 /nfs/dbraw/zinc/50/82/25/530508225.db2.gz PFIGYPUFCOJMDT-LLVKDONJSA-N 1 2 393.491 -0.530 20 0 GBADLO CC(C)N1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000574339966 530508074 /nfs/dbraw/zinc/50/80/74/530508074.db2.gz PFIGYPUFCOJMDT-NSHDSACASA-N 1 2 393.491 -0.530 20 0 GBADLO Cn1cnc(S(=O)(=O)NCC(=O)NCC2CC[NH+](CC(F)F)CC2)c1 ZINC000574437954 530508265 /nfs/dbraw/zinc/50/82/65/530508265.db2.gz CTAHCKHMMTWZMH-UHFFFAOYSA-N 1 2 379.433 -0.208 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC2(C1)CCOCC2)Nc1c[nH+]c[nH]1 ZINC000574704547 530508488 /nfs/dbraw/zinc/50/84/88/530508488.db2.gz XDTMXFIUKBMDSZ-UHFFFAOYSA-N 1 2 378.476 -0.016 20 0 GBADLO CNS(=O)(=O)NCC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000574717291 530508768 /nfs/dbraw/zinc/50/87/68/530508768.db2.gz MUERFXMVJMIRHH-GFCCVEGCSA-N 1 2 375.520 -0.793 20 0 GBADLO CNS(=O)(=O)NCC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000574717296 530508598 /nfs/dbraw/zinc/50/85/98/530508598.db2.gz MUERFXMVJMIRHH-LBPRGKRZSA-N 1 2 375.520 -0.793 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000574948806 530124786 /nfs/dbraw/zinc/12/47/86/530124786.db2.gz SHYWQVOUMHVFND-AWEZNQCLSA-N 1 2 376.523 -0.126 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000574948807 530124676 /nfs/dbraw/zinc/12/46/76/530124676.db2.gz SHYWQVOUMHVFND-CQSZACIVSA-N 1 2 376.523 -0.126 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)cn1 ZINC000575238976 530509398 /nfs/dbraw/zinc/50/93/98/530509398.db2.gz RXPBJFJCUFEKHP-UHFFFAOYSA-N 1 2 390.531 -0.011 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCOCC2(CC2)C1)Nc1c[nH+]c[nH]1 ZINC000575761926 530509234 /nfs/dbraw/zinc/50/92/34/530509234.db2.gz HTPPYWGKKQBTEI-UHFFFAOYSA-N 1 2 378.476 -0.016 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000575763607 530509489 /nfs/dbraw/zinc/50/94/89/530509489.db2.gz WUDUHFGZYIACEJ-CYBMUJFWSA-N 1 2 376.500 -0.082 20 0 GBADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000575763607 530509487 /nfs/dbraw/zinc/50/94/87/530509487.db2.gz WUDUHFGZYIACEJ-CYBMUJFWSA-N 1 2 376.500 -0.082 20 0 GBADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000575763610 530509285 /nfs/dbraw/zinc/50/92/85/530509285.db2.gz WUDUHFGZYIACEJ-ZDUSSCGKSA-N 1 2 376.500 -0.082 20 0 GBADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000575763610 530509283 /nfs/dbraw/zinc/50/92/83/530509283.db2.gz WUDUHFGZYIACEJ-ZDUSSCGKSA-N 1 2 376.500 -0.082 20 0 GBADLO COCCOC[C@@H](O)C[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000575872215 1073866870 /nfs/dbraw/zinc/86/68/70/1073866870.db2.gz IOBWJQUTFGWJNA-KRWDZBQOSA-N 1 2 387.502 -0.338 20 0 GBADLO COCCOC[C@H](O)C[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000575872216 1073867105 /nfs/dbraw/zinc/86/71/05/1073867105.db2.gz IOBWJQUTFGWJNA-QGZVFWFLSA-N 1 2 387.502 -0.338 20 0 GBADLO CC(C)(CNC(=O)CN(CCNS(C)(=O)=O)C1CC1)[NH+]1CCOCC1 ZINC000576049012 530510317 /nfs/dbraw/zinc/51/03/17/530510317.db2.gz BMCUUUZPBWPNHA-UHFFFAOYSA-N 1 2 376.523 -0.773 20 0 GBADLO CCN1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1=O ZINC000576292279 530510531 /nfs/dbraw/zinc/51/05/31/530510531.db2.gz JQWUQIQYUFQZQU-UHFFFAOYSA-N 1 2 379.464 -0.617 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(NC(=O)COC)c2)CC1 ZINC000576415474 1073930342 /nfs/dbraw/zinc/93/03/42/1073930342.db2.gz CSHWGKINSPYUAF-UHFFFAOYSA-N 1 2 392.456 -0.322 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000576648519 530511093 /nfs/dbraw/zinc/51/10/93/530511093.db2.gz PPZKOROCJITGND-ZJUUUORDSA-N 1 2 379.464 -0.885 20 0 GBADLO CNS(=O)(=O)NCC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000576671765 530511135 /nfs/dbraw/zinc/51/11/35/530511135.db2.gz LPWSHPZRBLJGOT-UHFFFAOYSA-N 1 2 381.380 -0.197 20 0 GBADLO CO[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@@H]1OC ZINC000576718286 530511248 /nfs/dbraw/zinc/51/12/48/530511248.db2.gz ZTRUIGIZKGHYAM-PHIMTYICSA-N 1 2 382.464 -0.783 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)onc1N ZINC000576744415 530178838 /nfs/dbraw/zinc/17/88/38/530178838.db2.gz KBNWFCHCNZHLHZ-GFCCVEGCSA-N 1 2 394.519 0.085 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)onc1N ZINC000576744418 530179099 /nfs/dbraw/zinc/17/90/99/530179099.db2.gz KBNWFCHCNZHLHZ-LBPRGKRZSA-N 1 2 394.519 0.085 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000576953778 1072189638 /nfs/dbraw/zinc/18/96/38/1072189638.db2.gz NULIHYNNWUQHJK-OAFZBRQQSA-N 1 2 381.473 -0.428 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000576953779 1072189696 /nfs/dbraw/zinc/18/96/96/1072189696.db2.gz NULIHYNNWUQHJK-PASDCYSWSA-N 1 2 381.473 -0.428 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000576953780 1072189354 /nfs/dbraw/zinc/18/93/54/1072189354.db2.gz NULIHYNNWUQHJK-YKTARERQSA-N 1 2 381.473 -0.428 20 0 GBADLO C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1)c1cnn(C)c1 ZINC000577004343 530511350 /nfs/dbraw/zinc/51/13/50/530511350.db2.gz FWSNSETUMIRZBJ-JTQLQIEISA-N 1 2 376.464 -0.044 20 0 GBADLO C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1)c1cnn(C)c1 ZINC000577004344 530511531 /nfs/dbraw/zinc/51/15/31/530511531.db2.gz FWSNSETUMIRZBJ-SNVBAGLBSA-N 1 2 376.464 -0.044 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000577139975 530512073 /nfs/dbraw/zinc/51/20/73/530512073.db2.gz NNRQSEXKVZKQNY-KBPBESRZSA-N 1 2 377.511 -0.723 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000577139975 530512070 /nfs/dbraw/zinc/51/20/70/530512070.db2.gz NNRQSEXKVZKQNY-KBPBESRZSA-N 1 2 377.511 -0.723 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000577139976 530511786 /nfs/dbraw/zinc/51/17/86/530511786.db2.gz NNRQSEXKVZKQNY-KGLIPLIRSA-N 1 2 377.511 -0.723 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000577139976 530511783 /nfs/dbraw/zinc/51/17/83/530511783.db2.gz NNRQSEXKVZKQNY-KGLIPLIRSA-N 1 2 377.511 -0.723 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000577139977 530511767 /nfs/dbraw/zinc/51/17/67/530511767.db2.gz NNRQSEXKVZKQNY-UONOGXRCSA-N 1 2 377.511 -0.723 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000577139977 530511765 /nfs/dbraw/zinc/51/17/65/530511765.db2.gz NNRQSEXKVZKQNY-UONOGXRCSA-N 1 2 377.511 -0.723 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000577139978 530512005 /nfs/dbraw/zinc/51/20/05/530512005.db2.gz NNRQSEXKVZKQNY-ZIAGYGMSSA-N 1 2 377.511 -0.723 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000577139978 530512003 /nfs/dbraw/zinc/51/20/03/530512003.db2.gz NNRQSEXKVZKQNY-ZIAGYGMSSA-N 1 2 377.511 -0.723 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577231523 530512393 /nfs/dbraw/zinc/51/23/93/530512393.db2.gz LFKWYCAXOYJXHE-AVGNSLFASA-N 1 2 392.503 -0.036 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577231524 530512382 /nfs/dbraw/zinc/51/23/82/530512382.db2.gz LFKWYCAXOYJXHE-RWMBFGLXSA-N 1 2 392.503 -0.036 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577231525 530512419 /nfs/dbraw/zinc/51/24/19/530512419.db2.gz LFKWYCAXOYJXHE-XQQFMLRXSA-N 1 2 392.503 -0.036 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577231526 530512327 /nfs/dbraw/zinc/51/23/27/530512327.db2.gz LFKWYCAXOYJXHE-YNEHKIRRSA-N 1 2 392.503 -0.036 20 0 GBADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000577328189 530512315 /nfs/dbraw/zinc/51/23/15/530512315.db2.gz VSCPCHSACWQLMX-BZUAXINKSA-N 1 2 378.539 -0.729 20 0 GBADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000577328189 530512314 /nfs/dbraw/zinc/51/23/14/530512314.db2.gz VSCPCHSACWQLMX-BZUAXINKSA-N 1 2 378.539 -0.729 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000577328190 530512225 /nfs/dbraw/zinc/51/22/25/530512225.db2.gz VSCPCHSACWQLMX-OAGGEKHMSA-N 1 2 378.539 -0.729 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000577328190 530512222 /nfs/dbraw/zinc/51/22/22/530512222.db2.gz VSCPCHSACWQLMX-OAGGEKHMSA-N 1 2 378.539 -0.729 20 0 GBADLO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000577328191 530512236 /nfs/dbraw/zinc/51/22/36/530512236.db2.gz VSCPCHSACWQLMX-OWCLPIDISA-N 1 2 378.539 -0.729 20 0 GBADLO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000577328191 530512234 /nfs/dbraw/zinc/51/22/34/530512234.db2.gz VSCPCHSACWQLMX-OWCLPIDISA-N 1 2 378.539 -0.729 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000577328192 530512529 /nfs/dbraw/zinc/51/25/29/530512529.db2.gz VSCPCHSACWQLMX-XHSDSOJGSA-N 1 2 378.539 -0.729 20 0 GBADLO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000577328192 530512527 /nfs/dbraw/zinc/51/25/27/530512527.db2.gz VSCPCHSACWQLMX-XHSDSOJGSA-N 1 2 378.539 -0.729 20 0 GBADLO CC(=O)NC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000577389352 530512357 /nfs/dbraw/zinc/51/23/57/530512357.db2.gz ZOKZNKGHYMBDIH-UHFFFAOYSA-N 1 2 379.464 -0.918 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577530740 530512670 /nfs/dbraw/zinc/51/26/70/530512670.db2.gz NOLJLPHLDQKTFP-QJPTWQEYSA-N 1 2 378.476 -0.426 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577530741 530512676 /nfs/dbraw/zinc/51/26/76/530512676.db2.gz NOLJLPHLDQKTFP-SDDRHHMPSA-N 1 2 378.476 -0.426 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577530742 530512796 /nfs/dbraw/zinc/51/27/96/530512796.db2.gz NOLJLPHLDQKTFP-SRVKXCTJSA-N 1 2 378.476 -0.426 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1c[nH+]c[nH]1 ZINC000577530743 530512655 /nfs/dbraw/zinc/51/26/55/530512655.db2.gz NOLJLPHLDQKTFP-TUAOUCFPSA-N 1 2 378.476 -0.426 20 0 GBADLO CCc1n[nH]c(C(=O)NCC(=O)NCC[NH+]2CCOCC2)c1Br ZINC000577694862 530072598 /nfs/dbraw/zinc/07/25/98/530072598.db2.gz ZCXIJARZOIZGPN-UHFFFAOYSA-N 1 2 388.266 -0.087 20 0 GBADLO CN(C)C(=O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000577866813 530072837 /nfs/dbraw/zinc/07/28/37/530072837.db2.gz FFCPLCXJWOPIDV-LLVKDONJSA-N 1 2 393.491 -0.719 20 0 GBADLO CN(C)C(=O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000577866814 530072697 /nfs/dbraw/zinc/07/26/97/530072697.db2.gz FFCPLCXJWOPIDV-NSHDSACASA-N 1 2 393.491 -0.719 20 0 GBADLO CC[N@@H+](C)C[C@@H](O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000577883833 530072991 /nfs/dbraw/zinc/07/29/91/530072991.db2.gz UBSROBSPWHMGBP-GFCCVEGCSA-N 1 2 376.445 -0.250 20 0 GBADLO CC[N@H+](C)C[C@@H](O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000577883833 530072990 /nfs/dbraw/zinc/07/29/90/530072990.db2.gz UBSROBSPWHMGBP-GFCCVEGCSA-N 1 2 376.445 -0.250 20 0 GBADLO CC[N@@H+](C)C[C@H](O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000577883834 530073035 /nfs/dbraw/zinc/07/30/35/530073035.db2.gz UBSROBSPWHMGBP-LBPRGKRZSA-N 1 2 376.445 -0.250 20 0 GBADLO CC[N@H+](C)C[C@H](O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000577883834 530073033 /nfs/dbraw/zinc/07/30/33/530073033.db2.gz UBSROBSPWHMGBP-LBPRGKRZSA-N 1 2 376.445 -0.250 20 0 GBADLO CC[NH+](CC)CCS(=O)(=O)NC1(CC(=O)OC)CCS(=O)(=O)CC1 ZINC000577920972 530072860 /nfs/dbraw/zinc/07/28/60/530072860.db2.gz KZZWWKNPWWRWAX-UHFFFAOYSA-N 1 2 384.520 -0.242 20 0 GBADLO O=C(CNS(=O)(=O)Cc1ccc(F)cc1F)NCC[NH+]1CCOCC1 ZINC000578045742 530090069 /nfs/dbraw/zinc/09/00/69/530090069.db2.gz DOSFXOQOTSGRNP-UHFFFAOYSA-N 1 2 377.413 -0.167 20 0 GBADLO COCCOCCN1C(=O)C[C@H]([N@H+]2CCCC[C@H](S(C)(=O)=O)C2)C1=O ZINC000578080594 530099149 /nfs/dbraw/zinc/09/91/49/530099149.db2.gz JXLGOLROXJEXRI-KBPBESRZSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCOCCN1C(=O)C[C@H]([N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)C1=O ZINC000578080594 530099147 /nfs/dbraw/zinc/09/91/47/530099147.db2.gz JXLGOLROXJEXRI-KBPBESRZSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCOCCN1C(=O)C[C@H]([N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000578080595 530099478 /nfs/dbraw/zinc/09/94/78/530099478.db2.gz JXLGOLROXJEXRI-KGLIPLIRSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCOCCN1C(=O)C[C@H]([N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000578080595 530099475 /nfs/dbraw/zinc/09/94/75/530099475.db2.gz JXLGOLROXJEXRI-KGLIPLIRSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCOCCN1C(=O)C[C@@H]([N@H+]2CCCC[C@H](S(C)(=O)=O)C2)C1=O ZINC000578080596 530099455 /nfs/dbraw/zinc/09/94/55/530099455.db2.gz JXLGOLROXJEXRI-UONOGXRCSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCOCCN1C(=O)C[C@@H]([N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)C1=O ZINC000578080596 530099454 /nfs/dbraw/zinc/09/94/54/530099454.db2.gz JXLGOLROXJEXRI-UONOGXRCSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCOCCN1C(=O)C[C@@H]([N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000578080597 530099193 /nfs/dbraw/zinc/09/91/93/530099193.db2.gz JXLGOLROXJEXRI-ZIAGYGMSSA-N 1 2 376.475 -0.324 20 0 GBADLO COCCOCCN1C(=O)C[C@@H]([N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)C1=O ZINC000578080597 530099191 /nfs/dbraw/zinc/09/91/91/530099191.db2.gz JXLGOLROXJEXRI-ZIAGYGMSSA-N 1 2 376.475 -0.324 20 0 GBADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1cccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1 ZINC000578083480 530099241 /nfs/dbraw/zinc/09/92/41/530099241.db2.gz ZORJSNCDLJXKTP-VXGBXAGGSA-N 1 2 388.427 -0.752 20 0 GBADLO Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000578119934 530099204 /nfs/dbraw/zinc/09/92/04/530099204.db2.gz XMKHXOYLIIGILG-UHFFFAOYSA-N 1 2 392.503 -0.338 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@@H+](C)C1 ZINC000578225607 530099471 /nfs/dbraw/zinc/09/94/71/530099471.db2.gz BRHRUPWQBPZBEN-LLVKDONJSA-N 1 2 391.471 -0.941 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@H+](C)C1 ZINC000578225607 530099468 /nfs/dbraw/zinc/09/94/68/530099468.db2.gz BRHRUPWQBPZBEN-LLVKDONJSA-N 1 2 391.471 -0.941 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@@H+](C)C1 ZINC000578225608 530099230 /nfs/dbraw/zinc/09/92/30/530099230.db2.gz BRHRUPWQBPZBEN-NSHDSACASA-N 1 2 391.471 -0.941 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@H+](C)C1 ZINC000578225608 530099229 /nfs/dbraw/zinc/09/92/29/530099229.db2.gz BRHRUPWQBPZBEN-NSHDSACASA-N 1 2 391.471 -0.941 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)CC1=O ZINC000578458882 530099742 /nfs/dbraw/zinc/09/97/42/530099742.db2.gz OMQZOBYPOKKWFV-CYBMUJFWSA-N 1 2 377.507 -0.505 20 0 GBADLO COCC[N@H+](C)CCN1C[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)CC1=O ZINC000578458882 530099738 /nfs/dbraw/zinc/09/97/38/530099738.db2.gz OMQZOBYPOKKWFV-CYBMUJFWSA-N 1 2 377.507 -0.505 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)CC1=O ZINC000578458883 530100135 /nfs/dbraw/zinc/10/01/35/530100135.db2.gz OMQZOBYPOKKWFV-ZDUSSCGKSA-N 1 2 377.507 -0.505 20 0 GBADLO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)CC1=O ZINC000578458883 530100133 /nfs/dbraw/zinc/10/01/33/530100133.db2.gz OMQZOBYPOKKWFV-ZDUSSCGKSA-N 1 2 377.507 -0.505 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1c[nH+]c[nH]1 ZINC000578523441 530100206 /nfs/dbraw/zinc/10/02/06/530100206.db2.gz CLTZIWYDQFWBNX-AVGNSLFASA-N 1 2 392.503 -0.036 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1c[nH+]c[nH]1 ZINC000578523442 530100222 /nfs/dbraw/zinc/10/02/22/530100222.db2.gz CLTZIWYDQFWBNX-RWMBFGLXSA-N 1 2 392.503 -0.036 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1c[nH+]c[nH]1 ZINC000578523443 530100096 /nfs/dbraw/zinc/10/00/96/530100096.db2.gz CLTZIWYDQFWBNX-XQQFMLRXSA-N 1 2 392.503 -0.036 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1c[nH+]c[nH]1 ZINC000578523444 530100246 /nfs/dbraw/zinc/10/02/46/530100246.db2.gz CLTZIWYDQFWBNX-YNEHKIRRSA-N 1 2 392.503 -0.036 20 0 GBADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1ccc(S(=O)(=O)N(CCO)CCO)cc1 ZINC000578523764 530100283 /nfs/dbraw/zinc/10/02/83/530100283.db2.gz PIXQBYHBLHYYAC-UHFFFAOYSA-N 1 2 390.443 -0.814 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NC3CC(C)(F)C3)CC2)CC1 ZINC000578598352 530100286 /nfs/dbraw/zinc/10/02/86/530100286.db2.gz RPUWYTPBFYBSDJ-UHFFFAOYSA-N 1 2 377.486 -0.304 20 0 GBADLO NS(=O)(=O)CCC[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000578657224 530100048 /nfs/dbraw/zinc/10/00/48/530100048.db2.gz GDXSYSRYOYNZAY-UHFFFAOYSA-N 1 2 376.504 -0.683 20 0 GBADLO COC(=O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@@H]1C ZINC000578765852 530100455 /nfs/dbraw/zinc/10/04/55/530100455.db2.gz QEFYLGUJEKDHPY-GHMZBOCLSA-N 1 2 394.475 -0.245 20 0 GBADLO COC(=O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@@H]1C ZINC000578765853 530100711 /nfs/dbraw/zinc/10/07/11/530100711.db2.gz QEFYLGUJEKDHPY-MNOVXSKESA-N 1 2 394.475 -0.245 20 0 GBADLO COC(=O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@H]1C ZINC000578765854 530100603 /nfs/dbraw/zinc/10/06/03/530100603.db2.gz QEFYLGUJEKDHPY-QWRGUYRKSA-N 1 2 394.475 -0.245 20 0 GBADLO COC(=O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)[C@H]1C ZINC000578765855 530100701 /nfs/dbraw/zinc/10/07/01/530100701.db2.gz QEFYLGUJEKDHPY-WDEREUQCSA-N 1 2 394.475 -0.245 20 0 GBADLO Cc1nn(C)c(S(=O)(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1C(F)F ZINC000578767467 530100568 /nfs/dbraw/zinc/10/05/68/530100568.db2.gz VTPAMCQRVJSKMB-LLVKDONJSA-N 1 2 382.433 -0.020 20 0 GBADLO Cc1nn(C)c(S(=O)(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1C(F)F ZINC000578767469 530100534 /nfs/dbraw/zinc/10/05/34/530100534.db2.gz VTPAMCQRVJSKMB-NSHDSACASA-N 1 2 382.433 -0.020 20 0 GBADLO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)CC1 ZINC000578923636 530100538 /nfs/dbraw/zinc/10/05/38/530100538.db2.gz HBDSDWKQNIDPNX-GFCCVEGCSA-N 1 2 377.507 -0.459 20 0 GBADLO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)CC1 ZINC000578923638 530100693 /nfs/dbraw/zinc/10/06/93/530100693.db2.gz HBDSDWKQNIDPNX-LBPRGKRZSA-N 1 2 377.507 -0.459 20 0 GBADLO CC1(C)C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000579006049 530101150 /nfs/dbraw/zinc/10/11/50/530101150.db2.gz KOLXSVSVFWVOKX-UHFFFAOYSA-N 1 2 379.464 -0.918 20 0 GBADLO C[N@@H+](C[C@@H](O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)C1CC1 ZINC000579042719 530101109 /nfs/dbraw/zinc/10/11/09/530101109.db2.gz UYGSCZBUXABEMC-CYBMUJFWSA-N 1 2 388.456 -0.108 20 0 GBADLO C[N@H+](C[C@@H](O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)C1CC1 ZINC000579042719 530101107 /nfs/dbraw/zinc/10/11/07/530101107.db2.gz UYGSCZBUXABEMC-CYBMUJFWSA-N 1 2 388.456 -0.108 20 0 GBADLO C[N@@H+](C[C@H](O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)C1CC1 ZINC000579042720 530101139 /nfs/dbraw/zinc/10/11/39/530101139.db2.gz UYGSCZBUXABEMC-ZDUSSCGKSA-N 1 2 388.456 -0.108 20 0 GBADLO C[N@H+](C[C@H](O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)C1CC1 ZINC000579042720 530101137 /nfs/dbraw/zinc/10/11/37/530101137.db2.gz UYGSCZBUXABEMC-ZDUSSCGKSA-N 1 2 388.456 -0.108 20 0 GBADLO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(S(=O)(=O)c3cc[nH]n3)CC2)C1 ZINC000579059690 530101170 /nfs/dbraw/zinc/10/11/70/530101170.db2.gz JTOXHBZTRCGEEW-CYBMUJFWSA-N 1 2 391.519 -0.612 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(S(=O)(=O)c3cc[nH]n3)CC2)C1 ZINC000579059691 530100940 /nfs/dbraw/zinc/10/09/40/530100940.db2.gz JTOXHBZTRCGEEW-ZDUSSCGKSA-N 1 2 391.519 -0.612 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CCO1 ZINC000579426852 1073173555 /nfs/dbraw/zinc/17/35/55/1073173555.db2.gz XXYRZCGJOFDTBQ-LLVKDONJSA-N 1 2 376.417 0.219 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CCO1 ZINC000579426852 1073173548 /nfs/dbraw/zinc/17/35/48/1073173548.db2.gz XXYRZCGJOFDTBQ-LLVKDONJSA-N 1 2 376.417 0.219 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CCO1 ZINC000579426853 1073173492 /nfs/dbraw/zinc/17/34/92/1073173492.db2.gz XXYRZCGJOFDTBQ-NSHDSACASA-N 1 2 376.417 0.219 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CCO1 ZINC000579426853 1073173487 /nfs/dbraw/zinc/17/34/87/1073173487.db2.gz XXYRZCGJOFDTBQ-NSHDSACASA-N 1 2 376.417 0.219 20 0 GBADLO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000579497832 530101901 /nfs/dbraw/zinc/10/19/01/530101901.db2.gz AXBLYKPRHXHMJG-CYBMUJFWSA-N 1 2 392.503 -0.597 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000579497833 530101833 /nfs/dbraw/zinc/10/18/33/530101833.db2.gz AXBLYKPRHXHMJG-ZDUSSCGKSA-N 1 2 392.503 -0.597 20 0 GBADLO CO[C@@H](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000579499393 530101873 /nfs/dbraw/zinc/10/18/73/530101873.db2.gz NZHNHABZEMJIPF-AWEZNQCLSA-N 1 2 377.511 -0.769 20 0 GBADLO CO[C@H](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000579499394 530101909 /nfs/dbraw/zinc/10/19/09/530101909.db2.gz NZHNHABZEMJIPF-CQSZACIVSA-N 1 2 377.511 -0.769 20 0 GBADLO CC1(C)CNC(=O)CN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000579614153 530101961 /nfs/dbraw/zinc/10/19/61/530101961.db2.gz SXKSDURIPBYDJJ-UHFFFAOYSA-N 1 2 393.491 -0.528 20 0 GBADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC[NH+](CCC(=O)OC)CC2)C1 ZINC000579749217 1072133398 /nfs/dbraw/zinc/13/33/98/1072133398.db2.gz MBYWESGGQPFVDV-AWEZNQCLSA-N 1 2 391.490 -0.313 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)O2)CCO1 ZINC000579780770 1072140485 /nfs/dbraw/zinc/14/04/85/1072140485.db2.gz JEMYPRQFVZYVIB-HZSPNIEDSA-N 1 2 385.461 -0.480 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)O2)CCO1 ZINC000579780770 1072140481 /nfs/dbraw/zinc/14/04/81/1072140481.db2.gz JEMYPRQFVZYVIB-HZSPNIEDSA-N 1 2 385.461 -0.480 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)O2)CCO1 ZINC000579780772 1072141577 /nfs/dbraw/zinc/14/15/77/1072141577.db2.gz JEMYPRQFVZYVIB-MELADBBJSA-N 1 2 385.461 -0.480 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)O2)CCO1 ZINC000579780772 1072141572 /nfs/dbraw/zinc/14/15/72/1072141572.db2.gz JEMYPRQFVZYVIB-MELADBBJSA-N 1 2 385.461 -0.480 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000579856096 1072196641 /nfs/dbraw/zinc/19/66/41/1072196641.db2.gz OVRVDLCNXMXSII-INIZCTEOSA-N 1 2 389.460 -0.461 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCc1nnnn1-c1ccccc1 ZINC000579856097 1072196596 /nfs/dbraw/zinc/19/65/96/1072196596.db2.gz OVRVDLCNXMXSII-MRXNPFEDSA-N 1 2 389.460 -0.461 20 0 GBADLO C[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CCN1C)[NH+]1CC(C)C1 ZINC000579858391 1072205305 /nfs/dbraw/zinc/20/53/05/1072205305.db2.gz ZLMISONNVRJMAT-FGTMMUONSA-N 1 2 379.549 -0.074 20 0 GBADLO C[C@H](C(=O)NC[C@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CCN1C)[NH+]1CC(C)C1 ZINC000579858392 1072205039 /nfs/dbraw/zinc/20/50/39/1072205039.db2.gz ZLMISONNVRJMAT-KURKYZTESA-N 1 2 379.549 -0.074 20 0 GBADLO C[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CCN1C)[NH+]1CC(C)C1 ZINC000579858393 1072205142 /nfs/dbraw/zinc/20/51/42/1072205142.db2.gz ZLMISONNVRJMAT-KZNAEPCWSA-N 1 2 379.549 -0.074 20 0 GBADLO C[C@H](C(=O)NC[C@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CCN1C)[NH+]1CC(C)C1 ZINC000579858394 1072205553 /nfs/dbraw/zinc/20/55/53/1072205553.db2.gz ZLMISONNVRJMAT-SQNIBIBYSA-N 1 2 379.549 -0.074 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)CC2)cc[nH+]1 ZINC000579881747 1072239958 /nfs/dbraw/zinc/23/99/58/1072239958.db2.gz BKXQTBKXLCVMJG-BEFAXECRSA-N 1 2 389.456 -0.112 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)CC2)cc[nH+]1 ZINC000579881748 1072240156 /nfs/dbraw/zinc/24/01/56/1072240156.db2.gz BKXQTBKXLCVMJG-DNVCBOLYSA-N 1 2 389.456 -0.112 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@]4(CCOC4)C3)CC2)cc[nH+]1 ZINC000579881749 1072240358 /nfs/dbraw/zinc/24/03/58/1072240358.db2.gz BKXQTBKXLCVMJG-HNAYVOBHSA-N 1 2 389.456 -0.112 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)CC2)cc[nH+]1 ZINC000579881750 1072240488 /nfs/dbraw/zinc/24/04/88/1072240488.db2.gz BKXQTBKXLCVMJG-KXBFYZLASA-N 1 2 389.456 -0.112 20 0 GBADLO Cn1c(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nnc1C1CC1 ZINC000579895677 1072274438 /nfs/dbraw/zinc/27/44/38/1072274438.db2.gz KKUUIRYQQMOXHF-AWEZNQCLSA-N 1 2 376.461 -0.511 20 0 GBADLO Cn1c(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nnc1C1CC1 ZINC000579895678 1072274212 /nfs/dbraw/zinc/27/42/12/1072274212.db2.gz KKUUIRYQQMOXHF-CQSZACIVSA-N 1 2 376.461 -0.511 20 0 GBADLO COC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000579975857 1072339697 /nfs/dbraw/zinc/33/96/97/1072339697.db2.gz AGYMFOMKXPIIKK-AWEZNQCLSA-N 1 2 393.444 -0.577 20 0 GBADLO COC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000579975857 1072339688 /nfs/dbraw/zinc/33/96/88/1072339688.db2.gz AGYMFOMKXPIIKK-AWEZNQCLSA-N 1 2 393.444 -0.577 20 0 GBADLO COC(=O)CNC(=O)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000579975860 1072339499 /nfs/dbraw/zinc/33/94/99/1072339499.db2.gz AGYMFOMKXPIIKK-CQSZACIVSA-N 1 2 393.444 -0.577 20 0 GBADLO COC(=O)CNC(=O)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000579975860 1072339489 /nfs/dbraw/zinc/33/94/89/1072339489.db2.gz AGYMFOMKXPIIKK-CQSZACIVSA-N 1 2 393.444 -0.577 20 0 GBADLO C[C@@H](NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000579987966 1072344203 /nfs/dbraw/zinc/34/42/03/1072344203.db2.gz OHZPCIWROPBKBQ-QLFBSQMISA-N 1 2 391.538 -0.334 20 0 GBADLO C[C@@H](NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000579987967 1072343770 /nfs/dbraw/zinc/34/37/70/1072343770.db2.gz OHZPCIWROPBKBQ-RBSFLKMASA-N 1 2 391.538 -0.334 20 0 GBADLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)[NH+]1CCOCC1 ZINC000579987968 1072343875 /nfs/dbraw/zinc/34/38/75/1072343875.db2.gz OHZPCIWROPBKBQ-RRFJBIMHSA-N 1 2 391.538 -0.334 20 0 GBADLO C[C@H](NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000579987969 1072344242 /nfs/dbraw/zinc/34/42/42/1072344242.db2.gz OHZPCIWROPBKBQ-SOUVJXGZSA-N 1 2 391.538 -0.334 20 0 GBADLO CC(C)SCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000579992055 530102798 /nfs/dbraw/zinc/10/27/98/530102798.db2.gz QRCLOKLZUZBGPB-UHFFFAOYSA-N 1 2 393.579 -0.053 20 0 GBADLO COC(=O)C[C@@H](C)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000580010492 1072348574 /nfs/dbraw/zinc/34/85/74/1072348574.db2.gz FYNFINGXPXXOAG-AWEZNQCLSA-N 1 2 390.506 -0.788 20 0 GBADLO COC(=O)C[C@H](C)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000580010498 1072348512 /nfs/dbraw/zinc/34/85/12/1072348512.db2.gz FYNFINGXPXXOAG-CQSZACIVSA-N 1 2 390.506 -0.788 20 0 GBADLO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCc1c[nH+]cn1C)CC2 ZINC000580019078 1072356910 /nfs/dbraw/zinc/35/69/10/1072356910.db2.gz RJZWPWILQDNUGR-UHFFFAOYSA-N 1 2 391.453 -0.076 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1)S(C)(=O)=O ZINC000580051313 530126173 /nfs/dbraw/zinc/12/61/73/530126173.db2.gz DIHDLUFRDZUSFD-CYBMUJFWSA-N 1 2 383.536 -0.859 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1)S(C)(=O)=O ZINC000580051313 530126169 /nfs/dbraw/zinc/12/61/69/530126169.db2.gz DIHDLUFRDZUSFD-CYBMUJFWSA-N 1 2 383.536 -0.859 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1)S(C)(=O)=O ZINC000580051314 530126016 /nfs/dbraw/zinc/12/60/16/530126016.db2.gz DIHDLUFRDZUSFD-ZDUSSCGKSA-N 1 2 383.536 -0.859 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1)S(C)(=O)=O ZINC000580051314 530126013 /nfs/dbraw/zinc/12/60/13/530126013.db2.gz DIHDLUFRDZUSFD-ZDUSSCGKSA-N 1 2 383.536 -0.859 20 0 GBADLO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000580088702 1072420156 /nfs/dbraw/zinc/42/01/56/1072420156.db2.gz BSGZWMPQAMPOPQ-UHFFFAOYSA-N 1 2 398.467 -0.103 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000580117674 530127177 /nfs/dbraw/zinc/12/71/77/530127177.db2.gz SLPPUHILCXOBIM-AWEZNQCLSA-N 1 2 377.511 -0.721 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000580117677 530127156 /nfs/dbraw/zinc/12/71/56/530127156.db2.gz SLPPUHILCXOBIM-CQSZACIVSA-N 1 2 377.511 -0.721 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000580127502 530127062 /nfs/dbraw/zinc/12/70/62/530127062.db2.gz OGSCTAWCEXGVIJ-JTQLQIEISA-N 1 2 397.906 -0.511 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000580127503 530126757 /nfs/dbraw/zinc/12/67/57/530126757.db2.gz OGSCTAWCEXGVIJ-SNVBAGLBSA-N 1 2 397.906 -0.511 20 0 GBADLO O=C(CN1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1)N1CCCCC1 ZINC000580165607 1072430407 /nfs/dbraw/zinc/43/04/07/1072430407.db2.gz NUXMGVQEUVADDY-UHFFFAOYSA-N 1 2 388.472 -0.618 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000580201024 1072434957 /nfs/dbraw/zinc/43/49/57/1072434957.db2.gz VAHCLWPQDXXBJV-CYBMUJFWSA-N 1 2 377.426 -0.039 20 0 GBADLO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000580201025 1072435236 /nfs/dbraw/zinc/43/52/36/1072435236.db2.gz VAHCLWPQDXXBJV-ZDUSSCGKSA-N 1 2 377.426 -0.039 20 0 GBADLO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000580215179 1072436734 /nfs/dbraw/zinc/43/67/34/1072436734.db2.gz QHRDGAPPZSTMJX-IAGOWNOFSA-N 1 2 381.498 -0.219 20 0 GBADLO COCCc1noc(CN(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC000580222163 1072437701 /nfs/dbraw/zinc/43/77/01/1072437701.db2.gz GOBLEZQVDDHYPL-AWEZNQCLSA-N 1 2 397.476 -0.310 20 0 GBADLO COCCc1noc(CN(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC000580222164 1072438127 /nfs/dbraw/zinc/43/81/27/1072438127.db2.gz GOBLEZQVDDHYPL-CQSZACIVSA-N 1 2 397.476 -0.310 20 0 GBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000580243973 1072439653 /nfs/dbraw/zinc/43/96/53/1072439653.db2.gz NPPBRIONKGHIJB-KBPBESRZSA-N 1 2 399.455 -0.158 20 0 GBADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000580243974 1072439490 /nfs/dbraw/zinc/43/94/90/1072439490.db2.gz NPPBRIONKGHIJB-KGLIPLIRSA-N 1 2 399.455 -0.158 20 0 GBADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000580243975 1072439523 /nfs/dbraw/zinc/43/95/23/1072439523.db2.gz NPPBRIONKGHIJB-UONOGXRCSA-N 1 2 399.455 -0.158 20 0 GBADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000580243976 1072439672 /nfs/dbraw/zinc/43/96/72/1072439672.db2.gz NPPBRIONKGHIJB-ZIAGYGMSSA-N 1 2 399.455 -0.158 20 0 GBADLO CCOCCS(=O)(=O)NCC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000580253630 1072439601 /nfs/dbraw/zinc/43/96/01/1072439601.db2.gz GGVKUYCXHZZPHD-UHFFFAOYSA-N 1 2 398.485 -0.576 20 0 GBADLO CCOCCS(=O)(=O)NCC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000580253630 1072439597 /nfs/dbraw/zinc/43/95/97/1072439597.db2.gz GGVKUYCXHZZPHD-UHFFFAOYSA-N 1 2 398.485 -0.576 20 0 GBADLO O=S(=O)(Nc1c[nH+]c[nH]1)c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1O ZINC000580347507 530283066 /nfs/dbraw/zinc/28/30/66/530283066.db2.gz ZBJHILDMWATUAN-NXEZZACHSA-N 1 2 388.427 -0.752 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000580355817 1072452515 /nfs/dbraw/zinc/45/25/15/1072452515.db2.gz OCFKSRCKERDVCZ-KPZWWZAWSA-N 1 2 380.445 -0.292 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000580355817 1072452507 /nfs/dbraw/zinc/45/25/07/1072452507.db2.gz OCFKSRCKERDVCZ-KPZWWZAWSA-N 1 2 380.445 -0.292 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000580355822 1072452870 /nfs/dbraw/zinc/45/28/70/1072452870.db2.gz OCFKSRCKERDVCZ-KZULUSFZSA-N 1 2 380.445 -0.292 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000580355822 1072452867 /nfs/dbraw/zinc/45/28/67/1072452867.db2.gz OCFKSRCKERDVCZ-KZULUSFZSA-N 1 2 380.445 -0.292 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000580355824 1072452997 /nfs/dbraw/zinc/45/29/97/1072452997.db2.gz OCFKSRCKERDVCZ-SGTLLEGYSA-N 1 2 380.445 -0.292 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000580355824 1072452994 /nfs/dbraw/zinc/45/29/94/1072452994.db2.gz OCFKSRCKERDVCZ-SGTLLEGYSA-N 1 2 380.445 -0.292 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000580355825 1072452885 /nfs/dbraw/zinc/45/28/85/1072452885.db2.gz OCFKSRCKERDVCZ-XIKOKIGWSA-N 1 2 380.445 -0.292 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000580355825 1072452882 /nfs/dbraw/zinc/45/28/82/1072452882.db2.gz OCFKSRCKERDVCZ-XIKOKIGWSA-N 1 2 380.445 -0.292 20 0 GBADLO O=C(NCc1cc2n(n1)CCCO2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000580363669 1072454291 /nfs/dbraw/zinc/45/42/91/1072454291.db2.gz IKTHJMZJMOVYHJ-AWEZNQCLSA-N 1 2 377.445 -0.538 20 0 GBADLO O=C(NCc1cc2n(n1)CCCO2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000580363670 1072454316 /nfs/dbraw/zinc/45/43/16/1072454316.db2.gz IKTHJMZJMOVYHJ-CQSZACIVSA-N 1 2 377.445 -0.538 20 0 GBADLO CC[C@H](NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(=O)N1CCOCC1 ZINC000580416886 1072460052 /nfs/dbraw/zinc/46/00/52/1072460052.db2.gz HIBCNEOVIUZHLP-KBPBESRZSA-N 1 2 377.445 -0.510 20 0 GBADLO CC[C@H](NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(=O)N1CCOCC1 ZINC000580416887 1072460191 /nfs/dbraw/zinc/46/01/91/1072460191.db2.gz HIBCNEOVIUZHLP-KGLIPLIRSA-N 1 2 377.445 -0.510 20 0 GBADLO CC[C@@H](NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(=O)N1CCOCC1 ZINC000580416888 1072459980 /nfs/dbraw/zinc/45/99/80/1072459980.db2.gz HIBCNEOVIUZHLP-UONOGXRCSA-N 1 2 377.445 -0.510 20 0 GBADLO CC[C@@H](NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(=O)N1CCOCC1 ZINC000580416889 1072460179 /nfs/dbraw/zinc/46/01/79/1072460179.db2.gz HIBCNEOVIUZHLP-ZIAGYGMSSA-N 1 2 377.445 -0.510 20 0 GBADLO [NH3+][C@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1c(F)cccc1F ZINC000580428089 1072460480 /nfs/dbraw/zinc/46/04/80/1072460480.db2.gz XZAGNWPUPNRDKD-KRWDZBQOSA-N 1 2 382.411 -0.032 20 0 GBADLO [NH3+][C@@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1c(F)cccc1F ZINC000580428090 1072460930 /nfs/dbraw/zinc/46/09/30/1072460930.db2.gz XZAGNWPUPNRDKD-QGZVFWFLSA-N 1 2 382.411 -0.032 20 0 GBADLO O=C(NCCNC(=O)c1cnccn1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000580443757 1072461632 /nfs/dbraw/zinc/46/16/32/1072461632.db2.gz OHWVWHVXGCUHJN-UHFFFAOYSA-N 1 2 397.439 -0.366 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000580467433 1072464486 /nfs/dbraw/zinc/46/44/86/1072464486.db2.gz PZVCAHDOYQHMMZ-HNNXBMFYSA-N 1 2 377.445 0.427 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000580467437 1072464420 /nfs/dbraw/zinc/46/44/20/1072464420.db2.gz PZVCAHDOYQHMMZ-OAHLLOKOSA-N 1 2 377.445 0.427 20 0 GBADLO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000580490702 1072466659 /nfs/dbraw/zinc/46/66/59/1072466659.db2.gz YUVJDLXDSPTFER-GFCCVEGCSA-N 1 2 376.379 -0.038 20 0 GBADLO O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000580490703 1072467077 /nfs/dbraw/zinc/46/70/77/1072467077.db2.gz YUVJDLXDSPTFER-LBPRGKRZSA-N 1 2 376.379 -0.038 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000580513441 1072467501 /nfs/dbraw/zinc/46/75/01/1072467501.db2.gz JEIOJNAVZIENMS-BZUAXINKSA-N 1 2 392.500 -0.127 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000580513442 1072467611 /nfs/dbraw/zinc/46/76/11/1072467611.db2.gz JEIOJNAVZIENMS-OAGGEKHMSA-N 1 2 392.500 -0.127 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000580513443 1072467520 /nfs/dbraw/zinc/46/75/20/1072467520.db2.gz JEIOJNAVZIENMS-OWCLPIDISA-N 1 2 392.500 -0.127 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000580513444 1072467765 /nfs/dbraw/zinc/46/77/65/1072467765.db2.gz JEIOJNAVZIENMS-PMPSAXMXSA-N 1 2 392.500 -0.127 20 0 GBADLO O=C(C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)N1CCN(Cc2ccsc2)CC1 ZINC000580531973 1072468696 /nfs/dbraw/zinc/46/86/96/1072468696.db2.gz LXSPJMKSNCTOEV-HOTGVXAUSA-N 1 2 378.498 -0.018 20 0 GBADLO O=C(C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)N1CCN(Cc2ccsc2)CC1 ZINC000580531973 1072468692 /nfs/dbraw/zinc/46/86/92/1072468692.db2.gz LXSPJMKSNCTOEV-HOTGVXAUSA-N 1 2 378.498 -0.018 20 0 GBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000580632443 1072477746 /nfs/dbraw/zinc/47/77/46/1072477746.db2.gz IGLZPXFEEPKFCV-CABCVRRESA-N 1 2 390.488 -0.627 20 0 GBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000580632444 1072477729 /nfs/dbraw/zinc/47/77/29/1072477729.db2.gz IGLZPXFEEPKFCV-GJZGRUSLSA-N 1 2 390.488 -0.627 20 0 GBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000580632445 1072477327 /nfs/dbraw/zinc/47/73/27/1072477327.db2.gz IGLZPXFEEPKFCV-HUUCEWRRSA-N 1 2 390.488 -0.627 20 0 GBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000580632446 1072477343 /nfs/dbraw/zinc/47/73/43/1072477343.db2.gz IGLZPXFEEPKFCV-LSDHHAIUSA-N 1 2 390.488 -0.627 20 0 GBADLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000580677754 1072480603 /nfs/dbraw/zinc/48/06/03/1072480603.db2.gz ZGYVPUNRXQZPPB-CQSZACIVSA-N 1 2 397.501 -0.282 20 0 GBADLO Cn1c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000580682362 1072480518 /nfs/dbraw/zinc/48/05/18/1072480518.db2.gz IQLFTSBTEMQHDV-ZDUSSCGKSA-N 1 2 389.456 -0.488 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000580692340 1072481553 /nfs/dbraw/zinc/48/15/53/1072481553.db2.gz TZFOUKYXIJVPFS-HNNXBMFYSA-N 1 2 383.493 -0.571 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000580692341 1072481569 /nfs/dbraw/zinc/48/15/69/1072481569.db2.gz TZFOUKYXIJVPFS-OAHLLOKOSA-N 1 2 383.493 -0.571 20 0 GBADLO O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000580700972 1072481476 /nfs/dbraw/zinc/48/14/76/1072481476.db2.gz BPNRGQAZEZKXCI-KCQAQPDRSA-N 1 2 375.416 -0.168 20 0 GBADLO O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000580700973 1072481173 /nfs/dbraw/zinc/48/11/73/1072481173.db2.gz BPNRGQAZEZKXCI-VNHYZAJKSA-N 1 2 375.416 -0.168 20 0 GBADLO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCc2c[nH+]cn2C)c1 ZINC000580720451 1072483170 /nfs/dbraw/zinc/48/31/70/1072483170.db2.gz JPIJOTIBKRZFSS-UHFFFAOYSA-N 1 2 380.430 -0.234 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000580761169 1072492851 /nfs/dbraw/zinc/49/28/51/1072492851.db2.gz CDWGDZOSKAGPET-GOSISDBHSA-N 1 2 396.488 -0.171 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000580761170 1072493078 /nfs/dbraw/zinc/49/30/78/1072493078.db2.gz CDWGDZOSKAGPET-SFHVURJKSA-N 1 2 396.488 -0.171 20 0 GBADLO O=C(NCCCN1CCCC1=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000580762599 1072493024 /nfs/dbraw/zinc/49/30/24/1072493024.db2.gz IWQHGKZLQCYHLZ-INIZCTEOSA-N 1 2 380.489 -0.172 20 0 GBADLO O=C(NCCCN1CCCC1=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000580762600 1072493048 /nfs/dbraw/zinc/49/30/48/1072493048.db2.gz IWQHGKZLQCYHLZ-MRXNPFEDSA-N 1 2 380.489 -0.172 20 0 GBADLO CCC(CC)(CO)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000580840971 530102618 /nfs/dbraw/zinc/10/26/18/530102618.db2.gz ASIVDHXJFJRHMI-UHFFFAOYSA-N 1 2 376.523 -0.579 20 0 GBADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000580841814 1072505652 /nfs/dbraw/zinc/50/56/52/1072505652.db2.gz MXHPUMUMPZLVJR-INIZCTEOSA-N 1 2 398.441 -0.495 20 0 GBADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000580841815 1072505722 /nfs/dbraw/zinc/50/57/22/1072505722.db2.gz MXHPUMUMPZLVJR-MRXNPFEDSA-N 1 2 398.441 -0.495 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2ccn(C(C)C)n2)CC1 ZINC000580887069 1072509031 /nfs/dbraw/zinc/50/90/31/1072509031.db2.gz VPJWPGMREFQYFD-UHFFFAOYSA-N 1 2 381.477 -0.114 20 0 GBADLO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)c1 ZINC000580889428 1072508466 /nfs/dbraw/zinc/50/84/66/1072508466.db2.gz BSTHBMKZAMZTJW-UHFFFAOYSA-N 1 2 394.497 -0.432 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cnc2C)CC1 ZINC000580902368 1072512454 /nfs/dbraw/zinc/51/24/54/1072512454.db2.gz JANHZOYWQUGNSO-UHFFFAOYSA-N 1 2 386.474 -0.543 20 0 GBADLO CNC(=O)C1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000581018138 1072532008 /nfs/dbraw/zinc/53/20/08/1072532008.db2.gz TYQVMJBUOVVIRJ-NFOMZHRRSA-N 1 2 396.488 -0.497 20 0 GBADLO CNC(=O)C1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000581018138 1072532001 /nfs/dbraw/zinc/53/20/01/1072532001.db2.gz TYQVMJBUOVVIRJ-NFOMZHRRSA-N 1 2 396.488 -0.497 20 0 GBADLO CNC(=O)C1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000581018143 1072531953 /nfs/dbraw/zinc/53/19/53/1072531953.db2.gz TYQVMJBUOVVIRJ-WLYUNCDWSA-N 1 2 396.488 -0.497 20 0 GBADLO CNC(=O)C1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000581018143 1072531949 /nfs/dbraw/zinc/53/19/49/1072531949.db2.gz TYQVMJBUOVVIRJ-WLYUNCDWSA-N 1 2 396.488 -0.497 20 0 GBADLO CCOC1CC(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)(N2CCOCC2)C1 ZINC000581039514 1072533129 /nfs/dbraw/zinc/53/31/29/1072533129.db2.gz SUOKILQGCXNQDJ-UHFFFAOYSA-N 1 2 394.516 -0.321 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000581093527 1072535760 /nfs/dbraw/zinc/53/57/60/1072535760.db2.gz IHFYQVDSUHACMU-HRCADAONSA-N 1 2 385.505 -0.152 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000581093530 1072535481 /nfs/dbraw/zinc/53/54/81/1072535481.db2.gz IHFYQVDSUHACMU-JYJNAYRXSA-N 1 2 385.505 -0.152 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000581093532 1072535790 /nfs/dbraw/zinc/53/57/90/1072535790.db2.gz IHFYQVDSUHACMU-OWCLPIDISA-N 1 2 385.505 -0.152 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000581093534 1072535694 /nfs/dbraw/zinc/53/56/94/1072535694.db2.gz IHFYQVDSUHACMU-PMPSAXMXSA-N 1 2 385.505 -0.152 20 0 GBADLO O=C(CN1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1)N1CCCC1 ZINC000581117465 1072538697 /nfs/dbraw/zinc/53/86/97/1072538697.db2.gz IKNNPUXICDHOFH-UHFFFAOYSA-N 1 2 377.489 -0.940 20 0 GBADLO CCn1c(N)c(C(=O)C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c(=O)[nH]c1=O ZINC000581141325 1072540301 /nfs/dbraw/zinc/54/03/01/1072540301.db2.gz YVAGTXXTMCWYNQ-CYBMUJFWSA-N 1 2 377.445 -0.030 20 0 GBADLO CCn1c(N)c(C(=O)C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c(=O)[nH]c1=O ZINC000581141326 1072540187 /nfs/dbraw/zinc/54/01/87/1072540187.db2.gz YVAGTXXTMCWYNQ-ZDUSSCGKSA-N 1 2 377.445 -0.030 20 0 GBADLO CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000581143090 530103016 /nfs/dbraw/zinc/10/30/16/530103016.db2.gz UIBOCAVVHBXPKG-NEPJUHHUSA-N 1 2 380.492 -0.036 20 0 GBADLO CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000581143092 530103103 /nfs/dbraw/zinc/10/31/03/530103103.db2.gz UIBOCAVVHBXPKG-NWDGAFQWSA-N 1 2 380.492 -0.036 20 0 GBADLO CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000581143093 530102867 /nfs/dbraw/zinc/10/28/67/530102867.db2.gz UIBOCAVVHBXPKG-RYUDHWBXSA-N 1 2 380.492 -0.036 20 0 GBADLO CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000581143095 530103425 /nfs/dbraw/zinc/10/34/25/530103425.db2.gz UIBOCAVVHBXPKG-VXGBXAGGSA-N 1 2 380.492 -0.036 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCc2ncc(C)cn2)[C@@H](C)C1 ZINC000581155786 1072542648 /nfs/dbraw/zinc/54/26/48/1072542648.db2.gz QOIJXMWGFXRIQR-AWEZNQCLSA-N 1 2 377.445 -0.460 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCc2ncc(C)cn2)[C@@H](C)C1 ZINC000581155786 1072542641 /nfs/dbraw/zinc/54/26/41/1072542641.db2.gz QOIJXMWGFXRIQR-AWEZNQCLSA-N 1 2 377.445 -0.460 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCc2ncc(C)cn2)[C@H](C)C1 ZINC000581155787 1072542772 /nfs/dbraw/zinc/54/27/72/1072542772.db2.gz QOIJXMWGFXRIQR-CQSZACIVSA-N 1 2 377.445 -0.460 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCc2ncc(C)cn2)[C@H](C)C1 ZINC000581155787 1072542760 /nfs/dbraw/zinc/54/27/60/1072542760.db2.gz QOIJXMWGFXRIQR-CQSZACIVSA-N 1 2 377.445 -0.460 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)[NH+]1CCN(C)CC1 ZINC000581204834 1072546429 /nfs/dbraw/zinc/54/64/29/1072546429.db2.gz CBLIDJHFEPALNQ-DOTOQJQBSA-N 1 2 376.505 -0.229 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)[NH+]1CCN(C)CC1 ZINC000581204835 1072546723 /nfs/dbraw/zinc/54/67/23/1072546723.db2.gz CBLIDJHFEPALNQ-NVXWUHKLSA-N 1 2 376.505 -0.229 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1)[NH+]1CCN(C)CC1 ZINC000581204836 1072546384 /nfs/dbraw/zinc/54/63/84/1072546384.db2.gz CBLIDJHFEPALNQ-RDJZCZTQSA-N 1 2 376.505 -0.229 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1)[NH+]1CCN(C)CC1 ZINC000581204838 1072546665 /nfs/dbraw/zinc/54/66/65/1072546665.db2.gz CBLIDJHFEPALNQ-WBVHZDCISA-N 1 2 376.505 -0.229 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)NCCN1CCOC(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000581240160 1072553731 /nfs/dbraw/zinc/55/37/31/1072553731.db2.gz ZZPSMGZXWDVIGP-KRWDZBQOSA-N 1 2 397.564 -0.398 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)NCCN1CCOC(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000581240161 1072553425 /nfs/dbraw/zinc/55/34/25/1072553425.db2.gz ZZPSMGZXWDVIGP-QGZVFWFLSA-N 1 2 397.564 -0.398 20 0 GBADLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)O1 ZINC000581328326 1072567465 /nfs/dbraw/zinc/56/74/65/1072567465.db2.gz VDQPKXIZHKPJJR-LSDHHAIUSA-N 1 2 376.461 -0.649 20 0 GBADLO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000581380638 530103782 /nfs/dbraw/zinc/10/37/82/530103782.db2.gz AXNKDHSCBVAXJP-UHFFFAOYSA-N 1 2 391.877 -0.061 20 0 GBADLO COc1ccccc1N(CCC(N)=O)C(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000581384972 1072573809 /nfs/dbraw/zinc/57/38/09/1072573809.db2.gz UPJCGJHLUUBXMQ-UHFFFAOYSA-N 1 2 398.485 -0.344 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCc3nnc(C)n3C2)C[C@@H]1C ZINC000581387364 1072574580 /nfs/dbraw/zinc/57/45/80/1072574580.db2.gz QQJWHLDIGWSNHD-DZGCQCFKSA-N 1 2 378.477 -0.556 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCc3nnc(C)n3C2)C[C@@H]1C ZINC000581387364 1072574578 /nfs/dbraw/zinc/57/45/78/1072574578.db2.gz QQJWHLDIGWSNHD-DZGCQCFKSA-N 1 2 378.477 -0.556 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCc3nnc(C)n3C2)C[C@H]1C ZINC000581387365 1072574610 /nfs/dbraw/zinc/57/46/10/1072574610.db2.gz QQJWHLDIGWSNHD-HIFRSBDPSA-N 1 2 378.477 -0.556 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCc3nnc(C)n3C2)C[C@H]1C ZINC000581387365 1072574595 /nfs/dbraw/zinc/57/45/95/1072574595.db2.gz QQJWHLDIGWSNHD-HIFRSBDPSA-N 1 2 378.477 -0.556 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCc3nnc(C)n3C2)C[C@H]1C ZINC000581387366 1072574956 /nfs/dbraw/zinc/57/49/56/1072574956.db2.gz QQJWHLDIGWSNHD-UKRRQHHQSA-N 1 2 378.477 -0.556 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCc3nnc(C)n3C2)C[C@H]1C ZINC000581387366 1072574952 /nfs/dbraw/zinc/57/49/52/1072574952.db2.gz QQJWHLDIGWSNHD-UKRRQHHQSA-N 1 2 378.477 -0.556 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCc3nnc(C)n3C2)C[C@@H]1C ZINC000581387367 1072574806 /nfs/dbraw/zinc/57/48/06/1072574806.db2.gz QQJWHLDIGWSNHD-ZFWWWQNUSA-N 1 2 378.477 -0.556 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCc3nnc(C)n3C2)C[C@@H]1C ZINC000581387367 1072574796 /nfs/dbraw/zinc/57/47/96/1072574796.db2.gz QQJWHLDIGWSNHD-ZFWWWQNUSA-N 1 2 378.477 -0.556 20 0 GBADLO CC[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@@H]1O ZINC000581439938 530104022 /nfs/dbraw/zinc/10/40/22/530104022.db2.gz OOPFHMYUHSRBGQ-NEPJUHHUSA-N 1 2 380.492 -0.036 20 0 GBADLO CC[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H]1O ZINC000581439939 530103966 /nfs/dbraw/zinc/10/39/66/530103966.db2.gz OOPFHMYUHSRBGQ-NWDGAFQWSA-N 1 2 380.492 -0.036 20 0 GBADLO CC[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@@H]1O ZINC000581439940 530103916 /nfs/dbraw/zinc/10/39/16/530103916.db2.gz OOPFHMYUHSRBGQ-RYUDHWBXSA-N 1 2 380.492 -0.036 20 0 GBADLO CC[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H]1O ZINC000581439941 530103834 /nfs/dbraw/zinc/10/38/34/530103834.db2.gz OOPFHMYUHSRBGQ-VXGBXAGGSA-N 1 2 380.492 -0.036 20 0 GBADLO C[C@H](CNc1nc(NC[C@H](C)S(C)(=O)=O)[nH+]cc1Cl)S(C)(=O)=O ZINC000581441658 530103904 /nfs/dbraw/zinc/10/39/04/530103904.db2.gz VGONQUVZDGTCBA-BDAKNGLRSA-N 1 2 384.911 -0.336 20 0 GBADLO C[C@H](CNc1nc(NC[C@H](C)S(C)(=O)=O)c(Cl)c[nH+]1)S(C)(=O)=O ZINC000581441659 530103909 /nfs/dbraw/zinc/10/39/09/530103909.db2.gz VGONQUVZDGTCBA-DTWKUNHWSA-N 1 2 384.911 -0.336 20 0 GBADLO C[C@@H](CNc1nc(NC[C@H](C)S(C)(=O)=O)c(Cl)c[nH+]1)S(C)(=O)=O ZINC000581441660 530103978 /nfs/dbraw/zinc/10/39/78/530103978.db2.gz VGONQUVZDGTCBA-IUCAKERBSA-N 1 2 384.911 -0.336 20 0 GBADLO C[C@H](CNc1nc(NC[C@@H](C)S(C)(=O)=O)c(Cl)c[nH+]1)S(C)(=O)=O ZINC000581441661 530103821 /nfs/dbraw/zinc/10/38/21/530103821.db2.gz VGONQUVZDGTCBA-RKDXNWHRSA-N 1 2 384.911 -0.336 20 0 GBADLO CCO[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000581468458 1072589363 /nfs/dbraw/zinc/58/93/63/1072589363.db2.gz TXRSNLNMISKMMH-DZGCQCFKSA-N 1 2 375.429 -0.299 20 0 GBADLO CCO[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000581468459 1072589381 /nfs/dbraw/zinc/58/93/81/1072589381.db2.gz TXRSNLNMISKMMH-HIFRSBDPSA-N 1 2 375.429 -0.299 20 0 GBADLO CCO[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000581468460 1072589007 /nfs/dbraw/zinc/58/90/07/1072589007.db2.gz TXRSNLNMISKMMH-UKRRQHHQSA-N 1 2 375.429 -0.299 20 0 GBADLO CCO[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000581468461 1072589445 /nfs/dbraw/zinc/58/94/45/1072589445.db2.gz TXRSNLNMISKMMH-ZFWWWQNUSA-N 1 2 375.429 -0.299 20 0 GBADLO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000581474657 1072593376 /nfs/dbraw/zinc/59/33/76/1072593376.db2.gz CFLLEUYGMHWEBX-CYJAXWMASA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000581474657 1072593367 /nfs/dbraw/zinc/59/33/67/1072593367.db2.gz CFLLEUYGMHWEBX-CYJAXWMASA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@H]1OCC[C@]12CN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000581474658 1072593079 /nfs/dbraw/zinc/59/30/79/1072593079.db2.gz CFLLEUYGMHWEBX-OLMMMNRUSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@H]1OCC[C@]12CN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000581474658 1072593073 /nfs/dbraw/zinc/59/30/73/1072593073.db2.gz CFLLEUYGMHWEBX-OLMMMNRUSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000581474659 1072592703 /nfs/dbraw/zinc/59/27/03/1072592703.db2.gz CFLLEUYGMHWEBX-RCJHGTSTSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000581474659 1072592693 /nfs/dbraw/zinc/59/26/93/1072592693.db2.gz CFLLEUYGMHWEBX-RCJHGTSTSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000581474660 1072592941 /nfs/dbraw/zinc/59/29/41/1072592941.db2.gz CFLLEUYGMHWEBX-YYAJDYIMSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000581474660 1072592937 /nfs/dbraw/zinc/59/29/37/1072592937.db2.gz CFLLEUYGMHWEBX-YYAJDYIMSA-N 1 2 383.489 -0.040 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2c[nH+]cn2C)c1 ZINC000581519468 1072600739 /nfs/dbraw/zinc/60/07/39/1072600739.db2.gz AKMHMTUCKURGCG-UHFFFAOYSA-N 1 2 379.442 -0.283 20 0 GBADLO O=C(NC1(CO)Cc2ccccc2C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000581526984 1072602764 /nfs/dbraw/zinc/60/27/64/1072602764.db2.gz CHUHUCWEEFCMMP-GOSISDBHSA-N 1 2 387.480 -0.187 20 0 GBADLO O=C(NC1(CO)Cc2ccccc2C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000581526985 1072602584 /nfs/dbraw/zinc/60/25/84/1072602584.db2.gz CHUHUCWEEFCMMP-SFHVURJKSA-N 1 2 387.480 -0.187 20 0 GBADLO O=C(C[N@@H+]1CCOC[C@H](O)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000581529769 1072602852 /nfs/dbraw/zinc/60/28/52/1072602852.db2.gz UHTXARBIAQLRQX-GOSISDBHSA-N 1 2 375.469 -0.041 20 0 GBADLO O=C(C[N@H+]1CCOC[C@H](O)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000581529769 1072602839 /nfs/dbraw/zinc/60/28/39/1072602839.db2.gz UHTXARBIAQLRQX-GOSISDBHSA-N 1 2 375.469 -0.041 20 0 GBADLO O=C(C[N@@H+]1CCOC[C@@H](O)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000581529770 1072603667 /nfs/dbraw/zinc/60/36/67/1072603667.db2.gz UHTXARBIAQLRQX-SFHVURJKSA-N 1 2 375.469 -0.041 20 0 GBADLO O=C(C[N@H+]1CCOC[C@@H](O)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000581529770 1072603665 /nfs/dbraw/zinc/60/36/65/1072603665.db2.gz UHTXARBIAQLRQX-SFHVURJKSA-N 1 2 375.469 -0.041 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000581534538 1072603844 /nfs/dbraw/zinc/60/38/44/1072603844.db2.gz DNFQQYMPPFRYPF-CYJAXWMASA-N 1 2 381.473 -0.428 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000581534539 1072603689 /nfs/dbraw/zinc/60/36/89/1072603689.db2.gz DNFQQYMPPFRYPF-MKSNKDDYSA-N 1 2 381.473 -0.428 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000581534540 1072603698 /nfs/dbraw/zinc/60/36/98/1072603698.db2.gz DNFQQYMPPFRYPF-RCJHGTSTSA-N 1 2 381.473 -0.428 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000581534541 1072603513 /nfs/dbraw/zinc/60/35/13/1072603513.db2.gz DNFQQYMPPFRYPF-WFXMFSGNSA-N 1 2 381.473 -0.428 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000581581086 1072610280 /nfs/dbraw/zinc/61/02/80/1072610280.db2.gz JVJBJMPUWVZDQQ-HNNXBMFYSA-N 1 2 390.554 -0.854 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000581581087 1072610238 /nfs/dbraw/zinc/61/02/38/1072610238.db2.gz JVJBJMPUWVZDQQ-OAHLLOKOSA-N 1 2 390.554 -0.854 20 0 GBADLO C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1)c1ccn(C)n1 ZINC000581618007 530104142 /nfs/dbraw/zinc/10/41/42/530104142.db2.gz MZYNQFOLSLBCMA-JTQLQIEISA-N 1 2 376.464 -0.044 20 0 GBADLO C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1)c1ccn(C)n1 ZINC000581618008 530104429 /nfs/dbraw/zinc/10/44/29/530104429.db2.gz MZYNQFOLSLBCMA-SNVBAGLBSA-N 1 2 376.464 -0.044 20 0 GBADLO O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000581635099 1072618078 /nfs/dbraw/zinc/61/80/78/1072618078.db2.gz RLWGLVKJSIZYFW-UHFFFAOYSA-N 1 2 395.423 -0.110 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 ZINC000581639524 530104505 /nfs/dbraw/zinc/10/45/05/530104505.db2.gz SMSJLRDPBFLRJS-NSHDSACASA-N 1 2 377.413 -0.232 20 0 GBADLO NC(=O)CN1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1=O ZINC000581711147 1072159512 /nfs/dbraw/zinc/15/95/12/1072159512.db2.gz LRRZMBDBGAAKLR-KRWDZBQOSA-N 1 2 376.482 -0.067 20 0 GBADLO NC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1=O ZINC000581711148 1072159546 /nfs/dbraw/zinc/15/95/46/1072159546.db2.gz LRRZMBDBGAAKLR-QGZVFWFLSA-N 1 2 376.482 -0.067 20 0 GBADLO Cc1c[nH+]c2cc(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)ccn12 ZINC000581735398 1072164427 /nfs/dbraw/zinc/16/44/27/1072164427.db2.gz PATXKHBISUGGRA-UHFFFAOYSA-N 1 2 375.414 -0.092 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC[N@@H+](C)C1 ZINC000581775565 1072171704 /nfs/dbraw/zinc/17/17/04/1072171704.db2.gz FHTLQEPSVNSORS-LLVKDONJSA-N 1 2 383.426 -0.257 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC[N@H+](C)C1 ZINC000581775565 1072171701 /nfs/dbraw/zinc/17/17/01/1072171701.db2.gz FHTLQEPSVNSORS-LLVKDONJSA-N 1 2 383.426 -0.257 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC[N@@H+](C)C1 ZINC000581775566 1072171887 /nfs/dbraw/zinc/17/18/87/1072171887.db2.gz FHTLQEPSVNSORS-NSHDSACASA-N 1 2 383.426 -0.257 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC[N@H+](C)C1 ZINC000581775566 1072171883 /nfs/dbraw/zinc/17/18/83/1072171883.db2.gz FHTLQEPSVNSORS-NSHDSACASA-N 1 2 383.426 -0.257 20 0 GBADLO CC1(C)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H]1O ZINC000581834927 530104778 /nfs/dbraw/zinc/10/47/78/530104778.db2.gz GBXFXXCLUAZPAB-LLVKDONJSA-N 1 2 380.492 -0.036 20 0 GBADLO CC1(C)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@@H]1O ZINC000581834928 530104851 /nfs/dbraw/zinc/10/48/51/530104851.db2.gz GBXFXXCLUAZPAB-NSHDSACASA-N 1 2 380.492 -0.036 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000581835042 530104734 /nfs/dbraw/zinc/10/47/34/530104734.db2.gz KONRCTFDIUGZPS-LLVKDONJSA-N 1 2 382.508 -0.662 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000581835043 530104750 /nfs/dbraw/zinc/10/47/50/530104750.db2.gz KONRCTFDIUGZPS-NSHDSACASA-N 1 2 382.508 -0.662 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@]2(CCOC2)O1 ZINC000581870516 1072181479 /nfs/dbraw/zinc/18/14/79/1072181479.db2.gz WREYMAOATCTTHA-BEFAXECRSA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@]2(CCOC2)O1 ZINC000581870516 1072181477 /nfs/dbraw/zinc/18/14/77/1072181477.db2.gz WREYMAOATCTTHA-BEFAXECRSA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@@]2(CCOC2)O1 ZINC000581870517 1072181131 /nfs/dbraw/zinc/18/11/31/1072181131.db2.gz WREYMAOATCTTHA-DNVCBOLYSA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@@]2(CCOC2)O1 ZINC000581870517 1072181127 /nfs/dbraw/zinc/18/11/27/1072181127.db2.gz WREYMAOATCTTHA-DNVCBOLYSA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@@]2(CCOC2)O1 ZINC000581870518 1072181168 /nfs/dbraw/zinc/18/11/68/1072181168.db2.gz WREYMAOATCTTHA-HNAYVOBHSA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@@]2(CCOC2)O1 ZINC000581870518 1072181163 /nfs/dbraw/zinc/18/11/63/1072181163.db2.gz WREYMAOATCTTHA-HNAYVOBHSA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@]2(CCOC2)O1 ZINC000581870519 1072181055 /nfs/dbraw/zinc/18/10/55/1072181055.db2.gz WREYMAOATCTTHA-KXBFYZLASA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@]2(CCOC2)O1 ZINC000581870519 1072181051 /nfs/dbraw/zinc/18/10/51/1072181051.db2.gz WREYMAOATCTTHA-KXBFYZLASA-N 1 2 383.489 -0.038 20 0 GBADLO CNC(=O)[C@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000581954405 530105586 /nfs/dbraw/zinc/10/55/86/530105586.db2.gz WQWONYXARCYQHG-CYBMUJFWSA-N 1 2 393.491 -0.671 20 0 GBADLO CNC(=O)[C@@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000581954406 530105576 /nfs/dbraw/zinc/10/55/76/530105576.db2.gz WQWONYXARCYQHG-ZDUSSCGKSA-N 1 2 393.491 -0.671 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C(F)(F)F)CC2)CC1 ZINC000581983507 530105666 /nfs/dbraw/zinc/10/56/66/530105666.db2.gz ASZUUEMCRUCPHI-VXGBXAGGSA-N 1 2 384.424 -0.179 20 0 GBADLO Cc1ccc(NC(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)cc1S(=O)(=O)N(C)C ZINC000582011029 1072278981 /nfs/dbraw/zinc/27/89/81/1072278981.db2.gz NKGWHSPWBUUASO-INIZCTEOSA-N 1 2 384.458 -0.582 20 0 GBADLO Cc1ccc(NC(=O)C[NH2+][C@]2(C(N)=O)CCOC2)cc1S(=O)(=O)N(C)C ZINC000582011030 1072279158 /nfs/dbraw/zinc/27/91/58/1072279158.db2.gz NKGWHSPWBUUASO-MRXNPFEDSA-N 1 2 384.458 -0.582 20 0 GBADLO NC(=O)[C@@]1(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000582012909 1072282207 /nfs/dbraw/zinc/28/22/07/1072282207.db2.gz VMEIUZAWAYJZHH-GOSISDBHSA-N 1 2 375.429 -0.729 20 0 GBADLO NC(=O)[C@]1(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000582012910 1072281629 /nfs/dbraw/zinc/28/16/29/1072281629.db2.gz VMEIUZAWAYJZHH-SFHVURJKSA-N 1 2 375.429 -0.729 20 0 GBADLO NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000582014478 530105970 /nfs/dbraw/zinc/10/59/70/530105970.db2.gz SUWVFQKTXYRMEO-GHMZBOCLSA-N 1 2 393.491 -0.495 20 0 GBADLO NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000582014479 530106234 /nfs/dbraw/zinc/10/62/34/530106234.db2.gz SUWVFQKTXYRMEO-MNOVXSKESA-N 1 2 393.491 -0.495 20 0 GBADLO NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000582014480 530105953 /nfs/dbraw/zinc/10/59/53/530105953.db2.gz SUWVFQKTXYRMEO-QWRGUYRKSA-N 1 2 393.491 -0.495 20 0 GBADLO NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000582014481 530106006 /nfs/dbraw/zinc/10/60/06/530106006.db2.gz SUWVFQKTXYRMEO-WDEREUQCSA-N 1 2 393.491 -0.495 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccnc(N(C)C)n2)[C@H](C)C1 ZINC000582068382 1072309188 /nfs/dbraw/zinc/30/91/88/1072309188.db2.gz JTHSUUMMTVHGMW-CYBMUJFWSA-N 1 2 392.460 -0.745 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccnc(N(C)C)n2)[C@H](C)C1 ZINC000582068382 1072309181 /nfs/dbraw/zinc/30/91/81/1072309181.db2.gz JTHSUUMMTVHGMW-CYBMUJFWSA-N 1 2 392.460 -0.745 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2ccnc(N(C)C)n2)[C@@H](C)C1 ZINC000582068383 1072309307 /nfs/dbraw/zinc/30/93/07/1072309307.db2.gz JTHSUUMMTVHGMW-ZDUSSCGKSA-N 1 2 392.460 -0.745 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2ccnc(N(C)C)n2)[C@@H](C)C1 ZINC000582068383 1072309304 /nfs/dbraw/zinc/30/93/04/1072309304.db2.gz JTHSUUMMTVHGMW-ZDUSSCGKSA-N 1 2 392.460 -0.745 20 0 GBADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](c4[nH+]ccn4C)C3)C2=O)n(C)n1 ZINC000582082522 1072310898 /nfs/dbraw/zinc/31/08/98/1072310898.db2.gz NAPRQTFNQHOQKH-KBPBESRZSA-N 1 2 399.455 -0.300 20 0 GBADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)n(C)n1 ZINC000582082523 1072310748 /nfs/dbraw/zinc/31/07/48/1072310748.db2.gz NAPRQTFNQHOQKH-KGLIPLIRSA-N 1 2 399.455 -0.300 20 0 GBADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](c4[nH+]ccn4C)C3)C2=O)n(C)n1 ZINC000582082524 1072310673 /nfs/dbraw/zinc/31/06/73/1072310673.db2.gz NAPRQTFNQHOQKH-UONOGXRCSA-N 1 2 399.455 -0.300 20 0 GBADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)n(C)n1 ZINC000582082525 1072311021 /nfs/dbraw/zinc/31/10/21/1072311021.db2.gz NAPRQTFNQHOQKH-ZIAGYGMSSA-N 1 2 399.455 -0.300 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H](C)CO[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000582084489 1072311058 /nfs/dbraw/zinc/31/10/58/1072311058.db2.gz SZYGNLTWNNCBFD-DZGCQCFKSA-N 1 2 377.445 -0.256 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H](C)CO[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000582084490 1072310832 /nfs/dbraw/zinc/31/08/32/1072310832.db2.gz SZYGNLTWNNCBFD-HIFRSBDPSA-N 1 2 377.445 -0.256 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H](C)CO[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000582084491 1072310605 /nfs/dbraw/zinc/31/06/05/1072310605.db2.gz SZYGNLTWNNCBFD-UKRRQHHQSA-N 1 2 377.445 -0.256 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H](C)CO[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000582084492 1072310966 /nfs/dbraw/zinc/31/09/66/1072310966.db2.gz SZYGNLTWNNCBFD-ZFWWWQNUSA-N 1 2 377.445 -0.256 20 0 GBADLO Cc1c(C[N@@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cnn1C ZINC000582102200 1073298397 /nfs/dbraw/zinc/29/83/97/1073298397.db2.gz MWCNMMCRDGINIU-UHFFFAOYSA-N 1 2 392.504 -0.837 20 0 GBADLO Cc1c(C[N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cnn1C ZINC000582102200 1073298392 /nfs/dbraw/zinc/29/83/92/1073298392.db2.gz MWCNMMCRDGINIU-UHFFFAOYSA-N 1 2 392.504 -0.837 20 0 GBADLO CCn1cc(CN(C)C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)cn1 ZINC000582109571 1072314427 /nfs/dbraw/zinc/31/44/27/1072314427.db2.gz JFIXZHBNDPTWEO-UHFFFAOYSA-N 1 2 381.477 -0.333 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)NCc1ccnc(N(C)C)n1)[NH+]1CCOCC1 ZINC000582135788 1072317102 /nfs/dbraw/zinc/31/71/02/1072317102.db2.gz MNAMAQFQRLBWAL-HNNXBMFYSA-N 1 2 378.477 -0.368 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)NCc1ccnc(N(C)C)n1)[NH+]1CCOCC1 ZINC000582135789 1072317182 /nfs/dbraw/zinc/31/71/82/1072317182.db2.gz MNAMAQFQRLBWAL-OAHLLOKOSA-N 1 2 378.477 -0.368 20 0 GBADLO CCOC(=O)CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000582172728 1072322242 /nfs/dbraw/zinc/32/22/42/1072322242.db2.gz LTJMUQNXRLITPW-AWEZNQCLSA-N 1 2 391.472 -0.098 20 0 GBADLO CCOC(=O)CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000582172729 1072321918 /nfs/dbraw/zinc/32/19/18/1072321918.db2.gz LTJMUQNXRLITPW-CQSZACIVSA-N 1 2 391.472 -0.098 20 0 GBADLO CC(C)Nc1nc(N2CCC[C@H](C(=O)N3CCCC3)C2)nc(NCCO)[nH+]1 ZINC000582198064 1072323754 /nfs/dbraw/zinc/32/37/54/1072323754.db2.gz JDFKLFLNNQFDGN-AWEZNQCLSA-N 1 2 377.493 -0.221 20 0 GBADLO CC(C)Nc1nc(N2CCC[C@@H](C(=O)N3CCCC3)C2)nc(NCCO)[nH+]1 ZINC000582198065 1072324191 /nfs/dbraw/zinc/32/41/91/1072324191.db2.gz JDFKLFLNNQFDGN-CQSZACIVSA-N 1 2 377.493 -0.221 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000582233785 1072326311 /nfs/dbraw/zinc/32/63/11/1072326311.db2.gz CLLQWRIEKKFOSO-UHFFFAOYSA-N 1 2 382.505 -0.463 20 0 GBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000582286955 530311058 /nfs/dbraw/zinc/31/10/58/530311058.db2.gz MOFLOERXCRNQOY-CYBMUJFWSA-N 1 2 386.499 -0.718 20 0 GBADLO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000582286956 530311110 /nfs/dbraw/zinc/31/11/10/530311110.db2.gz MOFLOERXCRNQOY-ZDUSSCGKSA-N 1 2 386.499 -0.718 20 0 GBADLO COCCN(Cc1ccnn1C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000582289674 1072334098 /nfs/dbraw/zinc/33/40/98/1072334098.db2.gz FFUJHFXZJHUWDQ-KRWDZBQOSA-N 1 2 395.504 -0.132 20 0 GBADLO COCCN(Cc1ccnn1C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000582289675 1072333972 /nfs/dbraw/zinc/33/39/72/1072333972.db2.gz FFUJHFXZJHUWDQ-QGZVFWFLSA-N 1 2 395.504 -0.132 20 0 GBADLO CCC(CC)(NC(=O)C1CN(C(=O)C2([NH+]3CCOCC3)CCC2)C1)C(N)=O ZINC000582307364 1072336089 /nfs/dbraw/zinc/33/60/89/1072336089.db2.gz IFWKKJODUPZMGB-UHFFFAOYSA-N 1 2 380.489 -0.140 20 0 GBADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000582348849 1072338922 /nfs/dbraw/zinc/33/89/22/1072338922.db2.gz BUHVFXPSFJKHKB-UHFFFAOYSA-N 1 2 381.387 -0.065 20 0 GBADLO COC(=O)C1(CS(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCCC1 ZINC000582388155 530316734 /nfs/dbraw/zinc/31/67/34/530316734.db2.gz CUNRPHLHSILFDR-HNNXBMFYSA-N 1 2 378.491 -0.278 20 0 GBADLO COC(=O)C1(CS(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCCC1 ZINC000582388156 530316728 /nfs/dbraw/zinc/31/67/28/530316728.db2.gz CUNRPHLHSILFDR-OAHLLOKOSA-N 1 2 378.491 -0.278 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)NC1(CCO)CCCC1 ZINC000582413264 1072351104 /nfs/dbraw/zinc/35/11/04/1072351104.db2.gz GXHSKEYDTKDVMC-UHFFFAOYSA-N 1 2 379.461 -0.035 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC(=O)N1 ZINC000582431055 530318076 /nfs/dbraw/zinc/31/80/76/530318076.db2.gz QQZRBLMIZRBNPX-JTQLQIEISA-N 1 2 379.464 -0.918 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC(=O)N1 ZINC000582431056 530318042 /nfs/dbraw/zinc/31/80/42/530318042.db2.gz QQZRBLMIZRBNPX-SNVBAGLBSA-N 1 2 379.464 -0.918 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000582498591 530327727 /nfs/dbraw/zinc/32/77/27/530327727.db2.gz RTMDJOAACGEVFG-KBPBESRZSA-N 1 2 383.536 -0.654 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000582498592 530327759 /nfs/dbraw/zinc/32/77/59/530327759.db2.gz RTMDJOAACGEVFG-KGLIPLIRSA-N 1 2 383.536 -0.654 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000582498593 530327847 /nfs/dbraw/zinc/32/78/47/530327847.db2.gz RTMDJOAACGEVFG-UONOGXRCSA-N 1 2 383.536 -0.654 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000582498594 530327730 /nfs/dbraw/zinc/32/77/30/530327730.db2.gz RTMDJOAACGEVFG-ZIAGYGMSSA-N 1 2 383.536 -0.654 20 0 GBADLO CC[C@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(=O)N1CCOCC1 ZINC000582507340 1072363805 /nfs/dbraw/zinc/36/38/05/1072363805.db2.gz OLQIQXCJQASWNI-HNNXBMFYSA-N 1 2 398.504 -0.691 20 0 GBADLO CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(=O)N1CCOCC1 ZINC000582507340 1072363796 /nfs/dbraw/zinc/36/37/96/1072363796.db2.gz OLQIQXCJQASWNI-HNNXBMFYSA-N 1 2 398.504 -0.691 20 0 GBADLO CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(=O)N1CCOCC1 ZINC000582507341 1072363596 /nfs/dbraw/zinc/36/35/96/1072363596.db2.gz OLQIQXCJQASWNI-OAHLLOKOSA-N 1 2 398.504 -0.691 20 0 GBADLO CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(=O)N1CCOCC1 ZINC000582507341 1072363589 /nfs/dbraw/zinc/36/35/89/1072363589.db2.gz OLQIQXCJQASWNI-OAHLLOKOSA-N 1 2 398.504 -0.691 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568225 1072368460 /nfs/dbraw/zinc/36/84/60/1072368460.db2.gz RHFJXBHFGBXKOI-CABCVRRESA-N 1 2 391.538 -0.333 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568225 1072368450 /nfs/dbraw/zinc/36/84/50/1072368450.db2.gz RHFJXBHFGBXKOI-CABCVRRESA-N 1 2 391.538 -0.333 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568226 1072368231 /nfs/dbraw/zinc/36/82/31/1072368231.db2.gz RHFJXBHFGBXKOI-GJZGRUSLSA-N 1 2 391.538 -0.333 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568226 1072368224 /nfs/dbraw/zinc/36/82/24/1072368224.db2.gz RHFJXBHFGBXKOI-GJZGRUSLSA-N 1 2 391.538 -0.333 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568227 1072368725 /nfs/dbraw/zinc/36/87/25/1072368725.db2.gz RHFJXBHFGBXKOI-HUUCEWRRSA-N 1 2 391.538 -0.333 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568227 1072368721 /nfs/dbraw/zinc/36/87/21/1072368721.db2.gz RHFJXBHFGBXKOI-HUUCEWRRSA-N 1 2 391.538 -0.333 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568228 1072368591 /nfs/dbraw/zinc/36/85/91/1072368591.db2.gz RHFJXBHFGBXKOI-LSDHHAIUSA-N 1 2 391.538 -0.333 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000582568228 1072368585 /nfs/dbraw/zinc/36/85/85/1072368585.db2.gz RHFJXBHFGBXKOI-LSDHHAIUSA-N 1 2 391.538 -0.333 20 0 GBADLO Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000582577601 1072370623 /nfs/dbraw/zinc/37/06/23/1072370623.db2.gz SUCUTLOEAQBPDF-INIZCTEOSA-N 1 2 399.513 -0.267 20 0 GBADLO Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000582577602 1072370599 /nfs/dbraw/zinc/37/05/99/1072370599.db2.gz SUCUTLOEAQBPDF-MRXNPFEDSA-N 1 2 399.513 -0.267 20 0 GBADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)cc1 ZINC000582615546 1072375582 /nfs/dbraw/zinc/37/55/82/1072375582.db2.gz ZGJXVLNQPQNADN-KRWDZBQOSA-N 1 2 398.485 -0.110 20 0 GBADLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH2+][C@]2(C(N)=O)CCOC2)cc1 ZINC000582615547 1072376205 /nfs/dbraw/zinc/37/62/05/1072376205.db2.gz ZGJXVLNQPQNADN-QGZVFWFLSA-N 1 2 398.485 -0.110 20 0 GBADLO CC1(C)C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000582617143 530327659 /nfs/dbraw/zinc/32/76/59/530327659.db2.gz SIEQMMCUICXHNR-UHFFFAOYSA-N 1 2 393.491 -0.528 20 0 GBADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000582621819 530327787 /nfs/dbraw/zinc/32/77/87/530327787.db2.gz SSLZTCQEXQDHCV-GFCCVEGCSA-N 1 2 377.492 -0.717 20 0 GBADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000582621820 530327793 /nfs/dbraw/zinc/32/77/93/530327793.db2.gz SSLZTCQEXQDHCV-LBPRGKRZSA-N 1 2 377.492 -0.717 20 0 GBADLO CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000582623271 1072376786 /nfs/dbraw/zinc/37/67/86/1072376786.db2.gz CGYZYWGZHBGLIG-UHFFFAOYSA-N 1 2 399.498 -0.298 20 0 GBADLO C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000582676523 530327859 /nfs/dbraw/zinc/32/78/59/530327859.db2.gz GPJHQIPYMXAVHT-NFULHVNHSA-N 1 2 398.532 -0.287 20 0 GBADLO C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000582676530 530327880 /nfs/dbraw/zinc/32/78/80/530327880.db2.gz GPJHQIPYMXAVHT-AUWXTCHYSA-N 1 2 398.532 -0.287 20 0 GBADLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000582676531 530327720 /nfs/dbraw/zinc/32/77/20/530327720.db2.gz GPJHQIPYMXAVHT-RUYXUOGBSA-N 1 2 398.532 -0.287 20 0 GBADLO C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000582676532 530327750 /nfs/dbraw/zinc/32/77/50/530327750.db2.gz GPJHQIPYMXAVHT-XJUBTRFSSA-N 1 2 398.532 -0.287 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C[C@H]1C(N)=O ZINC000582677950 530327827 /nfs/dbraw/zinc/32/78/27/530327827.db2.gz YBVZWDXUVPRTIR-GHMZBOCLSA-N 1 2 393.491 -0.685 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000582707360 530328171 /nfs/dbraw/zinc/32/81/71/530328171.db2.gz YBGDZZWBQOQRCE-KFWWJZLASA-N 1 2 375.491 -0.041 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000582707360 530328170 /nfs/dbraw/zinc/32/81/70/530328170.db2.gz YBGDZZWBQOQRCE-KFWWJZLASA-N 1 2 375.491 -0.041 20 0 GBADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000582707361 530328157 /nfs/dbraw/zinc/32/81/57/530328157.db2.gz YBGDZZWBQOQRCE-SOUVJXGZSA-N 1 2 375.491 -0.041 20 0 GBADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000582707361 530328156 /nfs/dbraw/zinc/32/81/56/530328156.db2.gz YBGDZZWBQOQRCE-SOUVJXGZSA-N 1 2 375.491 -0.041 20 0 GBADLO CNS(=O)(=O)NCC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000582732676 1072393494 /nfs/dbraw/zinc/39/34/94/1072393494.db2.gz PUTYTBKFVDHUOJ-UHFFFAOYSA-N 1 2 383.474 -0.657 20 0 GBADLO COC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000582735329 1072393911 /nfs/dbraw/zinc/39/39/11/1072393911.db2.gz DZEHCJWRGXGPNV-DOTOQJQBSA-N 1 2 390.440 -0.407 20 0 GBADLO COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000582735330 1072393854 /nfs/dbraw/zinc/39/38/54/1072393854.db2.gz DZEHCJWRGXGPNV-NVXWUHKLSA-N 1 2 390.440 -0.407 20 0 GBADLO COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000582735331 1072394104 /nfs/dbraw/zinc/39/41/04/1072394104.db2.gz DZEHCJWRGXGPNV-RDJZCZTQSA-N 1 2 390.440 -0.407 20 0 GBADLO COC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000582735332 1072394030 /nfs/dbraw/zinc/39/40/30/1072394030.db2.gz DZEHCJWRGXGPNV-WBVHZDCISA-N 1 2 390.440 -0.407 20 0 GBADLO O=C(CN1CC(=O)NC1=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000582750916 1072396852 /nfs/dbraw/zinc/39/68/52/1072396852.db2.gz NGDLXNVIAJBVPQ-UHFFFAOYSA-N 1 2 386.412 -0.072 20 0 GBADLO Cn1c(=O)c2cc(NC(=O)NC(C)(C)C[NH+]3CCOCC3)cnc2n(C)c1=O ZINC000582774413 1072397601 /nfs/dbraw/zinc/39/76/01/1072397601.db2.gz WPCAEPVZMIIVME-UHFFFAOYSA-N 1 2 390.444 -0.136 20 0 GBADLO Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000582783397 1072399687 /nfs/dbraw/zinc/39/96/87/1072399687.db2.gz LJHYPQLBFIIBOA-UHFFFAOYSA-N 1 2 396.517 -0.291 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000582831695 1072404908 /nfs/dbraw/zinc/40/49/08/1072404908.db2.gz MLCPCVFQFYSCEV-IBGZPJMESA-N 1 2 383.489 -0.036 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000582831695 1072404903 /nfs/dbraw/zinc/40/49/03/1072404903.db2.gz MLCPCVFQFYSCEV-IBGZPJMESA-N 1 2 383.489 -0.036 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000582831696 1072405038 /nfs/dbraw/zinc/40/50/38/1072405038.db2.gz MLCPCVFQFYSCEV-LJQANCHMSA-N 1 2 383.489 -0.036 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000582831696 1072405034 /nfs/dbraw/zinc/40/50/34/1072405034.db2.gz MLCPCVFQFYSCEV-LJQANCHMSA-N 1 2 383.489 -0.036 20 0 GBADLO CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CC(C)(C(N)=O)C2)c(=O)[nH]c1=O ZINC000582842414 1072407602 /nfs/dbraw/zinc/40/76/02/1072407602.db2.gz AFFQSTQXGCAPQC-UHFFFAOYSA-N 1 2 380.449 -0.509 20 0 GBADLO COCCN(C(=O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000582853824 530329134 /nfs/dbraw/zinc/32/91/34/530329134.db2.gz MPIYUVSATSZCGM-KBPBESRZSA-N 1 2 375.491 -0.799 20 0 GBADLO COCCN(C(=O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000582853824 530329131 /nfs/dbraw/zinc/32/91/31/530329131.db2.gz MPIYUVSATSZCGM-KBPBESRZSA-N 1 2 375.491 -0.799 20 0 GBADLO COCCN(C(=O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000582853825 530328911 /nfs/dbraw/zinc/32/89/11/530328911.db2.gz MPIYUVSATSZCGM-KGLIPLIRSA-N 1 2 375.491 -0.799 20 0 GBADLO COCCN(C(=O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000582853825 530328910 /nfs/dbraw/zinc/32/89/10/530328910.db2.gz MPIYUVSATSZCGM-KGLIPLIRSA-N 1 2 375.491 -0.799 20 0 GBADLO COCCN(C(=O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000582853826 530328955 /nfs/dbraw/zinc/32/89/55/530328955.db2.gz MPIYUVSATSZCGM-UONOGXRCSA-N 1 2 375.491 -0.799 20 0 GBADLO COCCN(C(=O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000582853826 530328953 /nfs/dbraw/zinc/32/89/53/530328953.db2.gz MPIYUVSATSZCGM-UONOGXRCSA-N 1 2 375.491 -0.799 20 0 GBADLO COCCN(C(=O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000582853827 530328950 /nfs/dbraw/zinc/32/89/50/530328950.db2.gz MPIYUVSATSZCGM-ZIAGYGMSSA-N 1 2 375.491 -0.799 20 0 GBADLO COCCN(C(=O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000582853827 530328948 /nfs/dbraw/zinc/32/89/48/530328948.db2.gz MPIYUVSATSZCGM-ZIAGYGMSSA-N 1 2 375.491 -0.799 20 0 GBADLO CCN(C)C(=O)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000582858365 1072408597 /nfs/dbraw/zinc/40/85/97/1072408597.db2.gz DRARYLAXZDXSSQ-UHFFFAOYSA-N 1 2 376.457 -0.271 20 0 GBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000582859436 1072408254 /nfs/dbraw/zinc/40/82/54/1072408254.db2.gz LKDRDOWMSHNJSV-UHFFFAOYSA-N 1 2 379.442 -0.386 20 0 GBADLO Cn1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000582867668 1072409622 /nfs/dbraw/zinc/40/96/22/1072409622.db2.gz VTBHKODXGLEZMC-UHFFFAOYSA-N 1 2 379.446 -0.908 20 0 GBADLO CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000582894050 1072412298 /nfs/dbraw/zinc/41/22/98/1072412298.db2.gz VKBZQNLFBZVQNQ-UHFFFAOYSA-N 1 2 382.486 -0.283 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000582931473 1072417814 /nfs/dbraw/zinc/41/78/14/1072417814.db2.gz WJYDSAOSZREYMW-HZMVEIRTSA-N 1 2 395.500 -0.398 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000582931474 1072417940 /nfs/dbraw/zinc/41/79/40/1072417940.db2.gz WJYDSAOSZREYMW-MWDXBVQZSA-N 1 2 395.500 -0.398 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000582931475 1072417927 /nfs/dbraw/zinc/41/79/27/1072417927.db2.gz WJYDSAOSZREYMW-NXOAAHMSSA-N 1 2 395.500 -0.398 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000582931476 1072417768 /nfs/dbraw/zinc/41/77/68/1072417768.db2.gz WJYDSAOSZREYMW-YLFCFFPRSA-N 1 2 395.500 -0.398 20 0 GBADLO CC(C)(C)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000583027192 1072426533 /nfs/dbraw/zinc/42/65/33/1072426533.db2.gz XPANYLAPLOLMTQ-CABCVRRESA-N 1 2 380.489 -0.317 20 0 GBADLO CC(C)(C)N1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000583027193 1072426313 /nfs/dbraw/zinc/42/63/13/1072426313.db2.gz XPANYLAPLOLMTQ-GJZGRUSLSA-N 1 2 380.489 -0.317 20 0 GBADLO CC(C)(C)N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000583027194 1072426453 /nfs/dbraw/zinc/42/64/53/1072426453.db2.gz XPANYLAPLOLMTQ-HUUCEWRRSA-N 1 2 380.489 -0.317 20 0 GBADLO CC(C)(C)N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000583027195 1072426230 /nfs/dbraw/zinc/42/62/30/1072426230.db2.gz XPANYLAPLOLMTQ-LSDHHAIUSA-N 1 2 380.489 -0.317 20 0 GBADLO CC[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000583057815 530329422 /nfs/dbraw/zinc/32/94/22/530329422.db2.gz KUJPPAJNCBCQFO-AWEZNQCLSA-N 1 2 377.511 -0.769 20 0 GBADLO CC[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000583057816 530329330 /nfs/dbraw/zinc/32/93/30/530329330.db2.gz KUJPPAJNCBCQFO-CQSZACIVSA-N 1 2 377.511 -0.769 20 0 GBADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000583106931 1072433142 /nfs/dbraw/zinc/43/31/42/1072433142.db2.gz KCUFEFMKUDRXJC-CYBMUJFWSA-N 1 2 388.534 -0.189 20 0 GBADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000583106931 1072433138 /nfs/dbraw/zinc/43/31/38/1072433138.db2.gz KCUFEFMKUDRXJC-CYBMUJFWSA-N 1 2 388.534 -0.189 20 0 GBADLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000583106937 1072433402 /nfs/dbraw/zinc/43/34/02/1072433402.db2.gz KCUFEFMKUDRXJC-ZDUSSCGKSA-N 1 2 388.534 -0.189 20 0 GBADLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000583106937 1072433398 /nfs/dbraw/zinc/43/33/98/1072433398.db2.gz KCUFEFMKUDRXJC-ZDUSSCGKSA-N 1 2 388.534 -0.189 20 0 GBADLO Cn1c2c(ccn2CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)n(C)c1=O ZINC000583127698 1072434481 /nfs/dbraw/zinc/43/44/81/1072434481.db2.gz GWYDVUCGPDMAOJ-BETUJISGSA-N 1 2 375.429 -0.982 20 0 GBADLO Cn1c2c(ccn2CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)n(C)c1=O ZINC000583127698 1072434477 /nfs/dbraw/zinc/43/44/77/1072434477.db2.gz GWYDVUCGPDMAOJ-BETUJISGSA-N 1 2 375.429 -0.982 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000583161349 1072437931 /nfs/dbraw/zinc/43/79/31/1072437931.db2.gz TXFFRIZTJMRUFC-UHFFFAOYSA-N 1 2 379.505 -0.791 20 0 GBADLO CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(C)C1=O ZINC000583162635 1072438642 /nfs/dbraw/zinc/43/86/42/1072438642.db2.gz LNSZOGYSOLYHDU-HNNXBMFYSA-N 1 2 388.472 -0.008 20 0 GBADLO CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(C)C1=O ZINC000583162636 1072438737 /nfs/dbraw/zinc/43/87/37/1072438737.db2.gz LNSZOGYSOLYHDU-OAHLLOKOSA-N 1 2 388.472 -0.008 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C[C@H]1C ZINC000583189910 1072440581 /nfs/dbraw/zinc/44/05/81/1072440581.db2.gz HWTWRCXYVPFISG-BEFAXECRSA-N 1 2 383.489 -0.038 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C[C@H]1C ZINC000583189910 1072440576 /nfs/dbraw/zinc/44/05/76/1072440576.db2.gz HWTWRCXYVPFISG-BEFAXECRSA-N 1 2 383.489 -0.038 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C[C@H]1C ZINC000583189911 1072440282 /nfs/dbraw/zinc/44/02/82/1072440282.db2.gz HWTWRCXYVPFISG-DNVCBOLYSA-N 1 2 383.489 -0.038 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C[C@H]1C ZINC000583189911 1072440279 /nfs/dbraw/zinc/44/02/79/1072440279.db2.gz HWTWRCXYVPFISG-DNVCBOLYSA-N 1 2 383.489 -0.038 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C[C@@H]1C ZINC000583189912 1072440318 /nfs/dbraw/zinc/44/03/18/1072440318.db2.gz HWTWRCXYVPFISG-HNAYVOBHSA-N 1 2 383.489 -0.038 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C[C@@H]1C ZINC000583189912 1072440314 /nfs/dbraw/zinc/44/03/14/1072440314.db2.gz HWTWRCXYVPFISG-HNAYVOBHSA-N 1 2 383.489 -0.038 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C[C@@H]1C ZINC000583189913 1072440613 /nfs/dbraw/zinc/44/06/13/1072440613.db2.gz HWTWRCXYVPFISG-KXBFYZLASA-N 1 2 383.489 -0.038 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C[C@@H]1C ZINC000583189913 1072440610 /nfs/dbraw/zinc/44/06/10/1072440610.db2.gz HWTWRCXYVPFISG-KXBFYZLASA-N 1 2 383.489 -0.038 20 0 GBADLO CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000583195978 1072441545 /nfs/dbraw/zinc/44/15/45/1072441545.db2.gz IJDKTWIUVIGTTQ-BRWVUGGUSA-N 1 2 385.505 -0.152 20 0 GBADLO CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000583195979 1072441566 /nfs/dbraw/zinc/44/15/66/1072441566.db2.gz IJDKTWIUVIGTTQ-GVDBMIGSSA-N 1 2 385.505 -0.152 20 0 GBADLO CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000583195980 1072441321 /nfs/dbraw/zinc/44/13/21/1072441321.db2.gz IJDKTWIUVIGTTQ-IXDOHACOSA-N 1 2 385.505 -0.152 20 0 GBADLO CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000583195981 1072441531 /nfs/dbraw/zinc/44/15/31/1072441531.db2.gz IJDKTWIUVIGTTQ-YESZJQIVSA-N 1 2 385.505 -0.152 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000583214542 1072443374 /nfs/dbraw/zinc/44/33/74/1072443374.db2.gz GMJCGXCVBKPBFM-UHFFFAOYSA-N 1 2 380.430 -0.682 20 0 GBADLO COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2CCC(S(N)(=O)=O)CC2)c1 ZINC000583217464 1072443285 /nfs/dbraw/zinc/44/32/85/1072443285.db2.gz BXMYCPASGSCNAK-UHFFFAOYSA-N 1 2 398.485 -0.155 20 0 GBADLO CCn1cc(C[N@H+]2CCCN(C(=O)C(=O)Nc3ccc(OC)nn3)CC2)cn1 ZINC000583218163 1072443445 /nfs/dbraw/zinc/44/34/45/1072443445.db2.gz IGYSJHIRAXCFGI-UHFFFAOYSA-N 1 2 387.444 0.375 20 0 GBADLO CCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3ccc(OC)nn3)CC2)cn1 ZINC000583218163 1072443442 /nfs/dbraw/zinc/44/34/42/1072443442.db2.gz IGYSJHIRAXCFGI-UHFFFAOYSA-N 1 2 387.444 0.375 20 0 GBADLO CCOC1CC(CNC(=O)C(=O)NCCCn2cc[nH+]c2)(N2CCOCC2)C1 ZINC000583218769 1072444144 /nfs/dbraw/zinc/44/41/44/1072444144.db2.gz JMOWBCCSUIWAKL-UHFFFAOYSA-N 1 2 393.488 -0.225 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C[C@@H]1[NH+]1CCOCC1 ZINC000583249503 1072446477 /nfs/dbraw/zinc/44/64/77/1072446477.db2.gz SKPOQSIPXQUWAG-FPCVCCKLSA-N 1 2 378.473 -0.707 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C[C@@H]1[NH+]1CCOCC1 ZINC000583249504 1072446319 /nfs/dbraw/zinc/44/63/19/1072446319.db2.gz SKPOQSIPXQUWAG-JJXSEGSLSA-N 1 2 378.473 -0.707 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C[C@H]1[NH+]1CCOCC1 ZINC000583249505 1072446425 /nfs/dbraw/zinc/44/64/25/1072446425.db2.gz SKPOQSIPXQUWAG-KLHDSHLOSA-N 1 2 378.473 -0.707 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C[C@H]1[NH+]1CCOCC1 ZINC000583249506 1072446601 /nfs/dbraw/zinc/44/66/01/1072446601.db2.gz SKPOQSIPXQUWAG-ZJIFWQFVSA-N 1 2 378.473 -0.707 20 0 GBADLO NC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC000583267404 1072448470 /nfs/dbraw/zinc/44/84/70/1072448470.db2.gz VHLUTTIKGBBYOW-UHFFFAOYSA-N 1 2 397.435 -0.384 20 0 GBADLO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000583328945 530331909 /nfs/dbraw/zinc/33/19/09/530331909.db2.gz OCZSUGRFXBZZGE-HNNXBMFYSA-N 1 2 396.579 -0.691 20 0 GBADLO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000583328945 530331906 /nfs/dbraw/zinc/33/19/06/530331906.db2.gz OCZSUGRFXBZZGE-HNNXBMFYSA-N 1 2 396.579 -0.691 20 0 GBADLO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000583328946 530332037 /nfs/dbraw/zinc/33/20/37/530332037.db2.gz OCZSUGRFXBZZGE-OAHLLOKOSA-N 1 2 396.579 -0.691 20 0 GBADLO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000583328946 530332036 /nfs/dbraw/zinc/33/20/36/530332036.db2.gz OCZSUGRFXBZZGE-OAHLLOKOSA-N 1 2 396.579 -0.691 20 0 GBADLO CN(C1(C(N)=O)CCCC1)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000583391900 530107414 /nfs/dbraw/zinc/10/74/14/530107414.db2.gz LLEYQFCJLAINEA-UHFFFAOYSA-N 1 2 393.491 -0.399 20 0 GBADLO CC(=O)N1CCCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000583395054 1072457983 /nfs/dbraw/zinc/45/79/83/1072457983.db2.gz FUYJNPKLOZVUME-KRWDZBQOSA-N 1 2 382.505 -0.070 20 0 GBADLO CC(=O)N1CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000583395055 1072457748 /nfs/dbraw/zinc/45/77/48/1072457748.db2.gz FUYJNPKLOZVUME-QGZVFWFLSA-N 1 2 382.505 -0.070 20 0 GBADLO Cn1cc(CN2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)cn1 ZINC000583431393 1072461892 /nfs/dbraw/zinc/46/18/92/1072461892.db2.gz WLPLVPALVCPGRF-UHFFFAOYSA-N 1 2 399.499 -0.044 20 0 GBADLO COCC(=O)N1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000583445122 1072462439 /nfs/dbraw/zinc/46/24/39/1072462439.db2.gz YLZMXOSDQWYWIM-HNNXBMFYSA-N 1 2 379.461 -0.200 20 0 GBADLO COCC(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000583445122 1072462431 /nfs/dbraw/zinc/46/24/31/1072462431.db2.gz YLZMXOSDQWYWIM-HNNXBMFYSA-N 1 2 379.461 -0.200 20 0 GBADLO COCC(=O)N1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000583445123 1072462710 /nfs/dbraw/zinc/46/27/10/1072462710.db2.gz YLZMXOSDQWYWIM-OAHLLOKOSA-N 1 2 379.461 -0.200 20 0 GBADLO COCC(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000583445123 1072462706 /nfs/dbraw/zinc/46/27/06/1072462706.db2.gz YLZMXOSDQWYWIM-OAHLLOKOSA-N 1 2 379.461 -0.200 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000583503421 1072467386 /nfs/dbraw/zinc/46/73/86/1072467386.db2.gz BIRYZRZDCGCSRX-UHFFFAOYSA-N 1 2 397.501 -0.832 20 0 GBADLO O=C(NCCNC(=O)c1cccnc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000583555382 1072473232 /nfs/dbraw/zinc/47/32/32/1072473232.db2.gz ZDJRLMMOIKDHHG-UHFFFAOYSA-N 1 2 384.440 -0.181 20 0 GBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000583579551 1072476035 /nfs/dbraw/zinc/47/60/35/1072476035.db2.gz VJQSVQMFHKUKPG-OAHLLOKOSA-N 1 2 398.485 -0.151 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000583598333 1072479627 /nfs/dbraw/zinc/47/96/27/1072479627.db2.gz PCRBFFMJUYGOCJ-HNNXBMFYSA-N 1 2 391.538 -0.379 20 0 GBADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000583598334 1072479326 /nfs/dbraw/zinc/47/93/26/1072479326.db2.gz PCRBFFMJUYGOCJ-OAHLLOKOSA-N 1 2 391.538 -0.379 20 0 GBADLO CCS(=O)(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000583620642 530286582 /nfs/dbraw/zinc/28/65/82/530286582.db2.gz QAKIUNJRACDWEU-CQSZACIVSA-N 1 2 383.536 -0.606 20 0 GBADLO CCc1nc(C2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)n[nH]1 ZINC000583669036 1072494549 /nfs/dbraw/zinc/49/45/49/1072494549.db2.gz MXPGCJSEPQLBTR-UHFFFAOYSA-N 1 2 391.520 -0.221 20 0 GBADLO CCc1n[nH]c(C2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)n1 ZINC000583669036 1072494545 /nfs/dbraw/zinc/49/45/45/1072494545.db2.gz MXPGCJSEPQLBTR-UHFFFAOYSA-N 1 2 391.520 -0.221 20 0 GBADLO CCc1nnc(C2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)[nH]1 ZINC000583669036 1072494535 /nfs/dbraw/zinc/49/45/35/1072494535.db2.gz MXPGCJSEPQLBTR-UHFFFAOYSA-N 1 2 391.520 -0.221 20 0 GBADLO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583682981 1072494316 /nfs/dbraw/zinc/49/43/16/1072494316.db2.gz ZDLVAKLVWFQODM-INIZCTEOSA-N 1 2 389.504 -0.677 20 0 GBADLO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583682982 1072494359 /nfs/dbraw/zinc/49/43/59/1072494359.db2.gz ZDLVAKLVWFQODM-MRXNPFEDSA-N 1 2 389.504 -0.677 20 0 GBADLO O=C(CN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1)N1CCCc2ccccc21 ZINC000583683699 1072494398 /nfs/dbraw/zinc/49/43/98/1072494398.db2.gz TWXSUTMFIRDXMN-UHFFFAOYSA-N 1 2 385.468 -0.802 20 0 GBADLO COc1cccc(N2CC[C@@H](CNC(=O)C(=O)N3CCN(C)C[C@H]3C[NH3+])C2)c1 ZINC000583683723 1072494328 /nfs/dbraw/zinc/49/43/28/1072494328.db2.gz XPBIEQZLOPIJNC-DOTOQJQBSA-N 1 2 389.500 -0.261 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2)[NH+]1CCOCC1 ZINC000583766916 1072501988 /nfs/dbraw/zinc/50/19/88/1072501988.db2.gz IPJSMHXKOCQSDV-CABCVRRESA-N 1 2 380.489 -0.223 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2)[NH+]1CCOCC1 ZINC000583766917 1072501970 /nfs/dbraw/zinc/50/19/70/1072501970.db2.gz IPJSMHXKOCQSDV-GJZGRUSLSA-N 1 2 380.489 -0.223 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2)[NH+]1CCOCC1 ZINC000583766918 1072502134 /nfs/dbraw/zinc/50/21/34/1072502134.db2.gz IPJSMHXKOCQSDV-HUUCEWRRSA-N 1 2 380.489 -0.223 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2)[NH+]1CCOCC1 ZINC000583766919 1072501755 /nfs/dbraw/zinc/50/17/55/1072501755.db2.gz IPJSMHXKOCQSDV-LSDHHAIUSA-N 1 2 380.489 -0.223 20 0 GBADLO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000583823229 530339941 /nfs/dbraw/zinc/33/99/41/530339941.db2.gz ONHPBKLWZSCHMZ-CABCVRRESA-N 1 2 382.548 -0.177 20 0 GBADLO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000583823230 530339651 /nfs/dbraw/zinc/33/96/51/530339651.db2.gz ONHPBKLWZSCHMZ-GJZGRUSLSA-N 1 2 382.548 -0.177 20 0 GBADLO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000583823231 530339680 /nfs/dbraw/zinc/33/96/80/530339680.db2.gz ONHPBKLWZSCHMZ-HUUCEWRRSA-N 1 2 382.548 -0.177 20 0 GBADLO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000583823232 530339830 /nfs/dbraw/zinc/33/98/30/530339830.db2.gz ONHPBKLWZSCHMZ-LSDHHAIUSA-N 1 2 382.548 -0.177 20 0 GBADLO COc1cnc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nc1 ZINC000583876526 1072511692 /nfs/dbraw/zinc/51/16/92/1072511692.db2.gz VUWOPFJOVFQSNO-UHFFFAOYSA-N 1 2 397.399 -0.551 20 0 GBADLO COCCn1cc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000583890327 1072513467 /nfs/dbraw/zinc/51/34/67/1072513467.db2.gz BPYFCAOUBCEAKC-DLBZAZTESA-N 1 2 393.488 -0.095 20 0 GBADLO COCCn1cc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000583890328 1072513743 /nfs/dbraw/zinc/51/37/43/1072513743.db2.gz BPYFCAOUBCEAKC-IAGOWNOFSA-N 1 2 393.488 -0.095 20 0 GBADLO COCCn1cc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1 ZINC000583890329 1072513885 /nfs/dbraw/zinc/51/38/85/1072513885.db2.gz BPYFCAOUBCEAKC-IRXDYDNUSA-N 1 2 393.488 -0.095 20 0 GBADLO COCCn1cc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1 ZINC000583890330 1072513304 /nfs/dbraw/zinc/51/33/04/1072513304.db2.gz BPYFCAOUBCEAKC-SJORKVTESA-N 1 2 393.488 -0.095 20 0 GBADLO COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583892860 1072513235 /nfs/dbraw/zinc/51/32/35/1072513235.db2.gz YXTWEVQAVCHUTN-CVEARBPZSA-N 1 2 392.456 -0.333 20 0 GBADLO COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583892861 1072513724 /nfs/dbraw/zinc/51/37/24/1072513724.db2.gz YXTWEVQAVCHUTN-HOTGVXAUSA-N 1 2 392.456 -0.333 20 0 GBADLO COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583892862 1072513447 /nfs/dbraw/zinc/51/34/47/1072513447.db2.gz YXTWEVQAVCHUTN-HZPDHXFCSA-N 1 2 392.456 -0.333 20 0 GBADLO COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583892863 1072514074 /nfs/dbraw/zinc/51/40/74/1072514074.db2.gz YXTWEVQAVCHUTN-JKSUJKDBSA-N 1 2 392.456 -0.333 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000583958682 1072518596 /nfs/dbraw/zinc/51/85/96/1072518596.db2.gz XCZWNCLJRXOYKS-BFQNTYOBSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000583958682 1072518587 /nfs/dbraw/zinc/51/85/87/1072518587.db2.gz XCZWNCLJRXOYKS-BFQNTYOBSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000583958683 1072518569 /nfs/dbraw/zinc/51/85/69/1072518569.db2.gz XCZWNCLJRXOYKS-HSMVNMDESA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000583958683 1072518565 /nfs/dbraw/zinc/51/85/65/1072518565.db2.gz XCZWNCLJRXOYKS-HSMVNMDESA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000583958684 1072518530 /nfs/dbraw/zinc/51/85/30/1072518530.db2.gz XCZWNCLJRXOYKS-WQGACYEGSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000583958684 1072518524 /nfs/dbraw/zinc/51/85/24/1072518524.db2.gz XCZWNCLJRXOYKS-WQGACYEGSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000583958685 1072518135 /nfs/dbraw/zinc/51/81/35/1072518135.db2.gz XCZWNCLJRXOYKS-XHBSWPGZSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000583958685 1072518124 /nfs/dbraw/zinc/51/81/24/1072518124.db2.gz XCZWNCLJRXOYKS-XHBSWPGZSA-N 1 2 383.470 -0.713 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1csc(-c2nc[nH]n2)n1 ZINC000583960321 1072518671 /nfs/dbraw/zinc/51/86/71/1072518671.db2.gz UYJIXQTVFDYSEP-LLVKDONJSA-N 1 2 391.457 -0.409 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1csc(-c2nc[nH]n2)n1 ZINC000583960322 1072518479 /nfs/dbraw/zinc/51/84/79/1072518479.db2.gz UYJIXQTVFDYSEP-NSHDSACASA-N 1 2 391.457 -0.409 20 0 GBADLO CNC(=O)C(C)(C)CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000584067957 1072528594 /nfs/dbraw/zinc/52/85/94/1072528594.db2.gz OWMSTHVARHQWAG-UHFFFAOYSA-N 1 2 389.500 -0.187 20 0 GBADLO O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000584097563 1072530507 /nfs/dbraw/zinc/53/05/07/1072530507.db2.gz VULLRVWBXHVLAD-ARFHVFGLSA-N 1 2 378.473 -0.563 20 0 GBADLO O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000584097564 1072530557 /nfs/dbraw/zinc/53/05/57/1072530557.db2.gz VULLRVWBXHVLAD-BZUAXINKSA-N 1 2 378.473 -0.563 20 0 GBADLO O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000584097565 1072530394 /nfs/dbraw/zinc/53/03/94/1072530394.db2.gz VULLRVWBXHVLAD-HRCADAONSA-N 1 2 378.473 -0.563 20 0 GBADLO O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000584097566 1072424578 /nfs/dbraw/zinc/42/45/78/1072424578.db2.gz VULLRVWBXHVLAD-OWCLPIDISA-N 1 2 378.473 -0.563 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)[NH+]1CCN(C)CC1 ZINC000584101761 1072530289 /nfs/dbraw/zinc/53/02/89/1072530289.db2.gz SQJAWLYOXPOPSM-KRWDZBQOSA-N 1 2 397.564 -0.398 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)[NH+]1CCN(C)CC1 ZINC000584101762 1072530244 /nfs/dbraw/zinc/53/02/44/1072530244.db2.gz SQJAWLYOXPOPSM-QGZVFWFLSA-N 1 2 397.564 -0.398 20 0 GBADLO CCOC(=O)COc1ccc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000584120928 1072532531 /nfs/dbraw/zinc/53/25/31/1072532531.db2.gz PBWXRCAUIISQQQ-UHFFFAOYSA-N 1 2 388.428 -0.041 20 0 GBADLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)N1CCS(=O)(=O)CC1)C(C)(C)CO ZINC000584124513 530089176 /nfs/dbraw/zinc/08/91/76/530089176.db2.gz HSSSBBHTCDDFTJ-LLVKDONJSA-N 1 2 380.492 -0.956 20 0 GBADLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)N1CCS(=O)(=O)CC1)C(C)(C)CO ZINC000584124514 530089203 /nfs/dbraw/zinc/08/92/03/530089203.db2.gz HSSSBBHTCDDFTJ-NSHDSACASA-N 1 2 380.492 -0.956 20 0 GBADLO COC(=O)C1(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCOCC1 ZINC000584133423 1072532461 /nfs/dbraw/zinc/53/24/61/1072532461.db2.gz WOTDFRGCHDICEI-UHFFFAOYSA-N 1 2 395.460 0.307 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000584194730 1072536247 /nfs/dbraw/zinc/53/62/47/1072536247.db2.gz WHGFUQIUTAZWBP-DLBZAZTESA-N 1 2 376.457 -0.200 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000584194731 1072536757 /nfs/dbraw/zinc/53/67/57/1072536757.db2.gz WHGFUQIUTAZWBP-IAGOWNOFSA-N 1 2 376.457 -0.200 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000584194732 1072536680 /nfs/dbraw/zinc/53/66/80/1072536680.db2.gz WHGFUQIUTAZWBP-IRXDYDNUSA-N 1 2 376.457 -0.200 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000584194733 1072535988 /nfs/dbraw/zinc/53/59/88/1072535988.db2.gz WHGFUQIUTAZWBP-SJORKVTESA-N 1 2 376.457 -0.200 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000584201054 530089707 /nfs/dbraw/zinc/08/97/07/530089707.db2.gz APNADRQEWDGLRH-UHFFFAOYSA-N 1 2 375.495 -0.431 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000584201054 530089705 /nfs/dbraw/zinc/08/97/05/530089705.db2.gz APNADRQEWDGLRH-UHFFFAOYSA-N 1 2 375.495 -0.431 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000584245413 1072541629 /nfs/dbraw/zinc/54/16/29/1072541629.db2.gz BPQIRRGBJVRIPQ-BXWFABGCSA-N 1 2 383.489 -0.086 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000584245414 1072541598 /nfs/dbraw/zinc/54/15/98/1072541598.db2.gz BPQIRRGBJVRIPQ-GJYPPUQNSA-N 1 2 383.489 -0.086 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000584245415 1072541470 /nfs/dbraw/zinc/54/14/70/1072541470.db2.gz BPQIRRGBJVRIPQ-JTDSTZFVSA-N 1 2 383.489 -0.086 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000584245416 1072541806 /nfs/dbraw/zinc/54/18/06/1072541806.db2.gz BPQIRRGBJVRIPQ-TXPKVOOTSA-N 1 2 383.489 -0.086 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)CC1 ZINC000584270537 1072542369 /nfs/dbraw/zinc/54/23/69/1072542369.db2.gz KINKOKYIRYFUFG-LBPRGKRZSA-N 1 2 376.413 -0.495 20 0 GBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000584309396 1072544320 /nfs/dbraw/zinc/54/43/20/1072544320.db2.gz CXRPNXQHGIKZKC-QMTMVMCOSA-N 1 2 380.489 -0.269 20 0 GBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000584309397 1072544803 /nfs/dbraw/zinc/54/48/03/1072544803.db2.gz CXRPNXQHGIKZKC-SPYBWZPUSA-N 1 2 380.489 -0.269 20 0 GBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000584309398 1072544649 /nfs/dbraw/zinc/54/46/49/1072544649.db2.gz CXRPNXQHGIKZKC-YZVOILCLSA-N 1 2 380.489 -0.269 20 0 GBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000584309399 1072544569 /nfs/dbraw/zinc/54/45/69/1072544569.db2.gz CXRPNXQHGIKZKC-ZRGWGRIASA-N 1 2 380.489 -0.269 20 0 GBADLO CN(CCN1CCOCC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584309638 1072544339 /nfs/dbraw/zinc/54/43/39/1072544339.db2.gz QILVJVJIMSQCDK-DLBZAZTESA-N 1 2 382.505 -0.463 20 0 GBADLO CN(CCN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584309639 1072544853 /nfs/dbraw/zinc/54/48/53/1072544853.db2.gz QILVJVJIMSQCDK-IAGOWNOFSA-N 1 2 382.505 -0.463 20 0 GBADLO CN(CCN1CCOCC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584309640 1072544696 /nfs/dbraw/zinc/54/46/96/1072544696.db2.gz QILVJVJIMSQCDK-IRXDYDNUSA-N 1 2 382.505 -0.463 20 0 GBADLO CN(CCN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584309641 1072544789 /nfs/dbraw/zinc/54/47/89/1072544789.db2.gz QILVJVJIMSQCDK-SJORKVTESA-N 1 2 382.505 -0.463 20 0 GBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000584313357 1072544469 /nfs/dbraw/zinc/54/44/69/1072544469.db2.gz NMQAAVAPFZJHHJ-GHMZBOCLSA-N 1 2 387.362 -0.016 20 0 GBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000584313358 1072544776 /nfs/dbraw/zinc/54/47/76/1072544776.db2.gz NMQAAVAPFZJHHJ-MNOVXSKESA-N 1 2 387.362 -0.016 20 0 GBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000584313359 1072544667 /nfs/dbraw/zinc/54/46/67/1072544667.db2.gz NMQAAVAPFZJHHJ-QWRGUYRKSA-N 1 2 387.362 -0.016 20 0 GBADLO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000584313360 1072544289 /nfs/dbraw/zinc/54/42/89/1072544289.db2.gz NMQAAVAPFZJHHJ-WDEREUQCSA-N 1 2 387.362 -0.016 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000584355916 1072547207 /nfs/dbraw/zinc/54/72/07/1072547207.db2.gz QTINIJXQMKPJIK-UHFFFAOYSA-N 1 2 383.474 -0.793 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000584355916 1072547197 /nfs/dbraw/zinc/54/71/97/1072547197.db2.gz QTINIJXQMKPJIK-UHFFFAOYSA-N 1 2 383.474 -0.793 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(N2CN=NC2=O)CC1 ZINC000584495894 1072858623 /nfs/dbraw/zinc/85/86/23/1072858623.db2.gz BTXXITGPSKKVTR-AWEZNQCLSA-N 1 2 392.460 -0.672 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(N2CN=NC2=O)CC1 ZINC000584495895 1072859270 /nfs/dbraw/zinc/85/92/70/1072859270.db2.gz BTXXITGPSKKVTR-CQSZACIVSA-N 1 2 392.460 -0.672 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000584563247 1073260680 /nfs/dbraw/zinc/26/06/80/1073260680.db2.gz ANFZXBTZKNGPMY-UHFFFAOYSA-N 1 2 390.425 -0.002 20 0 GBADLO Cn1c[nH+]cc1CNS(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 ZINC000584665337 530344448 /nfs/dbraw/zinc/34/44/48/530344448.db2.gz IYZCTEGLVKNWJZ-UHFFFAOYSA-N 1 2 388.475 -0.724 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(c2nnco2)CC1 ZINC000584681883 1073299141 /nfs/dbraw/zinc/29/91/41/1073299141.db2.gz YWJGUZZSFFUNGH-HNNXBMFYSA-N 1 2 377.445 -0.044 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(c2nnco2)CC1 ZINC000584681884 1073299121 /nfs/dbraw/zinc/29/91/21/1073299121.db2.gz YWJGUZZSFFUNGH-OAHLLOKOSA-N 1 2 377.445 -0.044 20 0 GBADLO CCC1(CC)[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@H]1OC ZINC000584686346 1073299154 /nfs/dbraw/zinc/29/91/54/1073299154.db2.gz QZOWMWGTAXWEHV-ARFHVFGLSA-N 1 2 385.505 -0.152 20 0 GBADLO CCC1(CC)[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1OC ZINC000584686347 1073300520 /nfs/dbraw/zinc/30/05/20/1073300520.db2.gz QZOWMWGTAXWEHV-BZUAXINKSA-N 1 2 385.505 -0.152 20 0 GBADLO CCC1(CC)[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1OC ZINC000584686348 1073300097 /nfs/dbraw/zinc/30/00/97/1073300097.db2.gz QZOWMWGTAXWEHV-OAGGEKHMSA-N 1 2 385.505 -0.152 20 0 GBADLO CCC1(CC)[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1OC ZINC000584686349 1073300125 /nfs/dbraw/zinc/30/01/25/1073300125.db2.gz QZOWMWGTAXWEHV-XHSDSOJGSA-N 1 2 385.505 -0.152 20 0 GBADLO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584686862 1073300489 /nfs/dbraw/zinc/30/04/89/1073300489.db2.gz UYVWPEPWEBBILT-CYBMUJFWSA-N 1 2 377.445 -0.590 20 0 GBADLO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000584686863 1073300019 /nfs/dbraw/zinc/30/00/19/1073300019.db2.gz UYVWPEPWEBBILT-ZDUSSCGKSA-N 1 2 377.445 -0.590 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC000584719195 1073302514 /nfs/dbraw/zinc/30/25/14/1073302514.db2.gz CELSWWKSZGFSPV-DLBZAZTESA-N 1 2 376.457 -0.451 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000584719196 1073302753 /nfs/dbraw/zinc/30/27/53/1073302753.db2.gz CELSWWKSZGFSPV-IAGOWNOFSA-N 1 2 376.457 -0.451 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC000584719197 1073302588 /nfs/dbraw/zinc/30/25/88/1073302588.db2.gz CELSWWKSZGFSPV-IRXDYDNUSA-N 1 2 376.457 -0.451 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000584719198 1073302658 /nfs/dbraw/zinc/30/26/58/1073302658.db2.gz CELSWWKSZGFSPV-SJORKVTESA-N 1 2 376.457 -0.451 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000584736528 1073302996 /nfs/dbraw/zinc/30/29/96/1073302996.db2.gz YRZCFYBXNPVQGV-AWEZNQCLSA-N 1 2 398.485 -0.297 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000584736528 1073302994 /nfs/dbraw/zinc/30/29/94/1073302994.db2.gz YRZCFYBXNPVQGV-AWEZNQCLSA-N 1 2 398.485 -0.297 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000584736529 1073303514 /nfs/dbraw/zinc/30/35/14/1073303514.db2.gz YRZCFYBXNPVQGV-CQSZACIVSA-N 1 2 398.485 -0.297 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN(C)S(=O)(=O)c2cccnc2)C1 ZINC000584736529 1073303511 /nfs/dbraw/zinc/30/35/11/1073303511.db2.gz YRZCFYBXNPVQGV-CQSZACIVSA-N 1 2 398.485 -0.297 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)CN1CC[NH2+]CC1=O ZINC000584778643 1073307072 /nfs/dbraw/zinc/30/70/72/1073307072.db2.gz SJRXMORWBRJQFR-HNNXBMFYSA-N 1 2 376.388 -0.061 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)CN1CC[NH2+]CC1=O ZINC000584778644 1073307503 /nfs/dbraw/zinc/30/75/03/1073307503.db2.gz SJRXMORWBRJQFR-OAHLLOKOSA-N 1 2 376.388 -0.061 20 0 GBADLO COC1CCC(C)(CNC(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000584866593 1073314847 /nfs/dbraw/zinc/31/48/47/1073314847.db2.gz XWNWYQSQEHCBSC-HVEKOLDVSA-N 1 2 398.504 -0.658 20 0 GBADLO COC1CCC(C)(CNC(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000584866593 1073314837 /nfs/dbraw/zinc/31/48/37/1073314837.db2.gz XWNWYQSQEHCBSC-HVEKOLDVSA-N 1 2 398.504 -0.658 20 0 GBADLO COC1CCC(C)(CNC(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000584866600 1073315052 /nfs/dbraw/zinc/31/50/52/1073315052.db2.gz XWNWYQSQEHCBSC-XAUUPUKJSA-N 1 2 398.504 -0.658 20 0 GBADLO COC1CCC(C)(CNC(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000584866600 1073315043 /nfs/dbraw/zinc/31/50/43/1073315043.db2.gz XWNWYQSQEHCBSC-XAUUPUKJSA-N 1 2 398.504 -0.658 20 0 GBADLO O=S(=O)(c1c[nH]cn1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000585478972 1073960762 /nfs/dbraw/zinc/96/07/62/1073960762.db2.gz ICLOBERFTOJWLQ-UHFFFAOYSA-N 1 2 379.446 -0.453 20 0 GBADLO O=S(=O)(c1c[nH]cn1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000585478972 1073960752 /nfs/dbraw/zinc/96/07/52/1073960752.db2.gz ICLOBERFTOJWLQ-UHFFFAOYSA-N 1 2 379.446 -0.453 20 0 GBADLO O=C(CN1CCOC1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000585479256 1073548480 /nfs/dbraw/zinc/54/84/80/1073548480.db2.gz MDYXOMAXGQEJSD-UHFFFAOYSA-N 1 2 376.417 -0.586 20 0 GBADLO O=C(CN1CCOC1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000585479256 1073548468 /nfs/dbraw/zinc/54/84/68/1073548468.db2.gz MDYXOMAXGQEJSD-UHFFFAOYSA-N 1 2 376.417 -0.586 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCN2CCCC2=O)[C@@H](C)C1 ZINC000585681626 1073601598 /nfs/dbraw/zinc/60/15/98/1073601598.db2.gz NRRMRUISTNLTIQ-AWEZNQCLSA-N 1 2 382.461 -0.789 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCN2CCCC2=O)[C@@H](C)C1 ZINC000585681626 1073601594 /nfs/dbraw/zinc/60/15/94/1073601594.db2.gz NRRMRUISTNLTIQ-AWEZNQCLSA-N 1 2 382.461 -0.789 20 0 GBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCN2CCCC2=O)[C@H](C)C1 ZINC000585681632 1073601632 /nfs/dbraw/zinc/60/16/32/1073601632.db2.gz NRRMRUISTNLTIQ-CQSZACIVSA-N 1 2 382.461 -0.789 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCN2CCCC2=O)[C@H](C)C1 ZINC000585681632 1073601628 /nfs/dbraw/zinc/60/16/28/1073601628.db2.gz NRRMRUISTNLTIQ-CQSZACIVSA-N 1 2 382.461 -0.789 20 0 GBADLO CCOC(=O)C1CCC(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000585772139 1073621229 /nfs/dbraw/zinc/62/12/29/1073621229.db2.gz ZIWBXMCNNQYDFF-GPANFISMSA-N 1 2 399.488 -0.624 20 0 GBADLO CCOC(=O)C1CCC(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000585772140 1073621385 /nfs/dbraw/zinc/62/13/85/1073621385.db2.gz ZIWBXMCNNQYDFF-UYSNPLJNSA-N 1 2 399.488 -0.624 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000586876695 530117867 /nfs/dbraw/zinc/11/78/67/530117867.db2.gz KFSOIAQWSYXVPJ-UHFFFAOYSA-N 1 2 377.511 -0.769 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000586876695 530117866 /nfs/dbraw/zinc/11/78/66/530117866.db2.gz KFSOIAQWSYXVPJ-UHFFFAOYSA-N 1 2 377.511 -0.769 20 0 GBADLO C[C@@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[NH+]1CCN(C)CC1 ZINC000588935191 530107125 /nfs/dbraw/zinc/10/71/25/530107125.db2.gz MVYSRVOGFSGBND-JTQLQIEISA-N 1 2 388.266 -0.537 20 0 GBADLO C[C@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[NH+]1CCN(C)CC1 ZINC000588935192 530107171 /nfs/dbraw/zinc/10/71/71/530107171.db2.gz MVYSRVOGFSGBND-SNVBAGLBSA-N 1 2 388.266 -0.537 20 0 GBADLO COC(=O)C[C@@](C)([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccncc1 ZINC000589164799 1073045079 /nfs/dbraw/zinc/04/50/79/1073045079.db2.gz RHTZGBGYSLYUBY-GOSISDBHSA-N 1 2 389.412 -0.688 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000589505163 530132422 /nfs/dbraw/zinc/13/24/22/530132422.db2.gz SPRHTSQGANYQQQ-UHFFFAOYSA-N 1 2 397.548 -0.994 20 0 GBADLO COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000590235713 1073145854 /nfs/dbraw/zinc/14/58/54/1073145854.db2.gz FMSXPKFNEMXMLC-ZIAGYGMSSA-N 1 2 393.444 -0.095 20 0 GBADLO CCN(C(=O)[C@@H](C)N1CC[NH+](CC(C)(C)O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000590320906 530140606 /nfs/dbraw/zinc/14/06/06/530140606.db2.gz NHOVGTQDESVPGY-CABCVRRESA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@H](C)N1CC[NH+](CC(C)(C)O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000590320909 530140646 /nfs/dbraw/zinc/14/06/46/530140646.db2.gz NHOVGTQDESVPGY-GJZGRUSLSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@@H](C)N1CC[NH+](CC(C)(C)O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000590320911 530140401 /nfs/dbraw/zinc/14/04/01/530140401.db2.gz NHOVGTQDESVPGY-HUUCEWRRSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@H](C)N1CC[NH+](CC(C)(C)O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000590320913 530140625 /nfs/dbraw/zinc/14/06/25/530140625.db2.gz NHOVGTQDESVPGY-LSDHHAIUSA-N 1 2 375.535 -0.201 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000590384346 530142130 /nfs/dbraw/zinc/14/21/30/530142130.db2.gz HJNVLFYGMZRBFW-KBPBESRZSA-N 1 2 375.491 -0.894 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000590384346 530142129 /nfs/dbraw/zinc/14/21/29/530142129.db2.gz HJNVLFYGMZRBFW-KBPBESRZSA-N 1 2 375.491 -0.894 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000590384347 530142190 /nfs/dbraw/zinc/14/21/90/530142190.db2.gz HJNVLFYGMZRBFW-KGLIPLIRSA-N 1 2 375.491 -0.894 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000590384347 530142185 /nfs/dbraw/zinc/14/21/85/530142185.db2.gz HJNVLFYGMZRBFW-KGLIPLIRSA-N 1 2 375.491 -0.894 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000590384348 530141667 /nfs/dbraw/zinc/14/16/67/530141667.db2.gz HJNVLFYGMZRBFW-UONOGXRCSA-N 1 2 375.491 -0.894 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000590384348 530141666 /nfs/dbraw/zinc/14/16/66/530141666.db2.gz HJNVLFYGMZRBFW-UONOGXRCSA-N 1 2 375.491 -0.894 20 0 GBADLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000590384349 530142072 /nfs/dbraw/zinc/14/20/72/530142072.db2.gz HJNVLFYGMZRBFW-ZIAGYGMSSA-N 1 2 375.491 -0.894 20 0 GBADLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000590384349 530142071 /nfs/dbraw/zinc/14/20/71/530142071.db2.gz HJNVLFYGMZRBFW-ZIAGYGMSSA-N 1 2 375.491 -0.894 20 0 GBADLO CC(C)(CN=c1[nH]c2ccc(S(N)(=O)=O)cc2[nH]1)[NH+]1CCS(=O)CC1 ZINC000590577460 530151736 /nfs/dbraw/zinc/15/17/36/530151736.db2.gz FRSYBAITDFBGFE-UHFFFAOYSA-N 1 2 385.515 -0.113 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000590640786 530151760 /nfs/dbraw/zinc/15/17/60/530151760.db2.gz SDHFAAJEHADECT-UHFFFAOYSA-N 1 2 377.511 -0.769 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000590640786 530151757 /nfs/dbraw/zinc/15/17/57/530151757.db2.gz SDHFAAJEHADECT-UHFFFAOYSA-N 1 2 377.511 -0.769 20 0 GBADLO O=S(=O)(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCS(=O)(=O)CC1 ZINC000591086487 530153312 /nfs/dbraw/zinc/15/33/12/530153312.db2.gz OJHGJJOAGLGBBV-UHFFFAOYSA-N 1 2 384.483 -0.004 20 0 GBADLO O=S(=O)(NCCC[N@H+]1CCc2ccccc2C1)N1CCS(=O)(=O)CC1 ZINC000591086812 530153710 /nfs/dbraw/zinc/15/37/10/530153710.db2.gz ZZJDJBBGGDCIIC-UHFFFAOYSA-N 1 2 387.527 0.000 20 0 GBADLO O=S(=O)(NCCC[N@@H+]1CCc2ccccc2C1)N1CCS(=O)(=O)CC1 ZINC000591086812 530153707 /nfs/dbraw/zinc/15/37/07/530153707.db2.gz ZZJDJBBGGDCIIC-UHFFFAOYSA-N 1 2 387.527 0.000 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCCS(N)(=O)=O)CC1 ZINC000591372740 530154889 /nfs/dbraw/zinc/15/48/89/530154889.db2.gz XFOLNAYNKBCWJF-UHFFFAOYSA-N 1 2 380.492 -0.334 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCCS(N)(=O)=O)CC1 ZINC000591372740 530154885 /nfs/dbraw/zinc/15/48/85/530154885.db2.gz XFOLNAYNKBCWJF-UHFFFAOYSA-N 1 2 380.492 -0.334 20 0 GBADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000591373364 530154838 /nfs/dbraw/zinc/15/48/38/530154838.db2.gz FHXYNQUFVJXPSJ-AWEZNQCLSA-N 1 2 376.523 -0.237 20 0 GBADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000591373364 530154837 /nfs/dbraw/zinc/15/48/37/530154837.db2.gz FHXYNQUFVJXPSJ-AWEZNQCLSA-N 1 2 376.523 -0.237 20 0 GBADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000591373365 530154804 /nfs/dbraw/zinc/15/48/04/530154804.db2.gz FHXYNQUFVJXPSJ-CQSZACIVSA-N 1 2 376.523 -0.237 20 0 GBADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000591373365 530154802 /nfs/dbraw/zinc/15/48/02/530154802.db2.gz FHXYNQUFVJXPSJ-CQSZACIVSA-N 1 2 376.523 -0.237 20 0 GBADLO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000591373473 530154866 /nfs/dbraw/zinc/15/48/66/530154866.db2.gz WKXJEAQVTHFGHR-UHFFFAOYSA-N 1 2 382.552 -0.208 20 0 GBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591633931 530155510 /nfs/dbraw/zinc/15/55/10/530155510.db2.gz RADUSTNZSMHLSQ-KBPBESRZSA-N 1 2 377.511 -0.771 20 0 GBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591633932 530155562 /nfs/dbraw/zinc/15/55/62/530155562.db2.gz RADUSTNZSMHLSQ-KGLIPLIRSA-N 1 2 377.511 -0.771 20 0 GBADLO C[C@H]([C@H](C)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000591633933 530155548 /nfs/dbraw/zinc/15/55/48/530155548.db2.gz RADUSTNZSMHLSQ-UONOGXRCSA-N 1 2 377.511 -0.771 20 0 GBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000591633935 530155325 /nfs/dbraw/zinc/15/53/25/530155325.db2.gz RADUSTNZSMHLSQ-ZIAGYGMSSA-N 1 2 377.511 -0.771 20 0 GBADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)C[C@H](OC)C2CCOCC2)CC1 ZINC000592021149 530156921 /nfs/dbraw/zinc/15/69/21/530156921.db2.gz WRQMDHDEVQPSBQ-HNNXBMFYSA-N 1 2 378.491 -0.062 20 0 GBADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)C[C@@H](OC)C2CCOCC2)CC1 ZINC000592021150 530157216 /nfs/dbraw/zinc/15/72/16/530157216.db2.gz WRQMDHDEVQPSBQ-OAHLLOKOSA-N 1 2 378.491 -0.062 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000592559172 530159305 /nfs/dbraw/zinc/15/93/05/530159305.db2.gz ZLQWYLVUDLIXML-CABCVRRESA-N 1 2 375.539 -0.264 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000592559173 530159351 /nfs/dbraw/zinc/15/93/51/530159351.db2.gz ZLQWYLVUDLIXML-GJZGRUSLSA-N 1 2 375.539 -0.264 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000592559174 530159475 /nfs/dbraw/zinc/15/94/75/530159475.db2.gz ZLQWYLVUDLIXML-HUUCEWRRSA-N 1 2 375.539 -0.264 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000592559175 530159403 /nfs/dbraw/zinc/15/94/03/530159403.db2.gz ZLQWYLVUDLIXML-LSDHHAIUSA-N 1 2 375.539 -0.264 20 0 GBADLO CC(C)(C)C[N@@H+](CCO)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000592894919 530159925 /nfs/dbraw/zinc/15/99/25/530159925.db2.gz AUHNXDXPXRMGOM-HNNXBMFYSA-N 1 2 375.535 -0.342 20 0 GBADLO CC(C)(C)C[N@H+](CCO)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000592894919 530159922 /nfs/dbraw/zinc/15/99/22/530159922.db2.gz AUHNXDXPXRMGOM-HNNXBMFYSA-N 1 2 375.535 -0.342 20 0 GBADLO CC(C)(C)C[N@@H+](CCO)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000592894920 530160346 /nfs/dbraw/zinc/16/03/46/530160346.db2.gz AUHNXDXPXRMGOM-OAHLLOKOSA-N 1 2 375.535 -0.342 20 0 GBADLO CC(C)(C)C[N@H+](CCO)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000592894920 530160344 /nfs/dbraw/zinc/16/03/44/530160344.db2.gz AUHNXDXPXRMGOM-OAHLLOKOSA-N 1 2 375.535 -0.342 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100706 530160744 /nfs/dbraw/zinc/16/07/44/530160744.db2.gz HXJURBHOOSISBX-ZBWYFNLNSA-N 1 2 383.495 -0.183 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100706 530160741 /nfs/dbraw/zinc/16/07/41/530160741.db2.gz HXJURBHOOSISBX-ZBWYFNLNSA-N 1 2 383.495 -0.183 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100707 530160737 /nfs/dbraw/zinc/16/07/37/530160737.db2.gz HXJURBHOOSISBX-ZOIRZKHYSA-N 1 2 383.495 -0.183 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100707 530160735 /nfs/dbraw/zinc/16/07/35/530160735.db2.gz HXJURBHOOSISBX-ZOIRZKHYSA-N 1 2 383.495 -0.183 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100708 530160853 /nfs/dbraw/zinc/16/08/53/530160853.db2.gz HXJURBHOOSISBX-IQUPCCRDSA-N 1 2 383.495 -0.183 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100708 530160849 /nfs/dbraw/zinc/16/08/49/530160849.db2.gz HXJURBHOOSISBX-IQUPCCRDSA-N 1 2 383.495 -0.183 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100709 530161065 /nfs/dbraw/zinc/16/10/65/530161065.db2.gz HXJURBHOOSISBX-NDMLFSPDSA-N 1 2 383.495 -0.183 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100709 530161062 /nfs/dbraw/zinc/16/10/62/530161062.db2.gz HXJURBHOOSISBX-NDMLFSPDSA-N 1 2 383.495 -0.183 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000593342569 530160718 /nfs/dbraw/zinc/16/07/18/530160718.db2.gz AAYDEMLXALSZMG-CYBMUJFWSA-N 1 2 380.536 -0.615 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000593342572 530161007 /nfs/dbraw/zinc/16/10/07/530161007.db2.gz AAYDEMLXALSZMG-ZDUSSCGKSA-N 1 2 380.536 -0.615 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 ZINC000593524225 530161352 /nfs/dbraw/zinc/16/13/52/530161352.db2.gz ZNGNXOVXFFMTDU-UHFFFAOYSA-N 1 2 394.563 -0.225 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 ZINC000593524225 530161350 /nfs/dbraw/zinc/16/13/50/530161350.db2.gz ZNGNXOVXFFMTDU-UHFFFAOYSA-N 1 2 394.563 -0.225 20 0 GBADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCSCC1)[C@H](C)[NH+]1CCOCC1 ZINC000593527239 530161305 /nfs/dbraw/zinc/16/13/05/530161305.db2.gz NFWJLDXILHRFGO-KBPBESRZSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCSCC1)[C@H](C)[NH+]1CCOCC1 ZINC000593527240 530161293 /nfs/dbraw/zinc/16/12/93/530161293.db2.gz NFWJLDXILHRFGO-KGLIPLIRSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@H]([C@H](C)NC(=O)NCCS(=O)(=O)N1CCSCC1)[NH+]1CCOCC1 ZINC000593527241 530161290 /nfs/dbraw/zinc/16/12/90/530161290.db2.gz NFWJLDXILHRFGO-UONOGXRCSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCSCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000593527242 530161538 /nfs/dbraw/zinc/16/15/38/530161538.db2.gz NFWJLDXILHRFGO-ZIAGYGMSSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000593527267 530161358 /nfs/dbraw/zinc/16/13/58/530161358.db2.gz UYHWYJLDMAOBJO-CYBMUJFWSA-N 1 2 380.536 -0.615 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000593527267 530161356 /nfs/dbraw/zinc/16/13/56/530161356.db2.gz UYHWYJLDMAOBJO-CYBMUJFWSA-N 1 2 380.536 -0.615 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000593527268 530161565 /nfs/dbraw/zinc/16/15/65/530161565.db2.gz UYHWYJLDMAOBJO-ZDUSSCGKSA-N 1 2 380.536 -0.615 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000593527268 530161563 /nfs/dbraw/zinc/16/15/63/530161563.db2.gz UYHWYJLDMAOBJO-ZDUSSCGKSA-N 1 2 380.536 -0.615 20 0 GBADLO COCCOCC[NH+]1CCN(S(=O)(=O)c2c[nH]c(C(=O)OC)c2)CC1 ZINC000593665664 530162527 /nfs/dbraw/zinc/16/25/27/530162527.db2.gz DPULEQFMRCTQJP-UHFFFAOYSA-N 1 2 375.447 -0.229 20 0 GBADLO COCCOCC[NH+]1CCN(S(=O)(=O)CC2(C(=O)OC)CCC2)CC1 ZINC000593667772 530162513 /nfs/dbraw/zinc/16/25/13/530162513.db2.gz YTUSPGFKVRIGRE-UHFFFAOYSA-N 1 2 378.491 -0.060 20 0 GBADLO CCOC(=O)CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000594047111 530163801 /nfs/dbraw/zinc/16/38/01/530163801.db2.gz DUVJGWMICVYZMJ-GFCCVEGCSA-N 1 2 377.463 -0.337 20 0 GBADLO CCOC(=O)CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000594047111 530163797 /nfs/dbraw/zinc/16/37/97/530163797.db2.gz DUVJGWMICVYZMJ-GFCCVEGCSA-N 1 2 377.463 -0.337 20 0 GBADLO CCOC(=O)CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000594047112 530163627 /nfs/dbraw/zinc/16/36/27/530163627.db2.gz DUVJGWMICVYZMJ-LBPRGKRZSA-N 1 2 377.463 -0.337 20 0 GBADLO CCOC(=O)CC[N@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000594047112 530163624 /nfs/dbraw/zinc/16/36/24/530163624.db2.gz DUVJGWMICVYZMJ-LBPRGKRZSA-N 1 2 377.463 -0.337 20 0 GBADLO COC(=O)c1cc(OC)c(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)s1 ZINC000594478963 530164791 /nfs/dbraw/zinc/16/47/91/530164791.db2.gz YWEJZUSZSWXFKK-VHSXEESVSA-N 1 2 376.456 -0.017 20 0 GBADLO COC(=O)c1cc(OC)c(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)s1 ZINC000594478963 530164788 /nfs/dbraw/zinc/16/47/88/530164788.db2.gz YWEJZUSZSWXFKK-VHSXEESVSA-N 1 2 376.456 -0.017 20 0 GBADLO COC(=O)[C@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000594636325 530167602 /nfs/dbraw/zinc/16/76/02/530167602.db2.gz XXDJPKSERRGPIX-CYBMUJFWSA-N 1 2 394.475 -0.244 20 0 GBADLO COC(=O)[C@@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000594636326 530167421 /nfs/dbraw/zinc/16/74/21/530167421.db2.gz XXDJPKSERRGPIX-ZDUSSCGKSA-N 1 2 394.475 -0.244 20 0 GBADLO COC(=O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000594637879 530167763 /nfs/dbraw/zinc/16/77/63/530167763.db2.gz OWRFHOUKSMTEME-JTQLQIEISA-N 1 2 380.448 -0.634 20 0 GBADLO COC(=O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000594637880 530167483 /nfs/dbraw/zinc/16/74/83/530167483.db2.gz OWRFHOUKSMTEME-SNVBAGLBSA-N 1 2 380.448 -0.634 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000594761570 530167896 /nfs/dbraw/zinc/16/78/96/530167896.db2.gz QGOGEEHJDQDUPY-KKUMJFAQSA-N 1 2 378.491 -0.063 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000594761572 530168192 /nfs/dbraw/zinc/16/81/92/530168192.db2.gz QGOGEEHJDQDUPY-RRFJBIMHSA-N 1 2 378.491 -0.063 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000594761573 530168325 /nfs/dbraw/zinc/16/83/25/530168325.db2.gz QGOGEEHJDQDUPY-SOUVJXGZSA-N 1 2 378.491 -0.063 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000594761574 530168408 /nfs/dbraw/zinc/16/84/08/530168408.db2.gz QGOGEEHJDQDUPY-ZNMIVQPWSA-N 1 2 378.491 -0.063 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)[C@H](C)C1 ZINC000594773718 530168227 /nfs/dbraw/zinc/16/82/27/530168227.db2.gz UGUWICYVBSHMSR-ILXRZTDVSA-N 1 2 378.491 -0.063 20 0 GBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)[C@H](C)C1 ZINC000594773718 530168223 /nfs/dbraw/zinc/16/82/23/530168223.db2.gz UGUWICYVBSHMSR-ILXRZTDVSA-N 1 2 378.491 -0.063 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)[C@H](C)C1 ZINC000594773720 530167949 /nfs/dbraw/zinc/16/79/49/530167949.db2.gz UGUWICYVBSHMSR-KFWWJZLASA-N 1 2 378.491 -0.063 20 0 GBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)[C@H](C)C1 ZINC000594773720 530167946 /nfs/dbraw/zinc/16/79/46/530167946.db2.gz UGUWICYVBSHMSR-KFWWJZLASA-N 1 2 378.491 -0.063 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)[C@@H](C)C1 ZINC000594773723 530167960 /nfs/dbraw/zinc/16/79/60/530167960.db2.gz UGUWICYVBSHMSR-KKUMJFAQSA-N 1 2 378.491 -0.063 20 0 GBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)[C@@H](C)C1 ZINC000594773723 530167957 /nfs/dbraw/zinc/16/79/57/530167957.db2.gz UGUWICYVBSHMSR-KKUMJFAQSA-N 1 2 378.491 -0.063 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)[C@@H](C)C1 ZINC000594773726 530168142 /nfs/dbraw/zinc/16/81/42/530168142.db2.gz UGUWICYVBSHMSR-ZNMIVQPWSA-N 1 2 378.491 -0.063 20 0 GBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)[C@@H](C)C1 ZINC000594773726 530168138 /nfs/dbraw/zinc/16/81/38/530168138.db2.gz UGUWICYVBSHMSR-ZNMIVQPWSA-N 1 2 378.491 -0.063 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@@H]([N@H+]2CCCN(S(C)(=O)=O)CC2)C1=O ZINC000595290403 530171745 /nfs/dbraw/zinc/17/17/45/530171745.db2.gz ANYCDEDBUYIQTL-CYBMUJFWSA-N 1 2 375.491 -0.104 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@@H]([N@@H+]2CCCN(S(C)(=O)=O)CC2)C1=O ZINC000595290403 530171742 /nfs/dbraw/zinc/17/17/42/530171742.db2.gz ANYCDEDBUYIQTL-CYBMUJFWSA-N 1 2 375.491 -0.104 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@H]([N@H+]2CCCN(S(C)(=O)=O)CC2)C1=O ZINC000595290404 530171760 /nfs/dbraw/zinc/17/17/60/530171760.db2.gz ANYCDEDBUYIQTL-ZDUSSCGKSA-N 1 2 375.491 -0.104 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@H]([N@@H+]2CCCN(S(C)(=O)=O)CC2)C1=O ZINC000595290404 530171757 /nfs/dbraw/zinc/17/17/57/530171757.db2.gz ANYCDEDBUYIQTL-ZDUSSCGKSA-N 1 2 375.491 -0.104 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@@H]([N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000595302164 530171991 /nfs/dbraw/zinc/17/19/91/530171991.db2.gz SIKRKXBPKGVMCW-CHWSQXEVSA-N 1 2 375.491 -0.057 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@@H]([N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000595302164 530171988 /nfs/dbraw/zinc/17/19/88/530171988.db2.gz SIKRKXBPKGVMCW-CHWSQXEVSA-N 1 2 375.491 -0.057 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@H]([N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000595302165 530171847 /nfs/dbraw/zinc/17/18/47/530171847.db2.gz SIKRKXBPKGVMCW-OLZOCXBDSA-N 1 2 375.491 -0.057 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@H]([N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000595302165 530171844 /nfs/dbraw/zinc/17/18/44/530171844.db2.gz SIKRKXBPKGVMCW-OLZOCXBDSA-N 1 2 375.491 -0.057 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@@H]([N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000595302166 530171701 /nfs/dbraw/zinc/17/17/01/530171701.db2.gz SIKRKXBPKGVMCW-QWHCGFSZSA-N 1 2 375.491 -0.057 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@@H]([N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000595302166 530171699 /nfs/dbraw/zinc/17/16/99/530171699.db2.gz SIKRKXBPKGVMCW-QWHCGFSZSA-N 1 2 375.491 -0.057 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@H]([N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000595302167 530171798 /nfs/dbraw/zinc/17/17/98/530171798.db2.gz SIKRKXBPKGVMCW-STQMWFEESA-N 1 2 375.491 -0.057 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@H]([N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000595302167 530171795 /nfs/dbraw/zinc/17/17/95/530171795.db2.gz SIKRKXBPKGVMCW-STQMWFEESA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)C1CC[NH+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000595316740 530172131 /nfs/dbraw/zinc/17/21/31/530172131.db2.gz JNBPMVGEMWNQND-CYBMUJFWSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)C1CC[NH+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000595316741 530172040 /nfs/dbraw/zinc/17/20/40/530172040.db2.gz JNBPMVGEMWNQND-ZDUSSCGKSA-N 1 2 375.491 -0.057 20 0 GBADLO C[N@@H+](CCN1CCCS1(=O)=O)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334135 530171665 /nfs/dbraw/zinc/17/16/65/530171665.db2.gz WHILUXBLTUAIKY-CYBMUJFWSA-N 1 2 375.491 -0.104 20 0 GBADLO C[N@H+](CCN1CCCS1(=O)=O)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334135 530171663 /nfs/dbraw/zinc/17/16/63/530171663.db2.gz WHILUXBLTUAIKY-CYBMUJFWSA-N 1 2 375.491 -0.104 20 0 GBADLO C[N@@H+](CCN1CCCS1(=O)=O)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334137 530171639 /nfs/dbraw/zinc/17/16/39/530171639.db2.gz WHILUXBLTUAIKY-ZDUSSCGKSA-N 1 2 375.491 -0.104 20 0 GBADLO C[N@H+](CCN1CCCS1(=O)=O)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334137 530171636 /nfs/dbraw/zinc/17/16/36/530171636.db2.gz WHILUXBLTUAIKY-ZDUSSCGKSA-N 1 2 375.491 -0.104 20 0 GBADLO COC(=O)CCN(C)S(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000595338956 530172061 /nfs/dbraw/zinc/17/20/61/530172061.db2.gz UXOXUKZNKDFHEE-UHFFFAOYSA-N 1 2 379.479 -0.803 20 0 GBADLO COC(=O)CCN1CCC[C@H]([NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)C1=O ZINC000595355333 1073450250 /nfs/dbraw/zinc/45/02/50/1073450250.db2.gz BGBYICZUDGEEKE-HNNXBMFYSA-N 1 2 389.456 -0.143 20 0 GBADLO COC(=O)CCN(C)S(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000595359402 530172151 /nfs/dbraw/zinc/17/21/51/530172151.db2.gz HZUMTVQWDPULSO-ZIAGYGMSSA-N 1 2 375.491 -0.041 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595370799 530172083 /nfs/dbraw/zinc/17/20/83/530172083.db2.gz JPGXLQLYTCLZOK-CHWSQXEVSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595370799 530172080 /nfs/dbraw/zinc/17/20/80/530172080.db2.gz JPGXLQLYTCLZOK-CHWSQXEVSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595370802 530172700 /nfs/dbraw/zinc/17/27/00/530172700.db2.gz JPGXLQLYTCLZOK-OLZOCXBDSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595370802 530172696 /nfs/dbraw/zinc/17/26/96/530172696.db2.gz JPGXLQLYTCLZOK-OLZOCXBDSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595370804 530172926 /nfs/dbraw/zinc/17/29/26/530172926.db2.gz JPGXLQLYTCLZOK-QWHCGFSZSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595370804 530172923 /nfs/dbraw/zinc/17/29/23/530172923.db2.gz JPGXLQLYTCLZOK-QWHCGFSZSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595370807 530172432 /nfs/dbraw/zinc/17/24/32/530172432.db2.gz JPGXLQLYTCLZOK-STQMWFEESA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595370807 530172431 /nfs/dbraw/zinc/17/24/31/530172431.db2.gz JPGXLQLYTCLZOK-STQMWFEESA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595384783 530172407 /nfs/dbraw/zinc/17/24/07/530172407.db2.gz NOPPWGCMDJXJNN-CHWSQXEVSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595384783 530172404 /nfs/dbraw/zinc/17/24/04/530172404.db2.gz NOPPWGCMDJXJNN-CHWSQXEVSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595384784 530172542 /nfs/dbraw/zinc/17/25/42/530172542.db2.gz NOPPWGCMDJXJNN-OLZOCXBDSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595384784 530172539 /nfs/dbraw/zinc/17/25/39/530172539.db2.gz NOPPWGCMDJXJNN-OLZOCXBDSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595384785 530172622 /nfs/dbraw/zinc/17/26/22/530172622.db2.gz NOPPWGCMDJXJNN-QWHCGFSZSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595384785 530172621 /nfs/dbraw/zinc/17/26/21/530172621.db2.gz NOPPWGCMDJXJNN-QWHCGFSZSA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595384786 530172390 /nfs/dbraw/zinc/17/23/90/530172390.db2.gz NOPPWGCMDJXJNN-STQMWFEESA-N 1 2 375.491 -0.057 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595384786 530172387 /nfs/dbraw/zinc/17/23/87/530172387.db2.gz NOPPWGCMDJXJNN-STQMWFEESA-N 1 2 375.491 -0.057 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@@H]([NH+]2CCC(CS(N)(=O)=O)CC2)C1=O ZINC000595397633 530172915 /nfs/dbraw/zinc/17/29/15/530172915.db2.gz MSFLGHAVEOPXII-CYBMUJFWSA-N 1 2 375.491 -0.071 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@H]([NH+]2CCC(CS(N)(=O)=O)CC2)C1=O ZINC000595397634 530172462 /nfs/dbraw/zinc/17/24/62/530172462.db2.gz MSFLGHAVEOPXII-ZDUSSCGKSA-N 1 2 375.491 -0.071 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595407822 530172737 /nfs/dbraw/zinc/17/27/37/530172737.db2.gz GVNHNCHFNNUSHF-CHWSQXEVSA-N 1 2 375.491 -0.057 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595407822 530172736 /nfs/dbraw/zinc/17/27/36/530172736.db2.gz GVNHNCHFNNUSHF-CHWSQXEVSA-N 1 2 375.491 -0.057 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595407823 530172523 /nfs/dbraw/zinc/17/25/23/530172523.db2.gz GVNHNCHFNNUSHF-OLZOCXBDSA-N 1 2 375.491 -0.057 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595407823 530172521 /nfs/dbraw/zinc/17/25/21/530172521.db2.gz GVNHNCHFNNUSHF-OLZOCXBDSA-N 1 2 375.491 -0.057 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595407824 530172952 /nfs/dbraw/zinc/17/29/52/530172952.db2.gz GVNHNCHFNNUSHF-QWHCGFSZSA-N 1 2 375.491 -0.057 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595407824 530172948 /nfs/dbraw/zinc/17/29/48/530172948.db2.gz GVNHNCHFNNUSHF-QWHCGFSZSA-N 1 2 375.491 -0.057 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595407825 530172590 /nfs/dbraw/zinc/17/25/90/530172590.db2.gz GVNHNCHFNNUSHF-STQMWFEESA-N 1 2 375.491 -0.057 20 0 GBADLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595407825 530172588 /nfs/dbraw/zinc/17/25/88/530172588.db2.gz GVNHNCHFNNUSHF-STQMWFEESA-N 1 2 375.491 -0.057 20 0 GBADLO C[N@@H+]([C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595500698 530172752 /nfs/dbraw/zinc/17/27/52/530172752.db2.gz HHMQBTCFUXIAPG-CHWSQXEVSA-N 1 2 375.491 -0.105 20 0 GBADLO C[N@H+]([C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595500698 530172749 /nfs/dbraw/zinc/17/27/49/530172749.db2.gz HHMQBTCFUXIAPG-CHWSQXEVSA-N 1 2 375.491 -0.105 20 0 GBADLO C[N@@H+]([C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595500699 530172941 /nfs/dbraw/zinc/17/29/41/530172941.db2.gz HHMQBTCFUXIAPG-OLZOCXBDSA-N 1 2 375.491 -0.105 20 0 GBADLO C[N@H+]([C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595500699 530172939 /nfs/dbraw/zinc/17/29/39/530172939.db2.gz HHMQBTCFUXIAPG-OLZOCXBDSA-N 1 2 375.491 -0.105 20 0 GBADLO C[N@H+]([C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000595500700 530172642 /nfs/dbraw/zinc/17/26/42/530172642.db2.gz HHMQBTCFUXIAPG-QWHCGFSZSA-N 1 2 375.491 -0.105 20 0 GBADLO C[N@@H+]([C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000595500700 530172637 /nfs/dbraw/zinc/17/26/37/530172637.db2.gz HHMQBTCFUXIAPG-QWHCGFSZSA-N 1 2 375.491 -0.105 20 0 GBADLO C[N@@H+]([C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595501101 530172615 /nfs/dbraw/zinc/17/26/15/530172615.db2.gz HHMQBTCFUXIAPG-STQMWFEESA-N 1 2 375.491 -0.105 20 0 GBADLO C[N@H+]([C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595501101 530172611 /nfs/dbraw/zinc/17/26/11/530172611.db2.gz HHMQBTCFUXIAPG-STQMWFEESA-N 1 2 375.491 -0.105 20 0 GBADLO COC(=O)Cn1cc(CC[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)nn1 ZINC000595627334 530173613 /nfs/dbraw/zinc/17/36/13/530173613.db2.gz ZEJVHOVAMIUZCB-QWRGUYRKSA-N 1 2 384.380 -0.099 20 0 GBADLO COC(=O)Cn1cc(CC[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)nn1 ZINC000595627334 530173604 /nfs/dbraw/zinc/17/36/04/530173604.db2.gz ZEJVHOVAMIUZCB-QWRGUYRKSA-N 1 2 384.380 -0.099 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)CC1 ZINC000595761886 530173491 /nfs/dbraw/zinc/17/34/91/530173491.db2.gz JDLDDAXDJZIJBR-CHWSQXEVSA-N 1 2 375.491 -0.248 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)CC1 ZINC000595761886 530173487 /nfs/dbraw/zinc/17/34/87/530173487.db2.gz JDLDDAXDJZIJBR-CHWSQXEVSA-N 1 2 375.491 -0.248 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)CC1 ZINC000595761902 530173519 /nfs/dbraw/zinc/17/35/19/530173519.db2.gz JDLDDAXDJZIJBR-OLZOCXBDSA-N 1 2 375.491 -0.248 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)CC1 ZINC000595761902 530173515 /nfs/dbraw/zinc/17/35/15/530173515.db2.gz JDLDDAXDJZIJBR-OLZOCXBDSA-N 1 2 375.491 -0.248 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@H]21 ZINC000595788874 530173434 /nfs/dbraw/zinc/17/34/34/530173434.db2.gz KMGPIBRVXDXLLP-QEYWKRMJSA-N 1 2 387.380 -0.493 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@H]21 ZINC000595788874 530173433 /nfs/dbraw/zinc/17/34/33/530173433.db2.gz KMGPIBRVXDXLLP-QEYWKRMJSA-N 1 2 387.380 -0.493 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@H]21 ZINC000595788875 530173589 /nfs/dbraw/zinc/17/35/89/530173589.db2.gz KMGPIBRVXDXLLP-RGOKHQFPSA-N 1 2 387.380 -0.493 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@H]21 ZINC000595788875 530173585 /nfs/dbraw/zinc/17/35/85/530173585.db2.gz KMGPIBRVXDXLLP-RGOKHQFPSA-N 1 2 387.380 -0.493 20 0 GBADLO COCCN(C(=O)C[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000595851705 530173150 /nfs/dbraw/zinc/17/31/50/530173150.db2.gz IWSZZMSZGKOWLQ-MCIONIFRSA-N 1 2 376.475 -0.468 20 0 GBADLO COCCN(C(=O)C[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000595851705 530173146 /nfs/dbraw/zinc/17/31/46/530173146.db2.gz IWSZZMSZGKOWLQ-MCIONIFRSA-N 1 2 376.475 -0.468 20 0 GBADLO COCCN(C(=O)C[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000595851706 530173321 /nfs/dbraw/zinc/17/33/21/530173321.db2.gz IWSZZMSZGKOWLQ-MELADBBJSA-N 1 2 376.475 -0.468 20 0 GBADLO COCCN(C(=O)C[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000595851706 530173318 /nfs/dbraw/zinc/17/33/18/530173318.db2.gz IWSZZMSZGKOWLQ-MELADBBJSA-N 1 2 376.475 -0.468 20 0 GBADLO COC(=O)CN(C)C(=O)CC[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595883801 530174038 /nfs/dbraw/zinc/17/40/38/530174038.db2.gz FXTKZGHPDKTYJU-UHFFFAOYSA-N 1 2 375.472 -0.225 20 0 GBADLO COC(=O)CN(C)C(=O)CC[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595883801 530174035 /nfs/dbraw/zinc/17/40/35/530174035.db2.gz FXTKZGHPDKTYJU-UHFFFAOYSA-N 1 2 375.472 -0.225 20 0 GBADLO COC(=O)Cn1cc(CC[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)nn1 ZINC000595884755 530174128 /nfs/dbraw/zinc/17/41/28/530174128.db2.gz LKAYEZRGNDEBJT-UHFFFAOYSA-N 1 2 385.471 -0.239 20 0 GBADLO COC(=O)Cn1cc(CC[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)nn1 ZINC000595884755 530174124 /nfs/dbraw/zinc/17/41/24/530174124.db2.gz LKAYEZRGNDEBJT-UHFFFAOYSA-N 1 2 385.471 -0.239 20 0 GBADLO COC(=O)c1ncoc1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000597259865 1073498038 /nfs/dbraw/zinc/49/80/38/1073498038.db2.gz JZXZHLOPBOEHDB-CYBMUJFWSA-N 1 2 394.428 -0.557 20 0 GBADLO Cn1c[nH+]c(CCNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)c1 ZINC000597343960 1073498788 /nfs/dbraw/zinc/49/87/88/1073498788.db2.gz KLMFRNBYFNZASD-BFUOFWGJSA-N 1 2 392.456 -0.105 20 0 GBADLO CCOC(=O)[C@@H](CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)C(C)=O ZINC000597349589 530176842 /nfs/dbraw/zinc/17/68/42/530176842.db2.gz AFKDMKOEBKSUDP-KBPBESRZSA-N 1 2 376.475 -0.278 20 0 GBADLO CCOC(=O)[C@@H](CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)C(C)=O ZINC000597349590 530176919 /nfs/dbraw/zinc/17/69/19/530176919.db2.gz AFKDMKOEBKSUDP-KGLIPLIRSA-N 1 2 376.475 -0.278 20 0 GBADLO CCOC(=O)[C@H](CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)C(C)=O ZINC000597349591 530177115 /nfs/dbraw/zinc/17/71/15/530177115.db2.gz AFKDMKOEBKSUDP-UONOGXRCSA-N 1 2 376.475 -0.278 20 0 GBADLO CCOC(=O)[C@H](CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)C(C)=O ZINC000597349592 530177206 /nfs/dbraw/zinc/17/72/06/530177206.db2.gz AFKDMKOEBKSUDP-ZIAGYGMSSA-N 1 2 376.475 -0.278 20 0 GBADLO CN1CC[NH+](C[C@H]2CN(C(=O)CS(=O)(=O)NC(C)(C)C)CCO2)CC1 ZINC000599036697 530181205 /nfs/dbraw/zinc/18/12/05/530181205.db2.gz FMYNNAZERPFVMC-AWEZNQCLSA-N 1 2 376.523 -0.821 20 0 GBADLO CN1CC[NH+](C[C@@H]2CN(C(=O)CS(=O)(=O)NC(C)(C)C)CCO2)CC1 ZINC000599036698 530181352 /nfs/dbraw/zinc/18/13/52/530181352.db2.gz FMYNNAZERPFVMC-CQSZACIVSA-N 1 2 376.523 -0.821 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000599200523 530181420 /nfs/dbraw/zinc/18/14/20/530181420.db2.gz XTVFKVUUTKLPOQ-UHFFFAOYSA-N 1 2 385.471 -0.436 20 0 GBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)no2)[C@@H](C)C1 ZINC000599271641 530182758 /nfs/dbraw/zinc/18/27/58/530182758.db2.gz IGOOUXZPKRTQDL-JTQLQIEISA-N 1 2 375.403 -0.281 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)no2)[C@@H](C)C1 ZINC000599271641 530182754 /nfs/dbraw/zinc/18/27/54/530182754.db2.gz IGOOUXZPKRTQDL-JTQLQIEISA-N 1 2 375.403 -0.281 20 0 GBADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)no2)[C@H](C)C1 ZINC000599271643 530182590 /nfs/dbraw/zinc/18/25/90/530182590.db2.gz IGOOUXZPKRTQDL-SNVBAGLBSA-N 1 2 375.403 -0.281 20 0 GBADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cc(C(=O)OC)no2)[C@H](C)C1 ZINC000599271643 530182588 /nfs/dbraw/zinc/18/25/88/530182588.db2.gz IGOOUXZPKRTQDL-SNVBAGLBSA-N 1 2 375.403 -0.281 20 0 GBADLO COC(=O)C(C)(C)CS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000599387501 530183018 /nfs/dbraw/zinc/18/30/18/530183018.db2.gz NZEZDUOJYZXPFV-INIZCTEOSA-N 1 2 378.491 -0.279 20 0 GBADLO COC(=O)C(C)(C)CS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000599387501 530183016 /nfs/dbraw/zinc/18/30/16/530183016.db2.gz NZEZDUOJYZXPFV-INIZCTEOSA-N 1 2 378.491 -0.279 20 0 GBADLO COC(=O)C(C)(C)CS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000599387502 530182992 /nfs/dbraw/zinc/18/29/92/530182992.db2.gz NZEZDUOJYZXPFV-MRXNPFEDSA-N 1 2 378.491 -0.279 20 0 GBADLO COC(=O)C(C)(C)CS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000599387502 530182990 /nfs/dbraw/zinc/18/29/90/530182990.db2.gz NZEZDUOJYZXPFV-MRXNPFEDSA-N 1 2 378.491 -0.279 20 0 GBADLO CCOC(=O)CCCS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000599388006 530183249 /nfs/dbraw/zinc/18/32/49/530183249.db2.gz YAZYGRXALBQKLY-INIZCTEOSA-N 1 2 378.491 -0.135 20 0 GBADLO CCOC(=O)CCCS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000599388006 530183247 /nfs/dbraw/zinc/18/32/47/530183247.db2.gz YAZYGRXALBQKLY-INIZCTEOSA-N 1 2 378.491 -0.135 20 0 GBADLO CCOC(=O)CCCS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000599388007 530183194 /nfs/dbraw/zinc/18/31/94/530183194.db2.gz YAZYGRXALBQKLY-MRXNPFEDSA-N 1 2 378.491 -0.135 20 0 GBADLO CCOC(=O)CCCS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000599388007 530183192 /nfs/dbraw/zinc/18/31/92/530183192.db2.gz YAZYGRXALBQKLY-MRXNPFEDSA-N 1 2 378.491 -0.135 20 0 GBADLO COC(=O)[C@H](C[C@H]1CCCOC1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000599457207 530184530 /nfs/dbraw/zinc/18/45/30/530184530.db2.gz RGYDZBWYNDQTAW-CABCVRRESA-N 1 2 378.491 -0.014 20 0 GBADLO COC(=O)[C@H](C[C@@H]1CCCOC1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000599457208 530184277 /nfs/dbraw/zinc/18/42/77/530184277.db2.gz RGYDZBWYNDQTAW-GJZGRUSLSA-N 1 2 378.491 -0.014 20 0 GBADLO COC(=O)[C@@H](C[C@H]1CCCOC1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000599457209 530184423 /nfs/dbraw/zinc/18/44/23/530184423.db2.gz RGYDZBWYNDQTAW-HUUCEWRRSA-N 1 2 378.491 -0.014 20 0 GBADLO COC(=O)[C@@H](C[C@@H]1CCCOC1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000599457210 530184230 /nfs/dbraw/zinc/18/42/30/530184230.db2.gz RGYDZBWYNDQTAW-LSDHHAIUSA-N 1 2 378.491 -0.014 20 0 GBADLO O=C(CC[NH+]1CCN(S(=O)(=O)C2CC2)CC1)NC(=O)NCC(F)(F)F ZINC000599537023 530185595 /nfs/dbraw/zinc/18/55/95/530185595.db2.gz DOJQPNLDPRNPNP-UHFFFAOYSA-N 1 2 386.396 -0.126 20 0 GBADLO COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000599565237 1073538579 /nfs/dbraw/zinc/53/85/79/1073538579.db2.gz OUKFHNKEFXCVIH-MRXNPFEDSA-N 1 2 385.442 -0.155 20 0 GBADLO COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 ZINC000599565237 1073538567 /nfs/dbraw/zinc/53/85/67/1073538567.db2.gz OUKFHNKEFXCVIH-MRXNPFEDSA-N 1 2 385.442 -0.155 20 0 GBADLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599645641 530185818 /nfs/dbraw/zinc/18/58/18/530185818.db2.gz BZZYDGLEWFWEIV-SSDOTTSWSA-N 1 2 375.373 -0.980 20 0 GBADLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599645642 530186213 /nfs/dbraw/zinc/18/62/13/530186213.db2.gz BZZYDGLEWFWEIV-ZETCQYMHSA-N 1 2 375.373 -0.980 20 0 GBADLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646262 530186263 /nfs/dbraw/zinc/18/62/63/530186263.db2.gz HHCWHZHOGUDLHE-AAEUAGOBSA-N 1 2 375.495 -0.352 20 0 GBADLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646265 530186370 /nfs/dbraw/zinc/18/63/70/530186370.db2.gz HHCWHZHOGUDLHE-DGCLKSJQSA-N 1 2 375.495 -0.352 20 0 GBADLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646267 530185985 /nfs/dbraw/zinc/18/59/85/530185985.db2.gz HHCWHZHOGUDLHE-WCQYABFASA-N 1 2 375.495 -0.352 20 0 GBADLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646269 530186140 /nfs/dbraw/zinc/18/61/40/530186140.db2.gz HHCWHZHOGUDLHE-YPMHNXCESA-N 1 2 375.495 -0.352 20 0 GBADLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646639 530186071 /nfs/dbraw/zinc/18/60/71/530186071.db2.gz JBSMSQMBYFQUMV-LLVKDONJSA-N 1 2 375.495 -0.209 20 0 GBADLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646647 530185871 /nfs/dbraw/zinc/18/58/71/530185871.db2.gz JBSMSQMBYFQUMV-NSHDSACASA-N 1 2 375.495 -0.209 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646726 530186249 /nfs/dbraw/zinc/18/62/49/530186249.db2.gz KFQDWBLTPRLDRY-CYBMUJFWSA-N 1 2 376.479 -0.812 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646727 530186079 /nfs/dbraw/zinc/18/60/79/530186079.db2.gz KFQDWBLTPRLDRY-ZDUSSCGKSA-N 1 2 376.479 -0.812 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(NS(N)(=O)=O)CC2)C1 ZINC000599647458 530185780 /nfs/dbraw/zinc/18/57/80/530185780.db2.gz PHSQUKDWGLIDDW-GFCCVEGCSA-N 1 2 376.479 -0.954 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(NS(N)(=O)=O)CC2)C1 ZINC000599647461 530185839 /nfs/dbraw/zinc/18/58/39/530185839.db2.gz PHSQUKDWGLIDDW-LBPRGKRZSA-N 1 2 376.479 -0.954 20 0 GBADLO NS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000599647722 530186303 /nfs/dbraw/zinc/18/63/03/530186303.db2.gz SGTDCWIUFJQEJF-UHFFFAOYSA-N 1 2 375.476 -0.669 20 0 GBADLO COC(=O)C1(NC(=O)C[NH+]2CCC(NS(N)(=O)=O)CC2)CCCCC1 ZINC000599648353 530186306 /nfs/dbraw/zinc/18/63/06/530186306.db2.gz WDQHAAHTHIMFOH-UHFFFAOYSA-N 1 2 376.479 -0.764 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@@H]([NH+]2CCC(NS(N)(=O)=O)CC2)C1=O ZINC000599648370 530186090 /nfs/dbraw/zinc/18/60/90/530186090.db2.gz WPSJUWYYXWQKDM-GFCCVEGCSA-N 1 2 376.479 -0.814 20 0 GBADLO CC(C)(C)OC(=O)CN1CC[C@H]([NH+]2CCC(NS(N)(=O)=O)CC2)C1=O ZINC000599648371 530186315 /nfs/dbraw/zinc/18/63/15/530186315.db2.gz WPSJUWYYXWQKDM-LBPRGKRZSA-N 1 2 376.479 -0.814 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1)C(=O)OC ZINC000599694404 530186333 /nfs/dbraw/zinc/18/63/33/530186333.db2.gz SVHJXGWWJUKSQH-GUTXKFCHSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1)C(=O)OC ZINC000599694404 530186331 /nfs/dbraw/zinc/18/63/31/530186331.db2.gz SVHJXGWWJUKSQH-GUTXKFCHSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1)C(=O)OC ZINC000599694405 530186358 /nfs/dbraw/zinc/18/63/58/530186358.db2.gz SVHJXGWWJUKSQH-GZBFAFLISA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1)C(=O)OC ZINC000599694405 530186355 /nfs/dbraw/zinc/18/63/55/530186355.db2.gz SVHJXGWWJUKSQH-GZBFAFLISA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1)C(=O)OC ZINC000599694406 530186157 /nfs/dbraw/zinc/18/61/57/530186157.db2.gz SVHJXGWWJUKSQH-KCQAQPDRSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1)C(=O)OC ZINC000599694406 530186156 /nfs/dbraw/zinc/18/61/56/530186156.db2.gz SVHJXGWWJUKSQH-KCQAQPDRSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1)C(=O)OC ZINC000599694407 530185941 /nfs/dbraw/zinc/18/59/41/530185941.db2.gz SVHJXGWWJUKSQH-YDHLFZDLSA-N 1 2 377.507 -0.049 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1)C(=O)OC ZINC000599694407 530185938 /nfs/dbraw/zinc/18/59/38/530185938.db2.gz SVHJXGWWJUKSQH-YDHLFZDLSA-N 1 2 377.507 -0.049 20 0 GBADLO O=C(CCn1cc(Br)cn1)NCC(=O)NCC[NH+]1CCOCC1 ZINC000600488827 530096150 /nfs/dbraw/zinc/09/61/50/530096150.db2.gz BTLANRNSGLQHGY-UHFFFAOYSA-N 1 2 388.266 -0.400 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)S(C)(=O)=O ZINC000600651421 530100878 /nfs/dbraw/zinc/10/08/78/530100878.db2.gz DTYCGIQFYGDNDW-CMPLNLGQSA-N 1 2 375.413 -0.228 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)S(C)(=O)=O ZINC000600651421 530100876 /nfs/dbraw/zinc/10/08/76/530100876.db2.gz DTYCGIQFYGDNDW-CMPLNLGQSA-N 1 2 375.413 -0.228 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)S(C)(=O)=O ZINC000600651424 530100866 /nfs/dbraw/zinc/10/08/66/530100866.db2.gz DTYCGIQFYGDNDW-JQWIXIFHSA-N 1 2 375.413 -0.228 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)S(C)(=O)=O ZINC000600651424 530100863 /nfs/dbraw/zinc/10/08/63/530100863.db2.gz DTYCGIQFYGDNDW-JQWIXIFHSA-N 1 2 375.413 -0.228 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)S(C)(=O)=O ZINC000600651426 530100843 /nfs/dbraw/zinc/10/08/43/530100843.db2.gz DTYCGIQFYGDNDW-PWSUYJOCSA-N 1 2 375.413 -0.228 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)S(C)(=O)=O ZINC000600651426 530100842 /nfs/dbraw/zinc/10/08/42/530100842.db2.gz DTYCGIQFYGDNDW-PWSUYJOCSA-N 1 2 375.413 -0.228 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)S(C)(=O)=O ZINC000600651427 530100971 /nfs/dbraw/zinc/10/09/71/530100971.db2.gz DTYCGIQFYGDNDW-ZYHUDNBSSA-N 1 2 375.413 -0.228 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)S(C)(=O)=O ZINC000600651427 530100970 /nfs/dbraw/zinc/10/09/70/530100970.db2.gz DTYCGIQFYGDNDW-ZYHUDNBSSA-N 1 2 375.413 -0.228 20 0 GBADLO CCOCC[NH+]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000600766096 530101326 /nfs/dbraw/zinc/10/13/26/530101326.db2.gz XIVHBNLAQLAUQJ-UHFFFAOYSA-N 1 2 377.488 -0.323 20 0 GBADLO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000600844899 530101726 /nfs/dbraw/zinc/10/17/26/530101726.db2.gz XCNJBPTVWQLEKB-HNNXBMFYSA-N 1 2 375.539 -0.264 20 0 GBADLO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000600844899 530101725 /nfs/dbraw/zinc/10/17/25/530101725.db2.gz XCNJBPTVWQLEKB-HNNXBMFYSA-N 1 2 375.539 -0.264 20 0 GBADLO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000600844902 530101733 /nfs/dbraw/zinc/10/17/33/530101733.db2.gz XCNJBPTVWQLEKB-OAHLLOKOSA-N 1 2 375.539 -0.264 20 0 GBADLO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000600844902 530101731 /nfs/dbraw/zinc/10/17/31/530101731.db2.gz XCNJBPTVWQLEKB-OAHLLOKOSA-N 1 2 375.539 -0.264 20 0 GBADLO Cc1ncc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000600953469 1072278950 /nfs/dbraw/zinc/27/89/50/1072278950.db2.gz WQAUCBKMXVYBLZ-UHFFFAOYSA-N 1 2 378.458 -0.005 20 0 GBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000601229984 530141037 /nfs/dbraw/zinc/14/10/37/530141037.db2.gz JQWYNMVXEWLIAJ-AWEZNQCLSA-N 1 2 375.539 -0.217 20 0 GBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000601229984 530141032 /nfs/dbraw/zinc/14/10/32/530141032.db2.gz JQWYNMVXEWLIAJ-AWEZNQCLSA-N 1 2 375.539 -0.217 20 0 GBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000601229985 530141169 /nfs/dbraw/zinc/14/11/69/530141169.db2.gz JQWYNMVXEWLIAJ-CQSZACIVSA-N 1 2 375.539 -0.217 20 0 GBADLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000601229985 530141166 /nfs/dbraw/zinc/14/11/66/530141166.db2.gz JQWYNMVXEWLIAJ-CQSZACIVSA-N 1 2 375.539 -0.217 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)C1 ZINC000601325922 530144379 /nfs/dbraw/zinc/14/43/79/530144379.db2.gz HWHNLRXAJFPWKG-CHWSQXEVSA-N 1 2 395.572 -0.403 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)C1 ZINC000601325922 530144375 /nfs/dbraw/zinc/14/43/75/530144375.db2.gz HWHNLRXAJFPWKG-CHWSQXEVSA-N 1 2 395.572 -0.403 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)C1 ZINC000601325923 530143867 /nfs/dbraw/zinc/14/38/67/530143867.db2.gz HWHNLRXAJFPWKG-OLZOCXBDSA-N 1 2 395.572 -0.403 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)C1 ZINC000601325923 530143864 /nfs/dbraw/zinc/14/38/64/530143864.db2.gz HWHNLRXAJFPWKG-OLZOCXBDSA-N 1 2 395.572 -0.403 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)C1 ZINC000601325924 530144279 /nfs/dbraw/zinc/14/42/79/530144279.db2.gz HWHNLRXAJFPWKG-QWHCGFSZSA-N 1 2 395.572 -0.403 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)C1 ZINC000601325924 530144276 /nfs/dbraw/zinc/14/42/76/530144276.db2.gz HWHNLRXAJFPWKG-QWHCGFSZSA-N 1 2 395.572 -0.403 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)C1 ZINC000601325925 530144342 /nfs/dbraw/zinc/14/43/42/530144342.db2.gz HWHNLRXAJFPWKG-STQMWFEESA-N 1 2 395.572 -0.403 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)C1 ZINC000601325925 530144339 /nfs/dbraw/zinc/14/43/39/530144339.db2.gz HWHNLRXAJFPWKG-STQMWFEESA-N 1 2 395.572 -0.403 20 0 GBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC000601341954 530144365 /nfs/dbraw/zinc/14/43/65/530144365.db2.gz MTMKJHVHJGITHK-KBPBESRZSA-N 1 2 376.523 -0.127 20 0 GBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC000601341954 530144362 /nfs/dbraw/zinc/14/43/62/530144362.db2.gz MTMKJHVHJGITHK-KBPBESRZSA-N 1 2 376.523 -0.127 20 0 GBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC000601341955 530144216 /nfs/dbraw/zinc/14/42/16/530144216.db2.gz MTMKJHVHJGITHK-KGLIPLIRSA-N 1 2 376.523 -0.127 20 0 GBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC000601341955 530144215 /nfs/dbraw/zinc/14/42/15/530144215.db2.gz MTMKJHVHJGITHK-KGLIPLIRSA-N 1 2 376.523 -0.127 20 0 GBADLO CCO[C@@H]1C[C@](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)(C(=O)OC)C1(C)C ZINC000601399291 530146413 /nfs/dbraw/zinc/14/64/13/530146413.db2.gz KMMHYSWYRRATBS-IOASZLSFSA-N 1 2 378.491 -0.017 20 0 GBADLO CCO[C@@H]1C[C@](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)(C(=O)OC)C1(C)C ZINC000601399291 530146410 /nfs/dbraw/zinc/14/64/10/530146410.db2.gz KMMHYSWYRRATBS-IOASZLSFSA-N 1 2 378.491 -0.017 20 0 GBADLO CCO[C@@H]1C[C@@](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)(C(=O)OC)C1(C)C ZINC000601399292 530146277 /nfs/dbraw/zinc/14/62/77/530146277.db2.gz KMMHYSWYRRATBS-WOSRLPQWSA-N 1 2 378.491 -0.017 20 0 GBADLO CCO[C@@H]1C[C@@](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)(C(=O)OC)C1(C)C ZINC000601399292 530146275 /nfs/dbraw/zinc/14/62/75/530146275.db2.gz KMMHYSWYRRATBS-WOSRLPQWSA-N 1 2 378.491 -0.017 20 0 GBADLO CCO[C@@H]1C[C@@](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)(C(=O)OC)C1(C)C ZINC000601399293 530146541 /nfs/dbraw/zinc/14/65/41/530146541.db2.gz KMMHYSWYRRATBS-XJKCOSOUSA-N 1 2 378.491 -0.017 20 0 GBADLO CCO[C@@H]1C[C@@](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)(C(=O)OC)C1(C)C ZINC000601399293 530146540 /nfs/dbraw/zinc/14/65/40/530146540.db2.gz KMMHYSWYRRATBS-XJKCOSOUSA-N 1 2 378.491 -0.017 20 0 GBADLO CCO[C@@H]1C[C@](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)(C(=O)OC)C1(C)C ZINC000601399294 530146504 /nfs/dbraw/zinc/14/65/04/530146504.db2.gz KMMHYSWYRRATBS-ZENOOKHLSA-N 1 2 378.491 -0.017 20 0 GBADLO CCO[C@@H]1C[C@](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)(C(=O)OC)C1(C)C ZINC000601399294 530146501 /nfs/dbraw/zinc/14/65/01/530146501.db2.gz KMMHYSWYRRATBS-ZENOOKHLSA-N 1 2 378.491 -0.017 20 0 GBADLO CCOC(=O)C1(COC)CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000601408034 530146967 /nfs/dbraw/zinc/14/69/67/530146967.db2.gz JPMIPJIXWBFZEH-AWEZNQCLSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)C1(COC)CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000601408034 530146965 /nfs/dbraw/zinc/14/69/65/530146965.db2.gz JPMIPJIXWBFZEH-AWEZNQCLSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)C1(COC)CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000601408035 530147062 /nfs/dbraw/zinc/14/70/62/530147062.db2.gz JPMIPJIXWBFZEH-CQSZACIVSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)C1(COC)CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000601408035 530147061 /nfs/dbraw/zinc/14/70/61/530147061.db2.gz JPMIPJIXWBFZEH-CQSZACIVSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)[C@]1(COC)CCCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000601409547 530146978 /nfs/dbraw/zinc/14/69/78/530146978.db2.gz RLZREPLDMFHGNH-GDBMZVCRSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)[C@]1(COC)CCCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000601409547 530146975 /nfs/dbraw/zinc/14/69/75/530146975.db2.gz RLZREPLDMFHGNH-GDBMZVCRSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)[C@]1(COC)CCCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000601409548 530147274 /nfs/dbraw/zinc/14/72/74/530147274.db2.gz RLZREPLDMFHGNH-GOEBONIOSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)[C@]1(COC)CCCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000601409548 530147273 /nfs/dbraw/zinc/14/72/73/530147273.db2.gz RLZREPLDMFHGNH-GOEBONIOSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)[C@@]1(COC)CCCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000601409549 530146850 /nfs/dbraw/zinc/14/68/50/530146850.db2.gz RLZREPLDMFHGNH-HOCLYGCPSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)[C@@]1(COC)CCCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000601409549 530146848 /nfs/dbraw/zinc/14/68/48/530146848.db2.gz RLZREPLDMFHGNH-HOCLYGCPSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)[C@@]1(COC)CCCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000601409550 530146982 /nfs/dbraw/zinc/14/69/82/530146982.db2.gz RLZREPLDMFHGNH-ZBFHGGJFSA-N 1 2 378.491 -0.062 20 0 GBADLO CCOC(=O)[C@@]1(COC)CCCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000601409550 530146981 /nfs/dbraw/zinc/14/69/81/530146981.db2.gz RLZREPLDMFHGNH-ZBFHGGJFSA-N 1 2 378.491 -0.062 20 0 GBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)O1 ZINC000601411533 530146915 /nfs/dbraw/zinc/14/69/15/530146915.db2.gz CTKSJNCQVPSDTO-QRTUWBSPSA-N 1 2 376.475 -0.170 20 0 GBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)O1 ZINC000601411533 530146914 /nfs/dbraw/zinc/14/69/14/530146914.db2.gz CTKSJNCQVPSDTO-QRTUWBSPSA-N 1 2 376.475 -0.170 20 0 GBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)O1 ZINC000601411538 530146869 /nfs/dbraw/zinc/14/68/69/530146869.db2.gz CTKSJNCQVPSDTO-RMEBNNNOSA-N 1 2 376.475 -0.170 20 0 GBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)O1 ZINC000601411538 530146867 /nfs/dbraw/zinc/14/68/67/530146867.db2.gz CTKSJNCQVPSDTO-RMEBNNNOSA-N 1 2 376.475 -0.170 20 0 GBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)O1 ZINC000601411541 530147035 /nfs/dbraw/zinc/14/70/35/530147035.db2.gz CTKSJNCQVPSDTO-SEBNEYGDSA-N 1 2 376.475 -0.170 20 0 GBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)O1 ZINC000601411541 530147033 /nfs/dbraw/zinc/14/70/33/530147033.db2.gz CTKSJNCQVPSDTO-SEBNEYGDSA-N 1 2 376.475 -0.170 20 0 GBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)O1 ZINC000601411543 530146876 /nfs/dbraw/zinc/14/68/76/530146876.db2.gz CTKSJNCQVPSDTO-ZSAUSMIDSA-N 1 2 376.475 -0.170 20 0 GBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)O1 ZINC000601411543 530146874 /nfs/dbraw/zinc/14/68/74/530146874.db2.gz CTKSJNCQVPSDTO-ZSAUSMIDSA-N 1 2 376.475 -0.170 20 0 GBADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000601417880 530147104 /nfs/dbraw/zinc/14/71/04/530147104.db2.gz FLXINXBRNCGJLC-HNNXBMFYSA-N 1 2 375.491 -0.230 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000601417881 530147007 /nfs/dbraw/zinc/14/70/07/530147007.db2.gz FLXINXBRNCGJLC-OAHLLOKOSA-N 1 2 375.491 -0.230 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)CC1 ZINC000601418737 530146935 /nfs/dbraw/zinc/14/69/35/530146935.db2.gz ZZNMHDZCGQYMQW-UHFFFAOYSA-N 1 2 375.491 -0.230 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000601425366 530147199 /nfs/dbraw/zinc/14/71/99/530147199.db2.gz WRAKTCQTEZBOCX-HNNXBMFYSA-N 1 2 375.491 -0.087 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000601425367 530146861 /nfs/dbraw/zinc/14/68/61/530146861.db2.gz WRAKTCQTEZBOCX-OAHLLOKOSA-N 1 2 375.491 -0.087 20 0 GBADLO COC(=O)C1(CS(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000601436725 530147901 /nfs/dbraw/zinc/14/79/01/530147901.db2.gz KUBGNRCJTQTDFW-UHFFFAOYSA-N 1 2 376.475 -0.260 20 0 GBADLO CCOC(=O)CCCS(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000601451157 530147602 /nfs/dbraw/zinc/14/76/02/530147602.db2.gz SUGQJHDDADEZBD-AWEZNQCLSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)CCCS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000601451158 530147864 /nfs/dbraw/zinc/14/78/64/530147864.db2.gz SUGQJHDDADEZBD-CQSZACIVSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)C(C)(C)CS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000601451231 530147624 /nfs/dbraw/zinc/14/76/24/530147624.db2.gz WELLOYXKYXCTLR-CYBMUJFWSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)C(C)(C)CS(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000601451232 530147759 /nfs/dbraw/zinc/14/77/59/530147759.db2.gz WELLOYXKYXCTLR-ZDUSSCGKSA-N 1 2 375.491 -0.200 20 0 GBADLO CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000601455840 637498772 /nfs/dbraw/zinc/49/87/72/637498772.db2.gz SRYIHHWMNVNKJL-KGLIPLIRSA-N 1 2 375.491 -0.212 20 0 GBADLO CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000601455840 637498764 /nfs/dbraw/zinc/49/87/64/637498764.db2.gz SRYIHHWMNVNKJL-KGLIPLIRSA-N 1 2 375.491 -0.212 20 0 GBADLO COC(=O)[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[C@@H](OC)C1 ZINC000601455856 530147807 /nfs/dbraw/zinc/14/78/07/530147807.db2.gz TZAUMFBWIKERGQ-APIJFGDWSA-N 1 2 378.491 -0.017 20 0 GBADLO COC(=O)[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[C@@H](OC)C1 ZINC000601455856 530147804 /nfs/dbraw/zinc/14/78/04/530147804.db2.gz TZAUMFBWIKERGQ-APIJFGDWSA-N 1 2 378.491 -0.017 20 0 GBADLO COC(=O)[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[C@H](OC)C1 ZINC000601455857 530147703 /nfs/dbraw/zinc/14/77/03/530147703.db2.gz TZAUMFBWIKERGQ-CBBWQLFWSA-N 1 2 378.491 -0.017 20 0 GBADLO COC(=O)[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[C@H](OC)C1 ZINC000601455857 530147702 /nfs/dbraw/zinc/14/77/02/530147702.db2.gz TZAUMFBWIKERGQ-CBBWQLFWSA-N 1 2 378.491 -0.017 20 0 GBADLO COC(=O)[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[C@@H](OC)C1 ZINC000601455858 530147636 /nfs/dbraw/zinc/14/76/36/530147636.db2.gz TZAUMFBWIKERGQ-LJISPDSOSA-N 1 2 378.491 -0.017 20 0 GBADLO COC(=O)[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[C@@H](OC)C1 ZINC000601455858 530147634 /nfs/dbraw/zinc/14/76/34/530147634.db2.gz TZAUMFBWIKERGQ-LJISPDSOSA-N 1 2 378.491 -0.017 20 0 GBADLO COC(=O)[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[C@H](OC)C1 ZINC000601455859 530147969 /nfs/dbraw/zinc/14/79/69/530147969.db2.gz TZAUMFBWIKERGQ-ZQDZILKHSA-N 1 2 378.491 -0.017 20 0 GBADLO COC(=O)[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[C@H](OC)C1 ZINC000601455859 530147966 /nfs/dbraw/zinc/14/79/66/530147966.db2.gz TZAUMFBWIKERGQ-ZQDZILKHSA-N 1 2 378.491 -0.017 20 0 GBADLO Cn1cnnc1S(=O)(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601514233 530187789 /nfs/dbraw/zinc/18/77/89/530187789.db2.gz FSCFABWLXBELEY-UHFFFAOYSA-N 1 2 383.499 -0.142 20 0 GBADLO Cn1nncc1S(=O)(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601515164 530188072 /nfs/dbraw/zinc/18/80/72/530188072.db2.gz HXPWPHFLLHNAPI-UHFFFAOYSA-N 1 2 383.499 -0.142 20 0 GBADLO CCOC(=O)[C@]1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CCCOC1 ZINC000601515206 530188039 /nfs/dbraw/zinc/18/80/39/530188039.db2.gz LNAJRYLPYWKYIT-INIZCTEOSA-N 1 2 378.491 -0.012 20 0 GBADLO CCOC(=O)[C@@]1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CCCOC1 ZINC000601515207 530187955 /nfs/dbraw/zinc/18/79/55/530187955.db2.gz LNAJRYLPYWKYIT-MRXNPFEDSA-N 1 2 378.491 -0.012 20 0 GBADLO O=S1CC[NH+](Cc2ccc(CNS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000601517215 530188067 /nfs/dbraw/zinc/18/80/67/530188067.db2.gz PBVMXURWPVRFDS-UHFFFAOYSA-N 1 2 387.527 -0.083 20 0 GBADLO CN(CC(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1)S(C)(=O)=O ZINC000601640947 530187837 /nfs/dbraw/zinc/18/78/37/530187837.db2.gz CKKMKBOBWWVECN-UHFFFAOYSA-N 1 2 387.527 -0.242 20 0 GBADLO CN(C)S(=O)(=O)CC(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601641462 530188010 /nfs/dbraw/zinc/18/80/10/530188010.db2.gz DAKYNKBYDWSMFY-UHFFFAOYSA-N 1 2 387.527 -0.242 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601642231 530188110 /nfs/dbraw/zinc/18/81/10/530188110.db2.gz OGBQUQHZDDBXFG-CYBMUJFWSA-N 1 2 387.527 -0.195 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601642232 530188098 /nfs/dbraw/zinc/18/80/98/530188098.db2.gz OGBQUQHZDDBXFG-ZDUSSCGKSA-N 1 2 387.527 -0.195 20 0 GBADLO CS(=O)(=O)NCCC(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601643266 530187823 /nfs/dbraw/zinc/18/78/23/530187823.db2.gz YJKLJVAGINBTFI-UHFFFAOYSA-N 1 2 387.527 -0.194 20 0 GBADLO CCS(=O)(=O)NCC(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601644501 530188124 /nfs/dbraw/zinc/18/81/24/530188124.db2.gz YHVQLKMJGLMLHF-UHFFFAOYSA-N 1 2 387.527 -0.194 20 0 GBADLO O=C(NCc1ccc(C[NH+]2CCS(=O)CC2)cc1)[C@@H]1CCS(=O)(=O)N1 ZINC000601645582 530188078 /nfs/dbraw/zinc/18/80/78/530188078.db2.gz POFGYDNCFDDHOP-HNNXBMFYSA-N 1 2 385.511 -0.441 20 0 GBADLO O=C(NCc1ccc(C[NH+]2CCS(=O)CC2)cc1)[C@H]1CCS(=O)(=O)N1 ZINC000601645587 530187676 /nfs/dbraw/zinc/18/76/76/530187676.db2.gz POFGYDNCFDDHOP-OAHLLOKOSA-N 1 2 385.511 -0.441 20 0 GBADLO COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000601720280 1073551788 /nfs/dbraw/zinc/55/17/88/1073551788.db2.gz ARTDKARTQMDBBV-VCBZYWHSSA-N 1 2 397.472 -0.654 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC[N@@H+](C)C1 ZINC000602164315 530188248 /nfs/dbraw/zinc/18/82/48/530188248.db2.gz SOFVGTBPIZLQOL-GMTAPVOTSA-N 1 2 386.392 -0.227 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC[N@H+](C)C1 ZINC000602164315 530188246 /nfs/dbraw/zinc/18/82/46/530188246.db2.gz SOFVGTBPIZLQOL-GMTAPVOTSA-N 1 2 386.392 -0.227 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC[N@@H+](C)C1 ZINC000602164316 530188499 /nfs/dbraw/zinc/18/84/99/530188499.db2.gz SOFVGTBPIZLQOL-MXWKQRLJSA-N 1 2 386.392 -0.227 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC[N@H+](C)C1 ZINC000602164316 530188496 /nfs/dbraw/zinc/18/84/96/530188496.db2.gz SOFVGTBPIZLQOL-MXWKQRLJSA-N 1 2 386.392 -0.227 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC[N@@H+](C)C1 ZINC000602164317 530188424 /nfs/dbraw/zinc/18/84/24/530188424.db2.gz SOFVGTBPIZLQOL-OUAUKWLOSA-N 1 2 386.392 -0.227 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC[N@H+](C)C1 ZINC000602164317 530188421 /nfs/dbraw/zinc/18/84/21/530188421.db2.gz SOFVGTBPIZLQOL-OUAUKWLOSA-N 1 2 386.392 -0.227 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC[N@@H+](C)C1 ZINC000602164318 530188473 /nfs/dbraw/zinc/18/84/73/530188473.db2.gz SOFVGTBPIZLQOL-VWYCJHECSA-N 1 2 386.392 -0.227 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC[N@H+](C)C1 ZINC000602164318 530188470 /nfs/dbraw/zinc/18/84/70/530188470.db2.gz SOFVGTBPIZLQOL-VWYCJHECSA-N 1 2 386.392 -0.227 20 0 GBADLO Cn1cc(I)c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000602293069 530188505 /nfs/dbraw/zinc/18/85/05/530188505.db2.gz DIMBDHQSRDCMCB-SECBINFHSA-N 1 2 375.214 -0.246 20 0 GBADLO Cn1cc(I)c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000602293070 530188447 /nfs/dbraw/zinc/18/84/47/530188447.db2.gz DIMBDHQSRDCMCB-VIFPVBQESA-N 1 2 375.214 -0.246 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000602519673 1073562962 /nfs/dbraw/zinc/56/29/62/1073562962.db2.gz HRSPMFWTSRZEKS-UONOGXRCSA-N 1 2 382.461 -0.933 20 0 GBADLO CCOC(=O)C1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000602761222 530189645 /nfs/dbraw/zinc/18/96/45/530189645.db2.gz VXLSQJFIVHAWHM-UHFFFAOYSA-N 1 2 375.491 -0.198 20 0 GBADLO COC(=O)C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CCCC1 ZINC000602781533 530189527 /nfs/dbraw/zinc/18/95/27/530189527.db2.gz ARJLIVMLVMWABL-UHFFFAOYSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CCCC1 ZINC000602781533 530189524 /nfs/dbraw/zinc/18/95/24/530189524.db2.gz ARJLIVMLVMWABL-UHFFFAOYSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000602788015 530189775 /nfs/dbraw/zinc/18/97/75/530189775.db2.gz PRHXSWSMYVDASI-CYBMUJFWSA-N 1 2 393.531 -0.493 20 0 GBADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000602788015 530189772 /nfs/dbraw/zinc/18/97/72/530189772.db2.gz PRHXSWSMYVDASI-CYBMUJFWSA-N 1 2 393.531 -0.493 20 0 GBADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000602788016 530189767 /nfs/dbraw/zinc/18/97/67/530189767.db2.gz PRHXSWSMYVDASI-ZDUSSCGKSA-N 1 2 393.531 -0.493 20 0 GBADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000602788016 530189764 /nfs/dbraw/zinc/18/97/64/530189764.db2.gz PRHXSWSMYVDASI-ZDUSSCGKSA-N 1 2 393.531 -0.493 20 0 GBADLO CCOC(=O)c1ncc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)s1 ZINC000602791085 530189792 /nfs/dbraw/zinc/18/97/92/530189792.db2.gz QPAMXKVJXHHHMQ-CHWSQXEVSA-N 1 2 389.499 -0.093 20 0 GBADLO CCOC(=O)c1ncc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 ZINC000602791086 530189567 /nfs/dbraw/zinc/18/95/67/530189567.db2.gz QPAMXKVJXHHHMQ-OLZOCXBDSA-N 1 2 389.499 -0.093 20 0 GBADLO CCOC(=O)c1ncc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)s1 ZINC000602791087 530189797 /nfs/dbraw/zinc/18/97/97/530189797.db2.gz QPAMXKVJXHHHMQ-QWHCGFSZSA-N 1 2 389.499 -0.093 20 0 GBADLO CCOC(=O)c1ncc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 ZINC000602791088 530189623 /nfs/dbraw/zinc/18/96/23/530189623.db2.gz QPAMXKVJXHHHMQ-STQMWFEESA-N 1 2 389.499 -0.093 20 0 GBADLO COC(=O)C1([N@@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCC1 ZINC000602793419 530189541 /nfs/dbraw/zinc/18/95/41/530189541.db2.gz ARUKZGYHRKJBFI-UHFFFAOYSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)C1([N@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCC1 ZINC000602793419 530189538 /nfs/dbraw/zinc/18/95/38/530189538.db2.gz ARUKZGYHRKJBFI-UHFFFAOYSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)[C@@H]1CCCCC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000602807179 530189750 /nfs/dbraw/zinc/18/97/50/530189750.db2.gz QSYXOMUONOHJSC-AWEZNQCLSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)[C@@H]1CCCCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000602807179 530189748 /nfs/dbraw/zinc/18/97/48/530189748.db2.gz QSYXOMUONOHJSC-AWEZNQCLSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)[C@H]1CCCCC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000602807180 530189726 /nfs/dbraw/zinc/18/97/26/530189726.db2.gz QSYXOMUONOHJSC-CQSZACIVSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)[C@H]1CCCCC[N@@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000602807180 530189722 /nfs/dbraw/zinc/18/97/22/530189722.db2.gz QSYXOMUONOHJSC-CQSZACIVSA-N 1 2 375.491 -0.056 20 0 GBADLO Cn1cc(I)c(C(=O)NCCC[N@H+]2CCNC(=O)C2)n1 ZINC000602966736 530189437 /nfs/dbraw/zinc/18/94/37/530189437.db2.gz PTKRAVMOOJOTJC-UHFFFAOYSA-N 1 2 391.213 -0.424 20 0 GBADLO Cn1cc(I)c(C(=O)NCCC[N@@H+]2CCNC(=O)C2)n1 ZINC000602966736 530189434 /nfs/dbraw/zinc/18/94/34/530189434.db2.gz PTKRAVMOOJOTJC-UHFFFAOYSA-N 1 2 391.213 -0.424 20 0 GBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603473696 530190593 /nfs/dbraw/zinc/19/05/93/530190593.db2.gz HSGZJULAHNZMHY-UHFFFAOYSA-N 1 2 397.233 -0.221 20 0 GBADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC(n2cc[nH+]c2)C1 ZINC000603813340 1073584729 /nfs/dbraw/zinc/58/47/29/1073584729.db2.gz MTZMSUNTLJKPBT-UHFFFAOYSA-N 1 2 389.437 -0.299 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000603876263 530191747 /nfs/dbraw/zinc/19/17/47/530191747.db2.gz FEFJFMWQLWGZGH-KBPBESRZSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000603876263 530191745 /nfs/dbraw/zinc/19/17/45/530191745.db2.gz FEFJFMWQLWGZGH-KBPBESRZSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603876264 530191677 /nfs/dbraw/zinc/19/16/77/530191677.db2.gz FEFJFMWQLWGZGH-KGLIPLIRSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603876264 530191676 /nfs/dbraw/zinc/19/16/76/530191676.db2.gz FEFJFMWQLWGZGH-KGLIPLIRSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000603876265 530191632 /nfs/dbraw/zinc/19/16/32/530191632.db2.gz FEFJFMWQLWGZGH-UONOGXRCSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000603876265 530191631 /nfs/dbraw/zinc/19/16/31/530191631.db2.gz FEFJFMWQLWGZGH-UONOGXRCSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603876266 530191649 /nfs/dbraw/zinc/19/16/49/530191649.db2.gz FEFJFMWQLWGZGH-ZIAGYGMSSA-N 1 2 375.491 -0.056 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603876266 530191647 /nfs/dbraw/zinc/19/16/47/530191647.db2.gz FEFJFMWQLWGZGH-ZIAGYGMSSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000603876286 530191835 /nfs/dbraw/zinc/19/18/35/530191835.db2.gz GGBHGEAVSKBEHH-GXTWGEPZSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000603876286 530191832 /nfs/dbraw/zinc/19/18/32/530191832.db2.gz GGBHGEAVSKBEHH-GXTWGEPZSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000603876290 530191592 /nfs/dbraw/zinc/19/15/92/530191592.db2.gz GGBHGEAVSKBEHH-TZMCWYRMSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000603876290 530191591 /nfs/dbraw/zinc/19/15/91/530191591.db2.gz GGBHGEAVSKBEHH-TZMCWYRMSA-N 1 2 375.491 -0.200 20 0 GBADLO COC(=O)C1(NC(=O)C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CCCCC1 ZINC000603877015 530191896 /nfs/dbraw/zinc/19/18/96/530191896.db2.gz WUNPYUJZWHZAAM-CYBMUJFWSA-N 1 2 375.491 -0.008 20 0 GBADLO COC(=O)C1(NC(=O)C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CCCCC1 ZINC000603877015 530191895 /nfs/dbraw/zinc/19/18/95/530191895.db2.gz WUNPYUJZWHZAAM-CYBMUJFWSA-N 1 2 375.491 -0.008 20 0 GBADLO COC(=O)C1(NC(=O)C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)CCCCC1 ZINC000603877016 530191827 /nfs/dbraw/zinc/19/18/27/530191827.db2.gz WUNPYUJZWHZAAM-ZDUSSCGKSA-N 1 2 375.491 -0.008 20 0 GBADLO COC(=O)C1(NC(=O)C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)CCCCC1 ZINC000603877016 530191825 /nfs/dbraw/zinc/19/18/25/530191825.db2.gz WUNPYUJZWHZAAM-ZDUSSCGKSA-N 1 2 375.491 -0.008 20 0 GBADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000604152732 1073591186 /nfs/dbraw/zinc/59/11/86/1073591186.db2.gz BTAKUSYDGYYROX-UHFFFAOYSA-N 1 2 376.413 -0.769 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000604376470 530192744 /nfs/dbraw/zinc/19/27/44/530192744.db2.gz MKAYUUNOLVQRRO-GFCCVEGCSA-N 1 2 388.515 -0.468 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000604376471 530192982 /nfs/dbraw/zinc/19/29/82/530192982.db2.gz MKAYUUNOLVQRRO-LBPRGKRZSA-N 1 2 388.515 -0.468 20 0 GBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604655721 530193873 /nfs/dbraw/zinc/19/38/73/530193873.db2.gz FDUQQKVSZQUJCJ-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604655721 530193872 /nfs/dbraw/zinc/19/38/72/530193872.db2.gz FDUQQKVSZQUJCJ-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604655721 530193869 /nfs/dbraw/zinc/19/38/69/530193869.db2.gz FDUQQKVSZQUJCJ-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604655722 530193896 /nfs/dbraw/zinc/19/38/96/530193896.db2.gz FDUQQKVSZQUJCJ-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604655722 530193894 /nfs/dbraw/zinc/19/38/94/530193894.db2.gz FDUQQKVSZQUJCJ-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604655722 530193891 /nfs/dbraw/zinc/19/38/91/530193891.db2.gz FDUQQKVSZQUJCJ-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604655723 530194003 /nfs/dbraw/zinc/19/40/03/530194003.db2.gz FDUQQKVSZQUJCJ-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604655723 530193999 /nfs/dbraw/zinc/19/39/99/530193999.db2.gz FDUQQKVSZQUJCJ-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604655723 530193998 /nfs/dbraw/zinc/19/39/98/530193998.db2.gz FDUQQKVSZQUJCJ-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604655724 530194118 /nfs/dbraw/zinc/19/41/18/530194118.db2.gz FDUQQKVSZQUJCJ-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604655724 530194117 /nfs/dbraw/zinc/19/41/17/530194117.db2.gz FDUQQKVSZQUJCJ-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604655724 530194116 /nfs/dbraw/zinc/19/41/16/530194116.db2.gz FDUQQKVSZQUJCJ-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2ccccc2CNC(=O)CS(C)(=O)=O)CC1 ZINC000604846811 530194694 /nfs/dbraw/zinc/19/46/94/530194694.db2.gz HGBYZOHZTIZDDG-UHFFFAOYSA-N 1 2 389.499 -0.717 20 0 GBADLO Cc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1-n1cnnn1 ZINC000605378702 1072422020 /nfs/dbraw/zinc/42/20/20/1072422020.db2.gz KTMGBPRDFIAPFV-INIZCTEOSA-N 1 2 399.455 -0.366 20 0 GBADLO O=C(Cn1ncc2ccccc2c1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378898 1072422639 /nfs/dbraw/zinc/42/26/39/1072422639.db2.gz VGMPTEOZKMDEAI-INIZCTEOSA-N 1 2 399.451 -0.554 20 0 GBADLO C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378978 1072422409 /nfs/dbraw/zinc/42/24/09/1072422409.db2.gz ZKYBYMQUKVSMAA-RDJZCZTQSA-N 1 2 388.468 -0.146 20 0 GBADLO CNC(=O)C1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1 ZINC000606428218 1073647613 /nfs/dbraw/zinc/64/76/13/1073647613.db2.gz QYTRKWFICWFPGJ-UHFFFAOYSA-N 1 2 388.472 -0.122 20 0 GBADLO CNC(=O)C1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC1 ZINC000606428218 1073647611 /nfs/dbraw/zinc/64/76/11/1073647611.db2.gz QYTRKWFICWFPGJ-UHFFFAOYSA-N 1 2 388.472 -0.122 20 0 GBADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000606583815 1073655763 /nfs/dbraw/zinc/65/57/63/1073655763.db2.gz OPZUXEDEPODNBM-UHFFFAOYSA-N 1 2 386.412 -0.131 20 0 GBADLO C[C@@H](CCO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000606640455 1073658580 /nfs/dbraw/zinc/65/85/80/1073658580.db2.gz AVILYODZLJMQAG-AWEZNQCLSA-N 1 2 385.490 -0.397 20 0 GBADLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)CCCS(C)(=O)=O ZINC000607159202 530210771 /nfs/dbraw/zinc/21/07/71/530210771.db2.gz AURIETWPLOEXAD-CYBMUJFWSA-N 1 2 383.536 -0.717 20 0 GBADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCCS(C)(=O)=O ZINC000607159202 530210769 /nfs/dbraw/zinc/21/07/69/530210769.db2.gz AURIETWPLOEXAD-CYBMUJFWSA-N 1 2 383.536 -0.717 20 0 GBADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)CCCS(C)(=O)=O ZINC000607159203 530210843 /nfs/dbraw/zinc/21/08/43/530210843.db2.gz AURIETWPLOEXAD-ZDUSSCGKSA-N 1 2 383.536 -0.717 20 0 GBADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCCS(C)(=O)=O ZINC000607159203 530210842 /nfs/dbraw/zinc/21/08/42/530210842.db2.gz AURIETWPLOEXAD-ZDUSSCGKSA-N 1 2 383.536 -0.717 20 0 GBADLO C[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000607724518 530073672 /nfs/dbraw/zinc/07/36/72/530073672.db2.gz RBFZZDYARKEFNP-CYBMUJFWSA-N 1 2 390.531 -0.504 20 0 GBADLO C[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C[NH+]1CCN(C)CC1 ZINC000607724519 530073923 /nfs/dbraw/zinc/07/39/23/530073923.db2.gz RBFZZDYARKEFNP-ZDUSSCGKSA-N 1 2 390.531 -0.504 20 0 GBADLO C[NH+](C)C1(CNS(=O)(=O)N2CCS(=O)(=O)CC2)Cc2ccccc2C1 ZINC000608027986 530268968 /nfs/dbraw/zinc/26/89/68/530268968.db2.gz YYUIOQLJRDPGGI-UHFFFAOYSA-N 1 2 387.527 -0.350 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000608035413 530269219 /nfs/dbraw/zinc/26/92/19/530269219.db2.gz MMYJEJFDZPZVRU-CYBMUJFWSA-N 1 2 389.499 -0.323 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000608035414 530269225 /nfs/dbraw/zinc/26/92/25/530269225.db2.gz MMYJEJFDZPZVRU-ZDUSSCGKSA-N 1 2 389.499 -0.323 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000608039860 530269547 /nfs/dbraw/zinc/26/95/47/530269547.db2.gz ZVMLPOPKAHRDRU-CYBMUJFWSA-N 1 2 389.499 -0.181 20 0 GBADLO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000608128749 1073168828 /nfs/dbraw/zinc/16/88/28/1073168828.db2.gz LAZYDNXPKBOEFU-AWEZNQCLSA-N 1 2 383.470 -0.214 20 0 GBADLO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000608128749 1073168825 /nfs/dbraw/zinc/16/88/25/1073168825.db2.gz LAZYDNXPKBOEFU-AWEZNQCLSA-N 1 2 383.470 -0.214 20 0 GBADLO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000608128750 1073168549 /nfs/dbraw/zinc/16/85/49/1073168549.db2.gz LAZYDNXPKBOEFU-CQSZACIVSA-N 1 2 383.470 -0.214 20 0 GBADLO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 ZINC000608128750 1073168547 /nfs/dbraw/zinc/16/85/47/1073168547.db2.gz LAZYDNXPKBOEFU-CQSZACIVSA-N 1 2 383.470 -0.214 20 0 GBADLO Cn1c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000608150474 1073175513 /nfs/dbraw/zinc/17/55/13/1073175513.db2.gz IQLFTSBTEMQHDV-CYBMUJFWSA-N 1 2 389.456 -0.488 20 0 GBADLO CS(=O)(=O)NC1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000608349542 1073298603 /nfs/dbraw/zinc/29/86/03/1073298603.db2.gz XFVWLOQEAYGOPY-UHFFFAOYSA-N 1 2 381.502 -0.256 20 0 GBADLO COC(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000608461528 530285778 /nfs/dbraw/zinc/28/57/78/530285778.db2.gz VMWKGJGJVBOWFZ-UHFFFAOYSA-N 1 2 377.511 -0.769 20 0 GBADLO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000608784733 530077055 /nfs/dbraw/zinc/07/70/55/530077055.db2.gz PMAGFMPOHVEQGH-NEPJUHHUSA-N 1 2 375.447 -0.583 20 0 GBADLO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000608784733 530077052 /nfs/dbraw/zinc/07/70/52/530077052.db2.gz PMAGFMPOHVEQGH-NEPJUHHUSA-N 1 2 375.447 -0.583 20 0 GBADLO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000608784734 530076911 /nfs/dbraw/zinc/07/69/11/530076911.db2.gz PMAGFMPOHVEQGH-NWDGAFQWSA-N 1 2 375.447 -0.583 20 0 GBADLO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000608784734 530076909 /nfs/dbraw/zinc/07/69/09/530076909.db2.gz PMAGFMPOHVEQGH-NWDGAFQWSA-N 1 2 375.447 -0.583 20 0 GBADLO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000608784735 530076997 /nfs/dbraw/zinc/07/69/97/530076997.db2.gz PMAGFMPOHVEQGH-RYUDHWBXSA-N 1 2 375.447 -0.583 20 0 GBADLO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000608784735 530076994 /nfs/dbraw/zinc/07/69/94/530076994.db2.gz PMAGFMPOHVEQGH-RYUDHWBXSA-N 1 2 375.447 -0.583 20 0 GBADLO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000608784736 530076932 /nfs/dbraw/zinc/07/69/32/530076932.db2.gz PMAGFMPOHVEQGH-VXGBXAGGSA-N 1 2 375.447 -0.583 20 0 GBADLO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000608784736 530076931 /nfs/dbraw/zinc/07/69/31/530076931.db2.gz PMAGFMPOHVEQGH-VXGBXAGGSA-N 1 2 375.447 -0.583 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000608800400 530077618 /nfs/dbraw/zinc/07/76/18/530077618.db2.gz JAHZECNFJVPXSW-KBPBESRZSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000608800400 530077616 /nfs/dbraw/zinc/07/76/16/530077616.db2.gz JAHZECNFJVPXSW-KBPBESRZSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000608800402 530077449 /nfs/dbraw/zinc/07/74/49/530077449.db2.gz JAHZECNFJVPXSW-KGLIPLIRSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000608800402 530077447 /nfs/dbraw/zinc/07/74/47/530077447.db2.gz JAHZECNFJVPXSW-KGLIPLIRSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000608800404 530077630 /nfs/dbraw/zinc/07/76/30/530077630.db2.gz JAHZECNFJVPXSW-UONOGXRCSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000608800404 530077629 /nfs/dbraw/zinc/07/76/29/530077629.db2.gz JAHZECNFJVPXSW-UONOGXRCSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000608800406 530077639 /nfs/dbraw/zinc/07/76/39/530077639.db2.gz JAHZECNFJVPXSW-ZIAGYGMSSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000608800406 530077637 /nfs/dbraw/zinc/07/76/37/530077637.db2.gz JAHZECNFJVPXSW-ZIAGYGMSSA-N 1 2 375.491 -0.198 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCCC[C@H]2CC(=O)OC)c(=O)[nH]c1=O ZINC000609144322 1072334339 /nfs/dbraw/zinc/33/43/39/1072334339.db2.gz MDVZSARNYXBETK-NSHDSACASA-N 1 2 382.417 -0.222 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@H]2CC(=O)OC)c(=O)[nH]c1=O ZINC000609144322 1072334326 /nfs/dbraw/zinc/33/43/26/1072334326.db2.gz MDVZSARNYXBETK-NSHDSACASA-N 1 2 382.417 -0.222 20 0 GBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCCN(C)S(C)(=O)=O)C2)CC1 ZINC000609291785 530083027 /nfs/dbraw/zinc/08/30/27/530083027.db2.gz BTIAZVBKXDAAPN-HNNXBMFYSA-N 1 2 375.539 -0.311 20 0 GBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCCN(C)S(C)(=O)=O)C2)CC1 ZINC000609291800 530083267 /nfs/dbraw/zinc/08/32/67/530083267.db2.gz BTIAZVBKXDAAPN-OAHLLOKOSA-N 1 2 375.539 -0.311 20 0 GBADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000609470924 530188401 /nfs/dbraw/zinc/18/84/01/530188401.db2.gz WVXJQVLLDMXBGL-AWEZNQCLSA-N 1 2 375.539 -0.264 20 0 GBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000609470927 530188514 /nfs/dbraw/zinc/18/85/14/530188514.db2.gz WVXJQVLLDMXBGL-CQSZACIVSA-N 1 2 375.539 -0.264 20 0 GBADLO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000609597502 530290314 /nfs/dbraw/zinc/29/03/14/530290314.db2.gz POEIEQBCAHXUFX-UHFFFAOYSA-N 1 2 399.535 -0.833 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000609739814 530297854 /nfs/dbraw/zinc/29/78/54/530297854.db2.gz QPEIRZHBMBMLDY-BFHYXJOUSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000609739814 530297853 /nfs/dbraw/zinc/29/78/53/530297853.db2.gz QPEIRZHBMBMLDY-BFHYXJOUSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000609739815 530298200 /nfs/dbraw/zinc/29/82/00/530298200.db2.gz QPEIRZHBMBMLDY-MCIONIFRSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000609739815 530298199 /nfs/dbraw/zinc/29/81/99/530298199.db2.gz QPEIRZHBMBMLDY-MCIONIFRSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000609739816 530298134 /nfs/dbraw/zinc/29/81/34/530298134.db2.gz QPEIRZHBMBMLDY-MGPQQGTHSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000609739816 530298133 /nfs/dbraw/zinc/29/81/33/530298133.db2.gz QPEIRZHBMBMLDY-MGPQQGTHSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000609739817 530298278 /nfs/dbraw/zinc/29/82/78/530298278.db2.gz QPEIRZHBMBMLDY-MJBXVCDLSA-N 1 2 375.491 -0.200 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000609739817 530298277 /nfs/dbraw/zinc/29/82/77/530298277.db2.gz QPEIRZHBMBMLDY-MJBXVCDLSA-N 1 2 375.491 -0.200 20 0 GBADLO CSCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000609903913 530299751 /nfs/dbraw/zinc/29/97/51/530299751.db2.gz QZEFJASZRLZUSN-UHFFFAOYSA-N 1 2 379.552 -0.441 20 0 GBADLO CSC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000609905287 530299928 /nfs/dbraw/zinc/29/99/28/530299928.db2.gz FPFJVUKRFQPEDG-CYBMUJFWSA-N 1 2 379.552 -0.443 20 0 GBADLO CSC[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000609905289 530299909 /nfs/dbraw/zinc/29/99/09/530299909.db2.gz FPFJVUKRFQPEDG-ZDUSSCGKSA-N 1 2 379.552 -0.443 20 0 GBADLO COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000609953965 1073518133 /nfs/dbraw/zinc/51/81/33/1073518133.db2.gz JAFBRAOPOQDBTJ-CYBMUJFWSA-N 1 2 390.440 -0.062 20 0 GBADLO CCOC(=O)CCCC[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000610091352 530315878 /nfs/dbraw/zinc/31/58/78/530315878.db2.gz KNYWLYPMBVYELO-UHFFFAOYSA-N 1 2 376.523 -0.170 20 0 GBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000610463393 1072498055 /nfs/dbraw/zinc/49/80/55/1072498055.db2.gz BQWZDTIGXRPKDQ-LLVKDONJSA-N 1 2 394.403 -0.041 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000610463394 1072498549 /nfs/dbraw/zinc/49/85/49/1072498549.db2.gz BQWZDTIGXRPKDQ-NSHDSACASA-N 1 2 394.403 -0.041 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610604189 530343832 /nfs/dbraw/zinc/34/38/32/530343832.db2.gz GBPZUVGZSMFQQZ-AWEZNQCLSA-N 1 2 375.491 -0.102 20 0 GBADLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000610604189 530343831 /nfs/dbraw/zinc/34/38/31/530343831.db2.gz GBPZUVGZSMFQQZ-AWEZNQCLSA-N 1 2 375.491 -0.102 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610604190 530343892 /nfs/dbraw/zinc/34/38/92/530343892.db2.gz GBPZUVGZSMFQQZ-CQSZACIVSA-N 1 2 375.491 -0.102 20 0 GBADLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000610604190 530343891 /nfs/dbraw/zinc/34/38/91/530343891.db2.gz GBPZUVGZSMFQQZ-CQSZACIVSA-N 1 2 375.491 -0.102 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604545 1072226217 /nfs/dbraw/zinc/22/62/17/1072226217.db2.gz WVTQPYAFNRETIQ-JKIFEVAISA-N 1 2 375.425 -0.204 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604545 1072226215 /nfs/dbraw/zinc/22/62/15/1072226215.db2.gz WVTQPYAFNRETIQ-JKIFEVAISA-N 1 2 375.425 -0.204 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604550 1072226164 /nfs/dbraw/zinc/22/61/64/1072226164.db2.gz WVTQPYAFNRETIQ-VBQJREDUSA-N 1 2 375.425 -0.204 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604550 1072226160 /nfs/dbraw/zinc/22/61/60/1072226160.db2.gz WVTQPYAFNRETIQ-VBQJREDUSA-N 1 2 375.425 -0.204 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC000610615015 530343865 /nfs/dbraw/zinc/34/38/65/530343865.db2.gz JXPXPWOCRDDENT-CYBMUJFWSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC000610615015 530343864 /nfs/dbraw/zinc/34/38/64/530343864.db2.gz JXPXPWOCRDDENT-CYBMUJFWSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC000610615018 530344069 /nfs/dbraw/zinc/34/40/69/530344069.db2.gz JXPXPWOCRDDENT-ZDUSSCGKSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC000610615018 530344066 /nfs/dbraw/zinc/34/40/66/530344066.db2.gz JXPXPWOCRDDENT-ZDUSSCGKSA-N 1 2 375.491 -0.246 20 0 GBADLO COC(=O)C1(NC(=O)C[N@@H+](C)CCN2CCCS2(=O)=O)CCCCC1 ZINC000610615065 530343773 /nfs/dbraw/zinc/34/37/73/530343773.db2.gz NFHOOZATYAPAFZ-UHFFFAOYSA-N 1 2 375.491 -0.054 20 0 GBADLO COC(=O)C1(NC(=O)C[N@H+](C)CCN2CCCS2(=O)=O)CCCCC1 ZINC000610615065 530343772 /nfs/dbraw/zinc/34/37/72/530343772.db2.gz NFHOOZATYAPAFZ-UHFFFAOYSA-N 1 2 375.491 -0.054 20 0 GBADLO CCOC(=O)COc1ccc(OCC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000610821584 1072267980 /nfs/dbraw/zinc/26/79/80/1072267980.db2.gz IXLNDUCXIDJGQI-AWEZNQCLSA-N 1 2 391.424 -0.350 20 0 GBADLO CCOC(=O)COc1ccc(OCC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000610821584 1072267969 /nfs/dbraw/zinc/26/79/69/1072267969.db2.gz IXLNDUCXIDJGQI-AWEZNQCLSA-N 1 2 391.424 -0.350 20 0 GBADLO CCOC(=O)COc1ccc(OCC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000610821585 1072268314 /nfs/dbraw/zinc/26/83/14/1072268314.db2.gz IXLNDUCXIDJGQI-CQSZACIVSA-N 1 2 391.424 -0.350 20 0 GBADLO CCOC(=O)COc1ccc(OCC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000610821585 1072268310 /nfs/dbraw/zinc/26/83/10/1072268310.db2.gz IXLNDUCXIDJGQI-CQSZACIVSA-N 1 2 391.424 -0.350 20 0 GBADLO COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000610837007 1072267660 /nfs/dbraw/zinc/26/76/60/1072267660.db2.gz CRHXLHGZUCEPAV-CVEARBPZSA-N 1 2 399.488 -0.408 20 0 GBADLO COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000610837013 1072268297 /nfs/dbraw/zinc/26/82/97/1072268297.db2.gz CRHXLHGZUCEPAV-HOTGVXAUSA-N 1 2 399.488 -0.408 20 0 GBADLO COC(=O)[C@@H](COC(C)C)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000610837015 1072267821 /nfs/dbraw/zinc/26/78/21/1072267821.db2.gz CRHXLHGZUCEPAV-HZPDHXFCSA-N 1 2 399.488 -0.408 20 0 GBADLO COC(=O)[C@@H](COC(C)C)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000610837018 1072268142 /nfs/dbraw/zinc/26/81/42/1072268142.db2.gz CRHXLHGZUCEPAV-JKSUJKDBSA-N 1 2 399.488 -0.408 20 0 GBADLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000610848973 1072268049 /nfs/dbraw/zinc/26/80/49/1072268049.db2.gz WVTHXCOBIHEYEI-CYBMUJFWSA-N 1 2 395.460 -0.278 20 0 GBADLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000610848973 1072268037 /nfs/dbraw/zinc/26/80/37/1072268037.db2.gz WVTHXCOBIHEYEI-CYBMUJFWSA-N 1 2 395.460 -0.278 20 0 GBADLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000610848974 1072267940 /nfs/dbraw/zinc/26/79/40/1072267940.db2.gz WVTHXCOBIHEYEI-ZDUSSCGKSA-N 1 2 395.460 -0.278 20 0 GBADLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000610848974 1072267926 /nfs/dbraw/zinc/26/79/26/1072267926.db2.gz WVTHXCOBIHEYEI-ZDUSSCGKSA-N 1 2 395.460 -0.278 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610924279 530345552 /nfs/dbraw/zinc/34/55/52/530345552.db2.gz JMLQTILJSAIWEF-KBPBESRZSA-N 1 2 379.548 -0.020 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610924280 530345757 /nfs/dbraw/zinc/34/57/57/530345757.db2.gz JMLQTILJSAIWEF-KGLIPLIRSA-N 1 2 379.548 -0.020 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610924281 530345636 /nfs/dbraw/zinc/34/56/36/530345636.db2.gz JMLQTILJSAIWEF-UONOGXRCSA-N 1 2 379.548 -0.020 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610924282 530345714 /nfs/dbraw/zinc/34/57/14/530345714.db2.gz JMLQTILJSAIWEF-ZIAGYGMSSA-N 1 2 379.548 -0.020 20 0 GBADLO CCOC(=O)CNC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cnn(C)c3)C2=O)CC1 ZINC000610927806 1072272790 /nfs/dbraw/zinc/27/27/90/1072272790.db2.gz PVPYPTYMRKRUEY-AWEZNQCLSA-N 1 2 391.428 -0.557 20 0 GBADLO CCOC(=O)CNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cnn(C)c3)C2=O)CC1 ZINC000610927807 1073921332 /nfs/dbraw/zinc/92/13/32/1073921332.db2.gz PVPYPTYMRKRUEY-CQSZACIVSA-N 1 2 391.428 -0.557 20 0 GBADLO CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000610941352 1072272393 /nfs/dbraw/zinc/27/23/93/1072272393.db2.gz BJUHVFIONZNYBS-CABCVRRESA-N 1 2 385.461 -0.796 20 0 GBADLO CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000610941353 1072272895 /nfs/dbraw/zinc/27/28/95/1072272895.db2.gz BJUHVFIONZNYBS-GJZGRUSLSA-N 1 2 385.461 -0.796 20 0 GBADLO CCOC[C@H](C(=O)OC)N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000610941354 1072272495 /nfs/dbraw/zinc/27/24/95/1072272495.db2.gz BJUHVFIONZNYBS-HUUCEWRRSA-N 1 2 385.461 -0.796 20 0 GBADLO CCOC[C@H](C(=O)OC)N(C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000610941355 1072272946 /nfs/dbraw/zinc/27/29/46/1072272946.db2.gz BJUHVFIONZNYBS-LSDHHAIUSA-N 1 2 385.461 -0.796 20 0 GBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCC(=O)NC(N)=O)CC1 ZINC000610962656 1072274775 /nfs/dbraw/zinc/27/47/75/1072274775.db2.gz ZLNRRRYXZNNYTM-UHFFFAOYSA-N 1 2 376.417 -0.219 20 0 GBADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611016591 1072278151 /nfs/dbraw/zinc/27/81/51/1072278151.db2.gz BMXJPJDGAQOGRV-CYBMUJFWSA-N 1 2 399.473 -0.311 20 0 GBADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611016591 1072278146 /nfs/dbraw/zinc/27/81/46/1072278146.db2.gz BMXJPJDGAQOGRV-CYBMUJFWSA-N 1 2 399.473 -0.311 20 0 GBADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611016592 1072278080 /nfs/dbraw/zinc/27/80/80/1072278080.db2.gz BMXJPJDGAQOGRV-ZDUSSCGKSA-N 1 2 399.473 -0.311 20 0 GBADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611016592 1072278068 /nfs/dbraw/zinc/27/80/68/1072278068.db2.gz BMXJPJDGAQOGRV-ZDUSSCGKSA-N 1 2 399.473 -0.311 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000611341892 530352313 /nfs/dbraw/zinc/35/23/13/530352313.db2.gz BBGPPDXTHRPWFK-HNNXBMFYSA-N 1 2 375.491 -0.087 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000611341894 530352458 /nfs/dbraw/zinc/35/24/58/530352458.db2.gz BBGPPDXTHRPWFK-OAHLLOKOSA-N 1 2 375.491 -0.087 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000611342076 530352376 /nfs/dbraw/zinc/35/23/76/530352376.db2.gz YRBVDHPHLZXHIZ-CABCVRRESA-N 1 2 375.491 -0.087 20 0 GBADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000611342077 530352571 /nfs/dbraw/zinc/35/25/71/530352571.db2.gz YRBVDHPHLZXHIZ-GJZGRUSLSA-N 1 2 375.491 -0.087 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000611342078 530352368 /nfs/dbraw/zinc/35/23/68/530352368.db2.gz YRBVDHPHLZXHIZ-HUUCEWRRSA-N 1 2 375.491 -0.087 20 0 GBADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000611342079 530352310 /nfs/dbraw/zinc/35/23/10/530352310.db2.gz YRBVDHPHLZXHIZ-LSDHHAIUSA-N 1 2 375.491 -0.087 20 0 GBADLO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000611607645 1072356233 /nfs/dbraw/zinc/35/62/33/1072356233.db2.gz QEFXRVVTFGZQTE-GFCCVEGCSA-N 1 2 379.413 -0.055 20 0 GBADLO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000611607646 1072355900 /nfs/dbraw/zinc/35/59/00/1072355900.db2.gz QEFXRVVTFGZQTE-LBPRGKRZSA-N 1 2 379.413 -0.055 20 0 GBADLO CN1CC[NH+]([C@H](CNC(=O)NCCS(N)(=O)=O)c2cccs2)CC1 ZINC000611673384 530353732 /nfs/dbraw/zinc/35/37/32/530353732.db2.gz NURVLVOKRRNORZ-GFCCVEGCSA-N 1 2 375.520 -0.376 20 0 GBADLO CN1CC[NH+]([C@@H](CNC(=O)NCCS(N)(=O)=O)c2cccs2)CC1 ZINC000611673412 530353695 /nfs/dbraw/zinc/35/36/95/530353695.db2.gz NURVLVOKRRNORZ-LBPRGKRZSA-N 1 2 375.520 -0.376 20 0 GBADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@H]2CCNC2=O)c2ccc(Cl)cc2)C1 ZINC000611674458 1072379259 /nfs/dbraw/zinc/37/92/59/1072379259.db2.gz JFMVGGQOQINRPR-KKUMJFAQSA-N 1 2 394.859 -0.167 20 0 GBADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)N[C@H]2CCNC2=O)c2ccc(Cl)cc2)C1 ZINC000611674458 1072379252 /nfs/dbraw/zinc/37/92/52/1072379252.db2.gz JFMVGGQOQINRPR-KKUMJFAQSA-N 1 2 394.859 -0.167 20 0 GBADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N[C@H]2CCNC2=O)c2ccc(Cl)cc2)C1 ZINC000611674462 1072379355 /nfs/dbraw/zinc/37/93/55/1072379355.db2.gz JFMVGGQOQINRPR-RRFJBIMHSA-N 1 2 394.859 -0.167 20 0 GBADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)N[C@H]2CCNC2=O)c2ccc(Cl)cc2)C1 ZINC000611674462 1072379352 /nfs/dbraw/zinc/37/93/52/1072379352.db2.gz JFMVGGQOQINRPR-RRFJBIMHSA-N 1 2 394.859 -0.167 20 0 GBADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@H]2CCNC2=O)c2ccc(Cl)cc2)C1 ZINC000611674465 1072379162 /nfs/dbraw/zinc/37/91/62/1072379162.db2.gz JFMVGGQOQINRPR-SOUVJXGZSA-N 1 2 394.859 -0.167 20 0 GBADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)N[C@H]2CCNC2=O)c2ccc(Cl)cc2)C1 ZINC000611674465 1072379148 /nfs/dbraw/zinc/37/91/48/1072379148.db2.gz JFMVGGQOQINRPR-SOUVJXGZSA-N 1 2 394.859 -0.167 20 0 GBADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N[C@H]2CCNC2=O)c2ccc(Cl)cc2)C1 ZINC000611674468 1072379315 /nfs/dbraw/zinc/37/93/15/1072379315.db2.gz JFMVGGQOQINRPR-ZNMIVQPWSA-N 1 2 394.859 -0.167 20 0 GBADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)N[C@H]2CCNC2=O)c2ccc(Cl)cc2)C1 ZINC000611674468 1072379313 /nfs/dbraw/zinc/37/93/13/1072379313.db2.gz JFMVGGQOQINRPR-ZNMIVQPWSA-N 1 2 394.859 -0.167 20 0 GBADLO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)nn1 ZINC000611691034 1072383543 /nfs/dbraw/zinc/38/35/43/1072383543.db2.gz KBPWDLDVKJVIJQ-AWEZNQCLSA-N 1 2 399.455 -0.148 20 0 GBADLO CCOc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)nn1 ZINC000611691036 1072383604 /nfs/dbraw/zinc/38/36/04/1072383604.db2.gz KBPWDLDVKJVIJQ-CQSZACIVSA-N 1 2 399.455 -0.148 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C[C@H]21 ZINC000611822126 1072546859 /nfs/dbraw/zinc/54/68/59/1072546859.db2.gz BAXNNJGJBDXEHQ-JONQDZQNSA-N 1 2 399.513 -0.610 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)C[C@H]21 ZINC000611822126 1072546846 /nfs/dbraw/zinc/54/68/46/1072546846.db2.gz BAXNNJGJBDXEHQ-JONQDZQNSA-N 1 2 399.513 -0.610 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C[C@H]21 ZINC000611822127 1072546820 /nfs/dbraw/zinc/54/68/20/1072546820.db2.gz BAXNNJGJBDXEHQ-QXSJWSMHSA-N 1 2 399.513 -0.610 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)C[C@H]21 ZINC000611822127 1072546811 /nfs/dbraw/zinc/54/68/11/1072546811.db2.gz BAXNNJGJBDXEHQ-QXSJWSMHSA-N 1 2 399.513 -0.610 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000611843856 530354311 /nfs/dbraw/zinc/35/43/11/530354311.db2.gz CZJPLQUILBZXDM-JHJVBQTASA-N 1 2 375.491 -0.849 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000611843856 530354307 /nfs/dbraw/zinc/35/43/07/530354307.db2.gz CZJPLQUILBZXDM-JHJVBQTASA-N 1 2 375.491 -0.849 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000611843857 530354544 /nfs/dbraw/zinc/35/45/44/530354544.db2.gz CZJPLQUILBZXDM-UPJWGTAASA-N 1 2 375.491 -0.849 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000611843857 530354542 /nfs/dbraw/zinc/35/45/42/530354542.db2.gz CZJPLQUILBZXDM-UPJWGTAASA-N 1 2 375.491 -0.849 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000611843858 530354509 /nfs/dbraw/zinc/35/45/09/530354509.db2.gz CZJPLQUILBZXDM-XQQFMLRXSA-N 1 2 375.491 -0.849 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000611843858 530354508 /nfs/dbraw/zinc/35/45/08/530354508.db2.gz CZJPLQUILBZXDM-XQQFMLRXSA-N 1 2 375.491 -0.849 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000611843859 530354402 /nfs/dbraw/zinc/35/44/02/530354402.db2.gz CZJPLQUILBZXDM-YNEHKIRRSA-N 1 2 375.491 -0.849 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000611843859 530354400 /nfs/dbraw/zinc/35/44/00/530354400.db2.gz CZJPLQUILBZXDM-YNEHKIRRSA-N 1 2 375.491 -0.849 20 0 GBADLO CCOC(=O)[C@H](CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000611861120 1072559742 /nfs/dbraw/zinc/55/97/42/1072559742.db2.gz VJUVGBSRVYXUCB-AWEZNQCLSA-N 1 2 378.429 -0.449 20 0 GBADLO CCOC(=O)[C@@H](CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000611861121 1072559376 /nfs/dbraw/zinc/55/93/76/1072559376.db2.gz VJUVGBSRVYXUCB-CQSZACIVSA-N 1 2 378.429 -0.449 20 0 GBADLO COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000611879377 1072568089 /nfs/dbraw/zinc/56/80/89/1072568089.db2.gz GBZXJNWTVJLDMK-CYBMUJFWSA-N 1 2 376.413 -0.013 20 0 GBADLO COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000611879384 1072568099 /nfs/dbraw/zinc/56/80/99/1072568099.db2.gz GBZXJNWTVJLDMK-ZDUSSCGKSA-N 1 2 376.413 -0.013 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000611955744 1072604098 /nfs/dbraw/zinc/60/40/98/1072604098.db2.gz IXLPGRFZELAZLK-CVEARBPZSA-N 1 2 381.473 -0.521 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000611955746 1072603999 /nfs/dbraw/zinc/60/39/99/1072603999.db2.gz IXLPGRFZELAZLK-HOTGVXAUSA-N 1 2 381.473 -0.521 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000611955748 1072604272 /nfs/dbraw/zinc/60/42/72/1072604272.db2.gz IXLPGRFZELAZLK-HZPDHXFCSA-N 1 2 381.473 -0.521 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000611955749 1072603727 /nfs/dbraw/zinc/60/37/27/1072603727.db2.gz IXLPGRFZELAZLK-JKSUJKDBSA-N 1 2 381.473 -0.521 20 0 GBADLO C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H]1CCO ZINC000611956273 1072604867 /nfs/dbraw/zinc/60/48/67/1072604867.db2.gz OQXYYBPDVCEGCL-DLBZAZTESA-N 1 2 397.516 -0.007 20 0 GBADLO C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H]1CCO ZINC000611956274 1072604963 /nfs/dbraw/zinc/60/49/63/1072604963.db2.gz OQXYYBPDVCEGCL-IAGOWNOFSA-N 1 2 397.516 -0.007 20 0 GBADLO C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@H]1CCO ZINC000611956275 1072605000 /nfs/dbraw/zinc/60/50/00/1072605000.db2.gz OQXYYBPDVCEGCL-IRXDYDNUSA-N 1 2 397.516 -0.007 20 0 GBADLO C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@H]1CCO ZINC000611956276 1072604936 /nfs/dbraw/zinc/60/49/36/1072604936.db2.gz OQXYYBPDVCEGCL-SJORKVTESA-N 1 2 397.516 -0.007 20 0 GBADLO O=C(NCCO[C@@H]1CC1(F)F)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000611956596 1072603979 /nfs/dbraw/zinc/60/39/79/1072603979.db2.gz RISPKICEHFHCKB-CYBMUJFWSA-N 1 2 391.415 -0.476 20 0 GBADLO O=C(NCCO[C@H]1CC1(F)F)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000611956597 1072603670 /nfs/dbraw/zinc/60/36/70/1072603670.db2.gz RISPKICEHFHCKB-ZDUSSCGKSA-N 1 2 391.415 -0.476 20 0 GBADLO C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000611956977 1072604256 /nfs/dbraw/zinc/60/42/56/1072604256.db2.gz VKEIAAPHNICDOI-DLBZAZTESA-N 1 2 397.516 -0.007 20 0 GBADLO C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000611956983 1072604929 /nfs/dbraw/zinc/60/49/29/1072604929.db2.gz VKEIAAPHNICDOI-IAGOWNOFSA-N 1 2 397.516 -0.007 20 0 GBADLO C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000611957003 1072604859 /nfs/dbraw/zinc/60/48/59/1072604859.db2.gz VKEIAAPHNICDOI-IRXDYDNUSA-N 1 2 397.516 -0.007 20 0 GBADLO C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000611957007 1072604910 /nfs/dbraw/zinc/60/49/10/1072604910.db2.gz VKEIAAPHNICDOI-SJORKVTESA-N 1 2 397.516 -0.007 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000611957194 1072604811 /nfs/dbraw/zinc/60/48/11/1072604811.db2.gz WTSFSODAUSPURT-FQEVSTJZSA-N 1 2 395.500 -0.253 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000611957195 1072604907 /nfs/dbraw/zinc/60/49/07/1072604907.db2.gz WTSFSODAUSPURT-HXUWFJFHSA-N 1 2 395.500 -0.253 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCc3cc(C)[nH+]c(C)c3)C[C@H]21 ZINC000611985846 1072644714 /nfs/dbraw/zinc/64/47/14/1072644714.db2.gz DYBSPFDMTPPVOU-ZNMIVQPWSA-N 1 2 381.454 -0.415 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1nc(C(N)=O)cs1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037013 1072657930 /nfs/dbraw/zinc/65/79/30/1072657930.db2.gz CGJROEDMTRIJMD-GARJFASQSA-N 1 2 383.474 -0.528 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1nc(C(N)=O)cs1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037013 1072657926 /nfs/dbraw/zinc/65/79/26/1072657926.db2.gz CGJROEDMTRIJMD-GARJFASQSA-N 1 2 383.474 -0.528 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1nc(C(N)=O)cs1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037014 1072657688 /nfs/dbraw/zinc/65/76/88/1072657688.db2.gz CGJROEDMTRIJMD-MXWKQRLJSA-N 1 2 383.474 -0.528 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1nc(C(N)=O)cs1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037014 1072657682 /nfs/dbraw/zinc/65/76/82/1072657682.db2.gz CGJROEDMTRIJMD-MXWKQRLJSA-N 1 2 383.474 -0.528 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612041089 1072658053 /nfs/dbraw/zinc/65/80/53/1072658053.db2.gz PRQNZSXNTSQDDP-CAOSSQGBSA-N 1 2 378.477 -0.260 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612041089 1072658050 /nfs/dbraw/zinc/65/80/50/1072658050.db2.gz PRQNZSXNTSQDDP-CAOSSQGBSA-N 1 2 378.477 -0.260 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612041090 1072657968 /nfs/dbraw/zinc/65/79/68/1072657968.db2.gz PRQNZSXNTSQDDP-JONQDZQNSA-N 1 2 378.477 -0.260 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612041090 1072657965 /nfs/dbraw/zinc/65/79/65/1072657965.db2.gz PRQNZSXNTSQDDP-JONQDZQNSA-N 1 2 378.477 -0.260 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612041091 1072658071 /nfs/dbraw/zinc/65/80/71/1072658071.db2.gz PRQNZSXNTSQDDP-LVQVYYBASA-N 1 2 378.477 -0.260 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612041091 1072658067 /nfs/dbraw/zinc/65/80/67/1072658067.db2.gz PRQNZSXNTSQDDP-LVQVYYBASA-N 1 2 378.477 -0.260 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612041092 1072657708 /nfs/dbraw/zinc/65/77/08/1072657708.db2.gz PRQNZSXNTSQDDP-WCVJEAGWSA-N 1 2 378.477 -0.260 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612041092 1072657703 /nfs/dbraw/zinc/65/77/03/1072657703.db2.gz PRQNZSXNTSQDDP-WCVJEAGWSA-N 1 2 378.477 -0.260 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)C[C@H]21 ZINC000612044550 1072658806 /nfs/dbraw/zinc/65/88/06/1072658806.db2.gz NAYIXMOMXGHKNV-GCSSGZNBSA-N 1 2 399.513 -0.610 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@H]21 ZINC000612044550 1072658798 /nfs/dbraw/zinc/65/87/98/1072658798.db2.gz NAYIXMOMXGHKNV-GCSSGZNBSA-N 1 2 399.513 -0.610 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)C[C@H]21 ZINC000612044551 1072658686 /nfs/dbraw/zinc/65/86/86/1072658686.db2.gz NAYIXMOMXGHKNV-GVRJEKJASA-N 1 2 399.513 -0.610 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C[C@H]21 ZINC000612044551 1072658684 /nfs/dbraw/zinc/65/86/84/1072658684.db2.gz NAYIXMOMXGHKNV-GVRJEKJASA-N 1 2 399.513 -0.610 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C[C@H]21 ZINC000612044552 1072658870 /nfs/dbraw/zinc/65/88/70/1072658870.db2.gz NAYIXMOMXGHKNV-NPJQDHAYSA-N 1 2 399.513 -0.610 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C[C@H]21 ZINC000612044552 1072658862 /nfs/dbraw/zinc/65/88/62/1072658862.db2.gz NAYIXMOMXGHKNV-NPJQDHAYSA-N 1 2 399.513 -0.610 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)C[C@H]21 ZINC000612044555 1072658540 /nfs/dbraw/zinc/65/85/40/1072658540.db2.gz NAYIXMOMXGHKNV-RBZJEDDUSA-N 1 2 399.513 -0.610 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@H]21 ZINC000612044555 1072658532 /nfs/dbraw/zinc/65/85/32/1072658532.db2.gz NAYIXMOMXGHKNV-RBZJEDDUSA-N 1 2 399.513 -0.610 20 0 GBADLO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000612060555 530356745 /nfs/dbraw/zinc/35/67/45/530356745.db2.gz BCEVUDNSJSWJSN-DZGCQCFKSA-N 1 2 377.507 -0.756 20 0 GBADLO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000612060558 530356796 /nfs/dbraw/zinc/35/67/96/530356796.db2.gz BCEVUDNSJSWJSN-UKRRQHHQSA-N 1 2 377.507 -0.756 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000612062027 1072659613 /nfs/dbraw/zinc/65/96/13/1072659613.db2.gz KBNHIQCPALIIJV-BPQIPLTHSA-N 1 2 392.456 -0.869 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000612062028 1072659639 /nfs/dbraw/zinc/65/96/39/1072659639.db2.gz KBNHIQCPALIIJV-RYQLBKOJSA-N 1 2 392.456 -0.869 20 0 GBADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cn(C)nn2)n1C[C@@H]1CCOC1 ZINC000612153675 1072688389 /nfs/dbraw/zinc/68/83/89/1072688389.db2.gz ZYHYSWRTWGUWRK-AWEZNQCLSA-N 1 2 376.465 -0.122 20 0 GBADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cn(C)nn2)n1C[C@H]1CCOC1 ZINC000612153678 1072688077 /nfs/dbraw/zinc/68/80/77/1072688077.db2.gz ZYHYSWRTWGUWRK-CQSZACIVSA-N 1 2 376.465 -0.122 20 0 GBADLO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000612191616 530359944 /nfs/dbraw/zinc/35/99/44/530359944.db2.gz SBWQWWDCZHZAKR-CHWSQXEVSA-N 1 2 375.491 -0.753 20 0 GBADLO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000612191617 530359929 /nfs/dbraw/zinc/35/99/29/530359929.db2.gz SBWQWWDCZHZAKR-OLZOCXBDSA-N 1 2 375.491 -0.753 20 0 GBADLO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC000612191618 530359854 /nfs/dbraw/zinc/35/98/54/530359854.db2.gz SBWQWWDCZHZAKR-QWHCGFSZSA-N 1 2 375.491 -0.753 20 0 GBADLO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC1 ZINC000612191619 530359901 /nfs/dbraw/zinc/35/99/01/530359901.db2.gz SBWQWWDCZHZAKR-STQMWFEESA-N 1 2 375.491 -0.753 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000612194190 1072752947 /nfs/dbraw/zinc/75/29/47/1072752947.db2.gz BBWXYFHQKOWPEX-KBPBESRZSA-N 1 2 387.458 -0.902 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000612194191 1072752569 /nfs/dbraw/zinc/75/25/69/1072752569.db2.gz BBWXYFHQKOWPEX-KGLIPLIRSA-N 1 2 387.458 -0.902 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000612194192 1072752993 /nfs/dbraw/zinc/75/29/93/1072752993.db2.gz BBWXYFHQKOWPEX-UONOGXRCSA-N 1 2 387.458 -0.902 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000612194193 1072752807 /nfs/dbraw/zinc/75/28/07/1072752807.db2.gz BBWXYFHQKOWPEX-ZIAGYGMSSA-N 1 2 387.458 -0.902 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000612194547 1072750805 /nfs/dbraw/zinc/75/08/05/1072750805.db2.gz CXPAOTLAHIAIOZ-IGQOVBAYSA-N 1 2 384.458 -0.779 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000612194548 1072751640 /nfs/dbraw/zinc/75/16/40/1072751640.db2.gz CXPAOTLAHIAIOZ-XDQVBPFNSA-N 1 2 384.458 -0.779 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000612194549 1072752069 /nfs/dbraw/zinc/75/20/69/1072752069.db2.gz CXPAOTLAHIAIOZ-XJFOESAGSA-N 1 2 384.458 -0.779 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000612194550 1072754224 /nfs/dbraw/zinc/75/42/24/1072754224.db2.gz CXPAOTLAHIAIOZ-ZOBORPQBSA-N 1 2 384.458 -0.779 20 0 GBADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)c1C ZINC000612196187 1072758653 /nfs/dbraw/zinc/75/86/53/1072758653.db2.gz JUUGUAGJAHITBM-KBPBESRZSA-N 1 2 399.469 -0.406 20 0 GBADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)c1C ZINC000612196189 1072758112 /nfs/dbraw/zinc/75/81/12/1072758112.db2.gz JUUGUAGJAHITBM-KGLIPLIRSA-N 1 2 399.469 -0.406 20 0 GBADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)c1C ZINC000612196190 1072758559 /nfs/dbraw/zinc/75/85/59/1072758559.db2.gz JUUGUAGJAHITBM-UONOGXRCSA-N 1 2 399.469 -0.406 20 0 GBADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)c1C ZINC000612196193 1072758640 /nfs/dbraw/zinc/75/86/40/1072758640.db2.gz JUUGUAGJAHITBM-ZIAGYGMSSA-N 1 2 399.469 -0.406 20 0 GBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612203444 1072764539 /nfs/dbraw/zinc/76/45/39/1072764539.db2.gz AIQARNIFDLOAQN-CYBMUJFWSA-N 1 2 393.444 -0.142 20 0 GBADLO NS(=O)(=O)c1ccsc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000612388235 530362161 /nfs/dbraw/zinc/36/21/61/530362161.db2.gz FFRQBTHKRMTUKJ-GFCCVEGCSA-N 1 2 389.499 -0.041 20 0 GBADLO NS(=O)(=O)c1ccsc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000612388236 530361992 /nfs/dbraw/zinc/36/19/92/530361992.db2.gz FFRQBTHKRMTUKJ-LBPRGKRZSA-N 1 2 389.499 -0.041 20 0 GBADLO Cc1cc(S(N)(=O)=O)oc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000612388273 1072813615 /nfs/dbraw/zinc/81/36/15/1072813615.db2.gz GHSYIZJIBDTMJZ-CYBMUJFWSA-N 1 2 387.458 -0.201 20 0 GBADLO Cc1cc(S(N)(=O)=O)oc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000612388274 1072813550 /nfs/dbraw/zinc/81/35/50/1072813550.db2.gz GHSYIZJIBDTMJZ-ZDUSSCGKSA-N 1 2 387.458 -0.201 20 0 GBADLO O=C(CC1(n2cnnn2)CCOCC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000612388415 1072814600 /nfs/dbraw/zinc/81/46/00/1072814600.db2.gz HFJZMOBHPJPDQR-INIZCTEOSA-N 1 2 394.476 -0.481 20 0 GBADLO O=C(CC1(n2cnnn2)CCOCC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000612388416 1072814234 /nfs/dbraw/zinc/81/42/34/1072814234.db2.gz HFJZMOBHPJPDQR-MRXNPFEDSA-N 1 2 394.476 -0.481 20 0 GBADLO O=C(N1CC[C@H](OCC[NH+]2CCOCC2)C1)C1(n2cnnn2)CCOCC1 ZINC000612388881 1072814224 /nfs/dbraw/zinc/81/42/24/1072814224.db2.gz MKOYDKHPNVCROB-HNNXBMFYSA-N 1 2 380.449 -0.872 20 0 GBADLO O=C(N1CC[C@@H](OCC[NH+]2CCOCC2)C1)C1(n2cnnn2)CCOCC1 ZINC000612388882 1072814565 /nfs/dbraw/zinc/81/45/65/1072814565.db2.gz MKOYDKHPNVCROB-OAHLLOKOSA-N 1 2 380.449 -0.872 20 0 GBADLO Nc1ncnc2c1ncn2CCC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000612389752 1072814512 /nfs/dbraw/zinc/81/45/12/1072814512.db2.gz WVHPAMTUGDCXKD-AWEZNQCLSA-N 1 2 389.460 -0.252 20 0 GBADLO Nc1ncnc2c1ncn2CCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000612389765 1072814377 /nfs/dbraw/zinc/81/43/77/1072814377.db2.gz WVHPAMTUGDCXKD-CQSZACIVSA-N 1 2 389.460 -0.252 20 0 GBADLO Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000612389877 1072814741 /nfs/dbraw/zinc/81/47/41/1072814741.db2.gz XRYIXUBBXJNPBJ-AWEZNQCLSA-N 1 2 398.485 -0.248 20 0 GBADLO Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000612389878 1072814534 /nfs/dbraw/zinc/81/45/34/1072814534.db2.gz XRYIXUBBXJNPBJ-CQSZACIVSA-N 1 2 398.485 -0.248 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000612476952 1072824045 /nfs/dbraw/zinc/82/40/45/1072824045.db2.gz QKKLBITWVVYQTQ-DOTOQJQBSA-N 1 2 377.441 -0.353 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000612476953 1072824174 /nfs/dbraw/zinc/82/41/74/1072824174.db2.gz QKKLBITWVVYQTQ-NVXWUHKLSA-N 1 2 377.441 -0.353 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000612476954 1072824371 /nfs/dbraw/zinc/82/43/71/1072824371.db2.gz QKKLBITWVVYQTQ-RDJZCZTQSA-N 1 2 377.441 -0.353 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000612476955 1072824662 /nfs/dbraw/zinc/82/46/62/1072824662.db2.gz QKKLBITWVVYQTQ-WBVHZDCISA-N 1 2 377.441 -0.353 20 0 GBADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)c1 ZINC000612529495 1072830603 /nfs/dbraw/zinc/83/06/03/1072830603.db2.gz FMGXQHNQKKEEBB-HNNXBMFYSA-N 1 2 376.413 -0.184 20 0 GBADLO COc1cccc(OCC[NH+]2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC2)c1 ZINC000612530474 1072830450 /nfs/dbraw/zinc/83/04/50/1072830450.db2.gz TUWKXCIMVKHNIB-GUDVDZBRSA-N 1 2 392.452 -0.369 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000612613954 1072845620 /nfs/dbraw/zinc/84/56/20/1072845620.db2.gz WBOZEMCKNOKRIZ-HNNXBMFYSA-N 1 2 382.505 -0.070 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000612613955 1072845878 /nfs/dbraw/zinc/84/58/78/1072845878.db2.gz WBOZEMCKNOKRIZ-OAHLLOKOSA-N 1 2 382.505 -0.070 20 0 GBADLO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000612675996 530362599 /nfs/dbraw/zinc/36/25/99/530362599.db2.gz SJWXBTQKFYYNIR-OAHLLOKOSA-N 1 2 377.507 -0.754 20 0 GBADLO Cc1ccc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000612683631 1072855256 /nfs/dbraw/zinc/85/52/56/1072855256.db2.gz HUCGUSKYNKZLCG-UHFFFAOYSA-N 1 2 399.517 -0.050 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC(O)CC1 ZINC000612711893 1072859102 /nfs/dbraw/zinc/85/91/02/1072859102.db2.gz BRLJSWGSHYFIJR-UHFFFAOYSA-N 1 2 397.501 -0.300 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1cc[nH]n1 ZINC000612711948 1072861422 /nfs/dbraw/zinc/86/14/22/1072861422.db2.gz ORLLDFLQWLMUQB-UHFFFAOYSA-N 1 2 393.473 -0.244 20 0 GBADLO COc1cc2nc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)c(=O)n(C)c2cc1OC ZINC000612748581 1072865914 /nfs/dbraw/zinc/86/59/14/1072865914.db2.gz YSQKHCAZMILXRO-GFCCVEGCSA-N 1 2 387.440 -0.320 20 0 GBADLO COc1cc2nc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)c(=O)n(C)c2cc1OC ZINC000612748582 1072866320 /nfs/dbraw/zinc/86/63/20/1072866320.db2.gz YSQKHCAZMILXRO-LBPRGKRZSA-N 1 2 387.440 -0.320 20 0 GBADLO CCn1nccc1CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000612827366 1072879410 /nfs/dbraw/zinc/87/94/10/1072879410.db2.gz MHLGFTSKMIUBLA-UHFFFAOYSA-N 1 2 397.443 -0.455 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2ccnn2CC)CC1 ZINC000612827752 1072879318 /nfs/dbraw/zinc/87/93/18/1072879318.db2.gz WEQRMQYGJYTGGE-UHFFFAOYSA-N 1 2 392.504 -0.078 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2ccnn2CC)CC1 ZINC000612827752 1072879311 /nfs/dbraw/zinc/87/93/11/1072879311.db2.gz WEQRMQYGJYTGGE-UHFFFAOYSA-N 1 2 392.504 -0.078 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000612904553 1072887217 /nfs/dbraw/zinc/88/72/17/1072887217.db2.gz JANSQSADSLEGDV-LLVKDONJSA-N 1 2 377.426 -0.355 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000612904571 1072887099 /nfs/dbraw/zinc/88/70/99/1072887099.db2.gz JANSQSADSLEGDV-NSHDSACASA-N 1 2 377.426 -0.355 20 0 GBADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000613130801 1072909752 /nfs/dbraw/zinc/90/97/52/1072909752.db2.gz WQOMKIVXLHGCAE-INIZCTEOSA-N 1 2 379.457 -0.081 20 0 GBADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000613130802 1072909737 /nfs/dbraw/zinc/90/97/37/1072909737.db2.gz WQOMKIVXLHGCAE-MRXNPFEDSA-N 1 2 379.457 -0.081 20 0 GBADLO CN(C)C(=O)C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000613251899 530407177 /nfs/dbraw/zinc/40/71/77/530407177.db2.gz IWDWBRQFLQNJIE-UHFFFAOYSA-N 1 2 388.515 -0.351 20 0 GBADLO O=C(CN1CC[NH+](CCc2nnnn2-c2ccccc2)CC1)N1CCOCC1 ZINC000613338450 1072934964 /nfs/dbraw/zinc/93/49/64/1072934964.db2.gz KWAZORZATRAFEB-UHFFFAOYSA-N 1 2 385.472 -0.319 20 0 GBADLO CC(C)OC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000613410139 530462993 /nfs/dbraw/zinc/46/29/93/530462993.db2.gz RFDOHGBOSZRXIZ-BZUAXINKSA-N 1 2 379.523 -0.256 20 0 GBADLO CC(C)OC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000613410142 530463213 /nfs/dbraw/zinc/46/32/13/530463213.db2.gz RFDOHGBOSZRXIZ-HRCADAONSA-N 1 2 379.523 -0.256 20 0 GBADLO CC(C)OC[C@H](O)C[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000613410143 530462988 /nfs/dbraw/zinc/46/29/88/530462988.db2.gz RFDOHGBOSZRXIZ-OWCLPIDISA-N 1 2 379.523 -0.256 20 0 GBADLO CC(C)OC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000613410144 530462938 /nfs/dbraw/zinc/46/29/38/530462938.db2.gz RFDOHGBOSZRXIZ-XHSDSOJGSA-N 1 2 379.523 -0.256 20 0 GBADLO CC(C)COC[C@@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613417188 530463083 /nfs/dbraw/zinc/46/30/83/530463083.db2.gz PXNLQTQEVXHBPT-INIZCTEOSA-N 1 2 378.539 -0.870 20 0 GBADLO CC(C)COC[C@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000613417191 530463231 /nfs/dbraw/zinc/46/32/31/530463231.db2.gz PXNLQTQEVXHBPT-MRXNPFEDSA-N 1 2 378.539 -0.870 20 0 GBADLO CCc1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n2ncnc2n1 ZINC000613436401 1072943882 /nfs/dbraw/zinc/94/38/82/1072943882.db2.gz HFVUFQIQLCXWKC-UHFFFAOYSA-N 1 2 394.505 -0.699 20 0 GBADLO O=C(NC[C@@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCc2cncn2C1 ZINC000613472693 1072945449 /nfs/dbraw/zinc/94/54/49/1072945449.db2.gz RJLGSUCSDKCZHV-ILXRZTDVSA-N 1 2 386.456 -0.502 20 0 GBADLO O=C(NC[C@@H](CO)NC(=O)[C@H]1CCc2cncn2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000613472693 1072945440 /nfs/dbraw/zinc/94/54/40/1072945440.db2.gz RJLGSUCSDKCZHV-ILXRZTDVSA-N 1 2 386.456 -0.502 20 0 GBADLO O=C(NC[C@@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCc2cncn2C1 ZINC000613472694 1072945748 /nfs/dbraw/zinc/94/57/48/1072945748.db2.gz RJLGSUCSDKCZHV-KFWWJZLASA-N 1 2 386.456 -0.502 20 0 GBADLO O=C(NC[C@@H](CO)NC(=O)[C@@H]1CCc2cncn2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000613472694 1072945741 /nfs/dbraw/zinc/94/57/41/1072945741.db2.gz RJLGSUCSDKCZHV-KFWWJZLASA-N 1 2 386.456 -0.502 20 0 GBADLO O=C(NC[C@@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCc2cncn2C1 ZINC000613472695 1072945815 /nfs/dbraw/zinc/94/58/15/1072945815.db2.gz RJLGSUCSDKCZHV-KKUMJFAQSA-N 1 2 386.456 -0.502 20 0 GBADLO O=C(NC[C@@H](CO)NC(=O)[C@H]1CCc2cncn2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000613472695 1072945809 /nfs/dbraw/zinc/94/58/09/1072945809.db2.gz RJLGSUCSDKCZHV-KKUMJFAQSA-N 1 2 386.456 -0.502 20 0 GBADLO Cc1nc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3N)CC2)cc[nH+]1 ZINC000613497738 1072950094 /nfs/dbraw/zinc/95/00/94/1072950094.db2.gz ADFURWGVBPCWHV-UHFFFAOYSA-N 1 2 390.469 -0.006 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)cc[nH+]1 ZINC000613500357 1072951435 /nfs/dbraw/zinc/95/14/35/1072951435.db2.gz OSXDPNWTFZDARQ-UHFFFAOYSA-N 1 2 392.441 -0.698 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@@H+](C)CC(=O)N1CCCC1)S(C)(=O)=O ZINC000613502517 530465956 /nfs/dbraw/zinc/46/59/56/530465956.db2.gz JLPHCTIUFHJLCI-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO CC(C)N(CCCNC(=O)C[N@H+](C)CC(=O)N1CCCC1)S(C)(=O)=O ZINC000613502517 530465953 /nfs/dbraw/zinc/46/59/53/530465953.db2.gz JLPHCTIUFHJLCI-UHFFFAOYSA-N 1 2 376.523 -0.283 20 0 GBADLO O=C(NC1CC1)C(=O)N1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000613532908 1072979851 /nfs/dbraw/zinc/97/98/51/1072979851.db2.gz LNOWTUGWUBOGFZ-UHFFFAOYSA-N 1 2 384.440 -0.039 20 0 GBADLO CC1(C)NC(=O)N(CCC[NH+]2CCN(C(=O)CN3CCOCC3)CC2)C1=O ZINC000613557810 1073018427 /nfs/dbraw/zinc/01/84/27/1073018427.db2.gz DPKRCANFTAAMQE-UHFFFAOYSA-N 1 2 381.477 -0.817 20 0 GBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613633812 1073134035 /nfs/dbraw/zinc/13/40/35/1073134035.db2.gz NSPIFOSVXNASPN-HUUCEWRRSA-N 1 2 396.517 -0.473 20 0 GBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613633812 1073134033 /nfs/dbraw/zinc/13/40/33/1073134033.db2.gz NSPIFOSVXNASPN-HUUCEWRRSA-N 1 2 396.517 -0.473 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613633813 1073134212 /nfs/dbraw/zinc/13/42/12/1073134212.db2.gz NSPIFOSVXNASPN-LSDHHAIUSA-N 1 2 396.517 -0.473 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613633813 1073134210 /nfs/dbraw/zinc/13/42/10/1073134210.db2.gz NSPIFOSVXNASPN-LSDHHAIUSA-N 1 2 396.517 -0.473 20 0 GBADLO CC(C)(CNC(=O)CN1CCC[C@H](NS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000613635275 530466637 /nfs/dbraw/zinc/46/66/37/530466637.db2.gz VVTLRXSPENLNNY-AWEZNQCLSA-N 1 2 376.523 -0.773 20 0 GBADLO CC(C)(CNC(=O)CN1CCC[C@@H](NS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000613635277 530466562 /nfs/dbraw/zinc/46/65/62/530466562.db2.gz VVTLRXSPENLNNY-CQSZACIVSA-N 1 2 376.523 -0.773 20 0 GBADLO CCCC(=O)NC1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000613659474 1073145694 /nfs/dbraw/zinc/14/56/94/1073145694.db2.gz PIEWWWWXOSXZFU-LLVKDONJSA-N 1 2 379.461 -0.382 20 0 GBADLO CCCC(=O)NC1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000613659478 1073145844 /nfs/dbraw/zinc/14/58/44/1073145844.db2.gz PIEWWWWXOSXZFU-NSHDSACASA-N 1 2 379.461 -0.382 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[NH+]1CCC(NC(=O)COC)CC1)c1ccccc1 ZINC000613688326 1073244238 /nfs/dbraw/zinc/24/42/38/1073244238.db2.gz PJPXVNWHKGNILF-GOSISDBHSA-N 1 2 376.457 -0.183 20 0 GBADLO CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(NC(=O)COC)CC1)c1ccccc1 ZINC000613688327 1073244347 /nfs/dbraw/zinc/24/43/47/1073244347.db2.gz PJPXVNWHKGNILF-SFHVURJKSA-N 1 2 376.457 -0.183 20 0 GBADLO COCC(=O)NC1CC[NH+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000613689177 1073248504 /nfs/dbraw/zinc/24/85/04/1073248504.db2.gz ZCGGSICOSSCQIJ-UHFFFAOYSA-N 1 2 398.485 -0.192 20 0 GBADLO Cn1cccc1C(=O)N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000613717831 1073282444 /nfs/dbraw/zinc/28/24/44/1073282444.db2.gz XEOZDGCRGMGCRV-UHFFFAOYSA-N 1 2 399.455 -0.770 20 0 GBADLO CC1(C)NC(=O)N(CCC[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)C1=O ZINC000613731621 1073291513 /nfs/dbraw/zinc/29/15/13/1073291513.db2.gz MPQUSXPNNDDPCM-UHFFFAOYSA-N 1 2 379.461 -0.527 20 0 GBADLO CCC(=O)N[C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000613742977 1073341219 /nfs/dbraw/zinc/34/12/19/1073341219.db2.gz WZFJIRWIMKROSZ-AWEZNQCLSA-N 1 2 397.501 -0.436 20 0 GBADLO CCC(=O)N[C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000613742978 1073341346 /nfs/dbraw/zinc/34/13/46/1073341346.db2.gz WZFJIRWIMKROSZ-CQSZACIVSA-N 1 2 397.501 -0.436 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)c2)CC1 ZINC000613765246 1073396638 /nfs/dbraw/zinc/39/66/38/1073396638.db2.gz ARZMJVCQXAIWBA-GUDVDZBRSA-N 1 2 389.452 -0.298 20 0 GBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000613765557 1073394567 /nfs/dbraw/zinc/39/45/67/1073394567.db2.gz KYXKLCNANKAWTE-UHFFFAOYSA-N 1 2 397.501 -0.315 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CNS(=O)(=O)N(C)C)c2)CC1 ZINC000613768388 1073406173 /nfs/dbraw/zinc/40/61/73/1073406173.db2.gz RZMTYBWPLBMXTC-UHFFFAOYSA-N 1 2 397.501 -0.315 20 0 GBADLO CCOC1CC(CNC(=O)[C@H]2CCN=C3C2=NNN3C)([NH+]2CCOCC2)C1 ZINC000614054451 1073743044 /nfs/dbraw/zinc/74/30/44/1073743044.db2.gz FBHOVSTYIIWDDI-FVRSWCFKSA-N 1 2 378.477 -0.403 20 0 GBADLO CCOC1CC(CNC(=O)[C@@H]2CCN=C3C2=NNN3C)([NH+]2CCOCC2)C1 ZINC000614054452 1073743387 /nfs/dbraw/zinc/74/33/87/1073743387.db2.gz FBHOVSTYIIWDDI-TXKKKEFDSA-N 1 2 378.477 -0.403 20 0 GBADLO CCC[C@@H](C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1)S(N)(=O)=O ZINC000614056022 530468086 /nfs/dbraw/zinc/46/80/86/530468086.db2.gz RCXGYGKUYMQEQF-BBBYJDLNSA-N 1 2 377.507 -0.170 20 0 GBADLO CCC[C@H](C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1)S(N)(=O)=O ZINC000614056027 530468116 /nfs/dbraw/zinc/46/81/16/530468116.db2.gz RCXGYGKUYMQEQF-NPCAHTBFSA-N 1 2 377.507 -0.170 20 0 GBADLO CCOC1CC(CNC(=O)[C@H](C)NS(=O)(=O)CC)([NH+]2CCOCC2)C1 ZINC000614056296 530468208 /nfs/dbraw/zinc/46/82/08/530468208.db2.gz RNKFEXMELZGNRF-HLIUYOAVSA-N 1 2 377.507 -0.300 20 0 GBADLO CCOC1CC(CNC(=O)[C@@H](C)NS(=O)(=O)CC)([NH+]2CCOCC2)C1 ZINC000614056298 530468308 /nfs/dbraw/zinc/46/83/08/530468308.db2.gz RNKFEXMELZGNRF-VQCLRJIVSA-N 1 2 377.507 -0.300 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000614183436 1073865585 /nfs/dbraw/zinc/86/55/85/1073865585.db2.gz RPHCDUUHHOGZJI-GFCCVEGCSA-N 1 2 378.410 -0.070 20 0 GBADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)C3(n4cnnn4)CCOCC3)cc2C1 ZINC000614183572 1073866401 /nfs/dbraw/zinc/86/64/01/1073866401.db2.gz UUCRUAAEENURCK-UHFFFAOYSA-N 1 2 385.428 -0.339 20 0 GBADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)C3(n4cnnn4)CCOCC3)cc2C1 ZINC000614183572 1073866391 /nfs/dbraw/zinc/86/63/91/1073866391.db2.gz UUCRUAAEENURCK-UHFFFAOYSA-N 1 2 385.428 -0.339 20 0 GBADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)cc2C1 ZINC000614184055 1073866521 /nfs/dbraw/zinc/86/65/21/1073866521.db2.gz YRAAOXSLVYNUKA-CYBMUJFWSA-N 1 2 395.485 -0.616 20 0 GBADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)cc2C1 ZINC000614184055 1073866511 /nfs/dbraw/zinc/86/65/11/1073866511.db2.gz YRAAOXSLVYNUKA-CYBMUJFWSA-N 1 2 395.485 -0.616 20 0 GBADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)cc2C1 ZINC000614184056 1073866476 /nfs/dbraw/zinc/86/64/76/1073866476.db2.gz YRAAOXSLVYNUKA-ZDUSSCGKSA-N 1 2 395.485 -0.616 20 0 GBADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)cc2C1 ZINC000614184056 1073866465 /nfs/dbraw/zinc/86/64/65/1073866465.db2.gz YRAAOXSLVYNUKA-ZDUSSCGKSA-N 1 2 395.485 -0.616 20 0 GBADLO CCC(=O)N1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000614357451 1073924460 /nfs/dbraw/zinc/92/44/60/1073924460.db2.gz GEVWUIKAVVLRSO-UHFFFAOYSA-N 1 2 396.513 -0.063 20 0 GBADLO CCC(=O)N1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000614357451 1073924453 /nfs/dbraw/zinc/92/44/53/1073924453.db2.gz GEVWUIKAVVLRSO-UHFFFAOYSA-N 1 2 396.513 -0.063 20 0 GBADLO CCC(=O)N1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000614357533 1073924186 /nfs/dbraw/zinc/92/41/86/1073924186.db2.gz WRISZZYPMGTPIV-UHFFFAOYSA-N 1 2 395.548 -0.010 20 0 GBADLO CCC(=O)N1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000614357533 1073924179 /nfs/dbraw/zinc/92/41/79/1073924179.db2.gz WRISZZYPMGTPIV-UHFFFAOYSA-N 1 2 395.548 -0.010 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1Cl ZINC000614411883 530468605 /nfs/dbraw/zinc/46/86/05/530468605.db2.gz GONPLKNYZSPSAE-LLVKDONJSA-N 1 2 377.850 -0.590 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)cc1Cl ZINC000614411888 530468391 /nfs/dbraw/zinc/46/83/91/530468391.db2.gz GONPLKNYZSPSAE-NSHDSACASA-N 1 2 377.850 -0.590 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000614488906 1073971585 /nfs/dbraw/zinc/97/15/85/1073971585.db2.gz QBBWFYFXRFYOHO-ZDUSSCGKSA-N 1 2 398.485 -0.574 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000614503762 1072525305 /nfs/dbraw/zinc/52/53/05/1072525305.db2.gz RQXVEGMHFGRIOT-CYBMUJFWSA-N 1 2 382.486 -0.238 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000614503762 1072525301 /nfs/dbraw/zinc/52/53/01/1072525301.db2.gz RQXVEGMHFGRIOT-CYBMUJFWSA-N 1 2 382.486 -0.238 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000614503763 1072524263 /nfs/dbraw/zinc/52/42/63/1072524263.db2.gz RQXVEGMHFGRIOT-ZDUSSCGKSA-N 1 2 382.486 -0.238 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000614503763 1072524257 /nfs/dbraw/zinc/52/42/57/1072524257.db2.gz RQXVEGMHFGRIOT-ZDUSSCGKSA-N 1 2 382.486 -0.238 20 0 GBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614505516 1072622036 /nfs/dbraw/zinc/62/20/36/1072622036.db2.gz PYGCZCCUHOAGPX-CYBMUJFWSA-N 1 2 392.485 -0.653 20 0 GBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614505516 1072622030 /nfs/dbraw/zinc/62/20/30/1072622030.db2.gz PYGCZCCUHOAGPX-CYBMUJFWSA-N 1 2 392.485 -0.653 20 0 GBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614505518 1072622381 /nfs/dbraw/zinc/62/23/81/1072622381.db2.gz PYGCZCCUHOAGPX-ZDUSSCGKSA-N 1 2 392.485 -0.653 20 0 GBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614505518 1072622376 /nfs/dbraw/zinc/62/23/76/1072622376.db2.gz PYGCZCCUHOAGPX-ZDUSSCGKSA-N 1 2 392.485 -0.653 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000614505763 1072619359 /nfs/dbraw/zinc/61/93/59/1072619359.db2.gz STVLQZFFKFSHLK-INIZCTEOSA-N 1 2 380.514 -0.015 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000614505763 1072619356 /nfs/dbraw/zinc/61/93/56/1072619356.db2.gz STVLQZFFKFSHLK-INIZCTEOSA-N 1 2 380.514 -0.015 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000614505764 1072619526 /nfs/dbraw/zinc/61/95/26/1072619526.db2.gz STVLQZFFKFSHLK-MRXNPFEDSA-N 1 2 380.514 -0.015 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000614505764 1072619523 /nfs/dbraw/zinc/61/95/23/1072619523.db2.gz STVLQZFFKFSHLK-MRXNPFEDSA-N 1 2 380.514 -0.015 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614505776 1072619492 /nfs/dbraw/zinc/61/94/92/1072619492.db2.gz ALODDBAOJRAKIH-INIZCTEOSA-N 1 2 394.497 -0.499 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614505776 1072619489 /nfs/dbraw/zinc/61/94/89/1072619489.db2.gz ALODDBAOJRAKIH-INIZCTEOSA-N 1 2 394.497 -0.499 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614505777 1072620416 /nfs/dbraw/zinc/62/04/16/1072620416.db2.gz ALODDBAOJRAKIH-MRXNPFEDSA-N 1 2 394.497 -0.499 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614505777 1072620415 /nfs/dbraw/zinc/62/04/15/1072620415.db2.gz ALODDBAOJRAKIH-MRXNPFEDSA-N 1 2 394.497 -0.499 20 0 GBADLO COc1cc(OC)cc(C(=O)NCC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c1 ZINC000614510585 1072763691 /nfs/dbraw/zinc/76/36/91/1072763691.db2.gz AVXATVQXSGMISM-HNNXBMFYSA-N 1 2 376.457 -0.060 20 0 GBADLO COc1cc(OC)cc(C(=O)NCC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000614510585 1072763685 /nfs/dbraw/zinc/76/36/85/1072763685.db2.gz AVXATVQXSGMISM-HNNXBMFYSA-N 1 2 376.457 -0.060 20 0 GBADLO COc1cc(OC)cc(C(=O)NCC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c1 ZINC000614510586 1072763735 /nfs/dbraw/zinc/76/37/35/1072763735.db2.gz AVXATVQXSGMISM-OAHLLOKOSA-N 1 2 376.457 -0.060 20 0 GBADLO COc1cc(OC)cc(C(=O)NCC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000614510586 1072763726 /nfs/dbraw/zinc/76/37/26/1072763726.db2.gz AVXATVQXSGMISM-OAHLLOKOSA-N 1 2 376.457 -0.060 20 0 GBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000614511052 1072759548 /nfs/dbraw/zinc/75/95/48/1072759548.db2.gz DYBPGWBBIPKJJA-INIZCTEOSA-N 1 2 394.497 -0.326 20 0 GBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000614511052 1072759540 /nfs/dbraw/zinc/75/95/40/1072759540.db2.gz DYBPGWBBIPKJJA-INIZCTEOSA-N 1 2 394.497 -0.326 20 0 GBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000614511053 1072760024 /nfs/dbraw/zinc/76/00/24/1072760024.db2.gz DYBPGWBBIPKJJA-MRXNPFEDSA-N 1 2 394.497 -0.326 20 0 GBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000614511053 1072760014 /nfs/dbraw/zinc/76/00/14/1072760014.db2.gz DYBPGWBBIPKJJA-MRXNPFEDSA-N 1 2 394.497 -0.326 20 0 GBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c1 ZINC000614513182 1072861922 /nfs/dbraw/zinc/86/19/22/1072861922.db2.gz SNZXNHAVUVHJLO-INIZCTEOSA-N 1 2 394.497 -0.326 20 0 GBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000614513182 1072861916 /nfs/dbraw/zinc/86/19/16/1072861916.db2.gz SNZXNHAVUVHJLO-INIZCTEOSA-N 1 2 394.497 -0.326 20 0 GBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c1 ZINC000614513184 1072861511 /nfs/dbraw/zinc/86/15/11/1072861511.db2.gz SNZXNHAVUVHJLO-MRXNPFEDSA-N 1 2 394.497 -0.326 20 0 GBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000614513184 1072861504 /nfs/dbraw/zinc/86/15/04/1072861504.db2.gz SNZXNHAVUVHJLO-MRXNPFEDSA-N 1 2 394.497 -0.326 20 0 GBADLO O=C(CNS(=O)(=O)c1c(F)cccc1F)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614513345 1072844165 /nfs/dbraw/zinc/84/41/65/1072844165.db2.gz UWBOCQBVHQCYPJ-GFCCVEGCSA-N 1 2 388.440 -0.251 20 0 GBADLO O=C(CNS(=O)(=O)c1c(F)cccc1F)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614513345 1072844146 /nfs/dbraw/zinc/84/41/46/1072844146.db2.gz UWBOCQBVHQCYPJ-GFCCVEGCSA-N 1 2 388.440 -0.251 20 0 GBADLO O=C(CNS(=O)(=O)c1c(F)cccc1F)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614513346 1072844447 /nfs/dbraw/zinc/84/44/47/1072844447.db2.gz UWBOCQBVHQCYPJ-LBPRGKRZSA-N 1 2 388.440 -0.251 20 0 GBADLO O=C(CNS(=O)(=O)c1c(F)cccc1F)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614513346 1072844442 /nfs/dbraw/zinc/84/44/42/1072844442.db2.gz UWBOCQBVHQCYPJ-LBPRGKRZSA-N 1 2 388.440 -0.251 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000614521569 1073020683 /nfs/dbraw/zinc/02/06/83/1073020683.db2.gz QBBWFYFXRFYOHO-CYBMUJFWSA-N 1 2 398.485 -0.574 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000614533204 1073089907 /nfs/dbraw/zinc/08/99/07/1073089907.db2.gz OOYQVXWHWBTSMH-UHFFFAOYSA-N 1 2 376.505 -0.136 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2[C@@H]4COC[C@@H]42)CC3)CC1 ZINC000614576561 1073178132 /nfs/dbraw/zinc/17/81/32/1073178132.db2.gz JGBFKRKUAVIZGP-KBEGMRNHSA-N 1 2 387.484 -0.158 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2[C@@H]4COC[C@@H]42)CC3)CC1 ZINC000614576564 1073178025 /nfs/dbraw/zinc/17/80/25/1073178025.db2.gz JGBFKRKUAVIZGP-KMANFZQXSA-N 1 2 387.484 -0.158 20 0 GBADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cn1 ZINC000614577456 1073177602 /nfs/dbraw/zinc/17/76/02/1073177602.db2.gz PPUMYSZARYAELC-HNNXBMFYSA-N 1 2 395.489 -0.439 20 0 GBADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cn1 ZINC000614577462 1073178117 /nfs/dbraw/zinc/17/81/17/1073178117.db2.gz PPUMYSZARYAELC-OAHLLOKOSA-N 1 2 395.489 -0.439 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H](O)C2CC2)CC3)CC1 ZINC000614577909 1073178168 /nfs/dbraw/zinc/17/81/68/1073178168.db2.gz VZAXFIKYZBQZDP-CXAGYDPISA-N 1 2 375.473 -0.280 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H](O)C2CC2)CC3)CC1 ZINC000614577923 1073178236 /nfs/dbraw/zinc/17/82/36/1073178236.db2.gz VZAXFIKYZBQZDP-DYVFJYSZSA-N 1 2 375.473 -0.280 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H](O)C2CC2)CC3)CC1 ZINC000614577924 1073178149 /nfs/dbraw/zinc/17/81/49/1073178149.db2.gz VZAXFIKYZBQZDP-GUYCJALGSA-N 1 2 375.473 -0.280 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H](O)C2CC2)CC3)CC1 ZINC000614577925 1073178260 /nfs/dbraw/zinc/17/82/60/1073178260.db2.gz VZAXFIKYZBQZDP-SUMWQHHRSA-N 1 2 375.473 -0.280 20 0 GBADLO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000614627964 1073188619 /nfs/dbraw/zinc/18/86/19/1073188619.db2.gz HTVIXBWLOIXPFD-GFCCVEGCSA-N 1 2 379.413 -0.055 20 0 GBADLO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000614627964 1073188609 /nfs/dbraw/zinc/18/86/09/1073188609.db2.gz HTVIXBWLOIXPFD-GFCCVEGCSA-N 1 2 379.413 -0.055 20 0 GBADLO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000614627966 1073188646 /nfs/dbraw/zinc/18/86/46/1073188646.db2.gz HTVIXBWLOIXPFD-LBPRGKRZSA-N 1 2 379.413 -0.055 20 0 GBADLO COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000614627966 1073188642 /nfs/dbraw/zinc/18/86/42/1073188642.db2.gz HTVIXBWLOIXPFD-LBPRGKRZSA-N 1 2 379.413 -0.055 20 0 GBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1ccccc1N ZINC000614717433 1073329425 /nfs/dbraw/zinc/32/94/25/1073329425.db2.gz RQENAISXTDIQHP-KBPBESRZSA-N 1 2 382.486 -0.131 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1ccccc1N ZINC000614717440 1073329410 /nfs/dbraw/zinc/32/94/10/1073329410.db2.gz RQENAISXTDIQHP-KGLIPLIRSA-N 1 2 382.486 -0.131 20 0 GBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1ccccc1N ZINC000614717441 1073329696 /nfs/dbraw/zinc/32/96/96/1073329696.db2.gz RQENAISXTDIQHP-UONOGXRCSA-N 1 2 382.486 -0.131 20 0 GBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1ccccc1N ZINC000614717442 1073329467 /nfs/dbraw/zinc/32/94/67/1073329467.db2.gz RQENAISXTDIQHP-ZIAGYGMSSA-N 1 2 382.486 -0.131 20 0 GBADLO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(S(N)(=O)=O)ccc3O)CC2)C1=O ZINC000614817908 1073917072 /nfs/dbraw/zinc/91/70/72/1073917072.db2.gz PFEAXYMRFRQXCQ-AWEZNQCLSA-N 1 2 396.469 -0.536 20 0 GBADLO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(S(N)(=O)=O)ccc3O)CC2)C1=O ZINC000614817910 1073917429 /nfs/dbraw/zinc/91/74/29/1073917429.db2.gz PFEAXYMRFRQXCQ-CQSZACIVSA-N 1 2 396.469 -0.536 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615095477 530485114 /nfs/dbraw/zinc/48/51/14/530485114.db2.gz MOKVTMHYSINNLX-AWEZNQCLSA-N 1 2 394.563 -0.609 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615095479 530485034 /nfs/dbraw/zinc/48/50/34/530485034.db2.gz MOKVTMHYSINNLX-CQSZACIVSA-N 1 2 394.563 -0.609 20 0 GBADLO CN(C)S(=O)(=O)NCC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615096366 530484945 /nfs/dbraw/zinc/48/49/45/530484945.db2.gz RKVKXJHKNUQZAG-CYBMUJFWSA-N 1 2 380.536 -0.951 20 0 GBADLO CN(C)S(=O)(=O)NCC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615096371 530485063 /nfs/dbraw/zinc/48/50/63/530485063.db2.gz RKVKXJHKNUQZAG-ZDUSSCGKSA-N 1 2 380.536 -0.951 20 0 GBADLO CCS(=O)(=O)N[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615097200 530484961 /nfs/dbraw/zinc/48/49/61/530484961.db2.gz ZOUGMXXNTNCXDA-KBPBESRZSA-N 1 2 379.548 -0.020 20 0 GBADLO CCS(=O)(=O)N[C@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615097210 530484995 /nfs/dbraw/zinc/48/49/95/530484995.db2.gz ZOUGMXXNTNCXDA-KGLIPLIRSA-N 1 2 379.548 -0.020 20 0 GBADLO CCS(=O)(=O)N[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615097212 530485110 /nfs/dbraw/zinc/48/51/10/530485110.db2.gz ZOUGMXXNTNCXDA-UONOGXRCSA-N 1 2 379.548 -0.020 20 0 GBADLO CCS(=O)(=O)N[C@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615097213 530485017 /nfs/dbraw/zinc/48/50/17/530485017.db2.gz ZOUGMXXNTNCXDA-ZIAGYGMSSA-N 1 2 379.548 -0.020 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(C)c1 ZINC000615163253 530487756 /nfs/dbraw/zinc/48/77/56/530487756.db2.gz NYPXAHQOBUZMAH-CYBMUJFWSA-N 1 2 378.520 -0.060 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(C)c1 ZINC000615163256 530487884 /nfs/dbraw/zinc/48/78/84/530487884.db2.gz NYPXAHQOBUZMAH-ZDUSSCGKSA-N 1 2 378.520 -0.060 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2oc(S(N)(=O)=O)cc2C)CC1 ZINC000616254990 530150994 /nfs/dbraw/zinc/15/09/94/530150994.db2.gz RRRBMEMJJDGCCA-UHFFFAOYSA-N 1 2 375.447 -0.345 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000616255167 530151303 /nfs/dbraw/zinc/15/13/03/530151303.db2.gz XLGSITHTLDRQLG-UHFFFAOYSA-N 1 2 377.488 -0.185 20 0 GBADLO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000616414424 1072384481 /nfs/dbraw/zinc/38/44/81/1072384481.db2.gz ODYZXXNWXYBMER-UHFFFAOYSA-N 1 2 386.474 -0.576 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)c2oc(S(N)(=O)=O)cc2C)CC1 ZINC000616574863 530084077 /nfs/dbraw/zinc/08/40/77/530084077.db2.gz HIBZCYQDCGZAPY-UHFFFAOYSA-N 1 2 375.447 -0.344 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000616577350 530083926 /nfs/dbraw/zinc/08/39/26/530083926.db2.gz OEWZFMRIXLFJQU-UHFFFAOYSA-N 1 2 377.488 -0.184 20 0 GBADLO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000616719819 1072431872 /nfs/dbraw/zinc/43/18/72/1072431872.db2.gz SFULBYOUBAGUOY-ZDUSSCGKSA-N 1 2 398.485 -0.288 20 0 GBADLO CCOCCS(=O)(=O)NCC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616866684 530150591 /nfs/dbraw/zinc/15/05/91/530150591.db2.gz GYSXYMZKAFPMKK-CYBMUJFWSA-N 1 2 376.479 -0.448 20 0 GBADLO CCOCCS(=O)(=O)NCC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616866685 530150391 /nfs/dbraw/zinc/15/03/91/530150391.db2.gz GYSXYMZKAFPMKK-ZDUSSCGKSA-N 1 2 376.479 -0.448 20 0 GBADLO COCCCS(=O)(=O)NCC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616867018 530150503 /nfs/dbraw/zinc/15/05/03/530150503.db2.gz MDKVBHRAGVVIEO-CYBMUJFWSA-N 1 2 376.479 -0.448 20 0 GBADLO COCCCS(=O)(=O)NCC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616867019 530150417 /nfs/dbraw/zinc/15/04/17/530150417.db2.gz MDKVBHRAGVVIEO-ZDUSSCGKSA-N 1 2 376.479 -0.448 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617263399 1073684060 /nfs/dbraw/zinc/68/40/60/1073684060.db2.gz VHBMAJQRJBJIHM-CVEARBPZSA-N 1 2 376.461 -0.693 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@H](C)CO1 ZINC000617742336 530297102 /nfs/dbraw/zinc/29/71/02/530297102.db2.gz XXZSLZRYHZORGR-NXEZZACHSA-N 1 2 389.250 -0.063 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@H](C)CO1 ZINC000617742336 530297101 /nfs/dbraw/zinc/29/71/01/530297101.db2.gz XXZSLZRYHZORGR-NXEZZACHSA-N 1 2 389.250 -0.063 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C)CO1 ZINC000617742338 530297222 /nfs/dbraw/zinc/29/72/22/530297222.db2.gz XXZSLZRYHZORGR-UWVGGRQHSA-N 1 2 389.250 -0.063 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C)CO1 ZINC000617742338 530297221 /nfs/dbraw/zinc/29/72/21/530297221.db2.gz XXZSLZRYHZORGR-UWVGGRQHSA-N 1 2 389.250 -0.063 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C)CO1 ZINC000617742339 530297084 /nfs/dbraw/zinc/29/70/84/530297084.db2.gz XXZSLZRYHZORGR-VHSXEESVSA-N 1 2 389.250 -0.063 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)[C@@H](C)CO1 ZINC000617742339 530297083 /nfs/dbraw/zinc/29/70/83/530297083.db2.gz XXZSLZRYHZORGR-VHSXEESVSA-N 1 2 389.250 -0.063 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000617742340 530297097 /nfs/dbraw/zinc/29/70/97/530297097.db2.gz XXZSLZRYHZORGR-ZJUUUORDSA-N 1 2 389.250 -0.063 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000617742340 530297096 /nfs/dbraw/zinc/29/70/96/530297096.db2.gz XXZSLZRYHZORGR-ZJUUUORDSA-N 1 2 389.250 -0.063 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000617882163 1073633110 /nfs/dbraw/zinc/63/31/10/1073633110.db2.gz HXBANTFLGFXEKZ-CABCVRRESA-N 1 2 382.486 -0.478 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000617882164 1073633292 /nfs/dbraw/zinc/63/32/92/1073633292.db2.gz HXBANTFLGFXEKZ-GJZGRUSLSA-N 1 2 382.486 -0.478 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000617882165 1073633153 /nfs/dbraw/zinc/63/31/53/1073633153.db2.gz HXBANTFLGFXEKZ-HUUCEWRRSA-N 1 2 382.486 -0.478 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000617882166 1073633065 /nfs/dbraw/zinc/63/30/65/1073633065.db2.gz HXBANTFLGFXEKZ-LSDHHAIUSA-N 1 2 382.486 -0.478 20 0 GBADLO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000618181382 1072173378 /nfs/dbraw/zinc/17/33/78/1072173378.db2.gz FUDFLZWQTYWLKV-GFCCVEGCSA-N 1 2 399.469 -0.102 20 0 GBADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000618305396 1072592457 /nfs/dbraw/zinc/59/24/57/1072592457.db2.gz SLBKJCORHJRPRE-UHFFFAOYSA-N 1 2 395.485 -0.170 20 0 GBADLO C[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)S(=O)(=O)C1CCOCC1 ZINC000618307104 530114678 /nfs/dbraw/zinc/11/46/78/530114678.db2.gz WSTIPDKNEPUJGF-CYBMUJFWSA-N 1 2 377.507 -0.553 20 0 GBADLO C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)S(=O)(=O)C1CCOCC1 ZINC000618307105 530114843 /nfs/dbraw/zinc/11/48/43/530114843.db2.gz WSTIPDKNEPUJGF-ZDUSSCGKSA-N 1 2 377.507 -0.553 20 0 GBADLO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000620106121 530115168 /nfs/dbraw/zinc/11/51/68/530115168.db2.gz YCGFRXWFCKXENH-GFCCVEGCSA-N 1 2 375.447 -0.735 20 0 GBADLO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000620106122 530114611 /nfs/dbraw/zinc/11/46/11/530114611.db2.gz YCGFRXWFCKXENH-LBPRGKRZSA-N 1 2 375.447 -0.735 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000620198799 530115117 /nfs/dbraw/zinc/11/51/17/530115117.db2.gz IWWJPUYYNLBOQP-UHFFFAOYSA-N 1 2 388.515 -0.392 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000620198799 530115113 /nfs/dbraw/zinc/11/51/13/530115113.db2.gz IWWJPUYYNLBOQP-UHFFFAOYSA-N 1 2 388.515 -0.392 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000620732068 530115685 /nfs/dbraw/zinc/11/56/85/530115685.db2.gz FMQMYRWBCDFOCH-UHFFFAOYSA-N 1 2 388.515 -0.263 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000620732068 530115681 /nfs/dbraw/zinc/11/56/81/530115681.db2.gz FMQMYRWBCDFOCH-UHFFFAOYSA-N 1 2 388.515 -0.263 20 0 GBADLO CNS(=O)(=O)CC[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000621254463 530116742 /nfs/dbraw/zinc/11/67/42/530116742.db2.gz WYMLTLDHJGWRPJ-UHFFFAOYSA-N 1 2 376.504 -0.734 20 0 GBADLO CNS(=O)(=O)CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000621257572 530117159 /nfs/dbraw/zinc/11/71/59/530117159.db2.gz CJTSLGSMTVXBQJ-UHFFFAOYSA-N 1 2 381.442 -0.176 20 0 GBADLO CNS(=O)(=O)CC[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000621262218 530116945 /nfs/dbraw/zinc/11/69/45/530116945.db2.gz RUZQQIUKRTZHBX-UHFFFAOYSA-N 1 2 394.295 -0.081 20 0 GBADLO CNS(=O)(=O)CC[N@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000621263546 530117061 /nfs/dbraw/zinc/11/70/61/530117061.db2.gz WXWQKNYPGAFEDA-UHFFFAOYSA-N 1 2 391.515 -0.059 20 0 GBADLO CNS(=O)(=O)CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000621263546 530117058 /nfs/dbraw/zinc/11/70/58/530117058.db2.gz WXWQKNYPGAFEDA-UHFFFAOYSA-N 1 2 391.515 -0.059 20 0 GBADLO NC(=O)c1c[nH]c2nc[nH+]c(NCCS(=O)(=O)NC[C@@H]3CCCCO3)c12 ZINC000621266406 1072419132 /nfs/dbraw/zinc/41/91/32/1072419132.db2.gz KIHZVSKQOVFWHD-JTQLQIEISA-N 1 2 382.446 -0.091 20 0 GBADLO NC(=O)c1c[nH]c2nc[nH+]c(NCCS(=O)(=O)NC[C@H]3CCCCO3)c12 ZINC000621266407 1072419175 /nfs/dbraw/zinc/41/91/75/1072419175.db2.gz KIHZVSKQOVFWHD-SNVBAGLBSA-N 1 2 382.446 -0.091 20 0 GBADLO CC[C@H](C)[C@@H]1C[N@@H+](CCS(=O)(=O)NC)CCN1CCS(=O)(=O)NC ZINC000621270028 530116975 /nfs/dbraw/zinc/11/69/75/530116975.db2.gz MNCOHMXZMZFFAQ-KBPBESRZSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@H](C)[C@@H]1C[N@H+](CCS(=O)(=O)NC)CCN1CCS(=O)(=O)NC ZINC000621270028 530116973 /nfs/dbraw/zinc/11/69/73/530116973.db2.gz MNCOHMXZMZFFAQ-KBPBESRZSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@@H](C)[C@@H]1C[N@@H+](CCS(=O)(=O)NC)CCN1CCS(=O)(=O)NC ZINC000621270029 530117005 /nfs/dbraw/zinc/11/70/05/530117005.db2.gz MNCOHMXZMZFFAQ-KGLIPLIRSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@@H](C)[C@@H]1C[N@H+](CCS(=O)(=O)NC)CCN1CCS(=O)(=O)NC ZINC000621270029 530117004 /nfs/dbraw/zinc/11/70/04/530117004.db2.gz MNCOHMXZMZFFAQ-KGLIPLIRSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@H](C)[C@H]1C[N@@H+](CCS(=O)(=O)NC)CCN1CCS(=O)(=O)NC ZINC000621270030 530116959 /nfs/dbraw/zinc/11/69/59/530116959.db2.gz MNCOHMXZMZFFAQ-UONOGXRCSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@H](C)[C@H]1C[N@H+](CCS(=O)(=O)NC)CCN1CCS(=O)(=O)NC ZINC000621270030 530116957 /nfs/dbraw/zinc/11/69/57/530116957.db2.gz MNCOHMXZMZFFAQ-UONOGXRCSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@@H](C)[C@H]1C[N@@H+](CCS(=O)(=O)NC)CCN1CCS(=O)(=O)NC ZINC000621270031 530116847 /nfs/dbraw/zinc/11/68/47/530116847.db2.gz MNCOHMXZMZFFAQ-ZIAGYGMSSA-N 1 2 384.568 -0.883 20 0 GBADLO CC[C@@H](C)[C@H]1C[N@H+](CCS(=O)(=O)NC)CCN1CCS(=O)(=O)NC ZINC000621270031 530116846 /nfs/dbraw/zinc/11/68/46/530116846.db2.gz MNCOHMXZMZFFAQ-ZIAGYGMSSA-N 1 2 384.568 -0.883 20 0 GBADLO CNS(=O)(=O)CCN1CC[N@@H+](CCS(=O)(=O)NC)[C@@H]2CCCC[C@H]21 ZINC000621298225 530116775 /nfs/dbraw/zinc/11/67/75/530116775.db2.gz NGTKKUCKBZPTAO-ZIAGYGMSSA-N 1 2 382.552 -0.986 20 0 GBADLO CNS(=O)(=O)CCN1CC[N@H+](CCS(=O)(=O)NC)[C@@H]2CCCC[C@H]21 ZINC000621298225 530116771 /nfs/dbraw/zinc/11/67/71/530116771.db2.gz NGTKKUCKBZPTAO-ZIAGYGMSSA-N 1 2 382.552 -0.986 20 0 GBADLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1c1c[nH]nn1 ZINC000621318950 1072440188 /nfs/dbraw/zinc/44/01/88/1072440188.db2.gz JKTABDKOYQTOSG-RIEGTJTDSA-N 1 2 394.457 -0.107 20 0 GBADLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1c1c[nH]nn1 ZINC000621318950 1072440179 /nfs/dbraw/zinc/44/01/79/1072440179.db2.gz JKTABDKOYQTOSG-RIEGTJTDSA-N 1 2 394.457 -0.107 20 0 GBADLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1c1c[nH]nn1 ZINC000621318951 1072440659 /nfs/dbraw/zinc/44/06/59/1072440659.db2.gz JKTABDKOYQTOSG-VZJVUDMVSA-N 1 2 394.457 -0.107 20 0 GBADLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1c1c[nH]nn1 ZINC000621318951 1072440654 /nfs/dbraw/zinc/44/06/54/1072440654.db2.gz JKTABDKOYQTOSG-VZJVUDMVSA-N 1 2 394.457 -0.107 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cn1 ZINC000621356823 530120174 /nfs/dbraw/zinc/12/01/74/530120174.db2.gz YLOQKMGKQJIMMK-HNNXBMFYSA-N 1 2 384.483 -0.042 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cn1 ZINC000621356824 530120006 /nfs/dbraw/zinc/12/00/06/530120006.db2.gz YLOQKMGKQJIMMK-OAHLLOKOSA-N 1 2 384.483 -0.042 20 0 GBADLO COc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)sn1 ZINC000621539940 530120685 /nfs/dbraw/zinc/12/06/85/530120685.db2.gz DIBZBQZXKMELFI-UHFFFAOYSA-N 1 2 389.503 -0.598 20 0 GBADLO O=C(CNC(=O)c1cc(Br)c[nH]c1=O)NCC[NH+]1CCOCC1 ZINC000621714270 530122089 /nfs/dbraw/zinc/12/20/89/530122089.db2.gz JOAAXLHYMAQBQI-UHFFFAOYSA-N 1 2 387.234 -0.272 20 0 GBADLO CCN(CC)S(=O)(=O)CC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000622689762 530072437 /nfs/dbraw/zinc/07/24/37/530072437.db2.gz RLIUHWMQYXKCTC-UHFFFAOYSA-N 1 2 377.507 -0.344 20 0 GBADLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000623276179 1073473222 /nfs/dbraw/zinc/47/32/22/1073473222.db2.gz WIBWEAXNVVKSAK-CYBMUJFWSA-N 1 2 389.437 -0.642 20 0 GBADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623281136 1073488208 /nfs/dbraw/zinc/48/82/08/1073488208.db2.gz NCWXIECSIUDQBY-CYBMUJFWSA-N 1 2 377.426 -0.139 20 0 GBADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623281137 1073488116 /nfs/dbraw/zinc/48/81/16/1073488116.db2.gz NCWXIECSIUDQBY-ZDUSSCGKSA-N 1 2 377.426 -0.139 20 0 GBADLO CN(C)S(=O)(=O)N1CC(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000623575794 530453024 /nfs/dbraw/zinc/45/30/24/530453024.db2.gz QBPFMNPGIOVRKW-UHFFFAOYSA-N 1 2 384.384 -0.265 20 0 GBADLO CN(CCNC(=O)NC[C@@H]1COCC[N@H+]1C)S(=O)(=O)c1cccs1 ZINC000623785537 530131203 /nfs/dbraw/zinc/13/12/03/530131203.db2.gz YBYQAERJWXEMRN-GFCCVEGCSA-N 1 2 376.504 -0.002 20 0 GBADLO CN(CCNC(=O)NC[C@@H]1COCC[N@@H+]1C)S(=O)(=O)c1cccs1 ZINC000623785537 530131198 /nfs/dbraw/zinc/13/11/98/530131198.db2.gz YBYQAERJWXEMRN-GFCCVEGCSA-N 1 2 376.504 -0.002 20 0 GBADLO CN(CCNC(=O)NC[C@H]1COCC[N@H+]1C)S(=O)(=O)c1cccs1 ZINC000623785538 530130970 /nfs/dbraw/zinc/13/09/70/530130970.db2.gz YBYQAERJWXEMRN-LBPRGKRZSA-N 1 2 376.504 -0.002 20 0 GBADLO CN(CCNC(=O)NC[C@H]1COCC[N@@H+]1C)S(=O)(=O)c1cccs1 ZINC000623785538 530130966 /nfs/dbraw/zinc/13/09/66/530130966.db2.gz YBYQAERJWXEMRN-LBPRGKRZSA-N 1 2 376.504 -0.002 20 0 GBADLO CCO[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000623980264 530132355 /nfs/dbraw/zinc/13/23/55/530132355.db2.gz ADJCJGFFVBVVCD-HNNXBMFYSA-N 1 2 376.523 -0.316 20 0 GBADLO CCO[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000623980265 530132502 /nfs/dbraw/zinc/13/25/02/530132502.db2.gz ADJCJGFFVBVVCD-OAHLLOKOSA-N 1 2 376.523 -0.316 20 0 GBADLO Cn1cc(Cl)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000623980939 530132534 /nfs/dbraw/zinc/13/25/34/530132534.db2.gz VRJKAXAGVZSRKP-UHFFFAOYSA-N 1 2 390.897 -0.677 20 0 GBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)C(F)(F)F ZINC000624040852 530132815 /nfs/dbraw/zinc/13/28/15/530132815.db2.gz FEULVDFZJZWMQP-NXEZZACHSA-N 1 2 376.401 -0.562 20 0 GBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)C(F)(F)F ZINC000624040852 530132814 /nfs/dbraw/zinc/13/28/14/530132814.db2.gz FEULVDFZJZWMQP-NXEZZACHSA-N 1 2 376.401 -0.562 20 0 GBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@H]1COCC[N@H+]1C)C(F)(F)F ZINC000624040853 530133244 /nfs/dbraw/zinc/13/32/44/530133244.db2.gz FEULVDFZJZWMQP-UWVGGRQHSA-N 1 2 376.401 -0.562 20 0 GBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)C(F)(F)F ZINC000624040853 530133241 /nfs/dbraw/zinc/13/32/41/530133241.db2.gz FEULVDFZJZWMQP-UWVGGRQHSA-N 1 2 376.401 -0.562 20 0 GBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@H]1COCC[N@H+]1C)C(F)(F)F ZINC000624040854 530194069 /nfs/dbraw/zinc/19/40/69/530194069.db2.gz FEULVDFZJZWMQP-VHSXEESVSA-N 1 2 376.401 -0.562 20 0 GBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)C(F)(F)F ZINC000624040854 530194067 /nfs/dbraw/zinc/19/40/67/530194067.db2.gz FEULVDFZJZWMQP-VHSXEESVSA-N 1 2 376.401 -0.562 20 0 GBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)C(F)(F)F ZINC000624040855 530193818 /nfs/dbraw/zinc/19/38/18/530193818.db2.gz FEULVDFZJZWMQP-ZJUUUORDSA-N 1 2 376.401 -0.562 20 0 GBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)C(F)(F)F ZINC000624040855 530193815 /nfs/dbraw/zinc/19/38/15/530193815.db2.gz FEULVDFZJZWMQP-ZJUUUORDSA-N 1 2 376.401 -0.562 20 0 GBADLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1 ZINC000624281026 530133977 /nfs/dbraw/zinc/13/39/77/530133977.db2.gz XQQJPRFFBKPSHC-LLVKDONJSA-N 1 2 376.504 -0.264 20 0 GBADLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1 ZINC000624281027 530133889 /nfs/dbraw/zinc/13/38/89/530133889.db2.gz XQQJPRFFBKPSHC-NSHDSACASA-N 1 2 376.504 -0.264 20 0 GBADLO CN1C(=O)CN(CC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1=O ZINC000624644415 1072184681 /nfs/dbraw/zinc/18/46/81/1072184681.db2.gz YSLRSSJWJMZKIP-UHFFFAOYSA-N 1 2 390.440 -0.092 20 0 GBADLO CCC(F)(F)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000624660694 530074413 /nfs/dbraw/zinc/07/44/13/530074413.db2.gz QVMFLHGBQXYDLF-UHFFFAOYSA-N 1 2 383.465 -0.149 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2COCC[N@@H+]2C)s1 ZINC000624728543 530074290 /nfs/dbraw/zinc/07/42/90/530074290.db2.gz AKVIHAZJSCBFCI-GFCCVEGCSA-N 1 2 376.504 -0.035 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2COCC[N@H+]2C)s1 ZINC000624728543 530074288 /nfs/dbraw/zinc/07/42/88/530074288.db2.gz AKVIHAZJSCBFCI-GFCCVEGCSA-N 1 2 376.504 -0.035 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2COCC[N@@H+]2C)s1 ZINC000624728548 530074421 /nfs/dbraw/zinc/07/44/21/530074421.db2.gz AKVIHAZJSCBFCI-LBPRGKRZSA-N 1 2 376.504 -0.035 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2COCC[N@H+]2C)s1 ZINC000624728548 530074418 /nfs/dbraw/zinc/07/44/18/530074418.db2.gz AKVIHAZJSCBFCI-LBPRGKRZSA-N 1 2 376.504 -0.035 20 0 GBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000624734910 530074248 /nfs/dbraw/zinc/07/42/48/530074248.db2.gz PAYHDAXJCBASTG-KBPBESRZSA-N 1 2 378.495 -0.895 20 0 GBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000624734910 530074247 /nfs/dbraw/zinc/07/42/47/530074247.db2.gz PAYHDAXJCBASTG-KBPBESRZSA-N 1 2 378.495 -0.895 20 0 GBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000624734920 530074324 /nfs/dbraw/zinc/07/43/24/530074324.db2.gz PAYHDAXJCBASTG-KGLIPLIRSA-N 1 2 378.495 -0.895 20 0 GBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000624734920 530074322 /nfs/dbraw/zinc/07/43/22/530074322.db2.gz PAYHDAXJCBASTG-KGLIPLIRSA-N 1 2 378.495 -0.895 20 0 GBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000624734923 530074366 /nfs/dbraw/zinc/07/43/66/530074366.db2.gz PAYHDAXJCBASTG-UONOGXRCSA-N 1 2 378.495 -0.895 20 0 GBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000624734923 530074365 /nfs/dbraw/zinc/07/43/65/530074365.db2.gz PAYHDAXJCBASTG-UONOGXRCSA-N 1 2 378.495 -0.895 20 0 GBADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000624734925 530074177 /nfs/dbraw/zinc/07/41/77/530074177.db2.gz PAYHDAXJCBASTG-ZIAGYGMSSA-N 1 2 378.495 -0.895 20 0 GBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000624734925 530074175 /nfs/dbraw/zinc/07/41/75/530074175.db2.gz PAYHDAXJCBASTG-ZIAGYGMSSA-N 1 2 378.495 -0.895 20 0 GBADLO CCOC1(CS(=O)(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCOCC1 ZINC000625052728 530075083 /nfs/dbraw/zinc/07/50/83/530075083.db2.gz MINZQDXQCKOHFI-HNNXBMFYSA-N 1 2 380.507 -0.473 20 0 GBADLO CCOC1(CS(=O)(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCOCC1 ZINC000625052729 530075201 /nfs/dbraw/zinc/07/52/01/530075201.db2.gz MINZQDXQCKOHFI-OAHLLOKOSA-N 1 2 380.507 -0.473 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(CC(=O)NCC(C)(C)C)CC2)CC1 ZINC000625081012 530075368 /nfs/dbraw/zinc/07/53/68/530075368.db2.gz JSIURQKPAHSSPL-UHFFFAOYSA-N 1 2 375.539 -0.742 20 0 GBADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCOC3CCOCC3)CC2)CC1 ZINC000625081757 530075407 /nfs/dbraw/zinc/07/54/07/530075407.db2.gz VKOITHMFGKOJJL-UHFFFAOYSA-N 1 2 376.523 -0.708 20 0 GBADLO CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)[C@H]1c1nccn1C ZINC000625294311 1072312116 /nfs/dbraw/zinc/31/21/16/1072312116.db2.gz ZCULHVNYXXIEED-FSDCSDTHSA-N 1 2 393.488 -0.066 20 0 GBADLO CCN1C(=O)CO[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[C@H]1c1nccn1C ZINC000625294313 1072311970 /nfs/dbraw/zinc/31/19/70/1072311970.db2.gz ZCULHVNYXXIEED-JHNDHUHGSA-N 1 2 393.488 -0.066 20 0 GBADLO CCN1C(=O)CO[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[C@H]1c1nccn1C ZINC000625294314 1072311526 /nfs/dbraw/zinc/31/15/26/1072311526.db2.gz ZCULHVNYXXIEED-OHFALNGGSA-N 1 2 393.488 -0.066 20 0 GBADLO CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)[C@H]1c1nccn1C ZINC000625294316 1072312071 /nfs/dbraw/zinc/31/20/71/1072312071.db2.gz ZCULHVNYXXIEED-OTRWWLKZSA-N 1 2 393.488 -0.066 20 0 GBADLO O=S(=O)(NCc1c[nH]c[nH+]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000625299289 530080968 /nfs/dbraw/zinc/08/09/68/530080968.db2.gz WKXPPMWFMGRFTQ-UHFFFAOYSA-N 1 2 386.455 -0.091 20 0 GBADLO O=S(=O)(NCc1c[nH+]c[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000625299289 530080966 /nfs/dbraw/zinc/08/09/66/530080966.db2.gz WKXPPMWFMGRFTQ-UHFFFAOYSA-N 1 2 386.455 -0.091 20 0 GBADLO O=C(C(=O)N1CCN(c2nccnn2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000625356431 1072321664 /nfs/dbraw/zinc/32/16/64/1072321664.db2.gz FKEOFBNBGOWCON-UHFFFAOYSA-N 1 2 382.428 -0.736 20 0 GBADLO COC1CCN(S(=O)(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000625378127 530083294 /nfs/dbraw/zinc/08/32/94/530083294.db2.gz FKBAOOVIPZGPPU-INIZCTEOSA-N 1 2 377.507 -0.453 20 0 GBADLO COC1CCN(S(=O)(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000625378127 530083292 /nfs/dbraw/zinc/08/32/92/530083292.db2.gz FKBAOOVIPZGPPU-INIZCTEOSA-N 1 2 377.507 -0.453 20 0 GBADLO COC1CCN(S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000625378128 530083255 /nfs/dbraw/zinc/08/32/55/530083255.db2.gz FKBAOOVIPZGPPU-MRXNPFEDSA-N 1 2 377.507 -0.453 20 0 GBADLO COC1CCN(S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000625378128 530083252 /nfs/dbraw/zinc/08/32/52/530083252.db2.gz FKBAOOVIPZGPPU-MRXNPFEDSA-N 1 2 377.507 -0.453 20 0 GBADLO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CCO1 ZINC000625446962 1072538578 /nfs/dbraw/zinc/53/85/78/1072538578.db2.gz YTTBFVBPLKMDNO-AWEZNQCLSA-N 1 2 378.433 -0.797 20 0 GBADLO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CCO1 ZINC000625446963 1072538318 /nfs/dbraw/zinc/53/83/18/1072538318.db2.gz YTTBFVBPLKMDNO-CQSZACIVSA-N 1 2 378.433 -0.797 20 0 GBADLO CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000625447562 1072539583 /nfs/dbraw/zinc/53/95/83/1072539583.db2.gz XZWZTTXYXWJFOL-CYBMUJFWSA-N 1 2 378.433 -0.728 20 0 GBADLO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000625447563 1072539340 /nfs/dbraw/zinc/53/93/40/1072539340.db2.gz XZWZTTXYXWJFOL-ZDUSSCGKSA-N 1 2 378.433 -0.728 20 0 GBADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)c1C ZINC000625448310 1072539803 /nfs/dbraw/zinc/53/98/03/1072539803.db2.gz JJMQUUBMIZCBRC-CYBMUJFWSA-N 1 2 378.429 -0.232 20 0 GBADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)c1C ZINC000625448314 1072539878 /nfs/dbraw/zinc/53/98/78/1072539878.db2.gz JJMQUUBMIZCBRC-ZDUSSCGKSA-N 1 2 378.429 -0.232 20 0 GBADLO CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000625461147 1072550619 /nfs/dbraw/zinc/55/06/19/1072550619.db2.gz BDQNCGWSRKTBHC-KBPBESRZSA-N 1 2 378.433 -0.797 20 0 GBADLO CN(CCCNC(=O)C[NH+]1CCC(N2CCOCC2)CC1)S(C)(=O)=O ZINC000625553298 530092371 /nfs/dbraw/zinc/09/23/71/530092371.db2.gz QCMAGXXAFADVGZ-UHFFFAOYSA-N 1 2 376.523 -0.819 20 0 GBADLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)cc1 ZINC000625565599 1072605555 /nfs/dbraw/zinc/60/55/55/1072605555.db2.gz BCALANXNVDUXOD-YQQAZPJKSA-N 1 2 393.484 -0.024 20 0 GBADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)cc1 ZINC000625565599 1072605552 /nfs/dbraw/zinc/60/55/52/1072605552.db2.gz BCALANXNVDUXOD-YQQAZPJKSA-N 1 2 393.484 -0.024 20 0 GBADLO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000625599325 1072616337 /nfs/dbraw/zinc/61/63/37/1072616337.db2.gz YOZRAJFEYKBOGW-LSDHHAIUSA-N 1 2 384.444 -0.174 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625605703 530092948 /nfs/dbraw/zinc/09/29/48/530092948.db2.gz LIJAAVUFFSUIAR-UHFFFAOYSA-N 1 2 389.499 -0.181 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000625606108 530093244 /nfs/dbraw/zinc/09/32/44/530093244.db2.gz OKABVHNURILXPR-UHFFFAOYSA-N 1 2 383.536 -0.606 20 0 GBADLO NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625607886 530092630 /nfs/dbraw/zinc/09/26/30/530092630.db2.gz XXWYUGPSHJGSJD-UHFFFAOYSA-N 1 2 389.499 -0.181 20 0 GBADLO CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000625608431 530092676 /nfs/dbraw/zinc/09/26/76/530092676.db2.gz ZZLWMQMXVDILDU-UHFFFAOYSA-N 1 2 389.499 -0.030 20 0 GBADLO CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000625625611 1072616704 /nfs/dbraw/zinc/61/67/04/1072616704.db2.gz UCAJMCDHRLRPDV-UHFFFAOYSA-N 1 2 399.498 -0.300 20 0 GBADLO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH+]1CCN(c2nccnn2)CC1 ZINC000625637902 1072618179 /nfs/dbraw/zinc/61/81/79/1072618179.db2.gz YRHKVVTUDUOEAV-HNNXBMFYSA-N 1 2 383.412 -0.129 20 0 GBADLO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH+]1CCN(c2nccnn2)CC1 ZINC000625637903 1072618219 /nfs/dbraw/zinc/61/82/19/1072618219.db2.gz YRHKVVTUDUOEAV-OAHLLOKOSA-N 1 2 383.412 -0.129 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000625641227 1072617725 /nfs/dbraw/zinc/61/77/25/1072617725.db2.gz YZHLXCJFLFDDNX-DOTOQJQBSA-N 1 2 388.468 -0.178 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000625641227 1072617721 /nfs/dbraw/zinc/61/77/21/1072617721.db2.gz YZHLXCJFLFDDNX-DOTOQJQBSA-N 1 2 388.468 -0.178 20 0 GBADLO CNC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000625644635 1072619108 /nfs/dbraw/zinc/61/91/08/1072619108.db2.gz CFVAFGCGIQUCLA-HZPDHXFCSA-N 1 2 388.468 -0.020 20 0 GBADLO CNC(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000625644635 1072619102 /nfs/dbraw/zinc/61/91/02/1072619102.db2.gz CFVAFGCGIQUCLA-HZPDHXFCSA-N 1 2 388.468 -0.020 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CNC(=O)c2ccccc21 ZINC000625699559 1072621929 /nfs/dbraw/zinc/62/19/29/1072621929.db2.gz CIWVWPVULBADIO-RHSMWYFYSA-N 1 2 386.452 -0.437 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccn(C2CCOCC2)n1 ZINC000625699587 1072621673 /nfs/dbraw/zinc/62/16/73/1072621673.db2.gz CSSWQAYEJFYNBM-OAHLLOKOSA-N 1 2 391.472 -0.103 20 0 GBADLO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625712706 637602616 /nfs/dbraw/zinc/60/26/16/637602616.db2.gz PUKUDWJZYQJULS-XDTLVQLUSA-N 1 2 391.877 -0.045 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000625961370 1072358008 /nfs/dbraw/zinc/35/80/08/1072358008.db2.gz IIRHRJYZCJWXCJ-UHFFFAOYSA-N 1 2 394.447 -0.009 20 0 GBADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000625961370 1072357994 /nfs/dbraw/zinc/35/79/94/1072357994.db2.gz IIRHRJYZCJWXCJ-UHFFFAOYSA-N 1 2 394.447 -0.009 20 0 GBADLO NC(=O)CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626033204 1072370529 /nfs/dbraw/zinc/37/05/29/1072370529.db2.gz KEFLHWAOGIUZRY-UHFFFAOYSA-N 1 2 397.501 -0.852 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC(NS(N)(=O)=O)CC2)c1 ZINC000626033691 530106183 /nfs/dbraw/zinc/10/61/83/530106183.db2.gz YTARVRUGUGSVFV-UHFFFAOYSA-N 1 2 376.504 -0.306 20 0 GBADLO CS(=O)(=O)c1cccc(OCC[NH+]2CCC(NS(N)(=O)=O)CC2)c1 ZINC000626033800 530106212 /nfs/dbraw/zinc/10/62/12/530106212.db2.gz CJZKETBBESFXEJ-UHFFFAOYSA-N 1 2 377.488 -0.274 20 0 GBADLO CS(=O)(=O)c1ccc(OCC[NH+]2CCC(NS(N)(=O)=O)CC2)cc1 ZINC000626034127 530105960 /nfs/dbraw/zinc/10/59/60/530105960.db2.gz PAUCOYNSJLSTFT-UHFFFAOYSA-N 1 2 377.488 -0.274 20 0 GBADLO NS(=O)(=O)NC1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000626034829 530105934 /nfs/dbraw/zinc/10/59/34/530105934.db2.gz QZABWONGVDFDCO-UHFFFAOYSA-N 1 2 376.429 -0.119 20 0 GBADLO C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626034854 530105954 /nfs/dbraw/zinc/10/59/54/530105954.db2.gz RXAGMONFUGGEEO-DZGCQCFKSA-N 1 2 376.523 -0.045 20 0 GBADLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626034855 530105948 /nfs/dbraw/zinc/10/59/48/530105948.db2.gz RXAGMONFUGGEEO-HIFRSBDPSA-N 1 2 376.523 -0.045 20 0 GBADLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626034856 530106043 /nfs/dbraw/zinc/10/60/43/530106043.db2.gz RXAGMONFUGGEEO-UKRRQHHQSA-N 1 2 376.523 -0.045 20 0 GBADLO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626034857 530106147 /nfs/dbraw/zinc/10/61/47/530106147.db2.gz RXAGMONFUGGEEO-ZFWWWQNUSA-N 1 2 376.523 -0.045 20 0 GBADLO NS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000626035215 530106102 /nfs/dbraw/zinc/10/61/02/530106102.db2.gz HPGCZPCCXYLZOL-UHFFFAOYSA-N 1 2 382.895 -0.255 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(NS(N)(=O)=O)CC2)s1 ZINC000626036292 530106426 /nfs/dbraw/zinc/10/64/26/530106426.db2.gz WLOZCPDJTZNZJL-UHFFFAOYSA-N 1 2 382.533 -0.244 20 0 GBADLO COCCN(C(=O)CN1CC[NH+](CCCF)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000626072679 530106366 /nfs/dbraw/zinc/10/63/66/530106366.db2.gz HQGJCUKSAVGRBO-HNNXBMFYSA-N 1 2 379.498 -0.374 20 0 GBADLO COCCN(C(=O)CN1CC[NH+](CCCF)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000626072680 530106494 /nfs/dbraw/zinc/10/64/94/530106494.db2.gz HQGJCUKSAVGRBO-OAHLLOKOSA-N 1 2 379.498 -0.374 20 0 GBADLO CCN1C(=O)CO[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[C@H]1c1nccn1C ZINC000626081751 1072382031 /nfs/dbraw/zinc/38/20/31/1072382031.db2.gz LJXXUNQPDLPRSC-PVAVHDDUSA-N 1 2 391.472 -0.358 20 0 GBADLO NC(=O)C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000626082301 1072381918 /nfs/dbraw/zinc/38/19/18/1072381918.db2.gz VTDNYOXHQWKAEQ-GOSISDBHSA-N 1 2 390.484 -0.289 20 0 GBADLO O=C(c1ccnc(N2CCOCC2)n1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000626105641 1072430429 /nfs/dbraw/zinc/43/04/29/1072430429.db2.gz MHTANKDPYHBBSI-INIZCTEOSA-N 1 2 391.472 -0.124 20 0 GBADLO O=C(c1ccnc(N2CCOCC2)n1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000626105642 1072430455 /nfs/dbraw/zinc/43/04/55/1072430455.db2.gz MHTANKDPYHBBSI-MRXNPFEDSA-N 1 2 391.472 -0.124 20 0 GBADLO Cn1cc(N2C[C@@H](C(=O)N3CC[C@@H](OCC[NH+]4CCOCC4)C3)CC2=O)cn1 ZINC000626105996 1072431269 /nfs/dbraw/zinc/43/12/69/1072431269.db2.gz XUYONJZGVKNIBO-DOTOQJQBSA-N 1 2 391.472 -0.277 20 0 GBADLO CCC(O)(CC)C[N@@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000626109186 530110902 /nfs/dbraw/zinc/11/09/02/530110902.db2.gz GNGWEOPEVDMQGK-HNNXBMFYSA-N 1 2 375.535 -0.199 20 0 GBADLO CCC(O)(CC)C[N@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000626109186 530110901 /nfs/dbraw/zinc/11/09/01/530110901.db2.gz GNGWEOPEVDMQGK-HNNXBMFYSA-N 1 2 375.535 -0.199 20 0 GBADLO CCC(O)(CC)C[N@@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000626109187 530110956 /nfs/dbraw/zinc/11/09/56/530110956.db2.gz GNGWEOPEVDMQGK-OAHLLOKOSA-N 1 2 375.535 -0.199 20 0 GBADLO CCC(O)(CC)C[N@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000626109187 530110954 /nfs/dbraw/zinc/11/09/54/530110954.db2.gz GNGWEOPEVDMQGK-OAHLLOKOSA-N 1 2 375.535 -0.199 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1)c1ccccc1 ZINC000626168256 1072990059 /nfs/dbraw/zinc/99/00/59/1072990059.db2.gz NQVWZZZEJFYCKH-RHSMWYFYSA-N 1 2 396.513 -0.149 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1)c1ccccc1 ZINC000626168256 1072990052 /nfs/dbraw/zinc/99/00/52/1072990052.db2.gz NQVWZZZEJFYCKH-RHSMWYFYSA-N 1 2 396.513 -0.149 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000626168457 1072994554 /nfs/dbraw/zinc/99/45/54/1072994554.db2.gz RZEKZUJKVIGDQW-HNNXBMFYSA-N 1 2 390.550 -0.525 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000626168457 1072994546 /nfs/dbraw/zinc/99/45/46/1072994546.db2.gz RZEKZUJKVIGDQW-HNNXBMFYSA-N 1 2 390.550 -0.525 20 0 GBADLO COC[C@]1(C)C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CCO1 ZINC000626174128 530133046 /nfs/dbraw/zinc/13/30/46/530133046.db2.gz KPGNAPRDQBHZPD-INIZCTEOSA-N 1 2 379.523 -0.100 20 0 GBADLO COC[C@]1(C)C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CCO1 ZINC000626174128 530133042 /nfs/dbraw/zinc/13/30/42/530133042.db2.gz KPGNAPRDQBHZPD-INIZCTEOSA-N 1 2 379.523 -0.100 20 0 GBADLO COC[C@@]1(C)C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CCO1 ZINC000626174129 530132757 /nfs/dbraw/zinc/13/27/57/530132757.db2.gz KPGNAPRDQBHZPD-MRXNPFEDSA-N 1 2 379.523 -0.100 20 0 GBADLO COC[C@@]1(C)C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CCO1 ZINC000626174129 530132754 /nfs/dbraw/zinc/13/27/54/530132754.db2.gz KPGNAPRDQBHZPD-MRXNPFEDSA-N 1 2 379.523 -0.100 20 0 GBADLO CN(C)C(=O)Cn1cc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cn1 ZINC000626410999 1072258645 /nfs/dbraw/zinc/25/86/45/1072258645.db2.gz HWJILRINTWCSMU-GOSISDBHSA-N 1 2 394.476 -0.291 20 0 GBADLO CN(C)C(=O)Cn1cc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cn1 ZINC000626410999 1072258632 /nfs/dbraw/zinc/25/86/32/1072258632.db2.gz HWJILRINTWCSMU-GOSISDBHSA-N 1 2 394.476 -0.291 20 0 GBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCCF)CC2)o1 ZINC000627958976 530281172 /nfs/dbraw/zinc/28/11/72/530281172.db2.gz QGODSWPAYRIDIX-UHFFFAOYSA-N 1 2 376.410 -0.839 20 0 GBADLO CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627980875 530283670 /nfs/dbraw/zinc/28/36/70/530283670.db2.gz BVSSHBGFMIXJAC-SNVBAGLBSA-N 1 2 389.861 -0.135 20 0 GBADLO CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627980875 530283669 /nfs/dbraw/zinc/28/36/69/530283669.db2.gz BVSSHBGFMIXJAC-SNVBAGLBSA-N 1 2 389.861 -0.135 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000628010886 530075669 /nfs/dbraw/zinc/07/56/69/530075669.db2.gz FKAMUAHEXCWXMY-HNNXBMFYSA-N 1 2 377.507 -0.535 20 0 GBADLO Cc1cn2cc(NC(=O)C(=O)NC3CN(S(=O)(=O)N(C)C)C3)ccc2[nH+]1 ZINC000628032320 1072233783 /nfs/dbraw/zinc/23/37/83/1072233783.db2.gz VXRLTZFXOVLXQG-UHFFFAOYSA-N 1 2 380.430 -0.812 20 0 GBADLO CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000628103989 530091244 /nfs/dbraw/zinc/09/12/44/530091244.db2.gz BVSSHBGFMIXJAC-JTQLQIEISA-N 1 2 389.861 -0.135 20 0 GBADLO CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000628103989 530091243 /nfs/dbraw/zinc/09/12/43/530091243.db2.gz BVSSHBGFMIXJAC-JTQLQIEISA-N 1 2 389.861 -0.135 20 0 GBADLO C[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)n1cnc2c1ncnc2N ZINC000628575273 1073331867 /nfs/dbraw/zinc/33/18/67/1073331867.db2.gz BRLQALAWKTZTTQ-KZULUSFZSA-N 1 2 389.460 -0.299 20 0 GBADLO C[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)n1cnc2c1ncnc2N ZINC000628575273 1073331858 /nfs/dbraw/zinc/33/18/58/1073331858.db2.gz BRLQALAWKTZTTQ-KZULUSFZSA-N 1 2 389.460 -0.299 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCCCCS(N)(=O)=O ZINC000628575343 530376175 /nfs/dbraw/zinc/37/61/75/530376175.db2.gz NNEBELLCWQUMAY-INIZCTEOSA-N 1 2 377.507 -0.433 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCCCCS(N)(=O)=O ZINC000628575343 530376172 /nfs/dbraw/zinc/37/61/72/530376172.db2.gz NNEBELLCWQUMAY-INIZCTEOSA-N 1 2 377.507 -0.433 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCCCCS(N)(=O)=O ZINC000628575349 530376227 /nfs/dbraw/zinc/37/62/27/530376227.db2.gz NNEBELLCWQUMAY-MRXNPFEDSA-N 1 2 377.507 -0.433 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCCCCS(N)(=O)=O ZINC000628575349 530376224 /nfs/dbraw/zinc/37/62/24/530376224.db2.gz NNEBELLCWQUMAY-MRXNPFEDSA-N 1 2 377.507 -0.433 20 0 GBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628575621 530376573 /nfs/dbraw/zinc/37/65/73/530376573.db2.gz LGRMFXMRRLUJSC-BBRMVZONSA-N 1 2 377.507 -0.708 20 0 GBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628575621 530376572 /nfs/dbraw/zinc/37/65/72/530376572.db2.gz LGRMFXMRRLUJSC-BBRMVZONSA-N 1 2 377.507 -0.708 20 0 GBADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628575630 530376514 /nfs/dbraw/zinc/37/65/14/530376514.db2.gz LGRMFXMRRLUJSC-CJNGLKHVSA-N 1 2 377.507 -0.708 20 0 GBADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628575630 530376512 /nfs/dbraw/zinc/37/65/12/530376512.db2.gz LGRMFXMRRLUJSC-CJNGLKHVSA-N 1 2 377.507 -0.708 20 0 GBADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628575632 530376459 /nfs/dbraw/zinc/37/64/59/530376459.db2.gz LGRMFXMRRLUJSC-CZUORRHYSA-N 1 2 377.507 -0.708 20 0 GBADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628575632 530376458 /nfs/dbraw/zinc/37/64/58/530376458.db2.gz LGRMFXMRRLUJSC-CZUORRHYSA-N 1 2 377.507 -0.708 20 0 GBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628575635 530376503 /nfs/dbraw/zinc/37/65/03/530376503.db2.gz LGRMFXMRRLUJSC-XJKSGUPXSA-N 1 2 377.507 -0.708 20 0 GBADLO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628575635 530376502 /nfs/dbraw/zinc/37/65/02/530376502.db2.gz LGRMFXMRRLUJSC-XJKSGUPXSA-N 1 2 377.507 -0.708 20 0 GBADLO CCCCS(=O)(=O)NCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628576626 530376654 /nfs/dbraw/zinc/37/66/54/530376654.db2.gz DNEQAOFXSDWFBC-INIZCTEOSA-N 1 2 377.507 -0.562 20 0 GBADLO CCCCS(=O)(=O)NCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628576626 530376651 /nfs/dbraw/zinc/37/66/51/530376651.db2.gz DNEQAOFXSDWFBC-INIZCTEOSA-N 1 2 377.507 -0.562 20 0 GBADLO CCCCS(=O)(=O)NCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628576631 530376734 /nfs/dbraw/zinc/37/67/34/530376734.db2.gz DNEQAOFXSDWFBC-MRXNPFEDSA-N 1 2 377.507 -0.562 20 0 GBADLO CCCCS(=O)(=O)NCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628576631 530376732 /nfs/dbraw/zinc/37/67/32/530376732.db2.gz DNEQAOFXSDWFBC-MRXNPFEDSA-N 1 2 377.507 -0.562 20 0 GBADLO CCN(CC)S(=O)(=O)CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628577310 530376712 /nfs/dbraw/zinc/37/67/12/530376712.db2.gz ODHLBZQTKZKRSN-INIZCTEOSA-N 1 2 377.507 -0.610 20 0 GBADLO CCN(CC)S(=O)(=O)CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628577310 530376711 /nfs/dbraw/zinc/37/67/11/530376711.db2.gz ODHLBZQTKZKRSN-INIZCTEOSA-N 1 2 377.507 -0.610 20 0 GBADLO CCN(CC)S(=O)(=O)CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628577311 530376629 /nfs/dbraw/zinc/37/66/29/530376629.db2.gz ODHLBZQTKZKRSN-MRXNPFEDSA-N 1 2 377.507 -0.610 20 0 GBADLO CCN(CC)S(=O)(=O)CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628577311 530376627 /nfs/dbraw/zinc/37/66/27/530376627.db2.gz ODHLBZQTKZKRSN-MRXNPFEDSA-N 1 2 377.507 -0.610 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CS(=O)(=O)NC(C)(C)C ZINC000628577924 530376596 /nfs/dbraw/zinc/37/65/96/530376596.db2.gz HFBRKVDYSAUFOL-INIZCTEOSA-N 1 2 377.507 -0.564 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CS(=O)(=O)NC(C)(C)C ZINC000628577924 530376594 /nfs/dbraw/zinc/37/65/94/530376594.db2.gz HFBRKVDYSAUFOL-INIZCTEOSA-N 1 2 377.507 -0.564 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CS(=O)(=O)NC(C)(C)C ZINC000628577925 530376377 /nfs/dbraw/zinc/37/63/77/530376377.db2.gz HFBRKVDYSAUFOL-MRXNPFEDSA-N 1 2 377.507 -0.564 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CS(=O)(=O)NC(C)(C)C ZINC000628577925 530376376 /nfs/dbraw/zinc/37/63/76/530376376.db2.gz HFBRKVDYSAUFOL-MRXNPFEDSA-N 1 2 377.507 -0.564 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000628578347 530376686 /nfs/dbraw/zinc/37/66/86/530376686.db2.gz ONIDKAVSTJFKKN-BBRMVZONSA-N 1 2 375.491 -0.858 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000628578347 530376684 /nfs/dbraw/zinc/37/66/84/530376684.db2.gz ONIDKAVSTJFKKN-BBRMVZONSA-N 1 2 375.491 -0.858 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000628578348 530376716 /nfs/dbraw/zinc/37/67/16/530376716.db2.gz ONIDKAVSTJFKKN-CJNGLKHVSA-N 1 2 375.491 -0.858 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000628578348 530376715 /nfs/dbraw/zinc/37/67/15/530376715.db2.gz ONIDKAVSTJFKKN-CJNGLKHVSA-N 1 2 375.491 -0.858 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000628578349 530376526 /nfs/dbraw/zinc/37/65/26/530376526.db2.gz ONIDKAVSTJFKKN-CZUORRHYSA-N 1 2 375.491 -0.858 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000628578349 530376524 /nfs/dbraw/zinc/37/65/24/530376524.db2.gz ONIDKAVSTJFKKN-CZUORRHYSA-N 1 2 375.491 -0.858 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000628578350 530376415 /nfs/dbraw/zinc/37/64/15/530376415.db2.gz ONIDKAVSTJFKKN-XJKSGUPXSA-N 1 2 375.491 -0.858 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000628578350 530376412 /nfs/dbraw/zinc/37/64/12/530376412.db2.gz ONIDKAVSTJFKKN-XJKSGUPXSA-N 1 2 375.491 -0.858 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCN1CCCS1(=O)=O ZINC000628579050 530376406 /nfs/dbraw/zinc/37/64/06/530376406.db2.gz UUSYKRTZIMSRPE-INIZCTEOSA-N 1 2 375.491 -0.856 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCN1CCCS1(=O)=O ZINC000628579050 530376404 /nfs/dbraw/zinc/37/64/04/530376404.db2.gz UUSYKRTZIMSRPE-INIZCTEOSA-N 1 2 375.491 -0.856 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCN1CCCS1(=O)=O ZINC000628579051 530376568 /nfs/dbraw/zinc/37/65/68/530376568.db2.gz UUSYKRTZIMSRPE-MRXNPFEDSA-N 1 2 375.491 -0.856 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCN1CCCS1(=O)=O ZINC000628579051 530376565 /nfs/dbraw/zinc/37/65/65/530376565.db2.gz UUSYKRTZIMSRPE-MRXNPFEDSA-N 1 2 375.491 -0.856 20 0 GBADLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628798401 530378624 /nfs/dbraw/zinc/37/86/24/530378624.db2.gz MVYBBTXOYIMELF-UHFFFAOYSA-N 1 2 389.499 -0.605 20 0 GBADLO CS(=O)(=O)NC1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000628799247 1073627074 /nfs/dbraw/zinc/62/70/74/1073627074.db2.gz NEKOXLZYXFGNKS-UHFFFAOYSA-N 1 2 395.485 -0.730 20 0 GBADLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000628920054 530381237 /nfs/dbraw/zinc/38/12/37/530381237.db2.gz MLPBKGDKMGCDIR-GFCCVEGCSA-N 1 2 388.515 -0.187 20 0 GBADLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000628920054 530381235 /nfs/dbraw/zinc/38/12/35/530381235.db2.gz MLPBKGDKMGCDIR-GFCCVEGCSA-N 1 2 388.515 -0.187 20 0 GBADLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000628920058 530381254 /nfs/dbraw/zinc/38/12/54/530381254.db2.gz MLPBKGDKMGCDIR-LBPRGKRZSA-N 1 2 388.515 -0.187 20 0 GBADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000628920058 530381251 /nfs/dbraw/zinc/38/12/51/530381251.db2.gz MLPBKGDKMGCDIR-LBPRGKRZSA-N 1 2 388.515 -0.187 20 0 GBADLO COc1c(F)cc(CC(=O)NC[C@@H]2COCC[N@H+]2C)cc1S(N)(=O)=O ZINC000628924303 530381387 /nfs/dbraw/zinc/38/13/87/530381387.db2.gz ZRQWHUCFPDPXGE-LLVKDONJSA-N 1 2 375.422 -0.529 20 0 GBADLO COc1c(F)cc(CC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1S(N)(=O)=O ZINC000628924303 530381385 /nfs/dbraw/zinc/38/13/85/530381385.db2.gz ZRQWHUCFPDPXGE-LLVKDONJSA-N 1 2 375.422 -0.529 20 0 GBADLO COc1c(F)cc(CC(=O)NC[C@H]2COCC[N@H+]2C)cc1S(N)(=O)=O ZINC000628924304 530381326 /nfs/dbraw/zinc/38/13/26/530381326.db2.gz ZRQWHUCFPDPXGE-NSHDSACASA-N 1 2 375.422 -0.529 20 0 GBADLO COc1c(F)cc(CC(=O)NC[C@H]2COCC[N@@H+]2C)cc1S(N)(=O)=O ZINC000628924304 530381323 /nfs/dbraw/zinc/38/13/23/530381323.db2.gz ZRQWHUCFPDPXGE-NSHDSACASA-N 1 2 375.422 -0.529 20 0 GBADLO CNS(=O)(=O)CCCNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000629340863 530385688 /nfs/dbraw/zinc/38/56/88/530385688.db2.gz QJLOAYKSQPMVTN-UHFFFAOYSA-N 1 2 391.515 -0.309 20 0 GBADLO Cn1nncc1S(=O)(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000629350051 530386155 /nfs/dbraw/zinc/38/61/55/530386155.db2.gz DLMUOUAJJFWFFI-UHFFFAOYSA-N 1 2 388.475 -0.544 20 0 GBADLO Cc1ccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)c(F)c1F ZINC000629350742 530386219 /nfs/dbraw/zinc/38/62/19/530386219.db2.gz BCTYLTJYPLDNPH-UHFFFAOYSA-N 1 2 377.413 0.000 20 0 GBADLO CC[C@@H](C(=O)N1CCOC[C@H]1CNS(C)(=O)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000629571265 530399959 /nfs/dbraw/zinc/39/99/59/530399959.db2.gz KBYYPKGJISVFNT-KFWWJZLASA-N 1 2 377.507 -0.348 20 0 GBADLO CC[C@@H](C(=O)N1CCOC[C@H]1CNS(C)(=O)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000629571265 530399957 /nfs/dbraw/zinc/39/99/57/530399957.db2.gz KBYYPKGJISVFNT-KFWWJZLASA-N 1 2 377.507 -0.348 20 0 GBADLO CC[C@H](C(=O)N1CCOC[C@H]1CNS(C)(=O)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000629571266 530399829 /nfs/dbraw/zinc/39/98/29/530399829.db2.gz KBYYPKGJISVFNT-RBSFLKMASA-N 1 2 377.507 -0.348 20 0 GBADLO CC[C@H](C(=O)N1CCOC[C@H]1CNS(C)(=O)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000629571266 530399827 /nfs/dbraw/zinc/39/98/27/530399827.db2.gz KBYYPKGJISVFNT-RBSFLKMASA-N 1 2 377.507 -0.348 20 0 GBADLO CC[C@H](C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000629571267 530399913 /nfs/dbraw/zinc/39/99/13/530399913.db2.gz KBYYPKGJISVFNT-RRFJBIMHSA-N 1 2 377.507 -0.348 20 0 GBADLO CC[C@H](C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000629571267 530399912 /nfs/dbraw/zinc/39/99/12/530399912.db2.gz KBYYPKGJISVFNT-RRFJBIMHSA-N 1 2 377.507 -0.348 20 0 GBADLO CC[C@@H](C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000629571268 530399936 /nfs/dbraw/zinc/39/99/36/530399936.db2.gz KBYYPKGJISVFNT-ZNMIVQPWSA-N 1 2 377.507 -0.348 20 0 GBADLO CC[C@@H](C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000629571268 530399934 /nfs/dbraw/zinc/39/99/34/530399934.db2.gz KBYYPKGJISVFNT-ZNMIVQPWSA-N 1 2 377.507 -0.348 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)Nc1cc[nH+]cc1 ZINC000629629282 530402149 /nfs/dbraw/zinc/40/21/49/530402149.db2.gz VQDNXTMNCWSQLZ-NWANDNLSSA-N 1 2 389.499 -0.190 20 0 GBADLO CN(C[C@H]1C[C@@H](O)C1)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000629630291 530402780 /nfs/dbraw/zinc/40/27/80/530402780.db2.gz RROILYBWZMRDFZ-XBXGTLAGSA-N 1 2 377.488 -0.332 20 0 GBADLO CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000629631211 530402691 /nfs/dbraw/zinc/40/26/91/530402691.db2.gz TUZRPXFTMRZVCR-BJHJDKERSA-N 1 2 390.487 -0.839 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC2(C1)CCCO2)Nc1cc[nH+]cc1 ZINC000629639148 530403402 /nfs/dbraw/zinc/40/34/02/530403402.db2.gz KAMBXBMXZMGDSB-UHFFFAOYSA-N 1 2 375.472 -0.170 20 0 GBADLO CN(CC1(C)COC1)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000629641640 530403280 /nfs/dbraw/zinc/40/32/80/530403280.db2.gz NHWCWXWJKLINPB-UHFFFAOYSA-N 1 2 377.488 -0.067 20 0 GBADLO C[C@](O)(C[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC1 ZINC000630033784 530407946 /nfs/dbraw/zinc/40/79/46/530407946.db2.gz IUUQXEGSMHGQJQ-CVEARBPZSA-N 1 2 377.507 -0.907 20 0 GBADLO C[C@](O)(C[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC1 ZINC000630033785 530407894 /nfs/dbraw/zinc/40/78/94/530407894.db2.gz IUUQXEGSMHGQJQ-HOTGVXAUSA-N 1 2 377.507 -0.907 20 0 GBADLO C[C@@](O)(C[C@@H](O)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC1 ZINC000630033786 530408074 /nfs/dbraw/zinc/40/80/74/530408074.db2.gz IUUQXEGSMHGQJQ-HZPDHXFCSA-N 1 2 377.507 -0.907 20 0 GBADLO C[C@@](O)(C[C@H](O)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC1 ZINC000630033787 530407977 /nfs/dbraw/zinc/40/79/77/530407977.db2.gz IUUQXEGSMHGQJQ-JKSUJKDBSA-N 1 2 377.507 -0.907 20 0 GBADLO O=S(=O)(CC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)N1CCSCC1 ZINC000631066867 530133037 /nfs/dbraw/zinc/13/30/37/530133037.db2.gz CUTHCJDLOAKYNC-CYBMUJFWSA-N 1 2 375.520 -0.217 20 0 GBADLO O=S(=O)(CC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)N1CCSCC1 ZINC000631066868 530133191 /nfs/dbraw/zinc/13/31/91/530133191.db2.gz CUTHCJDLOAKYNC-ZDUSSCGKSA-N 1 2 375.520 -0.217 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000631645157 530138756 /nfs/dbraw/zinc/13/87/56/530138756.db2.gz XQNNDSRGVDDQGZ-AWEZNQCLSA-N 1 2 388.515 -0.185 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000631645158 530138728 /nfs/dbraw/zinc/13/87/28/530138728.db2.gz XQNNDSRGVDDQGZ-CQSZACIVSA-N 1 2 388.515 -0.185 20 0 GBADLO CC(C)(CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000631656082 530139126 /nfs/dbraw/zinc/13/91/26/530139126.db2.gz MWQUXAFVOLHQFQ-CYBMUJFWSA-N 1 2 383.536 -0.702 20 0 GBADLO CC(C)(CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000631656083 530139210 /nfs/dbraw/zinc/13/92/10/530139210.db2.gz MWQUXAFVOLHQFQ-ZDUSSCGKSA-N 1 2 383.536 -0.702 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000631660547 530138992 /nfs/dbraw/zinc/13/89/92/530138992.db2.gz KCJTYOAPROVMIJ-HNNXBMFYSA-N 1 2 375.491 -0.782 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000631660547 530138989 /nfs/dbraw/zinc/13/89/89/530138989.db2.gz KCJTYOAPROVMIJ-HNNXBMFYSA-N 1 2 375.491 -0.782 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000631660554 530138847 /nfs/dbraw/zinc/13/88/47/530138847.db2.gz KCJTYOAPROVMIJ-OAHLLOKOSA-N 1 2 375.491 -0.782 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1 ZINC000631660554 530138844 /nfs/dbraw/zinc/13/88/44/530138844.db2.gz KCJTYOAPROVMIJ-OAHLLOKOSA-N 1 2 375.491 -0.782 20 0 GBADLO CCN(CC)C(=O)CN1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631687797 530139155 /nfs/dbraw/zinc/13/91/55/530139155.db2.gz HJBAEMLTHKQCKZ-HNNXBMFYSA-N 1 2 376.523 -0.867 20 0 GBADLO CCN(CC)C(=O)CN1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631687797 530139152 /nfs/dbraw/zinc/13/91/52/530139152.db2.gz HJBAEMLTHKQCKZ-HNNXBMFYSA-N 1 2 376.523 -0.867 20 0 GBADLO CCN(CC)C(=O)CN1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631687799 530139178 /nfs/dbraw/zinc/13/91/78/530139178.db2.gz HJBAEMLTHKQCKZ-OAHLLOKOSA-N 1 2 376.523 -0.867 20 0 GBADLO CCN(CC)C(=O)CN1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631687799 530139176 /nfs/dbraw/zinc/13/91/76/530139176.db2.gz HJBAEMLTHKQCKZ-OAHLLOKOSA-N 1 2 376.523 -0.867 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631699359 530136772 /nfs/dbraw/zinc/13/67/72/530136772.db2.gz FFTSUEPIKVHKAC-AWEZNQCLSA-N 1 2 391.515 -0.313 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631699359 530136770 /nfs/dbraw/zinc/13/67/70/530136770.db2.gz FFTSUEPIKVHKAC-AWEZNQCLSA-N 1 2 391.515 -0.313 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631699382 530136720 /nfs/dbraw/zinc/13/67/20/530136720.db2.gz FFTSUEPIKVHKAC-CQSZACIVSA-N 1 2 391.515 -0.313 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631699382 530136717 /nfs/dbraw/zinc/13/67/17/530136717.db2.gz FFTSUEPIKVHKAC-CQSZACIVSA-N 1 2 391.515 -0.313 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000631700851 530138902 /nfs/dbraw/zinc/13/89/02/530138902.db2.gz FRDLCTBOQDBANN-CABCVRRESA-N 1 2 375.491 -0.782 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000631700851 530138898 /nfs/dbraw/zinc/13/88/98/530138898.db2.gz FRDLCTBOQDBANN-CABCVRRESA-N 1 2 375.491 -0.782 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000631700852 530138815 /nfs/dbraw/zinc/13/88/15/530138815.db2.gz FRDLCTBOQDBANN-GJZGRUSLSA-N 1 2 375.491 -0.782 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000631700852 530138813 /nfs/dbraw/zinc/13/88/13/530138813.db2.gz FRDLCTBOQDBANN-GJZGRUSLSA-N 1 2 375.491 -0.782 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000631700853 530138973 /nfs/dbraw/zinc/13/89/73/530138973.db2.gz FRDLCTBOQDBANN-HUUCEWRRSA-N 1 2 375.491 -0.782 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000631700853 530138969 /nfs/dbraw/zinc/13/89/69/530138969.db2.gz FRDLCTBOQDBANN-HUUCEWRRSA-N 1 2 375.491 -0.782 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000631700854 530138704 /nfs/dbraw/zinc/13/87/04/530138704.db2.gz FRDLCTBOQDBANN-LSDHHAIUSA-N 1 2 375.491 -0.782 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000631700854 530138702 /nfs/dbraw/zinc/13/87/02/530138702.db2.gz FRDLCTBOQDBANN-LSDHHAIUSA-N 1 2 375.491 -0.782 20 0 GBADLO CC(C)[C@H](CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000631702902 530461184 /nfs/dbraw/zinc/46/11/84/530461184.db2.gz QTVQVYKVGFKEIL-CABCVRRESA-N 1 2 397.563 -0.456 20 0 GBADLO CC(C)[C@H](CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000631702907 530460923 /nfs/dbraw/zinc/46/09/23/530460923.db2.gz QTVQVYKVGFKEIL-GJZGRUSLSA-N 1 2 397.563 -0.456 20 0 GBADLO CC(C)[C@@H](CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000631702915 530461099 /nfs/dbraw/zinc/46/10/99/530461099.db2.gz QTVQVYKVGFKEIL-HUUCEWRRSA-N 1 2 397.563 -0.456 20 0 GBADLO CC(C)[C@@H](CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000631702923 530461131 /nfs/dbraw/zinc/46/11/31/530461131.db2.gz QTVQVYKVGFKEIL-LSDHHAIUSA-N 1 2 397.563 -0.456 20 0 GBADLO CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631716703 530139663 /nfs/dbraw/zinc/13/96/63/530139663.db2.gz MPIBIGAGABLCPU-CABCVRRESA-N 1 2 376.523 -0.821 20 0 GBADLO CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631716703 530139661 /nfs/dbraw/zinc/13/96/61/530139661.db2.gz MPIBIGAGABLCPU-CABCVRRESA-N 1 2 376.523 -0.821 20 0 GBADLO CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631716706 530139655 /nfs/dbraw/zinc/13/96/55/530139655.db2.gz MPIBIGAGABLCPU-GJZGRUSLSA-N 1 2 376.523 -0.821 20 0 GBADLO CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631716706 530139651 /nfs/dbraw/zinc/13/96/51/530139651.db2.gz MPIBIGAGABLCPU-GJZGRUSLSA-N 1 2 376.523 -0.821 20 0 GBADLO CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631716708 530139888 /nfs/dbraw/zinc/13/98/88/530139888.db2.gz MPIBIGAGABLCPU-HUUCEWRRSA-N 1 2 376.523 -0.821 20 0 GBADLO CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631716708 530139886 /nfs/dbraw/zinc/13/98/86/530139886.db2.gz MPIBIGAGABLCPU-HUUCEWRRSA-N 1 2 376.523 -0.821 20 0 GBADLO CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631716710 530139644 /nfs/dbraw/zinc/13/96/44/530139644.db2.gz MPIBIGAGABLCPU-LSDHHAIUSA-N 1 2 376.523 -0.821 20 0 GBADLO CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631716710 530139642 /nfs/dbraw/zinc/13/96/42/530139642.db2.gz MPIBIGAGABLCPU-LSDHHAIUSA-N 1 2 376.523 -0.821 20 0 GBADLO CN(C)c1ccc(CNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)c[nH+]1 ZINC000631726926 530139367 /nfs/dbraw/zinc/13/93/67/530139367.db2.gz TYYLICUGSVCFCL-CYBMUJFWSA-N 1 2 376.504 -0.152 20 0 GBADLO CN(C)c1ccc(CNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)c[nH+]1 ZINC000631726927 530139829 /nfs/dbraw/zinc/13/98/29/530139829.db2.gz TYYLICUGSVCFCL-ZDUSSCGKSA-N 1 2 376.504 -0.152 20 0 GBADLO CC(C)C1(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000631728784 530139386 /nfs/dbraw/zinc/13/93/86/530139386.db2.gz XWNPQFLQXPZSKK-UHFFFAOYSA-N 1 2 394.563 -0.385 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1 ZINC000631732820 530139855 /nfs/dbraw/zinc/13/98/55/530139855.db2.gz QHVAGZCEBKSJMH-UHFFFAOYSA-N 1 2 383.396 -0.072 20 0 GBADLO CCCS(=O)(=O)NC1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631734949 530139441 /nfs/dbraw/zinc/13/94/41/530139441.db2.gz LUCMWFZUYNQGRZ-AWEZNQCLSA-N 1 2 383.536 -0.559 20 0 GBADLO CCCS(=O)(=O)NC1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631734949 530139439 /nfs/dbraw/zinc/13/94/39/530139439.db2.gz LUCMWFZUYNQGRZ-AWEZNQCLSA-N 1 2 383.536 -0.559 20 0 GBADLO CCCS(=O)(=O)NC1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631734950 530139318 /nfs/dbraw/zinc/13/93/18/530139318.db2.gz LUCMWFZUYNQGRZ-CQSZACIVSA-N 1 2 383.536 -0.559 20 0 GBADLO CCCS(=O)(=O)NC1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631734950 530139314 /nfs/dbraw/zinc/13/93/14/530139314.db2.gz LUCMWFZUYNQGRZ-CQSZACIVSA-N 1 2 383.536 -0.559 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@@H]2CN(C)CCO2)CC1 ZINC000631737384 530139759 /nfs/dbraw/zinc/13/97/59/530139759.db2.gz NQRTWYRAVZZDES-HNNXBMFYSA-N 1 2 376.523 -0.773 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@H]2CN(C)CCO2)CC1 ZINC000631737385 530139416 /nfs/dbraw/zinc/13/94/16/530139416.db2.gz NQRTWYRAVZZDES-OAHLLOKOSA-N 1 2 376.523 -0.773 20 0 GBADLO CN(C)c1[nH+]cccc1CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000631743496 530139883 /nfs/dbraw/zinc/13/98/83/530139883.db2.gz VVEXEIYLXHQZAB-GFCCVEGCSA-N 1 2 376.504 -0.152 20 0 GBADLO CN(C)c1[nH+]cccc1CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000631743497 530139903 /nfs/dbraw/zinc/13/99/03/530139903.db2.gz VVEXEIYLXHQZAB-LBPRGKRZSA-N 1 2 376.504 -0.152 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000631760684 530139801 /nfs/dbraw/zinc/13/98/01/530139801.db2.gz GVRCYZKGNPPIQQ-AWEZNQCLSA-N 1 2 391.515 -0.313 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000631760684 530139800 /nfs/dbraw/zinc/13/98/00/530139800.db2.gz GVRCYZKGNPPIQQ-AWEZNQCLSA-N 1 2 391.515 -0.313 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000631760685 530139896 /nfs/dbraw/zinc/13/98/96/530139896.db2.gz GVRCYZKGNPPIQQ-CQSZACIVSA-N 1 2 391.515 -0.313 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000631760685 530139894 /nfs/dbraw/zinc/13/98/94/530139894.db2.gz GVRCYZKGNPPIQQ-CQSZACIVSA-N 1 2 391.515 -0.313 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000631777264 530139568 /nfs/dbraw/zinc/13/95/68/530139568.db2.gz CMEKGRHLBSBXHS-HNNXBMFYSA-N 1 2 376.500 -0.019 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000631777264 530139563 /nfs/dbraw/zinc/13/95/63/530139563.db2.gz CMEKGRHLBSBXHS-HNNXBMFYSA-N 1 2 376.500 -0.019 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000631777265 530139811 /nfs/dbraw/zinc/13/98/11/530139811.db2.gz CMEKGRHLBSBXHS-OAHLLOKOSA-N 1 2 376.500 -0.019 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000631777265 530139810 /nfs/dbraw/zinc/13/98/10/530139810.db2.gz CMEKGRHLBSBXHS-OAHLLOKOSA-N 1 2 376.500 -0.019 20 0 GBADLO COCCCNC(=O)C1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631780896 530139779 /nfs/dbraw/zinc/13/97/79/530139779.db2.gz BTMXAWPUJCHMFB-HNNXBMFYSA-N 1 2 377.507 -0.489 20 0 GBADLO COCCCNC(=O)C1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631780896 530139778 /nfs/dbraw/zinc/13/97/78/530139778.db2.gz BTMXAWPUJCHMFB-HNNXBMFYSA-N 1 2 377.507 -0.489 20 0 GBADLO COCCCNC(=O)C1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631780897 530139825 /nfs/dbraw/zinc/13/98/25/530139825.db2.gz BTMXAWPUJCHMFB-OAHLLOKOSA-N 1 2 377.507 -0.489 20 0 GBADLO COCCCNC(=O)C1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631780897 530139823 /nfs/dbraw/zinc/13/98/23/530139823.db2.gz BTMXAWPUJCHMFB-OAHLLOKOSA-N 1 2 377.507 -0.489 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000631785740 530139380 /nfs/dbraw/zinc/13/93/80/530139380.db2.gz LZSZJFYMCORMTD-CABCVRRESA-N 1 2 379.548 -0.556 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000631785740 530139378 /nfs/dbraw/zinc/13/93/78/530139378.db2.gz LZSZJFYMCORMTD-CABCVRRESA-N 1 2 379.548 -0.556 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000631785741 530139868 /nfs/dbraw/zinc/13/98/68/530139868.db2.gz LZSZJFYMCORMTD-GJZGRUSLSA-N 1 2 379.548 -0.556 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000631785741 530139867 /nfs/dbraw/zinc/13/98/67/530139867.db2.gz LZSZJFYMCORMTD-GJZGRUSLSA-N 1 2 379.548 -0.556 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000631785742 530139590 /nfs/dbraw/zinc/13/95/90/530139590.db2.gz LZSZJFYMCORMTD-HUUCEWRRSA-N 1 2 379.548 -0.556 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000631785742 530139587 /nfs/dbraw/zinc/13/95/87/530139587.db2.gz LZSZJFYMCORMTD-HUUCEWRRSA-N 1 2 379.548 -0.556 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000631785743 530139527 /nfs/dbraw/zinc/13/95/27/530139527.db2.gz LZSZJFYMCORMTD-LSDHHAIUSA-N 1 2 379.548 -0.556 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000631785743 530139523 /nfs/dbraw/zinc/13/95/23/530139523.db2.gz LZSZJFYMCORMTD-LSDHHAIUSA-N 1 2 379.548 -0.556 20 0 GBADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000631785755 530139861 /nfs/dbraw/zinc/13/98/61/530139861.db2.gz MNZIRFDEJBORMV-KFWWJZLASA-N 1 2 377.507 -0.490 20 0 GBADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000631785755 530139860 /nfs/dbraw/zinc/13/98/60/530139860.db2.gz MNZIRFDEJBORMV-KFWWJZLASA-N 1 2 377.507 -0.490 20 0 GBADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000631785757 530139516 /nfs/dbraw/zinc/13/95/16/530139516.db2.gz MNZIRFDEJBORMV-RBSFLKMASA-N 1 2 377.507 -0.490 20 0 GBADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000631785757 530139514 /nfs/dbraw/zinc/13/95/14/530139514.db2.gz MNZIRFDEJBORMV-RBSFLKMASA-N 1 2 377.507 -0.490 20 0 GBADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000631785759 530139507 /nfs/dbraw/zinc/13/95/07/530139507.db2.gz MNZIRFDEJBORMV-RRFJBIMHSA-N 1 2 377.507 -0.490 20 0 GBADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000631785759 530139505 /nfs/dbraw/zinc/13/95/05/530139505.db2.gz MNZIRFDEJBORMV-RRFJBIMHSA-N 1 2 377.507 -0.490 20 0 GBADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000631785760 530139873 /nfs/dbraw/zinc/13/98/73/530139873.db2.gz MNZIRFDEJBORMV-ZNMIVQPWSA-N 1 2 377.507 -0.490 20 0 GBADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000631785760 530139872 /nfs/dbraw/zinc/13/98/72/530139872.db2.gz MNZIRFDEJBORMV-ZNMIVQPWSA-N 1 2 377.507 -0.490 20 0 GBADLO O=C1C[C@@H](S(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CN1C1CC1 ZINC000631785801 530139483 /nfs/dbraw/zinc/13/94/83/530139483.db2.gz NLFUFPRKVNOWDN-GDBMZVCRSA-N 1 2 389.543 -0.123 20 0 GBADLO O=C1C[C@H](S(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CN1C1CC1 ZINC000631785803 530139466 /nfs/dbraw/zinc/13/94/66/530139466.db2.gz NLFUFPRKVNOWDN-GOEBONIOSA-N 1 2 389.543 -0.123 20 0 GBADLO O=C1C[C@H](S(=O)(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CN1C1CC1 ZINC000631785804 530139618 /nfs/dbraw/zinc/13/96/18/530139618.db2.gz NLFUFPRKVNOWDN-HOCLYGCPSA-N 1 2 389.543 -0.123 20 0 GBADLO O=C1C[C@@H](S(=O)(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CN1C1CC1 ZINC000631785805 530139471 /nfs/dbraw/zinc/13/94/71/530139471.db2.gz NLFUFPRKVNOWDN-ZBFHGGJFSA-N 1 2 389.543 -0.123 20 0 GBADLO CCN1C[C@@H](S(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1=O ZINC000631786320 530139350 /nfs/dbraw/zinc/13/93/50/530139350.db2.gz VIRUYEXEBYZQIL-DZGCQCFKSA-N 1 2 377.532 -0.266 20 0 GBADLO CCN1C[C@H](S(=O)(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1=O ZINC000631786329 530139726 /nfs/dbraw/zinc/13/97/26/530139726.db2.gz VIRUYEXEBYZQIL-HIFRSBDPSA-N 1 2 377.532 -0.266 20 0 GBADLO CCN1C[C@H](S(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1=O ZINC000631786331 530139611 /nfs/dbraw/zinc/13/96/11/530139611.db2.gz VIRUYEXEBYZQIL-UKRRQHHQSA-N 1 2 377.532 -0.266 20 0 GBADLO CCN1C[C@@H](S(=O)(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1=O ZINC000631786333 530139410 /nfs/dbraw/zinc/13/94/10/530139410.db2.gz VIRUYEXEBYZQIL-ZFWWWQNUSA-N 1 2 377.532 -0.266 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000631859470 530140519 /nfs/dbraw/zinc/14/05/19/530140519.db2.gz ASQJPBJMDSFKMO-HNNXBMFYSA-N 1 2 376.500 -0.019 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000631859470 530140517 /nfs/dbraw/zinc/14/05/17/530140517.db2.gz ASQJPBJMDSFKMO-HNNXBMFYSA-N 1 2 376.500 -0.019 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000631859471 530140583 /nfs/dbraw/zinc/14/05/83/530140583.db2.gz ASQJPBJMDSFKMO-OAHLLOKOSA-N 1 2 376.500 -0.019 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000631859471 530140581 /nfs/dbraw/zinc/14/05/81/530140581.db2.gz ASQJPBJMDSFKMO-OAHLLOKOSA-N 1 2 376.500 -0.019 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000631891766 530140507 /nfs/dbraw/zinc/14/05/07/530140507.db2.gz KXNRPPJNIJPWPG-CABCVRRESA-N 1 2 375.491 -0.640 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000631891766 530140504 /nfs/dbraw/zinc/14/05/04/530140504.db2.gz KXNRPPJNIJPWPG-CABCVRRESA-N 1 2 375.491 -0.640 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000631891767 530140218 /nfs/dbraw/zinc/14/02/18/530140218.db2.gz KXNRPPJNIJPWPG-GJZGRUSLSA-N 1 2 375.491 -0.640 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC000631891767 530140215 /nfs/dbraw/zinc/14/02/15/530140215.db2.gz KXNRPPJNIJPWPG-GJZGRUSLSA-N 1 2 375.491 -0.640 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000631891768 530140621 /nfs/dbraw/zinc/14/06/21/530140621.db2.gz KXNRPPJNIJPWPG-HUUCEWRRSA-N 1 2 375.491 -0.640 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000631891768 530140620 /nfs/dbraw/zinc/14/06/20/530140620.db2.gz KXNRPPJNIJPWPG-HUUCEWRRSA-N 1 2 375.491 -0.640 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000631891769 530140654 /nfs/dbraw/zinc/14/06/54/530140654.db2.gz KXNRPPJNIJPWPG-LSDHHAIUSA-N 1 2 375.491 -0.640 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000631891769 530140653 /nfs/dbraw/zinc/14/06/53/530140653.db2.gz KXNRPPJNIJPWPG-LSDHHAIUSA-N 1 2 375.491 -0.640 20 0 GBADLO CC1(C)COCC[N@H+]1CCNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000631897820 530138086 /nfs/dbraw/zinc/13/80/86/530138086.db2.gz QJRGDMFMUAXQDF-CYBMUJFWSA-N 1 2 383.536 -0.702 20 0 GBADLO CC1(C)COCC[N@@H+]1CCNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000631897820 530138082 /nfs/dbraw/zinc/13/80/82/530138082.db2.gz QJRGDMFMUAXQDF-CYBMUJFWSA-N 1 2 383.536 -0.702 20 0 GBADLO CC1(C)COCC[N@H+]1CCNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000631897821 530138361 /nfs/dbraw/zinc/13/83/61/530138361.db2.gz QJRGDMFMUAXQDF-ZDUSSCGKSA-N 1 2 383.536 -0.702 20 0 GBADLO CC1(C)COCC[N@@H+]1CCNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000631897821 530138358 /nfs/dbraw/zinc/13/83/58/530138358.db2.gz QJRGDMFMUAXQDF-ZDUSSCGKSA-N 1 2 383.536 -0.702 20 0 GBADLO C[C@H]([C@H](C)NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000631906291 530140602 /nfs/dbraw/zinc/14/06/02/530140602.db2.gz ITHZMCRBFYYYAQ-BFHYXJOUSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@H](NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000631906292 530140293 /nfs/dbraw/zinc/14/02/93/530140293.db2.gz ITHZMCRBFYYYAQ-IHRRRGAJSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@H](NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000631906293 530140674 /nfs/dbraw/zinc/14/06/74/530140674.db2.gz ITHZMCRBFYYYAQ-MELADBBJSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@H]([C@H](C)NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000631906294 530140552 /nfs/dbraw/zinc/14/05/52/530140552.db2.gz ITHZMCRBFYYYAQ-MJBXVCDLSA-N 1 2 383.536 -0.704 20 0 GBADLO CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631929992 530140358 /nfs/dbraw/zinc/14/03/58/530140358.db2.gz TZTQDVLCYMLEAZ-AWEZNQCLSA-N 1 2 383.536 -0.607 20 0 GBADLO CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631929992 530140355 /nfs/dbraw/zinc/14/03/55/530140355.db2.gz TZTQDVLCYMLEAZ-AWEZNQCLSA-N 1 2 383.536 -0.607 20 0 GBADLO CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631929993 530140590 /nfs/dbraw/zinc/14/05/90/530140590.db2.gz TZTQDVLCYMLEAZ-CQSZACIVSA-N 1 2 383.536 -0.607 20 0 GBADLO CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631929993 530140589 /nfs/dbraw/zinc/14/05/89/530140589.db2.gz TZTQDVLCYMLEAZ-CQSZACIVSA-N 1 2 383.536 -0.607 20 0 GBADLO CCN(C1CCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1)S(C)(=O)=O ZINC000631930091 530140680 /nfs/dbraw/zinc/14/06/80/530140680.db2.gz WWJGNDWOKAMUBD-AWEZNQCLSA-N 1 2 383.536 -0.607 20 0 GBADLO CCN(C1CCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1)S(C)(=O)=O ZINC000631930091 530140679 /nfs/dbraw/zinc/14/06/79/530140679.db2.gz WWJGNDWOKAMUBD-AWEZNQCLSA-N 1 2 383.536 -0.607 20 0 GBADLO CCN(C1CCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1)S(C)(=O)=O ZINC000631930092 530140461 /nfs/dbraw/zinc/14/04/61/530140461.db2.gz WWJGNDWOKAMUBD-CQSZACIVSA-N 1 2 383.536 -0.607 20 0 GBADLO CCN(C1CCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1)S(C)(=O)=O ZINC000631930092 530140459 /nfs/dbraw/zinc/14/04/59/530140459.db2.gz WWJGNDWOKAMUBD-CQSZACIVSA-N 1 2 383.536 -0.607 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000631935641 530141179 /nfs/dbraw/zinc/14/11/79/530141179.db2.gz KSHVNKAWGFJQCD-DZGCQCFKSA-N 1 2 388.515 -0.361 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000631935643 530141347 /nfs/dbraw/zinc/14/13/47/530141347.db2.gz KSHVNKAWGFJQCD-HIFRSBDPSA-N 1 2 388.515 -0.361 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000631935646 530141188 /nfs/dbraw/zinc/14/11/88/530141188.db2.gz KSHVNKAWGFJQCD-UKRRQHHQSA-N 1 2 388.515 -0.361 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000631935647 530140974 /nfs/dbraw/zinc/14/09/74/530140974.db2.gz KSHVNKAWGFJQCD-ZFWWWQNUSA-N 1 2 388.515 -0.361 20 0 GBADLO CCOCC[NH+]1CCN(S(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000631937965 530141487 /nfs/dbraw/zinc/14/14/87/530141487.db2.gz PQXPDJGLAVHIAF-AWEZNQCLSA-N 1 2 383.536 -0.748 20 0 GBADLO CCOCC[NH+]1CCN(S(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000631937966 530141502 /nfs/dbraw/zinc/14/15/02/530141502.db2.gz PQXPDJGLAVHIAF-CQSZACIVSA-N 1 2 383.536 -0.748 20 0 GBADLO CN(c1ccc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc1)S(C)(=O)=O ZINC000631946438 530141355 /nfs/dbraw/zinc/14/13/55/530141355.db2.gz AMGVMBTXDOIAOK-HNNXBMFYSA-N 1 2 391.515 -0.168 20 0 GBADLO CN(c1ccc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc1)S(C)(=O)=O ZINC000631946438 530141353 /nfs/dbraw/zinc/14/13/53/530141353.db2.gz AMGVMBTXDOIAOK-HNNXBMFYSA-N 1 2 391.515 -0.168 20 0 GBADLO CN(c1ccc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)cc1)S(C)(=O)=O ZINC000631946439 530141096 /nfs/dbraw/zinc/14/10/96/530141096.db2.gz AMGVMBTXDOIAOK-OAHLLOKOSA-N 1 2 391.515 -0.168 20 0 GBADLO CN(c1ccc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)cc1)S(C)(=O)=O ZINC000631946439 530141090 /nfs/dbraw/zinc/14/10/90/530141090.db2.gz AMGVMBTXDOIAOK-OAHLLOKOSA-N 1 2 391.515 -0.168 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCCNC(=O)c2c(F)cccc2F)C1 ZINC000631955196 530141003 /nfs/dbraw/zinc/14/10/03/530141003.db2.gz GDKYOZDJFTWORG-LLVKDONJSA-N 1 2 377.413 -0.055 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCCNC(=O)c2c(F)cccc2F)C1 ZINC000631955196 530140997 /nfs/dbraw/zinc/14/09/97/530140997.db2.gz GDKYOZDJFTWORG-LLVKDONJSA-N 1 2 377.413 -0.055 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCCNC(=O)c2c(F)cccc2F)C1 ZINC000631955197 530141448 /nfs/dbraw/zinc/14/14/48/530141448.db2.gz GDKYOZDJFTWORG-NSHDSACASA-N 1 2 377.413 -0.055 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCCNC(=O)c2c(F)cccc2F)C1 ZINC000631955197 530141446 /nfs/dbraw/zinc/14/14/46/530141446.db2.gz GDKYOZDJFTWORG-NSHDSACASA-N 1 2 377.413 -0.055 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000631979660 530141211 /nfs/dbraw/zinc/14/12/11/530141211.db2.gz LZKBADUJDBBRDB-UHFFFAOYSA-N 1 2 375.491 -0.638 20 0 GBADLO C[C@@H](CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)C[NH+]1CCOCC1 ZINC000631997512 530141057 /nfs/dbraw/zinc/14/10/57/530141057.db2.gz CFGZHJWSXQABLM-KBPBESRZSA-N 1 2 383.536 -0.844 20 0 GBADLO C[C@H](CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)C[NH+]1CCOCC1 ZINC000631997513 530141157 /nfs/dbraw/zinc/14/11/57/530141157.db2.gz CFGZHJWSXQABLM-KGLIPLIRSA-N 1 2 383.536 -0.844 20 0 GBADLO C[C@@H](CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)C[NH+]1CCOCC1 ZINC000631997514 530140964 /nfs/dbraw/zinc/14/09/64/530140964.db2.gz CFGZHJWSXQABLM-UONOGXRCSA-N 1 2 383.536 -0.844 20 0 GBADLO C[C@H](CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)C[NH+]1CCOCC1 ZINC000631997515 530141362 /nfs/dbraw/zinc/14/13/62/530141362.db2.gz CFGZHJWSXQABLM-ZIAGYGMSSA-N 1 2 383.536 -0.844 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)C1 ZINC000632008547 530141432 /nfs/dbraw/zinc/14/14/32/530141432.db2.gz VJHGWCJMEQMDQW-AAEUAGOBSA-N 1 2 380.413 -0.046 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)C1 ZINC000632008547 530141430 /nfs/dbraw/zinc/14/14/30/530141430.db2.gz VJHGWCJMEQMDQW-AAEUAGOBSA-N 1 2 380.413 -0.046 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)C1 ZINC000632008548 530141499 /nfs/dbraw/zinc/14/14/99/530141499.db2.gz VJHGWCJMEQMDQW-DGCLKSJQSA-N 1 2 380.413 -0.046 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)C1 ZINC000632008548 530141498 /nfs/dbraw/zinc/14/14/98/530141498.db2.gz VJHGWCJMEQMDQW-DGCLKSJQSA-N 1 2 380.413 -0.046 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)C1 ZINC000632008549 530141491 /nfs/dbraw/zinc/14/14/91/530141491.db2.gz VJHGWCJMEQMDQW-WCQYABFASA-N 1 2 380.413 -0.046 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)C1 ZINC000632008549 530141490 /nfs/dbraw/zinc/14/14/90/530141490.db2.gz VJHGWCJMEQMDQW-WCQYABFASA-N 1 2 380.413 -0.046 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)C1 ZINC000632008550 530141018 /nfs/dbraw/zinc/14/10/18/530141018.db2.gz VJHGWCJMEQMDQW-YPMHNXCESA-N 1 2 380.413 -0.046 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)C1 ZINC000632008550 530141015 /nfs/dbraw/zinc/14/10/15/530141015.db2.gz VJHGWCJMEQMDQW-YPMHNXCESA-N 1 2 380.413 -0.046 20 0 GBADLO CNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000632031083 530141854 /nfs/dbraw/zinc/14/18/54/530141854.db2.gz BSSVTUXJJJOINZ-CYBMUJFWSA-N 1 2 389.499 -0.382 20 0 GBADLO CNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)C[C@H]1C[N@H+](C)CCO1)CC2 ZINC000632031083 530141848 /nfs/dbraw/zinc/14/18/48/530141848.db2.gz BSSVTUXJJJOINZ-CYBMUJFWSA-N 1 2 389.499 -0.382 20 0 GBADLO CNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000632031086 530141966 /nfs/dbraw/zinc/14/19/66/530141966.db2.gz BSSVTUXJJJOINZ-ZDUSSCGKSA-N 1 2 389.499 -0.382 20 0 GBADLO CNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000632031086 530141961 /nfs/dbraw/zinc/14/19/61/530141961.db2.gz BSSVTUXJJJOINZ-ZDUSSCGKSA-N 1 2 389.499 -0.382 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000632033530 530142143 /nfs/dbraw/zinc/14/21/43/530142143.db2.gz AOWCYGPXDSPMPV-CABCVRRESA-N 1 2 395.547 -0.748 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000632033531 530142161 /nfs/dbraw/zinc/14/21/61/530142161.db2.gz AOWCYGPXDSPMPV-GJZGRUSLSA-N 1 2 395.547 -0.748 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000632033532 530142218 /nfs/dbraw/zinc/14/22/18/530142218.db2.gz AOWCYGPXDSPMPV-HUUCEWRRSA-N 1 2 395.547 -0.748 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000632033533 530142055 /nfs/dbraw/zinc/14/20/55/530142055.db2.gz AOWCYGPXDSPMPV-LSDHHAIUSA-N 1 2 395.547 -0.748 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000632039935 530141826 /nfs/dbraw/zinc/14/18/26/530141826.db2.gz RTRXSWQLQIXQCV-CABCVRRESA-N 1 2 395.547 -0.606 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000632039936 530142051 /nfs/dbraw/zinc/14/20/51/530142051.db2.gz RTRXSWQLQIXQCV-GJZGRUSLSA-N 1 2 395.547 -0.606 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000632039937 530141683 /nfs/dbraw/zinc/14/16/83/530141683.db2.gz RTRXSWQLQIXQCV-HUUCEWRRSA-N 1 2 395.547 -0.606 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000632039938 530142121 /nfs/dbraw/zinc/14/21/21/530142121.db2.gz RTRXSWQLQIXQCV-LSDHHAIUSA-N 1 2 395.547 -0.606 20 0 GBADLO CCc1nsc(N2CCN(S(=O)(=O)C[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC000632048483 530142167 /nfs/dbraw/zinc/14/21/67/530142167.db2.gz LSGADYZQBOHJIC-GFCCVEGCSA-N 1 2 375.520 -0.117 20 0 GBADLO CCc1nsc(N2CCN(S(=O)(=O)C[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC000632048483 530142166 /nfs/dbraw/zinc/14/21/66/530142166.db2.gz LSGADYZQBOHJIC-GFCCVEGCSA-N 1 2 375.520 -0.117 20 0 GBADLO CCc1nsc(N2CCN(S(=O)(=O)C[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC000632048484 530142106 /nfs/dbraw/zinc/14/21/06/530142106.db2.gz LSGADYZQBOHJIC-LBPRGKRZSA-N 1 2 375.520 -0.117 20 0 GBADLO CCc1nsc(N2CCN(S(=O)(=O)C[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC000632048484 530142104 /nfs/dbraw/zinc/14/21/04/530142104.db2.gz LSGADYZQBOHJIC-LBPRGKRZSA-N 1 2 375.520 -0.117 20 0 GBADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000632057845 530141834 /nfs/dbraw/zinc/14/18/34/530141834.db2.gz QQJIENRAACICJP-HNNXBMFYSA-N 1 2 397.563 -0.360 20 0 GBADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000632057846 530142138 /nfs/dbraw/zinc/14/21/38/530142138.db2.gz QQJIENRAACICJP-OAHLLOKOSA-N 1 2 397.563 -0.360 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCc2ccccc2CS(C)(=O)=O)C1 ZINC000632071295 530141698 /nfs/dbraw/zinc/14/16/98/530141698.db2.gz WTBWDBUFPJBHRF-HNNXBMFYSA-N 1 2 376.500 -0.019 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCc2ccccc2CS(C)(=O)=O)C1 ZINC000632071295 530141695 /nfs/dbraw/zinc/14/16/95/530141695.db2.gz WTBWDBUFPJBHRF-HNNXBMFYSA-N 1 2 376.500 -0.019 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccccc2CS(C)(=O)=O)C1 ZINC000632071296 530141751 /nfs/dbraw/zinc/14/17/51/530141751.db2.gz WTBWDBUFPJBHRF-OAHLLOKOSA-N 1 2 376.500 -0.019 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccccc2CS(C)(=O)=O)C1 ZINC000632071296 530141749 /nfs/dbraw/zinc/14/17/49/530141749.db2.gz WTBWDBUFPJBHRF-OAHLLOKOSA-N 1 2 376.500 -0.019 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000632086199 530142200 /nfs/dbraw/zinc/14/22/00/530142200.db2.gz ILQBQDADBOACRA-CYBMUJFWSA-N 1 2 381.520 -0.807 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000632086199 530142198 /nfs/dbraw/zinc/14/21/98/530142198.db2.gz ILQBQDADBOACRA-CYBMUJFWSA-N 1 2 381.520 -0.807 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000632086200 530142154 /nfs/dbraw/zinc/14/21/54/530142154.db2.gz ILQBQDADBOACRA-ZDUSSCGKSA-N 1 2 381.520 -0.807 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000632086200 530142152 /nfs/dbraw/zinc/14/21/52/530142152.db2.gz ILQBQDADBOACRA-ZDUSSCGKSA-N 1 2 381.520 -0.807 20 0 GBADLO CN(CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1cccs1 ZINC000632125918 530142905 /nfs/dbraw/zinc/14/29/05/530142905.db2.gz AZKCQKBJDYIFBQ-GFCCVEGCSA-N 1 2 397.544 -0.381 20 0 GBADLO CN(CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)c1cccs1 ZINC000632125918 530142903 /nfs/dbraw/zinc/14/29/03/530142903.db2.gz AZKCQKBJDYIFBQ-GFCCVEGCSA-N 1 2 397.544 -0.381 20 0 GBADLO CN(CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1cccs1 ZINC000632125919 530142830 /nfs/dbraw/zinc/14/28/30/530142830.db2.gz AZKCQKBJDYIFBQ-LBPRGKRZSA-N 1 2 397.544 -0.381 20 0 GBADLO CN(CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)S(=O)(=O)c1cccs1 ZINC000632125919 530142829 /nfs/dbraw/zinc/14/28/29/530142829.db2.gz AZKCQKBJDYIFBQ-LBPRGKRZSA-N 1 2 397.544 -0.381 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000632137900 530142939 /nfs/dbraw/zinc/14/29/39/530142939.db2.gz KJUCGRBQRHLVFE-KBPBESRZSA-N 1 2 388.515 -0.139 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000632137903 530142470 /nfs/dbraw/zinc/14/24/70/530142470.db2.gz KJUCGRBQRHLVFE-KGLIPLIRSA-N 1 2 388.515 -0.139 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000632137904 530142504 /nfs/dbraw/zinc/14/25/04/530142504.db2.gz KJUCGRBQRHLVFE-UONOGXRCSA-N 1 2 388.515 -0.139 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000632137905 530142817 /nfs/dbraw/zinc/14/28/17/530142817.db2.gz KJUCGRBQRHLVFE-ZIAGYGMSSA-N 1 2 388.515 -0.139 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000632141169 530142910 /nfs/dbraw/zinc/14/29/10/530142910.db2.gz LQQXLCVJZUCMNW-KBPBESRZSA-N 1 2 381.520 -0.996 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000632141170 530142715 /nfs/dbraw/zinc/14/27/15/530142715.db2.gz LQQXLCVJZUCMNW-KGLIPLIRSA-N 1 2 381.520 -0.996 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000632141171 530142839 /nfs/dbraw/zinc/14/28/39/530142839.db2.gz LQQXLCVJZUCMNW-UONOGXRCSA-N 1 2 381.520 -0.996 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000632141172 530142445 /nfs/dbraw/zinc/14/24/45/530142445.db2.gz LQQXLCVJZUCMNW-ZIAGYGMSSA-N 1 2 381.520 -0.996 20 0 GBADLO CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000632186894 530142845 /nfs/dbraw/zinc/14/28/45/530142845.db2.gz YLTXQDAGQSVAQH-HNNXBMFYSA-N 1 2 397.563 -0.313 20 0 GBADLO CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000632186894 530142843 /nfs/dbraw/zinc/14/28/43/530142843.db2.gz YLTXQDAGQSVAQH-HNNXBMFYSA-N 1 2 397.563 -0.313 20 0 GBADLO CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000632186895 530142638 /nfs/dbraw/zinc/14/26/38/530142638.db2.gz YLTXQDAGQSVAQH-OAHLLOKOSA-N 1 2 397.563 -0.313 20 0 GBADLO CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000632186895 530142635 /nfs/dbraw/zinc/14/26/35/530142635.db2.gz YLTXQDAGQSVAQH-OAHLLOKOSA-N 1 2 397.563 -0.313 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000632196554 530142894 /nfs/dbraw/zinc/14/28/94/530142894.db2.gz CKCSYBUIQGEESX-CYBMUJFWSA-N 1 2 381.520 -0.807 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000632196554 530142892 /nfs/dbraw/zinc/14/28/92/530142892.db2.gz CKCSYBUIQGEESX-CYBMUJFWSA-N 1 2 381.520 -0.807 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000632196555 530142789 /nfs/dbraw/zinc/14/27/89/530142789.db2.gz CKCSYBUIQGEESX-ZDUSSCGKSA-N 1 2 381.520 -0.807 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)C1 ZINC000632196555 530142786 /nfs/dbraw/zinc/14/27/86/530142786.db2.gz CKCSYBUIQGEESX-ZDUSSCGKSA-N 1 2 381.520 -0.807 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000632199648 530142752 /nfs/dbraw/zinc/14/27/52/530142752.db2.gz LXIVTILIQPWUQR-AWEZNQCLSA-N 1 2 391.515 -0.313 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)c1 ZINC000632199648 530142750 /nfs/dbraw/zinc/14/27/50/530142750.db2.gz LXIVTILIQPWUQR-AWEZNQCLSA-N 1 2 391.515 -0.313 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)c1 ZINC000632199649 530142662 /nfs/dbraw/zinc/14/26/62/530142662.db2.gz LXIVTILIQPWUQR-CQSZACIVSA-N 1 2 391.515 -0.313 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)c1 ZINC000632199649 530142657 /nfs/dbraw/zinc/14/26/57/530142657.db2.gz LXIVTILIQPWUQR-CQSZACIVSA-N 1 2 391.515 -0.313 20 0 GBADLO CCS(=O)(=O)N1CCC(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000632208597 530142775 /nfs/dbraw/zinc/14/27/75/530142775.db2.gz HBNNSKKAQGIDQH-AWEZNQCLSA-N 1 2 383.536 -0.702 20 0 GBADLO CCS(=O)(=O)N1CCC(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000632208597 530142773 /nfs/dbraw/zinc/14/27/73/530142773.db2.gz HBNNSKKAQGIDQH-AWEZNQCLSA-N 1 2 383.536 -0.702 20 0 GBADLO CCS(=O)(=O)N1CCC(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000632208598 530142899 /nfs/dbraw/zinc/14/28/99/530142899.db2.gz HBNNSKKAQGIDQH-CQSZACIVSA-N 1 2 383.536 -0.702 20 0 GBADLO CCS(=O)(=O)N1CCC(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000632208598 530142898 /nfs/dbraw/zinc/14/28/98/530142898.db2.gz HBNNSKKAQGIDQH-CQSZACIVSA-N 1 2 383.536 -0.702 20 0 GBADLO CC1(C)C[N@@H+](CCNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 ZINC000632255062 530143546 /nfs/dbraw/zinc/14/35/46/530143546.db2.gz IIAATXGSVASXKO-CYBMUJFWSA-N 1 2 383.536 -0.702 20 0 GBADLO CC1(C)C[N@H+](CCNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 ZINC000632255062 530143544 /nfs/dbraw/zinc/14/35/44/530143544.db2.gz IIAATXGSVASXKO-CYBMUJFWSA-N 1 2 383.536 -0.702 20 0 GBADLO CC1(C)C[N@@H+](CCNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 ZINC000632255063 530143538 /nfs/dbraw/zinc/14/35/38/530143538.db2.gz IIAATXGSVASXKO-ZDUSSCGKSA-N 1 2 383.536 -0.702 20 0 GBADLO CC1(C)C[N@H+](CCNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 ZINC000632255063 530143536 /nfs/dbraw/zinc/14/35/36/530143536.db2.gz IIAATXGSVASXKO-ZDUSSCGKSA-N 1 2 383.536 -0.702 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)C1 ZINC000632275851 530143408 /nfs/dbraw/zinc/14/34/08/530143408.db2.gz VTGYDUAIAJYXMO-AWEZNQCLSA-N 1 2 397.563 -0.171 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)C1 ZINC000632275851 530143404 /nfs/dbraw/zinc/14/34/04/530143404.db2.gz VTGYDUAIAJYXMO-AWEZNQCLSA-N 1 2 397.563 -0.171 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)C1 ZINC000632275852 530143677 /nfs/dbraw/zinc/14/36/77/530143677.db2.gz VTGYDUAIAJYXMO-CQSZACIVSA-N 1 2 397.563 -0.171 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)C1 ZINC000632275852 530143673 /nfs/dbraw/zinc/14/36/73/530143673.db2.gz VTGYDUAIAJYXMO-CQSZACIVSA-N 1 2 397.563 -0.171 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632287530 530143720 /nfs/dbraw/zinc/14/37/20/530143720.db2.gz LTKOATILMJBWAP-KBPBESRZSA-N 1 2 383.536 -0.750 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632287531 530143463 /nfs/dbraw/zinc/14/34/63/530143463.db2.gz LTKOATILMJBWAP-KGLIPLIRSA-N 1 2 383.536 -0.750 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632287532 530143458 /nfs/dbraw/zinc/14/34/58/530143458.db2.gz LTKOATILMJBWAP-UONOGXRCSA-N 1 2 383.536 -0.750 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632287533 530143297 /nfs/dbraw/zinc/14/32/97/530143297.db2.gz LTKOATILMJBWAP-ZIAGYGMSSA-N 1 2 383.536 -0.750 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632287663 530143558 /nfs/dbraw/zinc/14/35/58/530143558.db2.gz QUTDNWBAUYFFSX-AWEZNQCLSA-N 1 2 397.563 -0.360 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632287663 530143557 /nfs/dbraw/zinc/14/35/57/530143557.db2.gz QUTDNWBAUYFFSX-AWEZNQCLSA-N 1 2 397.563 -0.360 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632287664 530143703 /nfs/dbraw/zinc/14/37/03/530143703.db2.gz QUTDNWBAUYFFSX-CQSZACIVSA-N 1 2 397.563 -0.360 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632287664 530143700 /nfs/dbraw/zinc/14/37/00/530143700.db2.gz QUTDNWBAUYFFSX-CQSZACIVSA-N 1 2 397.563 -0.360 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000632287703 530143263 /nfs/dbraw/zinc/14/32/63/530143263.db2.gz SNWBNZXEAMXKHO-QLFBSQMISA-N 1 2 397.563 -0.361 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000632287703 530143259 /nfs/dbraw/zinc/14/32/59/530143259.db2.gz SNWBNZXEAMXKHO-QLFBSQMISA-N 1 2 397.563 -0.361 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000632287704 530143592 /nfs/dbraw/zinc/14/35/92/530143592.db2.gz SNWBNZXEAMXKHO-ZNMIVQPWSA-N 1 2 397.563 -0.361 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000632287704 530143590 /nfs/dbraw/zinc/14/35/90/530143590.db2.gz SNWBNZXEAMXKHO-ZNMIVQPWSA-N 1 2 397.563 -0.361 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000632289455 530143445 /nfs/dbraw/zinc/14/34/45/530143445.db2.gz VEWGXEHYNSTEDV-KBPBESRZSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000632289455 530143442 /nfs/dbraw/zinc/14/34/42/530143442.db2.gz VEWGXEHYNSTEDV-KBPBESRZSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000632289457 530143421 /nfs/dbraw/zinc/14/34/21/530143421.db2.gz VEWGXEHYNSTEDV-KGLIPLIRSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000632289457 530143419 /nfs/dbraw/zinc/14/34/19/530143419.db2.gz VEWGXEHYNSTEDV-KGLIPLIRSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000632289458 530143432 /nfs/dbraw/zinc/14/34/32/530143432.db2.gz VEWGXEHYNSTEDV-UONOGXRCSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000632289458 530143429 /nfs/dbraw/zinc/14/34/29/530143429.db2.gz VEWGXEHYNSTEDV-UONOGXRCSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000632289459 530143203 /nfs/dbraw/zinc/14/32/03/530143203.db2.gz VEWGXEHYNSTEDV-ZIAGYGMSSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 ZINC000632289459 530143199 /nfs/dbraw/zinc/14/31/99/530143199.db2.gz VEWGXEHYNSTEDV-ZIAGYGMSSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000632310039 530144274 /nfs/dbraw/zinc/14/42/74/530144274.db2.gz QECYXTWWAIZFRD-AWEZNQCLSA-N 1 2 395.547 -0.463 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000632310039 530144272 /nfs/dbraw/zinc/14/42/72/530144272.db2.gz QECYXTWWAIZFRD-AWEZNQCLSA-N 1 2 395.547 -0.463 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000632310040 530144290 /nfs/dbraw/zinc/14/42/90/530144290.db2.gz QECYXTWWAIZFRD-CQSZACIVSA-N 1 2 395.547 -0.463 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000632310040 530144288 /nfs/dbraw/zinc/14/42/88/530144288.db2.gz QECYXTWWAIZFRD-CQSZACIVSA-N 1 2 395.547 -0.463 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000632313108 530144316 /nfs/dbraw/zinc/14/43/16/530144316.db2.gz ALAVBGYBOPPRTN-CYBMUJFWSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000632313108 530144313 /nfs/dbraw/zinc/14/43/13/530144313.db2.gz ALAVBGYBOPPRTN-CYBMUJFWSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000632313109 530144309 /nfs/dbraw/zinc/14/43/09/530144309.db2.gz ALAVBGYBOPPRTN-ZDUSSCGKSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000632313109 530144308 /nfs/dbraw/zinc/14/43/08/530144308.db2.gz ALAVBGYBOPPRTN-ZDUSSCGKSA-N 1 2 381.520 -0.853 20 0 GBADLO CN(C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1)S(C)(=O)=O ZINC000632327693 530144460 /nfs/dbraw/zinc/14/44/60/530144460.db2.gz DMKYDHOMRRNKOK-KBPBESRZSA-N 1 2 383.536 -0.750 20 0 GBADLO CN(C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1)S(C)(=O)=O ZINC000632327693 530144458 /nfs/dbraw/zinc/14/44/58/530144458.db2.gz DMKYDHOMRRNKOK-KBPBESRZSA-N 1 2 383.536 -0.750 20 0 GBADLO CN(C[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1)S(C)(=O)=O ZINC000632327694 530144086 /nfs/dbraw/zinc/14/40/86/530144086.db2.gz DMKYDHOMRRNKOK-KGLIPLIRSA-N 1 2 383.536 -0.750 20 0 GBADLO CN(C[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1)S(C)(=O)=O ZINC000632327694 530144084 /nfs/dbraw/zinc/14/40/84/530144084.db2.gz DMKYDHOMRRNKOK-KGLIPLIRSA-N 1 2 383.536 -0.750 20 0 GBADLO CN(C[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1)S(C)(=O)=O ZINC000632327695 530144208 /nfs/dbraw/zinc/14/42/08/530144208.db2.gz DMKYDHOMRRNKOK-UONOGXRCSA-N 1 2 383.536 -0.750 20 0 GBADLO CN(C[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1)S(C)(=O)=O ZINC000632327695 530144206 /nfs/dbraw/zinc/14/42/06/530144206.db2.gz DMKYDHOMRRNKOK-UONOGXRCSA-N 1 2 383.536 -0.750 20 0 GBADLO CN(C[C@H]1CCCN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1)S(C)(=O)=O ZINC000632327696 530144440 /nfs/dbraw/zinc/14/44/40/530144440.db2.gz DMKYDHOMRRNKOK-ZIAGYGMSSA-N 1 2 383.536 -0.750 20 0 GBADLO CN(C[C@H]1CCCN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1)S(C)(=O)=O ZINC000632327696 530144437 /nfs/dbraw/zinc/14/44/37/530144437.db2.gz DMKYDHOMRRNKOK-ZIAGYGMSSA-N 1 2 383.536 -0.750 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632331916 530111496 /nfs/dbraw/zinc/11/14/96/530111496.db2.gz USUNEKQGYXPMDV-ILXRZTDVSA-N 1 2 395.547 -0.607 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632331917 530111536 /nfs/dbraw/zinc/11/15/36/530111536.db2.gz USUNEKQGYXPMDV-KFWWJZLASA-N 1 2 395.547 -0.607 20 0 GBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632331918 530144505 /nfs/dbraw/zinc/14/45/05/530144505.db2.gz USUNEKQGYXPMDV-QLFBSQMISA-N 1 2 395.547 -0.607 20 0 GBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632331919 530144221 /nfs/dbraw/zinc/14/42/21/530144221.db2.gz USUNEKQGYXPMDV-RBSFLKMASA-N 1 2 395.547 -0.607 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC000632334103 530145288 /nfs/dbraw/zinc/14/52/88/530145288.db2.gz VSLPWKMZIDBPJH-NEPJUHHUSA-N 1 2 375.413 -0.501 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC000632334103 530145285 /nfs/dbraw/zinc/14/52/85/530145285.db2.gz VSLPWKMZIDBPJH-NEPJUHHUSA-N 1 2 375.413 -0.501 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC000632334104 530145340 /nfs/dbraw/zinc/14/53/40/530145340.db2.gz VSLPWKMZIDBPJH-NWDGAFQWSA-N 1 2 375.413 -0.501 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC000632334104 530145336 /nfs/dbraw/zinc/14/53/36/530145336.db2.gz VSLPWKMZIDBPJH-NWDGAFQWSA-N 1 2 375.413 -0.501 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC000632334105 530145240 /nfs/dbraw/zinc/14/52/40/530145240.db2.gz VSLPWKMZIDBPJH-RYUDHWBXSA-N 1 2 375.413 -0.501 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC000632334105 530145237 /nfs/dbraw/zinc/14/52/37/530145237.db2.gz VSLPWKMZIDBPJH-RYUDHWBXSA-N 1 2 375.413 -0.501 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC000632334106 530145139 /nfs/dbraw/zinc/14/51/39/530145139.db2.gz VSLPWKMZIDBPJH-VXGBXAGGSA-N 1 2 375.413 -0.501 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC000632334106 530145136 /nfs/dbraw/zinc/14/51/36/530145136.db2.gz VSLPWKMZIDBPJH-VXGBXAGGSA-N 1 2 375.413 -0.501 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1 ZINC000632339728 530144920 /nfs/dbraw/zinc/14/49/20/530144920.db2.gz COXQQJUXVIYHJS-KBPBESRZSA-N 1 2 395.547 -0.559 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1 ZINC000632339728 530144917 /nfs/dbraw/zinc/14/49/17/530144917.db2.gz COXQQJUXVIYHJS-KBPBESRZSA-N 1 2 395.547 -0.559 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1 ZINC000632339729 530144810 /nfs/dbraw/zinc/14/48/10/530144810.db2.gz COXQQJUXVIYHJS-KGLIPLIRSA-N 1 2 395.547 -0.559 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1 ZINC000632339729 530144809 /nfs/dbraw/zinc/14/48/09/530144809.db2.gz COXQQJUXVIYHJS-KGLIPLIRSA-N 1 2 395.547 -0.559 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1 ZINC000632339730 530144747 /nfs/dbraw/zinc/14/47/47/530144747.db2.gz COXQQJUXVIYHJS-UONOGXRCSA-N 1 2 395.547 -0.559 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1 ZINC000632339730 530144744 /nfs/dbraw/zinc/14/47/44/530144744.db2.gz COXQQJUXVIYHJS-UONOGXRCSA-N 1 2 395.547 -0.559 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1 ZINC000632339731 530145130 /nfs/dbraw/zinc/14/51/30/530145130.db2.gz COXQQJUXVIYHJS-ZIAGYGMSSA-N 1 2 395.547 -0.559 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1 ZINC000632339731 530145129 /nfs/dbraw/zinc/14/51/29/530145129.db2.gz COXQQJUXVIYHJS-ZIAGYGMSSA-N 1 2 395.547 -0.559 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000632355269 530145221 /nfs/dbraw/zinc/14/52/21/530145221.db2.gz BYSCCWMQIAOMTL-UHFFFAOYSA-N 1 2 389.499 -0.453 20 0 GBADLO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)CC1 ZINC000632355473 530145324 /nfs/dbraw/zinc/14/53/24/530145324.db2.gz KLUSUGGCVXEDCU-UHFFFAOYSA-N 1 2 395.547 -0.748 20 0 GBADLO CS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cn1 ZINC000632355670 530144756 /nfs/dbraw/zinc/14/47/56/530144756.db2.gz RMOFXUHFHDGMPE-UHFFFAOYSA-N 1 2 375.472 -0.562 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c1 ZINC000632356084 530144793 /nfs/dbraw/zinc/14/47/93/530144793.db2.gz HLSSENMFJVEOCF-UHFFFAOYSA-N 1 2 389.499 -0.453 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cc1 ZINC000632356692 530145210 /nfs/dbraw/zinc/14/52/10/530145210.db2.gz YQMOBLPVAMJXFM-UHFFFAOYSA-N 1 2 389.499 -0.453 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000632380621 530145107 /nfs/dbraw/zinc/14/51/07/530145107.db2.gz GSPGTEKVHNQALA-GFCCVEGCSA-N 1 2 394.291 -0.139 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000632380621 530145104 /nfs/dbraw/zinc/14/51/04/530145104.db2.gz GSPGTEKVHNQALA-GFCCVEGCSA-N 1 2 394.291 -0.139 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000632380622 530145190 /nfs/dbraw/zinc/14/51/90/530145190.db2.gz GSPGTEKVHNQALA-LBPRGKRZSA-N 1 2 394.291 -0.139 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000632380622 530145187 /nfs/dbraw/zinc/14/51/87/530145187.db2.gz GSPGTEKVHNQALA-LBPRGKRZSA-N 1 2 394.291 -0.139 20 0 GBADLO COCCOCCOCCS(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632385249 530145261 /nfs/dbraw/zinc/14/52/61/530145261.db2.gz DPQHVMKVBPPBSN-INIZCTEOSA-N 1 2 380.507 -0.208 20 0 GBADLO COCCOCCOCCS(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632385250 530144780 /nfs/dbraw/zinc/14/47/80/530144780.db2.gz DPQHVMKVBPPBSN-MRXNPFEDSA-N 1 2 380.507 -0.208 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000632386448 530144877 /nfs/dbraw/zinc/14/48/77/530144877.db2.gz ZUYDMRTUTQTGSU-AWEZNQCLSA-N 1 2 383.536 -0.606 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000632386449 530145257 /nfs/dbraw/zinc/14/52/57/530145257.db2.gz ZUYDMRTUTQTGSU-CQSZACIVSA-N 1 2 383.536 -0.606 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000632386452 530145084 /nfs/dbraw/zinc/14/50/84/530145084.db2.gz ZYBROIZMUJSQCM-CABCVRRESA-N 1 2 395.547 -0.606 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000632386453 530145095 /nfs/dbraw/zinc/14/50/95/530145095.db2.gz ZYBROIZMUJSQCM-GJZGRUSLSA-N 1 2 395.547 -0.606 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000632386454 530145019 /nfs/dbraw/zinc/14/50/19/530145019.db2.gz ZYBROIZMUJSQCM-HUUCEWRRSA-N 1 2 395.547 -0.606 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000632386455 530145079 /nfs/dbraw/zinc/14/50/79/530145079.db2.gz ZYBROIZMUJSQCM-LSDHHAIUSA-N 1 2 395.547 -0.606 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000632414344 530145272 /nfs/dbraw/zinc/14/52/72/530145272.db2.gz XDQZKPXNLFRDPL-MCIONIFRSA-N 1 2 381.520 -0.950 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000632414344 530145271 /nfs/dbraw/zinc/14/52/71/530145271.db2.gz XDQZKPXNLFRDPL-MCIONIFRSA-N 1 2 381.520 -0.950 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000632414345 530145165 /nfs/dbraw/zinc/14/51/65/530145165.db2.gz XDQZKPXNLFRDPL-MELADBBJSA-N 1 2 381.520 -0.950 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000632414345 530145163 /nfs/dbraw/zinc/14/51/63/530145163.db2.gz XDQZKPXNLFRDPL-MELADBBJSA-N 1 2 381.520 -0.950 20 0 GBADLO C[C@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1cscn1 ZINC000632432380 530146113 /nfs/dbraw/zinc/14/61/13/530146113.db2.gz NGXCOXYCECWXAW-QWHCGFSZSA-N 1 2 388.515 -0.050 20 0 GBADLO C[C@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1cscn1 ZINC000632432380 530146111 /nfs/dbraw/zinc/14/61/11/530146111.db2.gz NGXCOXYCECWXAW-QWHCGFSZSA-N 1 2 388.515 -0.050 20 0 GBADLO C[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1cscn1 ZINC000632432381 530145638 /nfs/dbraw/zinc/14/56/38/530145638.db2.gz NGXCOXYCECWXAW-STQMWFEESA-N 1 2 388.515 -0.050 20 0 GBADLO C[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1cscn1 ZINC000632432381 530145635 /nfs/dbraw/zinc/14/56/35/530145635.db2.gz NGXCOXYCECWXAW-STQMWFEESA-N 1 2 388.515 -0.050 20 0 GBADLO CN1CCO[C@H](CS(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000632439200 530145709 /nfs/dbraw/zinc/14/57/09/530145709.db2.gz PQQOBFCLMHMKJY-HNNXBMFYSA-N 1 2 377.507 -0.882 20 0 GBADLO CN1CCO[C@@H](CS(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000632439201 530145700 /nfs/dbraw/zinc/14/57/00/530145700.db2.gz PQQOBFCLMHMKJY-OAHLLOKOSA-N 1 2 377.507 -0.882 20 0 GBADLO CCN1C[C@@H](S(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1=O ZINC000632439455 530146065 /nfs/dbraw/zinc/14/60/65/530146065.db2.gz XVPVBNZMYKCRAR-AWEZNQCLSA-N 1 2 375.491 -0.592 20 0 GBADLO CCN1C[C@H](S(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1=O ZINC000632439456 530146118 /nfs/dbraw/zinc/14/61/18/530146118.db2.gz XVPVBNZMYKCRAR-CQSZACIVSA-N 1 2 375.491 -0.592 20 0 GBADLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)C1 ZINC000632452864 530146055 /nfs/dbraw/zinc/14/60/55/530146055.db2.gz JSOCWWXCMQHSTO-AWEZNQCLSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)C1 ZINC000632452864 530146052 /nfs/dbraw/zinc/14/60/52/530146052.db2.gz JSOCWWXCMQHSTO-AWEZNQCLSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)C1 ZINC000632452865 530146028 /nfs/dbraw/zinc/14/60/28/530146028.db2.gz JSOCWWXCMQHSTO-CQSZACIVSA-N 1 2 381.520 -0.853 20 0 GBADLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)C1 ZINC000632452865 530146026 /nfs/dbraw/zinc/14/60/26/530146026.db2.gz JSOCWWXCMQHSTO-CQSZACIVSA-N 1 2 381.520 -0.853 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000632453873 530146107 /nfs/dbraw/zinc/14/61/07/530146107.db2.gz LVUHRPQNOQPGPR-HNNXBMFYSA-N 1 2 375.491 -0.642 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000632453874 530146001 /nfs/dbraw/zinc/14/60/01/530146001.db2.gz LVUHRPQNOQPGPR-OAHLLOKOSA-N 1 2 375.491 -0.642 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632457601 530145880 /nfs/dbraw/zinc/14/58/80/530145880.db2.gz JXXNDCTVGAPTRN-CYBMUJFWSA-N 1 2 383.536 -0.702 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632457602 530145846 /nfs/dbraw/zinc/14/58/46/530145846.db2.gz JXXNDCTVGAPTRN-ZDUSSCGKSA-N 1 2 383.536 -0.702 20 0 GBADLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632462387 530145554 /nfs/dbraw/zinc/14/55/54/530145554.db2.gz NNQUEQRRAGNZBB-AWEZNQCLSA-N 1 2 397.563 -0.360 20 0 GBADLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632462388 530145582 /nfs/dbraw/zinc/14/55/82/530145582.db2.gz NNQUEQRRAGNZBB-CQSZACIVSA-N 1 2 397.563 -0.360 20 0 GBADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000632482363 530146103 /nfs/dbraw/zinc/14/61/03/530146103.db2.gz AOUYJVZXGDYXMG-AWEZNQCLSA-N 1 2 397.563 -0.360 20 0 GBADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000632482364 530145767 /nfs/dbraw/zinc/14/57/67/530145767.db2.gz AOUYJVZXGDYXMG-CQSZACIVSA-N 1 2 397.563 -0.360 20 0 GBADLO COCCN(CCOC)S(=O)(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632501239 530145750 /nfs/dbraw/zinc/14/57/50/530145750.db2.gz LEHWIMBBIDJSDX-CABCVRRESA-N 1 2 379.523 -0.085 20 0 GBADLO COCCN(CCOC)S(=O)(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632501240 530145523 /nfs/dbraw/zinc/14/55/23/530145523.db2.gz LEHWIMBBIDJSDX-GJZGRUSLSA-N 1 2 379.523 -0.085 20 0 GBADLO COCCN(CCOC)S(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632501241 530145627 /nfs/dbraw/zinc/14/56/27/530145627.db2.gz LEHWIMBBIDJSDX-HUUCEWRRSA-N 1 2 379.523 -0.085 20 0 GBADLO COCCN(CCOC)S(=O)(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632501242 530145572 /nfs/dbraw/zinc/14/55/72/530145572.db2.gz LEHWIMBBIDJSDX-LSDHHAIUSA-N 1 2 379.523 -0.085 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632501659 530145901 /nfs/dbraw/zinc/14/59/01/530145901.db2.gz OFXJTERVQAEJOW-KBPBESRZSA-N 1 2 397.563 -0.313 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000632501660 530146125 /nfs/dbraw/zinc/14/61/25/530146125.db2.gz OFXJTERVQAEJOW-KGLIPLIRSA-N 1 2 397.563 -0.313 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632501661 530145660 /nfs/dbraw/zinc/14/56/60/530145660.db2.gz OFXJTERVQAEJOW-UONOGXRCSA-N 1 2 397.563 -0.313 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000632501662 530145853 /nfs/dbraw/zinc/14/58/53/530145853.db2.gz OFXJTERVQAEJOW-ZIAGYGMSSA-N 1 2 397.563 -0.313 20 0 GBADLO COCCOCC[NH+]1CCN(S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000632514209 530145511 /nfs/dbraw/zinc/14/55/11/530145511.db2.gz DWBAINDTGZGQMK-HNNXBMFYSA-N 1 2 375.491 -0.640 20 0 GBADLO COCCOCC[NH+]1CCN(S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000632514210 530145586 /nfs/dbraw/zinc/14/55/86/530145586.db2.gz DWBAINDTGZGQMK-OAHLLOKOSA-N 1 2 375.491 -0.640 20 0 GBADLO C[C@H](CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000632536947 530146818 /nfs/dbraw/zinc/14/68/18/530146818.db2.gz WHYURZQESAEJNA-APIJFGDWSA-N 1 2 397.563 -0.315 20 0 GBADLO C[C@H](CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000632536947 530146817 /nfs/dbraw/zinc/14/68/17/530146817.db2.gz WHYURZQESAEJNA-APIJFGDWSA-N 1 2 397.563 -0.315 20 0 GBADLO C[C@@H](CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000632536948 530146894 /nfs/dbraw/zinc/14/68/94/530146894.db2.gz WHYURZQESAEJNA-BYNSBNAKSA-N 1 2 397.563 -0.315 20 0 GBADLO C[C@@H](CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000632536948 530146893 /nfs/dbraw/zinc/14/68/93/530146893.db2.gz WHYURZQESAEJNA-BYNSBNAKSA-N 1 2 397.563 -0.315 20 0 GBADLO C[C@H](CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000632536949 530146660 /nfs/dbraw/zinc/14/66/60/530146660.db2.gz WHYURZQESAEJNA-KBXIAJHMSA-N 1 2 397.563 -0.315 20 0 GBADLO C[C@H](CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000632536949 530146658 /nfs/dbraw/zinc/14/66/58/530146658.db2.gz WHYURZQESAEJNA-KBXIAJHMSA-N 1 2 397.563 -0.315 20 0 GBADLO C[C@@H](CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000632536950 530146724 /nfs/dbraw/zinc/14/67/24/530146724.db2.gz WHYURZQESAEJNA-XQLPTFJDSA-N 1 2 397.563 -0.315 20 0 GBADLO C[C@@H](CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000632536950 530146723 /nfs/dbraw/zinc/14/67/23/530146723.db2.gz WHYURZQESAEJNA-XQLPTFJDSA-N 1 2 397.563 -0.315 20 0 GBADLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H](C)CO1 ZINC000632550112 530146733 /nfs/dbraw/zinc/14/67/33/530146733.db2.gz QGROOIRDKDMSEH-BFHYXJOUSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@@H]1C[N@H+](CCNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H](C)CO1 ZINC000632550112 530146731 /nfs/dbraw/zinc/14/67/31/530146731.db2.gz QGROOIRDKDMSEH-BFHYXJOUSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)[C@H](C)CO1 ZINC000632550113 530146796 /nfs/dbraw/zinc/14/67/96/530146796.db2.gz QGROOIRDKDMSEH-MCIONIFRSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@@H]1C[N@H+](CCNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)[C@H](C)CO1 ZINC000632550113 530146794 /nfs/dbraw/zinc/14/67/94/530146794.db2.gz QGROOIRDKDMSEH-MCIONIFRSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H](C)CO1 ZINC000632550114 530146341 /nfs/dbraw/zinc/14/63/41/530146341.db2.gz QGROOIRDKDMSEH-MGPQQGTHSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@@H]1C[N@H+](CCNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H](C)CO1 ZINC000632550114 530146337 /nfs/dbraw/zinc/14/63/37/530146337.db2.gz QGROOIRDKDMSEH-MGPQQGTHSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H](C)CO1 ZINC000632550115 530146443 /nfs/dbraw/zinc/14/64/43/530146443.db2.gz QGROOIRDKDMSEH-MJBXVCDLSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@@H]1C[N@H+](CCNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H](C)CO1 ZINC000632550115 530146439 /nfs/dbraw/zinc/14/64/39/530146439.db2.gz QGROOIRDKDMSEH-MJBXVCDLSA-N 1 2 383.536 -0.704 20 0 GBADLO C[N@H+]1CCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)[C@H](CO)C1 ZINC000632576799 530146382 /nfs/dbraw/zinc/14/63/82/530146382.db2.gz AKPNXXBAKFZOBR-AWEZNQCLSA-N 1 2 389.499 -0.477 20 0 GBADLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)[C@H](CO)C1 ZINC000632576799 530146376 /nfs/dbraw/zinc/14/63/76/530146376.db2.gz AKPNXXBAKFZOBR-AWEZNQCLSA-N 1 2 389.499 -0.477 20 0 GBADLO C[N@H+]1CCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)[C@@H](CO)C1 ZINC000632576800 530146692 /nfs/dbraw/zinc/14/66/92/530146692.db2.gz AKPNXXBAKFZOBR-CQSZACIVSA-N 1 2 389.499 -0.477 20 0 GBADLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)[C@@H](CO)C1 ZINC000632576800 530146690 /nfs/dbraw/zinc/14/66/90/530146690.db2.gz AKPNXXBAKFZOBR-CQSZACIVSA-N 1 2 389.499 -0.477 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000632577260 530146608 /nfs/dbraw/zinc/14/66/08/530146608.db2.gz OZYLUUDOAKYALA-GFCCVEGCSA-N 1 2 377.488 -0.766 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CO)cc1 ZINC000632577260 530146605 /nfs/dbraw/zinc/14/66/05/530146605.db2.gz OZYLUUDOAKYALA-GFCCVEGCSA-N 1 2 377.488 -0.766 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC000632577261 530146283 /nfs/dbraw/zinc/14/62/83/530146283.db2.gz OZYLUUDOAKYALA-LBPRGKRZSA-N 1 2 377.488 -0.766 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CO)cc1 ZINC000632577261 530146280 /nfs/dbraw/zinc/14/62/80/530146280.db2.gz OZYLUUDOAKYALA-LBPRGKRZSA-N 1 2 377.488 -0.766 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000632577329 530146315 /nfs/dbraw/zinc/14/63/15/530146315.db2.gz QPBPVRLGULNVIZ-GFCCVEGCSA-N 1 2 377.488 -0.766 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000632577329 530146313 /nfs/dbraw/zinc/14/63/13/530146313.db2.gz QPBPVRLGULNVIZ-GFCCVEGCSA-N 1 2 377.488 -0.766 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000632577330 530146791 /nfs/dbraw/zinc/14/67/91/530146791.db2.gz QPBPVRLGULNVIZ-LBPRGKRZSA-N 1 2 377.488 -0.766 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CO)c1 ZINC000632577330 530146790 /nfs/dbraw/zinc/14/67/90/530146790.db2.gz QPBPVRLGULNVIZ-LBPRGKRZSA-N 1 2 377.488 -0.766 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632577512 530146768 /nfs/dbraw/zinc/14/67/68/530146768.db2.gz CPMQWWATLOBIQK-GFCCVEGCSA-N 1 2 377.488 -0.766 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632577512 530146767 /nfs/dbraw/zinc/14/67/67/530146767.db2.gz CPMQWWATLOBIQK-GFCCVEGCSA-N 1 2 377.488 -0.766 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632577514 530146801 /nfs/dbraw/zinc/14/68/01/530146801.db2.gz CPMQWWATLOBIQK-LBPRGKRZSA-N 1 2 377.488 -0.766 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632577514 530146800 /nfs/dbraw/zinc/14/68/00/530146800.db2.gz CPMQWWATLOBIQK-LBPRGKRZSA-N 1 2 377.488 -0.766 20 0 GBADLO CCN1C[C@@H](S(=O)(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1=O ZINC000632592327 530146741 /nfs/dbraw/zinc/14/67/41/530146741.db2.gz FHSJRCHUKPNMKZ-BBRMVZONSA-N 1 2 375.491 -0.858 20 0 GBADLO CCN1C[C@@H](S(=O)(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1=O ZINC000632592327 530146740 /nfs/dbraw/zinc/14/67/40/530146740.db2.gz FHSJRCHUKPNMKZ-BBRMVZONSA-N 1 2 375.491 -0.858 20 0 GBADLO CCN1C[C@H](S(=O)(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1=O ZINC000632592329 530146630 /nfs/dbraw/zinc/14/66/30/530146630.db2.gz FHSJRCHUKPNMKZ-CJNGLKHVSA-N 1 2 375.491 -0.858 20 0 GBADLO CCN1C[C@H](S(=O)(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1=O ZINC000632592329 530146628 /nfs/dbraw/zinc/14/66/28/530146628.db2.gz FHSJRCHUKPNMKZ-CJNGLKHVSA-N 1 2 375.491 -0.858 20 0 GBADLO CCN1C[C@H](S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1=O ZINC000632592330 530146862 /nfs/dbraw/zinc/14/68/62/530146862.db2.gz FHSJRCHUKPNMKZ-CZUORRHYSA-N 1 2 375.491 -0.858 20 0 GBADLO CCN1C[C@H](S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1=O ZINC000632592330 530146860 /nfs/dbraw/zinc/14/68/60/530146860.db2.gz FHSJRCHUKPNMKZ-CZUORRHYSA-N 1 2 375.491 -0.858 20 0 GBADLO CCN1C[C@@H](S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1=O ZINC000632592331 530146357 /nfs/dbraw/zinc/14/63/57/530146357.db2.gz FHSJRCHUKPNMKZ-XJKSGUPXSA-N 1 2 375.491 -0.858 20 0 GBADLO CCN1C[C@@H](S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1=O ZINC000632592331 530146349 /nfs/dbraw/zinc/14/63/49/530146349.db2.gz FHSJRCHUKPNMKZ-XJKSGUPXSA-N 1 2 375.491 -0.858 20 0 GBADLO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000632600296 530146305 /nfs/dbraw/zinc/14/63/05/530146305.db2.gz KGXNCSOSTORAMP-AWEZNQCLSA-N 1 2 395.547 -0.606 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000632600297 530146812 /nfs/dbraw/zinc/14/68/12/530146812.db2.gz KGXNCSOSTORAMP-CQSZACIVSA-N 1 2 395.547 -0.606 20 0 GBADLO CN(C[C@@H]1C[N@@H+](C)CCO1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000632631725 530146703 /nfs/dbraw/zinc/14/67/03/530146703.db2.gz HTKJWJZKEWYPTQ-AWEZNQCLSA-N 1 2 391.515 -0.443 20 0 GBADLO CN(C[C@@H]1C[N@H+](C)CCO1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000632631725 530146701 /nfs/dbraw/zinc/14/67/01/530146701.db2.gz HTKJWJZKEWYPTQ-AWEZNQCLSA-N 1 2 391.515 -0.443 20 0 GBADLO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000632631726 530146651 /nfs/dbraw/zinc/14/66/51/530146651.db2.gz HTKJWJZKEWYPTQ-CQSZACIVSA-N 1 2 391.515 -0.443 20 0 GBADLO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000632631726 530146649 /nfs/dbraw/zinc/14/66/49/530146649.db2.gz HTKJWJZKEWYPTQ-CQSZACIVSA-N 1 2 391.515 -0.443 20 0 GBADLO CNS(=O)(=O)CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000633473708 530148353 /nfs/dbraw/zinc/14/83/53/530148353.db2.gz JLUNSCFEUXGCJU-AWEZNQCLSA-N 1 2 380.536 -0.567 20 0 GBADLO CNS(=O)(=O)CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000633473709 530148080 /nfs/dbraw/zinc/14/80/80/530148080.db2.gz JLUNSCFEUXGCJU-CQSZACIVSA-N 1 2 380.536 -0.567 20 0 GBADLO O=C(CN1CCS(=O)(=O)CC1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302474 530148928 /nfs/dbraw/zinc/14/89/28/530148928.db2.gz GEWNFKJQNWIYPM-UHFFFAOYSA-N 1 2 384.527 -0.019 20 0 GBADLO CN(C)S(=O)(=O)N(C)CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634304376 530148718 /nfs/dbraw/zinc/14/87/18/530148718.db2.gz DTURHJLVZFBABZ-UHFFFAOYSA-N 1 2 387.531 -0.011 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3NC(=O)CSCC3=O)cc2)CC1 ZINC000634601064 530077574 /nfs/dbraw/zinc/07/75/74/530077574.db2.gz BMZHLYAHLBYIIL-UHFFFAOYSA-N 1 2 384.483 -0.266 20 0 GBADLO CN(c1nc(N(C)[C@@H]2CCNC2=O)c(Br)c[nH+]1)[C@@H]1CCNC1=O ZINC000634798719 530101533 /nfs/dbraw/zinc/10/15/33/530101533.db2.gz KGCRIQZSYQXTNI-NXEZZACHSA-N 1 2 383.250 -0.112 20 0 GBADLO CN(c1nc(N(C)[C@H]2CCNC2=O)c(Br)c[nH+]1)[C@H]1CCNC1=O ZINC000634798720 530101749 /nfs/dbraw/zinc/10/17/49/530101749.db2.gz KGCRIQZSYQXTNI-UWVGGRQHSA-N 1 2 383.250 -0.112 20 0 GBADLO CN(c1nc(N(C)[C@H]2CCNC2=O)c(Br)c[nH+]1)[C@@H]1CCNC1=O ZINC000634798721 530101598 /nfs/dbraw/zinc/10/15/98/530101598.db2.gz KGCRIQZSYQXTNI-VHSXEESVSA-N 1 2 383.250 -0.112 20 0 GBADLO CN(c1nc(N(C)[C@H]2CCNC2=O)[nH+]cc1Br)[C@@H]1CCNC1=O ZINC000634798722 530101697 /nfs/dbraw/zinc/10/16/97/530101697.db2.gz KGCRIQZSYQXTNI-ZJUUUORDSA-N 1 2 383.250 -0.112 20 0 GBADLO CO[C@@H]1CN(c2nc(N3C[C@@H](O)[C@H](OC)C3)c(Br)c[nH+]2)C[C@H]1O ZINC000634801253 530101739 /nfs/dbraw/zinc/10/17/39/530101739.db2.gz PQRIGFDMXLBQPJ-DDHJBXDOSA-N 1 2 389.250 -0.369 20 0 GBADLO CCC(C)(C)[C@@H](O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000635258873 530111598 /nfs/dbraw/zinc/11/15/98/530111598.db2.gz UJEQYCRGWBISBB-AWEZNQCLSA-N 1 2 376.523 -0.580 20 0 GBADLO CCC(C)(C)[C@H](O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000635258879 530111692 /nfs/dbraw/zinc/11/16/92/530111692.db2.gz UJEQYCRGWBISBB-CQSZACIVSA-N 1 2 376.523 -0.580 20 0 GBADLO O=C(CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)NCCN1CCOCC1 ZINC000635549402 1072564139 /nfs/dbraw/zinc/56/41/39/1072564139.db2.gz LJSVVIBXTXDBJE-LBPRGKRZSA-N 1 2 377.367 -0.059 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@@H]1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000635659248 530116301 /nfs/dbraw/zinc/11/63/01/530116301.db2.gz UFRLTAZOLSRWBI-KBPBESRZSA-N 1 2 380.532 -0.079 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@@H]1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000635659255 530116024 /nfs/dbraw/zinc/11/60/24/530116024.db2.gz UFRLTAZOLSRWBI-KGLIPLIRSA-N 1 2 380.532 -0.079 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@H]1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000635659256 530116327 /nfs/dbraw/zinc/11/63/27/530116327.db2.gz UFRLTAZOLSRWBI-UONOGXRCSA-N 1 2 380.532 -0.079 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@H]1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000635659258 530116285 /nfs/dbraw/zinc/11/62/85/530116285.db2.gz UFRLTAZOLSRWBI-ZIAGYGMSSA-N 1 2 380.532 -0.079 20 0 GBADLO CC[NH+](CC)CCN(C(=O)C1=CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000635735471 530117364 /nfs/dbraw/zinc/11/73/64/530117364.db2.gz FTCYKTUGAIJBEL-AWEZNQCLSA-N 1 2 378.516 -0.301 20 0 GBADLO CC[NH+](CC)CCN(C(=O)C1=CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000635735478 530117467 /nfs/dbraw/zinc/11/74/67/530117467.db2.gz FTCYKTUGAIJBEL-CQSZACIVSA-N 1 2 378.516 -0.301 20 0 GBADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000636079738 530121265 /nfs/dbraw/zinc/12/12/65/530121265.db2.gz RUJYFWLHAWCZFK-GMTAPVOTSA-N 1 2 385.408 -0.212 20 0 GBADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000636079745 530121260 /nfs/dbraw/zinc/12/12/60/530121260.db2.gz RUJYFWLHAWCZFK-MXWKQRLJSA-N 1 2 385.408 -0.212 20 0 GBADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000636079746 530121223 /nfs/dbraw/zinc/12/12/23/530121223.db2.gz RUJYFWLHAWCZFK-OUAUKWLOSA-N 1 2 385.408 -0.212 20 0 GBADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000636079747 530120894 /nfs/dbraw/zinc/12/08/94/530120894.db2.gz RUJYFWLHAWCZFK-VWYCJHECSA-N 1 2 385.408 -0.212 20 0 GBADLO CN1CCOC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636456914 1073008013 /nfs/dbraw/zinc/00/80/13/1073008013.db2.gz NJPQITUGGZFARI-QZTJIDSGSA-N 1 2 390.484 -0.550 20 0 GBADLO CN1CCOC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636456914 1073008002 /nfs/dbraw/zinc/00/80/02/1073008002.db2.gz NJPQITUGGZFARI-QZTJIDSGSA-N 1 2 390.484 -0.550 20 0 GBADLO CN1CCOC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636456915 1073008284 /nfs/dbraw/zinc/00/82/84/1073008284.db2.gz NJPQITUGGZFARI-ROUUACIJSA-N 1 2 390.484 -0.550 20 0 GBADLO CN1CCOC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636456915 1073008276 /nfs/dbraw/zinc/00/82/76/1073008276.db2.gz NJPQITUGGZFARI-ROUUACIJSA-N 1 2 390.484 -0.550 20 0 GBADLO CN1CCOC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636456916 1073008248 /nfs/dbraw/zinc/00/82/48/1073008248.db2.gz NJPQITUGGZFARI-ZWKOTPCHSA-N 1 2 390.484 -0.550 20 0 GBADLO CN1CCOC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636456916 1073008241 /nfs/dbraw/zinc/00/82/41/1073008241.db2.gz NJPQITUGGZFARI-ZWKOTPCHSA-N 1 2 390.484 -0.550 20 0 GBADLO CN1CCOC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000636477066 1073050936 /nfs/dbraw/zinc/05/09/36/1073050936.db2.gz KUMAGFHFFMZIAK-GOSISDBHSA-N 1 2 390.484 -0.418 20 0 GBADLO CN1CCOC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000636552707 1073342811 /nfs/dbraw/zinc/34/28/11/1073342811.db2.gz ACMMJLZWVDDFPQ-GOSISDBHSA-N 1 2 389.500 -0.628 20 0 GBADLO CN1CCOC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000636552708 1073342798 /nfs/dbraw/zinc/34/27/98/1073342798.db2.gz ACMMJLZWVDDFPQ-SFHVURJKSA-N 1 2 389.500 -0.628 20 0 GBADLO CCn1nncc1CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000636553286 1073342533 /nfs/dbraw/zinc/34/25/33/1073342533.db2.gz SROFMFRBPYFTLX-UHFFFAOYSA-N 1 2 385.472 -0.147 20 0 GBADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000636593851 1073362735 /nfs/dbraw/zinc/36/27/35/1073362735.db2.gz ZPARTMYRDZAXDV-UHFFFAOYSA-N 1 2 385.472 -0.044 20 0 GBADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CCN(c2nccnn2)CC1 ZINC000636608174 1073363940 /nfs/dbraw/zinc/36/39/40/1073363940.db2.gz HOFNJACMBJTLCQ-UHFFFAOYSA-N 1 2 381.440 -0.348 20 0 GBADLO CS(=O)(=O)NC1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000636627854 530153124 /nfs/dbraw/zinc/15/31/24/530153124.db2.gz BFKAXQQXVCDWLV-AWEZNQCLSA-N 1 2 378.520 -0.863 20 0 GBADLO CS(=O)(=O)NC1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000636627855 530152751 /nfs/dbraw/zinc/15/27/51/530152751.db2.gz BFKAXQQXVCDWLV-CQSZACIVSA-N 1 2 378.520 -0.863 20 0 GBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N(CCO)CCOCCO ZINC000636627888 530153114 /nfs/dbraw/zinc/15/31/14/530153114.db2.gz CDUZBOMULSWXDI-INIZCTEOSA-N 1 2 377.507 -0.793 20 0 GBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N(CCO)CCOCCO ZINC000636627889 530153112 /nfs/dbraw/zinc/15/31/12/530153112.db2.gz CDUZBOMULSWXDI-MRXNPFEDSA-N 1 2 377.507 -0.793 20 0 GBADLO CN1CCOC[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000636682232 1073548409 /nfs/dbraw/zinc/54/84/09/1073548409.db2.gz UFQBLNUPEXEFMB-INIZCTEOSA-N 1 2 390.488 -0.250 20 0 GBADLO CN1CCOC[C@H]1CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000636682234 1073548153 /nfs/dbraw/zinc/54/81/53/1073548153.db2.gz UFQBLNUPEXEFMB-MRXNPFEDSA-N 1 2 390.488 -0.250 20 0 GBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000636719323 1073559911 /nfs/dbraw/zinc/55/99/11/1073559911.db2.gz PETTUDBQFMCGMH-YESZJQIVSA-N 1 2 389.500 -0.062 20 0 GBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000636719332 1073559621 /nfs/dbraw/zinc/55/96/21/1073559621.db2.gz PETTUDBQFMCGMH-ZACQAIPSSA-N 1 2 389.500 -0.062 20 0 GBADLO CO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@@](C)(CO)C1 ZINC000636721000 1073560931 /nfs/dbraw/zinc/56/09/31/1073560931.db2.gz YELNTCQVUQNOHL-CYJAXWMASA-N 1 2 383.489 -0.256 20 0 GBADLO CO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@](C)(CO)C1 ZINC000636721007 1073560969 /nfs/dbraw/zinc/56/09/69/1073560969.db2.gz YELNTCQVUQNOHL-MKSNKDDYSA-N 1 2 383.489 -0.256 20 0 GBADLO CO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@](C)(CO)C1 ZINC000636721009 1073560574 /nfs/dbraw/zinc/56/05/74/1073560574.db2.gz YELNTCQVUQNOHL-RCJHGTSTSA-N 1 2 383.489 -0.256 20 0 GBADLO CO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@@](C)(CO)C1 ZINC000636721011 1073560382 /nfs/dbraw/zinc/56/03/82/1073560382.db2.gz YELNTCQVUQNOHL-WFXMFSGNSA-N 1 2 383.489 -0.256 20 0 GBADLO CN1C[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC1=O ZINC000636721039 1073560694 /nfs/dbraw/zinc/56/06/94/1073560694.db2.gz PRISYVFHCNVEJE-AWEZNQCLSA-N 1 2 391.497 -0.012 20 0 GBADLO CN1C[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC1=O ZINC000636721040 1073560468 /nfs/dbraw/zinc/56/04/68/1073560468.db2.gz PRISYVFHCNVEJE-CQSZACIVSA-N 1 2 391.497 -0.012 20 0 GBADLO CS(=O)(=O)NC1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000636769360 1073568650 /nfs/dbraw/zinc/56/86/50/1073568650.db2.gz HIEQXYNIZYIUCB-INIZCTEOSA-N 1 2 396.513 -0.127 20 0 GBADLO Cn1cc(N2CC[C@H](NC(=O)N3CC[NH+](CCc4cnccn4)CC3)C2=O)cn1 ZINC000636802463 1073579029 /nfs/dbraw/zinc/57/90/29/1073579029.db2.gz SBBUCUQYVRZCPW-KRWDZBQOSA-N 1 2 398.471 -0.115 20 0 GBADLO Cn1cc(N2CC[C@@H](NC(=O)N3CC[NH+](CCc4cnccn4)CC3)C2=O)cn1 ZINC000636802472 1073578667 /nfs/dbraw/zinc/57/86/67/1073578667.db2.gz SBBUCUQYVRZCPW-QGZVFWFLSA-N 1 2 398.471 -0.115 20 0 GBADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000636812513 1073578816 /nfs/dbraw/zinc/57/88/16/1073578816.db2.gz RRXHTQPNGFJVRU-INIZCTEOSA-N 1 2 381.440 -0.177 20 0 GBADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000636812513 1073578801 /nfs/dbraw/zinc/57/88/01/1073578801.db2.gz RRXHTQPNGFJVRU-INIZCTEOSA-N 1 2 381.440 -0.177 20 0 GBADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000636812521 1073578542 /nfs/dbraw/zinc/57/85/42/1073578542.db2.gz RRXHTQPNGFJVRU-MRXNPFEDSA-N 1 2 381.440 -0.177 20 0 GBADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3nccnn3)CC2)C1 ZINC000636812521 1073578534 /nfs/dbraw/zinc/57/85/34/1073578534.db2.gz RRXHTQPNGFJVRU-MRXNPFEDSA-N 1 2 381.440 -0.177 20 0 GBADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000636819665 1073579551 /nfs/dbraw/zinc/57/95/51/1073579551.db2.gz YMTXLYPQESLLTD-INIZCTEOSA-N 1 2 394.497 -0.169 20 0 GBADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000636819665 1073579543 /nfs/dbraw/zinc/57/95/43/1073579543.db2.gz YMTXLYPQESLLTD-INIZCTEOSA-N 1 2 394.497 -0.169 20 0 GBADLO CCN(C)C(=O)CNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000636853584 1073583003 /nfs/dbraw/zinc/58/30/03/1073583003.db2.gz SQLPSKRCSBAYHL-UHFFFAOYSA-N 1 2 379.486 -0.155 20 0 GBADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1=O ZINC000636896140 1073587456 /nfs/dbraw/zinc/58/74/56/1073587456.db2.gz GRLUIMUHKCOHOW-MMMWYMCRSA-N 1 2 380.489 -0.089 20 0 GBADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1=O ZINC000636896140 1073587444 /nfs/dbraw/zinc/58/74/44/1073587444.db2.gz GRLUIMUHKCOHOW-MMMWYMCRSA-N 1 2 380.489 -0.089 20 0 GBADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1=O ZINC000636896142 1073587791 /nfs/dbraw/zinc/58/77/91/1073587791.db2.gz GRLUIMUHKCOHOW-QZNHQWIBSA-N 1 2 380.489 -0.089 20 0 GBADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1=O ZINC000636896142 1073587779 /nfs/dbraw/zinc/58/77/79/1073587779.db2.gz GRLUIMUHKCOHOW-QZNHQWIBSA-N 1 2 380.489 -0.089 20 0 GBADLO CN(C)c1[nH+]cc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)n1C ZINC000636903545 1073587947 /nfs/dbraw/zinc/58/79/47/1073587947.db2.gz UKFLEDJZTXBZFV-SFHVURJKSA-N 1 2 380.493 -0.099 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1CCO[C@@H](CCF)C1 ZINC000636954723 1073592335 /nfs/dbraw/zinc/59/23/35/1073592335.db2.gz AHVJINBLPFZSRJ-HNNXBMFYSA-N 1 2 387.452 -0.429 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1CCO[C@H](CCF)C1 ZINC000636954727 1073592515 /nfs/dbraw/zinc/59/25/15/1073592515.db2.gz AHVJINBLPFZSRJ-OAHLLOKOSA-N 1 2 387.452 -0.429 20 0 GBADLO CC[C@]1(O)CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000636954735 1073592570 /nfs/dbraw/zinc/59/25/70/1073592570.db2.gz AIXKWXHPQANZSW-IBGZPJMESA-N 1 2 383.489 -0.253 20 0 GBADLO CC[C@@]1(O)CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000636954736 1073592175 /nfs/dbraw/zinc/59/21/75/1073592175.db2.gz AIXKWXHPQANZSW-LJQANCHMSA-N 1 2 383.489 -0.253 20 0 GBADLO CN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CCCC[C@H]1O ZINC000636954739 1073592134 /nfs/dbraw/zinc/59/21/34/1073592134.db2.gz AMHIVUUTGOYOHA-HZPDHXFCSA-N 1 2 383.489 -0.254 20 0 GBADLO COCC1(C2CC2)CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000636954778 1073592209 /nfs/dbraw/zinc/59/22/09/1073592209.db2.gz BHNYISHSGUWKKE-UHFFFAOYSA-N 1 2 395.500 -0.131 20 0 GBADLO CCOC[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCO1 ZINC000636954826 1073592824 /nfs/dbraw/zinc/59/28/24/1073592824.db2.gz CAIUQOTXINXHMU-INIZCTEOSA-N 1 2 399.488 -0.752 20 0 GBADLO CCOC[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCO1 ZINC000636954827 1073592876 /nfs/dbraw/zinc/59/28/76/1073592876.db2.gz CAIUQOTXINXHMU-MRXNPFEDSA-N 1 2 399.488 -0.752 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000636955635 1073592679 /nfs/dbraw/zinc/59/26/79/1073592679.db2.gz FYQZSBNDOJHLMY-QFBILLFUSA-N 1 2 395.500 -0.395 20 0 GBADLO COC[C@@]1(C)CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCO1 ZINC000636955694 1073592267 /nfs/dbraw/zinc/59/22/67/1073592267.db2.gz GXRFRHJUNOYKOT-GOSISDBHSA-N 1 2 399.488 -0.752 20 0 GBADLO CCC(O)(CC)CN(C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000636956511 1073592760 /nfs/dbraw/zinc/59/27/60/1073592760.db2.gz OUJWFADQHXNMBE-UHFFFAOYSA-N 1 2 385.505 -0.007 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000636956516 1073592441 /nfs/dbraw/zinc/59/24/41/1073592441.db2.gz OVYXUDIPZZGIQI-CVEARBPZSA-N 1 2 381.473 -0.332 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000636956517 1073592370 /nfs/dbraw/zinc/59/23/70/1073592370.db2.gz OVYXUDIPZZGIQI-HOTGVXAUSA-N 1 2 381.473 -0.332 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000636956518 1073592225 /nfs/dbraw/zinc/59/22/25/1073592225.db2.gz OVYXUDIPZZGIQI-HZPDHXFCSA-N 1 2 381.473 -0.332 20 0 GBADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000636956519 1073592505 /nfs/dbraw/zinc/59/25/05/1073592505.db2.gz OVYXUDIPZZGIQI-JKSUJKDBSA-N 1 2 381.473 -0.332 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000637032258 1073604646 /nfs/dbraw/zinc/60/46/46/1073604646.db2.gz WZLFFXOPSNTHEF-KUHUBIRLSA-N 1 2 380.489 -0.088 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000637032258 1073604635 /nfs/dbraw/zinc/60/46/35/1073604635.db2.gz WZLFFXOPSNTHEF-KUHUBIRLSA-N 1 2 380.489 -0.088 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000637032259 1073604339 /nfs/dbraw/zinc/60/43/39/1073604339.db2.gz WZLFFXOPSNTHEF-LIRRHRJNSA-N 1 2 380.489 -0.088 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000637032259 1073604333 /nfs/dbraw/zinc/60/43/33/1073604333.db2.gz WZLFFXOPSNTHEF-LIRRHRJNSA-N 1 2 380.489 -0.088 20 0 GBADLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C(=O)NC[C@@H]2COCCN2C)cc1 ZINC000637070114 1073607099 /nfs/dbraw/zinc/60/70/99/1073607099.db2.gz JRTBSHSVAXDTAI-DLBZAZTESA-N 1 2 390.484 -0.168 20 0 GBADLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C(=O)NC[C@@H]2COCCN2C)cc1 ZINC000637070114 1073607095 /nfs/dbraw/zinc/60/70/95/1073607095.db2.gz JRTBSHSVAXDTAI-DLBZAZTESA-N 1 2 390.484 -0.168 20 0 GBADLO O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000637074455 1073607709 /nfs/dbraw/zinc/60/77/09/1073607709.db2.gz DBHAAQFTBRGSMT-ZDUSSCGKSA-N 1 2 384.444 -0.874 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1(N2CCOCC2)CC1 ZINC000637092266 1073610698 /nfs/dbraw/zinc/61/06/98/1073610698.db2.gz ZUSUSBUGUDTPKC-IBGZPJMESA-N 1 2 382.505 -0.234 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1(N2CCOCC2)CC1 ZINC000637092266 1073610695 /nfs/dbraw/zinc/61/06/95/1073610695.db2.gz ZUSUSBUGUDTPKC-IBGZPJMESA-N 1 2 382.505 -0.234 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1(N2CCOCC2)CC1 ZINC000637092267 1073610859 /nfs/dbraw/zinc/61/08/59/1073610859.db2.gz ZUSUSBUGUDTPKC-LJQANCHMSA-N 1 2 382.505 -0.234 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1(N2CCOCC2)CC1 ZINC000637092267 1073610855 /nfs/dbraw/zinc/61/08/55/1073610855.db2.gz ZUSUSBUGUDTPKC-LJQANCHMSA-N 1 2 382.505 -0.234 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000637249139 1073649782 /nfs/dbraw/zinc/64/97/82/1073649782.db2.gz HQSZDNUZTWICST-BBWFWOEESA-N 1 2 383.489 -0.398 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000637249140 1073649645 /nfs/dbraw/zinc/64/96/45/1073649645.db2.gz HQSZDNUZTWICST-GVDBMIGSSA-N 1 2 383.489 -0.398 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000637249141 1073649418 /nfs/dbraw/zinc/64/94/18/1073649418.db2.gz HQSZDNUZTWICST-ULQDDVLXSA-N 1 2 383.489 -0.398 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000637249142 1073649722 /nfs/dbraw/zinc/64/97/22/1073649722.db2.gz HQSZDNUZTWICST-YESZJQIVSA-N 1 2 383.489 -0.398 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000637269847 530198071 /nfs/dbraw/zinc/19/80/71/530198071.db2.gz RRUVULWUBNHPEM-KBPBESRZSA-N 1 2 375.491 -0.305 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000637269849 530197826 /nfs/dbraw/zinc/19/78/26/530197826.db2.gz RRUVULWUBNHPEM-KGLIPLIRSA-N 1 2 375.491 -0.305 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000637269851 530197776 /nfs/dbraw/zinc/19/77/76/530197776.db2.gz RRUVULWUBNHPEM-UONOGXRCSA-N 1 2 375.491 -0.305 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000637269854 530197987 /nfs/dbraw/zinc/19/79/87/530197987.db2.gz RRUVULWUBNHPEM-ZIAGYGMSSA-N 1 2 375.491 -0.305 20 0 GBADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000637396821 1073666009 /nfs/dbraw/zinc/66/60/09/1073666009.db2.gz SNIDGSFTXVVSAW-KFWWJZLASA-N 1 2 386.460 -0.135 20 0 GBADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000637396821 1073666001 /nfs/dbraw/zinc/66/60/01/1073666001.db2.gz SNIDGSFTXVVSAW-KFWWJZLASA-N 1 2 386.460 -0.135 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637445113 530199008 /nfs/dbraw/zinc/19/90/08/530199008.db2.gz WJBCIJFFTYVYSF-AWEZNQCLSA-N 1 2 378.495 -0.990 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637445113 530199004 /nfs/dbraw/zinc/19/90/04/530199004.db2.gz WJBCIJFFTYVYSF-AWEZNQCLSA-N 1 2 378.495 -0.990 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637445119 530199304 /nfs/dbraw/zinc/19/93/04/530199304.db2.gz WJBCIJFFTYVYSF-CQSZACIVSA-N 1 2 378.495 -0.990 20 0 GBADLO COCCCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637445119 530199301 /nfs/dbraw/zinc/19/93/01/530199301.db2.gz WJBCIJFFTYVYSF-CQSZACIVSA-N 1 2 378.495 -0.990 20 0 GBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CC[NH2+]CC1=O ZINC000637876879 1072586288 /nfs/dbraw/zinc/58/62/88/1072586288.db2.gz NCUKKIJIQYLUOD-CYBMUJFWSA-N 1 2 398.460 -0.521 20 0 GBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CC[NH2+]CC1=O ZINC000637876883 1072585806 /nfs/dbraw/zinc/58/58/06/1072585806.db2.gz NCUKKIJIQYLUOD-ZDUSSCGKSA-N 1 2 398.460 -0.521 20 0 GBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000637885265 1072587996 /nfs/dbraw/zinc/58/79/96/1072587996.db2.gz JUKZVVJPRVWHHS-HNNXBMFYSA-N 1 2 394.497 -0.519 20 0 GBADLO C[C@@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH2+]CC1=O ZINC000637934342 1072611317 /nfs/dbraw/zinc/61/13/17/1072611317.db2.gz AKSBCTMFTZNSIU-AWEZNQCLSA-N 1 2 394.497 -0.092 20 0 GBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)N1CC[NH2+]CC1=O ZINC000637940739 1072612827 /nfs/dbraw/zinc/61/28/27/1072612827.db2.gz HHZXBKRFWNSVMB-QWHCGFSZSA-N 1 2 382.486 -0.066 20 0 GBADLO C[C@H](C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH2+]CC1=O ZINC000637948799 1072616832 /nfs/dbraw/zinc/61/68/32/1072616832.db2.gz RYZKACPMLGUJNJ-OAHLLOKOSA-N 1 2 394.497 -0.270 20 0 GBADLO C[C@H](C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)N1CC[NH2+]CC1=O ZINC000637992736 1072636487 /nfs/dbraw/zinc/63/64/87/1072636487.db2.gz LJYSLKHNGYOVHF-SJLPKXTDSA-N 1 2 399.495 -0.244 20 0 GBADLO C[C@@H](C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)N1CC[NH2+]CC1=O ZINC000637992737 1072636575 /nfs/dbraw/zinc/63/65/75/1072636575.db2.gz LJYSLKHNGYOVHF-WMZOPIPTSA-N 1 2 399.495 -0.244 20 0 GBADLO CC(=O)N1CCN(c2ccccc2CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638094429 1072691288 /nfs/dbraw/zinc/69/12/88/1072691288.db2.gz RSLKYEOSPIZQRX-HNNXBMFYSA-N 1 2 387.484 -0.208 20 0 GBADLO C[C@@H](C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1)N1CC[NH2+]CC1=O ZINC000638097891 1072692805 /nfs/dbraw/zinc/69/28/05/1072692805.db2.gz IPOOQJWJWYELPJ-IKGGRYGDSA-N 1 2 393.532 -0.354 20 0 GBADLO C[C@@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1)N1CC[NH2+]CC1=O ZINC000638097894 1072692760 /nfs/dbraw/zinc/69/27/60/1072692760.db2.gz IPOOQJWJWYELPJ-IXDOHACOSA-N 1 2 393.532 -0.354 20 0 GBADLO CC[C@H](C)[C@@H](C[NH+]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)OC ZINC000638100941 530249909 /nfs/dbraw/zinc/24/99/09/530249909.db2.gz BPISHAFGALCFLJ-ARFHVFGLSA-N 1 2 375.535 -0.032 20 0 GBADLO CC[C@H](C)[C@@H](C[NH+]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)OC ZINC000638100942 530249822 /nfs/dbraw/zinc/24/98/22/530249822.db2.gz BPISHAFGALCFLJ-HRCADAONSA-N 1 2 375.535 -0.032 20 0 GBADLO CC[C@H](C)[C@H](C[NH+]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)OC ZINC000638100943 530249986 /nfs/dbraw/zinc/24/99/86/530249986.db2.gz BPISHAFGALCFLJ-JYJNAYRXSA-N 1 2 375.535 -0.032 20 0 GBADLO CC[C@H](C)[C@H](C[NH+]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)OC ZINC000638100944 530249970 /nfs/dbraw/zinc/24/99/70/530249970.db2.gz BPISHAFGALCFLJ-XHSDSOJGSA-N 1 2 375.535 -0.032 20 0 GBADLO CO[C@@H](CC(C)C)C[NH+]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000638103459 530249907 /nfs/dbraw/zinc/24/99/07/530249907.db2.gz OOCCJRQZNZOBSP-CVEARBPZSA-N 1 2 375.535 -0.032 20 0 GBADLO CO[C@@H](CC(C)C)C[NH+]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000638103460 530249934 /nfs/dbraw/zinc/24/99/34/530249934.db2.gz OOCCJRQZNZOBSP-HOTGVXAUSA-N 1 2 375.535 -0.032 20 0 GBADLO CO[C@H](CC(C)C)C[NH+]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000638103461 530249919 /nfs/dbraw/zinc/24/99/19/530249919.db2.gz OOCCJRQZNZOBSP-HZPDHXFCSA-N 1 2 375.535 -0.032 20 0 GBADLO CO[C@H](CC(C)C)C[NH+]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000638103462 530250115 /nfs/dbraw/zinc/25/01/15/530250115.db2.gz OOCCJRQZNZOBSP-JKSUJKDBSA-N 1 2 375.535 -0.032 20 0 GBADLO C[C@H](C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)N1CC[NH2+]CC1=O ZINC000638302975 1072764900 /nfs/dbraw/zinc/76/49/00/1072764900.db2.gz MZVGOSVPFHQJHP-HIFRSBDPSA-N 1 2 386.518 -0.340 20 0 GBADLO C[C@@H](C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1)N1CC[NH2+]CC1=O ZINC000638466211 1072861446 /nfs/dbraw/zinc/86/14/46/1072861446.db2.gz XTOBXAVUXXWCIP-XJKSGUPXSA-N 1 2 395.481 -0.190 20 0 GBADLO Cc1ncc(CNC(=O)CC[NH+]2CCN(S(=O)(=O)N(C)C)CC2)s1 ZINC000639448886 530295283 /nfs/dbraw/zinc/29/52/83/530295283.db2.gz PLWPUVBSKAIUSU-UHFFFAOYSA-N 1 2 375.520 -0.118 20 0 GBADLO CCCNC(=O)C[N@@H+](CCC)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639453883 530295419 /nfs/dbraw/zinc/29/54/19/530295419.db2.gz CGOIVGPCZAGHHK-UHFFFAOYSA-N 1 2 376.523 -0.235 20 0 GBADLO CCCNC(=O)C[N@H+](CCC)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639453883 530295417 /nfs/dbraw/zinc/29/54/17/530295417.db2.gz CGOIVGPCZAGHHK-UHFFFAOYSA-N 1 2 376.523 -0.235 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)CC1 ZINC000639483672 530296422 /nfs/dbraw/zinc/29/64/22/530296422.db2.gz UYRVSAQOLBFXLO-AAEUAGOBSA-N 1 2 387.424 -0.086 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)CC1 ZINC000639483672 530296421 /nfs/dbraw/zinc/29/64/21/530296421.db2.gz UYRVSAQOLBFXLO-AAEUAGOBSA-N 1 2 387.424 -0.086 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000639483698 530296756 /nfs/dbraw/zinc/29/67/56/530296756.db2.gz UYRVSAQOLBFXLO-DGCLKSJQSA-N 1 2 387.424 -0.086 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000639483698 530296754 /nfs/dbraw/zinc/29/67/54/530296754.db2.gz UYRVSAQOLBFXLO-DGCLKSJQSA-N 1 2 387.424 -0.086 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000639483699 530296729 /nfs/dbraw/zinc/29/67/29/530296729.db2.gz UYRVSAQOLBFXLO-WCQYABFASA-N 1 2 387.424 -0.086 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000639483699 530296728 /nfs/dbraw/zinc/29/67/28/530296728.db2.gz UYRVSAQOLBFXLO-WCQYABFASA-N 1 2 387.424 -0.086 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)CC1 ZINC000639483710 530296573 /nfs/dbraw/zinc/29/65/73/530296573.db2.gz UYRVSAQOLBFXLO-YPMHNXCESA-N 1 2 387.424 -0.086 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)CC1 ZINC000639483710 530296570 /nfs/dbraw/zinc/29/65/70/530296570.db2.gz UYRVSAQOLBFXLO-YPMHNXCESA-N 1 2 387.424 -0.086 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000639519699 530296940 /nfs/dbraw/zinc/29/69/40/530296940.db2.gz MYOBQMYWDWYMRB-HNNXBMFYSA-N 1 2 380.507 -0.737 20 0 GBADLO COCCCS(=O)(=O)N1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000639519700 530297303 /nfs/dbraw/zinc/29/73/03/530297303.db2.gz MYOBQMYWDWYMRB-OAHLLOKOSA-N 1 2 380.507 -0.737 20 0 GBADLO CC[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H](O)C(F)(F)F ZINC000639594971 530299296 /nfs/dbraw/zinc/29/92/96/530299296.db2.gz CVIGPPDGVNCZTE-LLVKDONJSA-N 1 2 375.413 -0.228 20 0 GBADLO CC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H](O)C(F)(F)F ZINC000639594971 530299294 /nfs/dbraw/zinc/29/92/94/530299294.db2.gz CVIGPPDGVNCZTE-LLVKDONJSA-N 1 2 375.413 -0.228 20 0 GBADLO CC[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@H](O)C(F)(F)F ZINC000639594972 530299491 /nfs/dbraw/zinc/29/94/91/530299491.db2.gz CVIGPPDGVNCZTE-NSHDSACASA-N 1 2 375.413 -0.228 20 0 GBADLO CC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@H](O)C(F)(F)F ZINC000639594972 530299489 /nfs/dbraw/zinc/29/94/89/530299489.db2.gz CVIGPPDGVNCZTE-NSHDSACASA-N 1 2 375.413 -0.228 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639595533 530299279 /nfs/dbraw/zinc/29/92/79/530299279.db2.gz KAVLONUTZSETSI-GFCCVEGCSA-N 1 2 376.523 -0.238 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639595533 530299277 /nfs/dbraw/zinc/29/92/77/530299277.db2.gz KAVLONUTZSETSI-GFCCVEGCSA-N 1 2 376.523 -0.238 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639595534 530299429 /nfs/dbraw/zinc/29/94/29/530299429.db2.gz KAVLONUTZSETSI-LBPRGKRZSA-N 1 2 376.523 -0.238 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639595534 530299428 /nfs/dbraw/zinc/29/94/28/530299428.db2.gz KAVLONUTZSETSI-LBPRGKRZSA-N 1 2 376.523 -0.238 20 0 GBADLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H](C)O2 ZINC000639617215 1073500509 /nfs/dbraw/zinc/50/05/09/1073500509.db2.gz JYEMPABGINFCFO-JKIFEVAISA-N 1 2 389.518 -0.205 20 0 GBADLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H](C)O2 ZINC000639617215 1073500496 /nfs/dbraw/zinc/50/04/96/1073500496.db2.gz JYEMPABGINFCFO-JKIFEVAISA-N 1 2 389.518 -0.205 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)CC1 ZINC000639684707 530299621 /nfs/dbraw/zinc/29/96/21/530299621.db2.gz JTWYYELENOECHP-ZDUSSCGKSA-N 1 2 380.461 -0.448 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)CC1 ZINC000639684707 530299620 /nfs/dbraw/zinc/29/96/20/530299620.db2.gz JTWYYELENOECHP-ZDUSSCGKSA-N 1 2 380.461 -0.448 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000639692728 530299948 /nfs/dbraw/zinc/29/99/48/530299948.db2.gz HIQAANQGOSKZPH-HNNXBMFYSA-N 1 2 377.532 -0.266 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000639692728 530299945 /nfs/dbraw/zinc/29/99/45/530299945.db2.gz HIQAANQGOSKZPH-HNNXBMFYSA-N 1 2 377.532 -0.266 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCO[C@]3(CCSC3)C2)CC1 ZINC000639692730 530299898 /nfs/dbraw/zinc/29/98/98/530299898.db2.gz HIQAANQGOSKZPH-OAHLLOKOSA-N 1 2 377.532 -0.266 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCO[C@]3(CCSC3)C2)CC1 ZINC000639692730 530299895 /nfs/dbraw/zinc/29/98/95/530299895.db2.gz HIQAANQGOSKZPH-OAHLLOKOSA-N 1 2 377.532 -0.266 20 0 GBADLO NS(=O)(=O)c1ccc(OCC[NH+]2CCN(CC(F)(F)CO)CC2)cc1 ZINC000639739071 530299758 /nfs/dbraw/zinc/29/97/58/530299758.db2.gz RVHILYIXUOZRGO-UHFFFAOYSA-N 1 2 379.429 -0.042 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1nn(C)cc1Br ZINC000640310566 530170356 /nfs/dbraw/zinc/17/03/56/530170356.db2.gz AFKOXHZVZJXTJV-JTQLQIEISA-N 1 2 376.255 0.339 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1nn(C)cc1Br ZINC000640310568 530170547 /nfs/dbraw/zinc/17/05/47/530170547.db2.gz AFKOXHZVZJXTJV-SNVBAGLBSA-N 1 2 376.255 0.339 20 0 GBADLO Cn1cc(Br)c(NC(=O)N(CCO)CC[NH+]2CCOCC2)n1 ZINC000640311318 530178886 /nfs/dbraw/zinc/17/88/86/530178886.db2.gz MADGZNNPNJTYMY-UHFFFAOYSA-N 1 2 376.255 0.341 20 0 GBADLO CCN(C(=O)Cn1cc(C[NH+]2CCSCC2)nn1)[C@H]1CCS(=O)(=O)C1 ZINC000640807627 530412123 /nfs/dbraw/zinc/41/21/23/530412123.db2.gz NHHFGSPMUXJBDZ-AWEZNQCLSA-N 1 2 387.531 -0.138 20 0 GBADLO CCN(C(=O)Cn1cc(C[NH+]2CCSCC2)nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000640807633 530412157 /nfs/dbraw/zinc/41/21/57/530412157.db2.gz NHHFGSPMUXJBDZ-CQSZACIVSA-N 1 2 387.531 -0.138 20 0 GBADLO O=S(=O)(c1cnn2cc(Br)cnc12)N1CC[NH+](CCO)CC1 ZINC000641260444 530419273 /nfs/dbraw/zinc/41/92/73/530419273.db2.gz OCRVQMMLCWOOGG-UHFFFAOYSA-N 1 2 390.263 -0.210 20 0 GBADLO COC[C@@H](CS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)OC ZINC000641268725 530419369 /nfs/dbraw/zinc/41/93/69/530419369.db2.gz LOZCJYYBWXFIJG-HNNXBMFYSA-N 1 2 377.507 -0.392 20 0 GBADLO COC[C@@H](CS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)OC ZINC000641268725 530419368 /nfs/dbraw/zinc/41/93/68/530419368.db2.gz LOZCJYYBWXFIJG-HNNXBMFYSA-N 1 2 377.507 -0.392 20 0 GBADLO COC[C@H](CS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)OC ZINC000641268727 530419348 /nfs/dbraw/zinc/41/93/48/530419348.db2.gz LOZCJYYBWXFIJG-OAHLLOKOSA-N 1 2 377.507 -0.392 20 0 GBADLO COC[C@H](CS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)OC ZINC000641268727 530419346 /nfs/dbraw/zinc/41/93/46/530419346.db2.gz LOZCJYYBWXFIJG-OAHLLOKOSA-N 1 2 377.507 -0.392 20 0 GBADLO COCC(COC)S(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000641269790 530419642 /nfs/dbraw/zinc/41/96/42/530419642.db2.gz XLIQILVHSOFCBO-UHFFFAOYSA-N 1 2 377.507 -0.392 20 0 GBADLO COCC(COC)S(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000641269790 530419639 /nfs/dbraw/zinc/41/96/39/530419639.db2.gz XLIQILVHSOFCBO-UHFFFAOYSA-N 1 2 377.507 -0.392 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)C(COC)COC)CC1 ZINC000641270071 530419807 /nfs/dbraw/zinc/41/98/07/530419807.db2.gz ACJBHQZQXBBBIJ-UHFFFAOYSA-N 1 2 379.523 -0.146 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)C(COC)COC)CC1 ZINC000641270071 530419805 /nfs/dbraw/zinc/41/98/05/530419805.db2.gz ACJBHQZQXBBBIJ-UHFFFAOYSA-N 1 2 379.523 -0.146 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@H](COC)OC)CC1 ZINC000641271574 530419569 /nfs/dbraw/zinc/41/95/69/530419569.db2.gz TWSTUWRQWZHEDT-HNNXBMFYSA-N 1 2 379.523 -0.146 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@H](COC)OC)CC1 ZINC000641271574 530419566 /nfs/dbraw/zinc/41/95/66/530419566.db2.gz TWSTUWRQWZHEDT-HNNXBMFYSA-N 1 2 379.523 -0.146 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@@H](COC)OC)CC1 ZINC000641271575 530419723 /nfs/dbraw/zinc/41/97/23/530419723.db2.gz TWSTUWRQWZHEDT-OAHLLOKOSA-N 1 2 379.523 -0.146 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@@H](COC)OC)CC1 ZINC000641271575 530419722 /nfs/dbraw/zinc/41/97/22/530419722.db2.gz TWSTUWRQWZHEDT-OAHLLOKOSA-N 1 2 379.523 -0.146 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@@H]2COc3ccccc3O2)CC1 ZINC000641272458 1072827644 /nfs/dbraw/zinc/82/76/44/1072827644.db2.gz BGJCIIYFBOVSPM-AWEZNQCLSA-N 1 2 383.470 -0.044 20 0 GBADLO CNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000641478254 530423845 /nfs/dbraw/zinc/42/38/45/530423845.db2.gz HGZBURHODBCPRM-UHFFFAOYSA-N 1 2 388.515 -0.555 20 0 GBADLO CNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000641478254 530423842 /nfs/dbraw/zinc/42/38/42/530423842.db2.gz HGZBURHODBCPRM-UHFFFAOYSA-N 1 2 388.515 -0.555 20 0 GBADLO CN(C)S(=O)(=O)NCCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641491914 530423964 /nfs/dbraw/zinc/42/39/64/530423964.db2.gz VOSAIVPISSVIPQ-UHFFFAOYSA-N 1 2 376.504 -0.651 20 0 GBADLO CN(C)S(=O)(=O)NCCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641491914 530423962 /nfs/dbraw/zinc/42/39/62/530423962.db2.gz VOSAIVPISSVIPQ-UHFFFAOYSA-N 1 2 376.504 -0.651 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)C[C@H](COC)OC)CC1 ZINC000641562828 530424920 /nfs/dbraw/zinc/42/49/20/530424920.db2.gz GOGFZWQRBZDAHL-HNNXBMFYSA-N 1 2 379.523 -0.100 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)C[C@@H](COC)OC)CC1 ZINC000641562829 530424904 /nfs/dbraw/zinc/42/49/04/530424904.db2.gz GOGFZWQRBZDAHL-OAHLLOKOSA-N 1 2 379.523 -0.100 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)C(COC)COC)CC1 ZINC000641563684 530424917 /nfs/dbraw/zinc/42/49/17/530424917.db2.gz PPFAGYDTYCGTSZ-UHFFFAOYSA-N 1 2 379.523 -0.100 20 0 GBADLO C[N@H+]1CCN(S(=O)(=O)c2cnn3cc(Br)cnc23)[C@H](CO)C1 ZINC000641621368 530425285 /nfs/dbraw/zinc/42/52/85/530425285.db2.gz PEASQOSVGPTWHK-JTQLQIEISA-N 1 2 390.263 -0.211 20 0 GBADLO C[N@@H+]1CCN(S(=O)(=O)c2cnn3cc(Br)cnc23)[C@H](CO)C1 ZINC000641621368 530425283 /nfs/dbraw/zinc/42/52/83/530425283.db2.gz PEASQOSVGPTWHK-JTQLQIEISA-N 1 2 390.263 -0.211 20 0 GBADLO C[N@H+]1CCN(S(=O)(=O)c2cnn3cc(Br)cnc23)[C@@H](CO)C1 ZINC000641621369 530425336 /nfs/dbraw/zinc/42/53/36/530425336.db2.gz PEASQOSVGPTWHK-SNVBAGLBSA-N 1 2 390.263 -0.211 20 0 GBADLO C[N@@H+]1CCN(S(=O)(=O)c2cnn3cc(Br)cnc23)[C@@H](CO)C1 ZINC000641621369 530425333 /nfs/dbraw/zinc/42/53/33/530425333.db2.gz PEASQOSVGPTWHK-SNVBAGLBSA-N 1 2 390.263 -0.211 20 0 GBADLO CNC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CCO1 ZINC000641627296 1073250010 /nfs/dbraw/zinc/25/00/10/1073250010.db2.gz MDHZHVUUSPXCPQ-AWEZNQCLSA-N 1 2 382.486 -0.007 20 0 GBADLO CNC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CCO1 ZINC000641627296 1073250005 /nfs/dbraw/zinc/25/00/05/1073250005.db2.gz MDHZHVUUSPXCPQ-AWEZNQCLSA-N 1 2 382.486 -0.007 20 0 GBADLO CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000641636607 530426115 /nfs/dbraw/zinc/42/61/15/530426115.db2.gz SIEZYTNVXXPQGO-UHFFFAOYSA-N 1 2 388.515 -0.557 20 0 GBADLO CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000641636607 530426112 /nfs/dbraw/zinc/42/61/12/530426112.db2.gz SIEZYTNVXXPQGO-UHFFFAOYSA-N 1 2 388.515 -0.557 20 0 GBADLO CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666864 530427234 /nfs/dbraw/zinc/42/72/34/530427234.db2.gz MERYJRIXRGTZRM-INIZCTEOSA-N 1 2 375.535 -0.030 20 0 GBADLO CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641666864 530427232 /nfs/dbraw/zinc/42/72/32/530427232.db2.gz MERYJRIXRGTZRM-INIZCTEOSA-N 1 2 375.535 -0.030 20 0 GBADLO CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641666865 530427088 /nfs/dbraw/zinc/42/70/88/530427088.db2.gz MERYJRIXRGTZRM-MRXNPFEDSA-N 1 2 375.535 -0.030 20 0 GBADLO CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641666865 530427087 /nfs/dbraw/zinc/42/70/87/530427087.db2.gz MERYJRIXRGTZRM-MRXNPFEDSA-N 1 2 375.535 -0.030 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641696344 530428291 /nfs/dbraw/zinc/42/82/91/530428291.db2.gz QGEKETWYQDSXTD-HNNXBMFYSA-N 1 2 397.563 -0.863 20 0 GBADLO CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641696349 530428400 /nfs/dbraw/zinc/42/84/00/530428400.db2.gz QGEKETWYQDSXTD-OAHLLOKOSA-N 1 2 397.563 -0.863 20 0 GBADLO O=c1[nH]cc(S(=O)(=O)N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641697226 530428523 /nfs/dbraw/zinc/42/85/23/530428523.db2.gz BIIXELMTOYJISL-GFCCVEGCSA-N 1 2 376.504 -0.076 20 0 GBADLO O=c1[nH]cc(S(=O)(=O)N[C@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641697227 530428269 /nfs/dbraw/zinc/42/82/69/530428269.db2.gz BIIXELMTOYJISL-LBPRGKRZSA-N 1 2 376.504 -0.076 20 0 GBADLO O=S(=O)(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCCOCC1 ZINC000641697613 530428310 /nfs/dbraw/zinc/42/83/10/530428310.db2.gz IMPIPRITPUMQPK-INIZCTEOSA-N 1 2 376.523 -0.660 20 0 GBADLO O=S(=O)(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)N1CCCOCC1 ZINC000641697614 530428445 /nfs/dbraw/zinc/42/84/45/530428445.db2.gz IMPIPRITPUMQPK-MRXNPFEDSA-N 1 2 376.523 -0.660 20 0 GBADLO CS(=O)(=O)CCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641791292 530429840 /nfs/dbraw/zinc/42/98/40/530429840.db2.gz GHXAUOZQWYSIJC-HNNXBMFYSA-N 1 2 376.523 -0.483 20 0 GBADLO CS(=O)(=O)CCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641791292 530429838 /nfs/dbraw/zinc/42/98/38/530429838.db2.gz GHXAUOZQWYSIJC-HNNXBMFYSA-N 1 2 376.523 -0.483 20 0 GBADLO CS(=O)(=O)CCCNC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641791292 530429836 /nfs/dbraw/zinc/42/98/36/530429836.db2.gz GHXAUOZQWYSIJC-HNNXBMFYSA-N 1 2 376.523 -0.483 20 0 GBADLO CS(=O)(=O)CCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641791302 530429577 /nfs/dbraw/zinc/42/95/77/530429577.db2.gz GHXAUOZQWYSIJC-OAHLLOKOSA-N 1 2 376.523 -0.483 20 0 GBADLO CS(=O)(=O)CCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641791302 530429576 /nfs/dbraw/zinc/42/95/76/530429576.db2.gz GHXAUOZQWYSIJC-OAHLLOKOSA-N 1 2 376.523 -0.483 20 0 GBADLO CS(=O)(=O)CCCNC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641791302 530429574 /nfs/dbraw/zinc/42/95/74/530429574.db2.gz GHXAUOZQWYSIJC-OAHLLOKOSA-N 1 2 376.523 -0.483 20 0 GBADLO C[C@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641793977 530429583 /nfs/dbraw/zinc/42/95/83/530429583.db2.gz INJDLAOIAJPKEC-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641793977 530429582 /nfs/dbraw/zinc/42/95/82/530429582.db2.gz INJDLAOIAJPKEC-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641793977 530429580 /nfs/dbraw/zinc/42/95/80/530429580.db2.gz INJDLAOIAJPKEC-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641793978 530430229 /nfs/dbraw/zinc/43/02/29/530430229.db2.gz INJDLAOIAJPKEC-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641793978 530430228 /nfs/dbraw/zinc/43/02/28/530430228.db2.gz INJDLAOIAJPKEC-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641793978 530430227 /nfs/dbraw/zinc/43/02/27/530430227.db2.gz INJDLAOIAJPKEC-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CS(C)(=O)=O)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641793979 530430109 /nfs/dbraw/zinc/43/01/09/530430109.db2.gz INJDLAOIAJPKEC-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CS(C)(=O)=O)NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641793979 530430107 /nfs/dbraw/zinc/43/01/07/530430107.db2.gz INJDLAOIAJPKEC-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CS(C)(=O)=O)NC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641793979 530430104 /nfs/dbraw/zinc/43/01/04/530430104.db2.gz INJDLAOIAJPKEC-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CS(C)(=O)=O)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641793980 530430285 /nfs/dbraw/zinc/43/02/85/530430285.db2.gz INJDLAOIAJPKEC-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CS(C)(=O)=O)NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641793980 530430283 /nfs/dbraw/zinc/43/02/83/530430283.db2.gz INJDLAOIAJPKEC-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CS(C)(=O)=O)NC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641793980 530430282 /nfs/dbraw/zinc/43/02/82/530430282.db2.gz INJDLAOIAJPKEC-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000641814072 530429978 /nfs/dbraw/zinc/42/99/78/530429978.db2.gz IAOXGYGBZZUNPY-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000641814072 530429977 /nfs/dbraw/zinc/42/99/77/530429977.db2.gz IAOXGYGBZZUNPY-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CNC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000641814072 530429975 /nfs/dbraw/zinc/42/99/75/530429975.db2.gz IAOXGYGBZZUNPY-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000641814073 530430128 /nfs/dbraw/zinc/43/01/28/530430128.db2.gz IAOXGYGBZZUNPY-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000641814073 530430126 /nfs/dbraw/zinc/43/01/26/530430126.db2.gz IAOXGYGBZZUNPY-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CNC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000641814073 530430124 /nfs/dbraw/zinc/43/01/24/530430124.db2.gz IAOXGYGBZZUNPY-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000641814074 530430276 /nfs/dbraw/zinc/43/02/76/530430276.db2.gz IAOXGYGBZZUNPY-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000641814074 530430275 /nfs/dbraw/zinc/43/02/75/530430275.db2.gz IAOXGYGBZZUNPY-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CNC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000641814074 530430273 /nfs/dbraw/zinc/43/02/73/530430273.db2.gz IAOXGYGBZZUNPY-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000641814075 530430042 /nfs/dbraw/zinc/43/00/42/530430042.db2.gz IAOXGYGBZZUNPY-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000641814075 530430040 /nfs/dbraw/zinc/43/00/40/530430040.db2.gz IAOXGYGBZZUNPY-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CNC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000641814075 530430038 /nfs/dbraw/zinc/43/00/38/530430038.db2.gz IAOXGYGBZZUNPY-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000642082335 530439683 /nfs/dbraw/zinc/43/96/83/530439683.db2.gz XMTQCODMRNRWEK-UHFFFAOYSA-N 1 2 376.523 -0.189 20 0 GBADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000642082335 530439682 /nfs/dbraw/zinc/43/96/82/530439682.db2.gz XMTQCODMRNRWEK-UHFFFAOYSA-N 1 2 376.523 -0.189 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000642097168 530440117 /nfs/dbraw/zinc/44/01/17/530440117.db2.gz PURYCFPKRYUEQM-UHFFFAOYSA-N 1 2 392.503 -0.863 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000642275865 530463208 /nfs/dbraw/zinc/46/32/08/530463208.db2.gz KNTONQBVODORCU-HIFRSBDPSA-N 1 2 377.532 -0.266 20 0 GBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000642275866 530463222 /nfs/dbraw/zinc/46/32/22/530463222.db2.gz KNTONQBVODORCU-ZFWWWQNUSA-N 1 2 377.532 -0.266 20 0 GBADLO COc1c(F)cc(CC(=O)NCC[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000642577769 530108396 /nfs/dbraw/zinc/10/83/96/530108396.db2.gz TUKMKKPBDTWYGM-UHFFFAOYSA-N 1 2 375.422 -0.527 20 0 GBADLO CCCNC(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000642800118 1072575364 /nfs/dbraw/zinc/57/53/64/1072575364.db2.gz NLCYPURKUXXRKN-UHFFFAOYSA-N 1 2 389.456 -0.345 20 0 GBADLO CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000642804240 1072591956 /nfs/dbraw/zinc/59/19/56/1072591956.db2.gz PPQWEXYWCVEKMJ-ZDUSSCGKSA-N 1 2 389.456 -0.347 20 0 GBADLO O=C(Cn1cnnn1)N1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000642956759 1072930173 /nfs/dbraw/zinc/93/01/73/1072930173.db2.gz DDWVWGKIRCVRSH-UHFFFAOYSA-N 1 2 387.448 -0.698 20 0 GBADLO COCCOCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000643074790 1073141659 /nfs/dbraw/zinc/14/16/59/1073141659.db2.gz AMGBOQOVZFXKMS-UHFFFAOYSA-N 1 2 392.456 -0.208 20 0 GBADLO O=C(c1csc(S(=O)(=O)N2CCOCC2)c1)N1CC[NH+](CCO)CC1 ZINC000643127316 530142034 /nfs/dbraw/zinc/14/20/34/530142034.db2.gz GKSIRNAZFGIYAG-UHFFFAOYSA-N 1 2 389.499 -0.481 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000643593976 530074381 /nfs/dbraw/zinc/07/43/81/530074381.db2.gz PXUBBHYWOYPXSF-CABCVRRESA-N 1 2 389.499 -0.446 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000643593977 530074220 /nfs/dbraw/zinc/07/42/20/530074220.db2.gz PXUBBHYWOYPXSF-GJZGRUSLSA-N 1 2 389.499 -0.446 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000643593978 530074312 /nfs/dbraw/zinc/07/43/12/530074312.db2.gz PXUBBHYWOYPXSF-HUUCEWRRSA-N 1 2 389.499 -0.446 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000643593979 530074483 /nfs/dbraw/zinc/07/44/83/530074483.db2.gz PXUBBHYWOYPXSF-LSDHHAIUSA-N 1 2 389.499 -0.446 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCOCC1 ZINC000644403752 530137212 /nfs/dbraw/zinc/13/72/12/530137212.db2.gz AHFLLTXDVFYRAM-AWEZNQCLSA-N 1 2 383.536 -0.606 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCOCC1 ZINC000644403754 530137427 /nfs/dbraw/zinc/13/74/27/530137427.db2.gz AHFLLTXDVFYRAM-CQSZACIVSA-N 1 2 383.536 -0.606 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714784 530139254 /nfs/dbraw/zinc/13/92/54/530139254.db2.gz IJSZHEZEDDFJDA-WDNDVIMCSA-N 1 2 388.511 -0.119 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714784 530139252 /nfs/dbraw/zinc/13/92/52/530139252.db2.gz IJSZHEZEDDFJDA-WDNDVIMCSA-N 1 2 388.511 -0.119 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000644846884 1073599377 /nfs/dbraw/zinc/59/93/77/1073599377.db2.gz KKZNLFGSNHEEJC-KFWWJZLASA-N 1 2 378.473 -0.517 20 0 GBADLO O=C(C(=O)N1CCC[C@@H](n2ccnn2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000644909699 1072280189 /nfs/dbraw/zinc/28/01/89/1072280189.db2.gz LEOHVTGGUPOGNR-CVEARBPZSA-N 1 2 376.461 -0.235 20 0 GBADLO O=C(C(=O)N1CCC[C@H](n2ccnn2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000644909702 1072280041 /nfs/dbraw/zinc/28/00/41/1072280041.db2.gz LEOHVTGGUPOGNR-HOTGVXAUSA-N 1 2 376.461 -0.235 20 0 GBADLO O=C(C(=O)N1CCC[C@@H](n2ccnn2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000644909704 1072280246 /nfs/dbraw/zinc/28/02/46/1072280246.db2.gz LEOHVTGGUPOGNR-HZPDHXFCSA-N 1 2 376.461 -0.235 20 0 GBADLO O=C(C(=O)N1CCC[C@H](n2ccnn2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000644909706 1072280151 /nfs/dbraw/zinc/28/01/51/1072280151.db2.gz LEOHVTGGUPOGNR-JKSUJKDBSA-N 1 2 376.461 -0.235 20 0 GBADLO C[C@@H](O)CC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000644925985 530207278 /nfs/dbraw/zinc/20/72/78/530207278.db2.gz BNWJYWYDBMUUEQ-GFCCVEGCSA-N 1 2 377.488 -0.589 20 0 GBADLO C[C@H](O)CC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000644925986 530207349 /nfs/dbraw/zinc/20/73/49/530207349.db2.gz BNWJYWYDBMUUEQ-LBPRGKRZSA-N 1 2 377.488 -0.589 20 0 GBADLO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000645232421 1073922156 /nfs/dbraw/zinc/92/21/56/1073922156.db2.gz XZKPKQLEZCKDRM-HOTGVXAUSA-N 1 2 379.505 -0.933 20 0 GBADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000645232422 1073921994 /nfs/dbraw/zinc/92/19/94/1073921994.db2.gz XZKPKQLEZCKDRM-HZPDHXFCSA-N 1 2 379.505 -0.933 20 0 GBADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C1 ZINC000645232423 1073922138 /nfs/dbraw/zinc/92/21/38/1073922138.db2.gz XZKPKQLEZCKDRM-IYBDPMFKSA-N 1 2 379.505 -0.933 20 0 GBADLO CO[C@@H](CS(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C1CCOCC1 ZINC000645527629 1073510820 /nfs/dbraw/zinc/51/08/20/1073510820.db2.gz OHBRAODXSXWVGN-INIZCTEOSA-N 1 2 391.534 -0.100 20 0 GBADLO CO[C@@H](CS(=O)(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C1CCOCC1 ZINC000645594202 530328233 /nfs/dbraw/zinc/32/82/33/530328233.db2.gz MKGOZFQWEIFDPN-CVEARBPZSA-N 1 2 380.507 -0.617 20 0 GBADLO CO[C@@H](CS(=O)(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C1CCOCC1 ZINC000645594205 530328127 /nfs/dbraw/zinc/32/81/27/530328127.db2.gz MKGOZFQWEIFDPN-HOTGVXAUSA-N 1 2 380.507 -0.617 20 0 GBADLO CO[C@H](CS(=O)(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C1CCOCC1 ZINC000645594207 530328334 /nfs/dbraw/zinc/32/83/34/530328334.db2.gz MKGOZFQWEIFDPN-HZPDHXFCSA-N 1 2 380.507 -0.617 20 0 GBADLO CO[C@H](CS(=O)(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C1CCOCC1 ZINC000645594210 530328365 /nfs/dbraw/zinc/32/83/65/530328365.db2.gz MKGOZFQWEIFDPN-JKSUJKDBSA-N 1 2 380.507 -0.617 20 0 GBADLO C[N@H+](CC(N)=O)C[C@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)CCO1 ZINC000645693658 1073887827 /nfs/dbraw/zinc/88/78/27/1073887827.db2.gz IIIXVTKVZJFICW-JTQLQIEISA-N 1 2 396.391 -0.093 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(S(=O)(=O)c2ncccc2C(F)(F)F)CCO1 ZINC000645693658 1073887820 /nfs/dbraw/zinc/88/78/20/1073887820.db2.gz IIIXVTKVZJFICW-JTQLQIEISA-N 1 2 396.391 -0.093 20 0 GBADLO CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000645698286 530331485 /nfs/dbraw/zinc/33/14/85/530331485.db2.gz LGDOIIOEDGZEMK-AWEZNQCLSA-N 1 2 376.429 -0.342 20 0 GBADLO CS(=O)(=O)N1CCN(CCNC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000645698289 530331510 /nfs/dbraw/zinc/33/15/10/530331510.db2.gz LGDOIIOEDGZEMK-CQSZACIVSA-N 1 2 376.429 -0.342 20 0 GBADLO C[C@@H]1SCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000645730226 530374835 /nfs/dbraw/zinc/37/48/35/530374835.db2.gz CVNOSZVDCIQUEO-KBPBESRZSA-N 1 2 391.563 -0.300 20 0 GBADLO C[C@H]1SCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000645730230 530374893 /nfs/dbraw/zinc/37/48/93/530374893.db2.gz CVNOSZVDCIQUEO-KGLIPLIRSA-N 1 2 391.563 -0.300 20 0 GBADLO C[C@@H]1SCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000645730231 530374703 /nfs/dbraw/zinc/37/47/03/530374703.db2.gz CVNOSZVDCIQUEO-UONOGXRCSA-N 1 2 391.563 -0.300 20 0 GBADLO C[C@H]1SCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000645730232 530374820 /nfs/dbraw/zinc/37/48/20/530374820.db2.gz CVNOSZVDCIQUEO-ZIAGYGMSSA-N 1 2 391.563 -0.300 20 0 GBADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000645834710 530387397 /nfs/dbraw/zinc/38/73/97/530387397.db2.gz XZUSFUBIUULHLH-GFCCVEGCSA-N 1 2 389.499 -0.169 20 0 GBADLO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000645834711 530387419 /nfs/dbraw/zinc/38/74/19/530387419.db2.gz XZUSFUBIUULHLH-LBPRGKRZSA-N 1 2 389.499 -0.169 20 0 GBADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H](CO)C[NH+](C)C)cn1 ZINC000646210831 530430047 /nfs/dbraw/zinc/43/00/47/530430047.db2.gz IOMOSWBQYOTOAJ-LLVKDONJSA-N 1 2 387.487 -0.065 20 0 GBADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N[C@H](CO)C[NH+](C)C)cn1 ZINC000646210832 530430248 /nfs/dbraw/zinc/43/02/48/530430248.db2.gz IOMOSWBQYOTOAJ-NSHDSACASA-N 1 2 387.487 -0.065 20 0 GBADLO CN(C)S(=O)(=O)NCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000646581911 530453001 /nfs/dbraw/zinc/45/30/01/530453001.db2.gz VMLPCQRAALDGEE-GFCCVEGCSA-N 1 2 376.504 -0.366 20 0 GBADLO CN(C)S(=O)(=O)NCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000646581912 530453044 /nfs/dbraw/zinc/45/30/44/530453044.db2.gz VMLPCQRAALDGEE-LBPRGKRZSA-N 1 2 376.504 -0.366 20 0 GBADLO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000646901938 1072263544 /nfs/dbraw/zinc/26/35/44/1072263544.db2.gz MSPPSEZWJPCDKW-CYBMUJFWSA-N 1 2 399.517 -0.755 20 0 GBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CN(C)C(=O)[C@H]1C ZINC000647036625 1072317718 /nfs/dbraw/zinc/31/77/18/1072317718.db2.gz NDWQEZSZHXYDFI-HUUCEWRRSA-N 1 2 388.472 -0.645 20 0 GBADLO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000647052233 1072319320 /nfs/dbraw/zinc/31/93/20/1072319320.db2.gz KOPDITXRVHEXPW-AWEZNQCLSA-N 1 2 395.485 -0.730 20 0 GBADLO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000647052234 1072319807 /nfs/dbraw/zinc/31/98/07/1072319807.db2.gz KOPDITXRVHEXPW-CQSZACIVSA-N 1 2 395.485 -0.730 20 0 GBADLO COc1ncc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1Cl ZINC000647277476 530108959 /nfs/dbraw/zinc/10/89/59/530108959.db2.gz IZAMOURZSGNNHP-UHFFFAOYSA-N 1 2 392.865 -0.530 20 0 GBADLO COc1ccc(F)cc1S(=O)(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000647277525 530108623 /nfs/dbraw/zinc/10/86/23/530108623.db2.gz OTXZODPDDXHCFW-UHFFFAOYSA-N 1 2 375.422 -0.439 20 0 GBADLO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](CO)C(=O)NC ZINC000647526570 530127245 /nfs/dbraw/zinc/12/72/45/530127245.db2.gz JLXAZUKSWRFHOJ-GFCCVEGCSA-N 1 2 392.499 -0.660 20 0 GBADLO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](CO)C(=O)NC ZINC000647526571 530126927 /nfs/dbraw/zinc/12/69/27/530126927.db2.gz JLXAZUKSWRFHOJ-LBPRGKRZSA-N 1 2 392.499 -0.660 20 0 GBADLO CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000647554677 1072995949 /nfs/dbraw/zinc/99/59/49/1072995949.db2.gz CJALZNPOOJUIFU-UHFFFAOYSA-N 1 2 395.485 -0.776 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC2(CCCC2)O1 ZINC000647561554 1072999482 /nfs/dbraw/zinc/99/94/82/1072999482.db2.gz WQMBWNQLSRFOEQ-CVEARBPZSA-N 1 2 383.489 -0.302 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC2(CCCC2)O1 ZINC000647561555 1072999536 /nfs/dbraw/zinc/99/95/36/1072999536.db2.gz WQMBWNQLSRFOEQ-HOTGVXAUSA-N 1 2 383.489 -0.302 20 0 GBADLO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCS2(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000647564402 1073000171 /nfs/dbraw/zinc/00/01/71/1073000171.db2.gz XUMJXVNFGSXQRM-CABCVRRESA-N 1 2 397.501 -0.214 20 0 GBADLO C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCS2(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000647564405 1073000696 /nfs/dbraw/zinc/00/06/96/1073000696.db2.gz XUMJXVNFGSXQRM-LSDHHAIUSA-N 1 2 397.501 -0.214 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@@H](Nc2ncccn2)C1 ZINC000647566044 1073002237 /nfs/dbraw/zinc/00/22/37/1073002237.db2.gz WGZPXOVTBMDJEK-HZPDHXFCSA-N 1 2 388.472 -0.187 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@H](Nc2ncccn2)C1 ZINC000647566045 1073001919 /nfs/dbraw/zinc/00/19/19/1073001919.db2.gz WGZPXOVTBMDJEK-JKSUJKDBSA-N 1 2 388.472 -0.187 20 0 GBADLO O=C(NCc1noc(C(F)(F)F)n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647638023 1073014344 /nfs/dbraw/zinc/01/43/44/1073014344.db2.gz FCAFAPSDRZUCQZ-SNVBAGLBSA-N 1 2 391.350 -0.115 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCn2c(nnc2C(F)F)C1 ZINC000647640818 1073015994 /nfs/dbraw/zinc/01/59/94/1073015994.db2.gz GCBMIGNKHTXOSC-GFCCVEGCSA-N 1 2 398.414 -0.261 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCn2c(nnc2C(F)F)C1 ZINC000647640819 1073016218 /nfs/dbraw/zinc/01/62/18/1073016218.db2.gz GCBMIGNKHTXOSC-LBPRGKRZSA-N 1 2 398.414 -0.261 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000647662272 530133489 /nfs/dbraw/zinc/13/34/89/530133489.db2.gz SISGHSPZTORRTI-CABCVRRESA-N 1 2 377.507 -0.610 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000647662273 530133628 /nfs/dbraw/zinc/13/36/28/530133628.db2.gz SISGHSPZTORRTI-GJZGRUSLSA-N 1 2 377.507 -0.610 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000647662274 530133604 /nfs/dbraw/zinc/13/36/04/530133604.db2.gz SISGHSPZTORRTI-HUUCEWRRSA-N 1 2 377.507 -0.610 20 0 GBADLO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000647662275 530133417 /nfs/dbraw/zinc/13/34/17/530133417.db2.gz SISGHSPZTORRTI-LSDHHAIUSA-N 1 2 377.507 -0.610 20 0 GBADLO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CS(C)(=O)=O ZINC000647712639 1073446174 /nfs/dbraw/zinc/44/61/74/1073446174.db2.gz VENTYVPQNCZTEH-UHFFFAOYSA-N 1 2 381.454 -0.283 20 0 GBADLO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CS(C)(=O)=O ZINC000647712639 1073446168 /nfs/dbraw/zinc/44/61/68/1073446168.db2.gz VENTYVPQNCZTEH-UHFFFAOYSA-N 1 2 381.454 -0.283 20 0 GBADLO O=C(CN1CCCS1(=O)=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000647765320 530200689 /nfs/dbraw/zinc/20/06/89/530200689.db2.gz LNAWWNJRWUCRLG-AWEZNQCLSA-N 1 2 377.532 -0.312 20 0 GBADLO O=C(CN1CCCS1(=O)=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000647765321 530200537 /nfs/dbraw/zinc/20/05/37/530200537.db2.gz LNAWWNJRWUCRLG-CQSZACIVSA-N 1 2 377.532 -0.312 20 0 GBADLO CN(C)S(=O)(=O)CCC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000647766901 530200645 /nfs/dbraw/zinc/20/06/45/530200645.db2.gz OWHWXWQCKXMFFT-AWEZNQCLSA-N 1 2 379.548 -0.066 20 0 GBADLO CN(C)S(=O)(=O)CCC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000647766902 530200694 /nfs/dbraw/zinc/20/06/94/530200694.db2.gz OWHWXWQCKXMFFT-CQSZACIVSA-N 1 2 379.548 -0.066 20 0 GBADLO COc1ncc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000647910484 530227029 /nfs/dbraw/zinc/22/70/29/530227029.db2.gz SXXBSSVNNVJOCX-UHFFFAOYSA-N 1 2 375.520 -0.239 20 0 GBADLO O=C(CN1CCc2[nH+]c[nH]c2C1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000647932941 1072502322 /nfs/dbraw/zinc/50/23/22/1072502322.db2.gz VZCGHUWTHIUPMK-UONOGXRCSA-N 1 2 382.486 -0.038 20 0 GBADLO O=C(CN1CCn2c[nH+]cc2C1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000647939613 1072643590 /nfs/dbraw/zinc/64/35/90/1072643590.db2.gz UPNYVGZQRZSCHI-GOEBONIOSA-N 1 2 382.486 -0.107 20 0 GBADLO O=C(CN1CCn2c[nH+]cc2C1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000647939614 1072642300 /nfs/dbraw/zinc/64/23/00/1072642300.db2.gz UPNYVGZQRZSCHI-HOCLYGCPSA-N 1 2 382.486 -0.107 20 0 GBADLO Cn1cc([C@H]([NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C2(CO)CCC2)cn1 ZINC000647942953 1072924796 /nfs/dbraw/zinc/92/47/96/1072924796.db2.gz DRVOPBIWGDTEGY-AWEZNQCLSA-N 1 2 390.444 -0.924 20 0 GBADLO Cn1cc([C@@H]([NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C2(CO)CCC2)cn1 ZINC000647942954 1072925006 /nfs/dbraw/zinc/92/50/06/1072925006.db2.gz DRVOPBIWGDTEGY-CQSZACIVSA-N 1 2 390.444 -0.924 20 0 GBADLO Cn1c(N)c(C(=O)C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c(=O)n(C)c1=O ZINC000647953994 1073024137 /nfs/dbraw/zinc/02/41/37/1073024137.db2.gz BEQOZZFRWIWOTM-CYBMUJFWSA-N 1 2 377.445 -0.915 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000648146876 530077153 /nfs/dbraw/zinc/07/71/53/530077153.db2.gz QBIJXUJWSLDYFA-LLVKDONJSA-N 1 2 384.449 -0.819 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000648146877 530077003 /nfs/dbraw/zinc/07/70/03/530077003.db2.gz QBIJXUJWSLDYFA-NSHDSACASA-N 1 2 384.449 -0.819 20 0 GBADLO Cc1ccn(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000648146919 1072248226 /nfs/dbraw/zinc/24/82/26/1072248226.db2.gz NKDKVGSLYRTTJC-UHFFFAOYSA-N 1 2 392.485 -0.145 20 0 GBADLO CCOC1CC(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)([NH+]2CCOCC2)C1 ZINC000648372333 530134803 /nfs/dbraw/zinc/13/48/03/530134803.db2.gz DDNYYJBPKWLNOH-BBBYJDLNSA-N 1 2 375.491 -0.594 20 0 GBADLO CCOC1CC(CNC(=O)[C@H]2CCN(C)S2(=O)=O)([NH+]2CCOCC2)C1 ZINC000648372334 530134759 /nfs/dbraw/zinc/13/47/59/530134759.db2.gz DDNYYJBPKWLNOH-NPCAHTBFSA-N 1 2 375.491 -0.594 20 0 GBADLO C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000649074089 530473900 /nfs/dbraw/zinc/47/39/00/530473900.db2.gz AZEVNHCBFFQLGN-CHWSQXEVSA-N 1 2 375.491 -0.453 20 0 GBADLO C[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000649074090 530474112 /nfs/dbraw/zinc/47/41/12/530474112.db2.gz AZEVNHCBFFQLGN-OLZOCXBDSA-N 1 2 375.491 -0.453 20 0 GBADLO C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)S(=O)(=O)C1CCOCC1 ZINC000649074091 530474182 /nfs/dbraw/zinc/47/41/82/530474182.db2.gz AZEVNHCBFFQLGN-QWHCGFSZSA-N 1 2 375.491 -0.453 20 0 GBADLO C[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)S(=O)(=O)C1CCOCC1 ZINC000649074092 530473918 /nfs/dbraw/zinc/47/39/18/530473918.db2.gz AZEVNHCBFFQLGN-STQMWFEESA-N 1 2 375.491 -0.453 20 0 GBADLO CNS(=O)(=O)NCC(=O)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000649313346 530487927 /nfs/dbraw/zinc/48/79/27/530487927.db2.gz HEMAXWXFIYXTEY-AWEZNQCLSA-N 1 2 390.893 -0.429 20 0 GBADLO CNS(=O)(=O)NCC(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000649313347 530487919 /nfs/dbraw/zinc/48/79/19/530487919.db2.gz HEMAXWXFIYXTEY-CQSZACIVSA-N 1 2 390.893 -0.429 20 0 GBADLO COCCN(C(=O)C[NH+]1CCC([C@H](C)CO)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000649804779 530499856 /nfs/dbraw/zinc/49/98/56/530499856.db2.gz HZALHJXSEWLPJH-GDBMZVCRSA-N 1 2 376.519 -0.011 20 0 GBADLO COCCN(C(=O)C[NH+]1CCC([C@@H](C)CO)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000649804780 530499897 /nfs/dbraw/zinc/49/98/97/530499897.db2.gz HZALHJXSEWLPJH-GOEBONIOSA-N 1 2 376.519 -0.011 20 0 GBADLO COCCN(C(=O)C[NH+]1CCC([C@@H](C)CO)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000649804781 530499851 /nfs/dbraw/zinc/49/98/51/530499851.db2.gz HZALHJXSEWLPJH-HOCLYGCPSA-N 1 2 376.519 -0.011 20 0 GBADLO COCCN(C(=O)C[NH+]1CCC([C@H](C)CO)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000649804782 530499912 /nfs/dbraw/zinc/49/99/12/530499912.db2.gz HZALHJXSEWLPJH-ZBFHGGJFSA-N 1 2 376.519 -0.011 20 0 GBADLO C[C@@H](CCO)N(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000650663487 1072411254 /nfs/dbraw/zinc/41/12/54/1072411254.db2.gz QRUMMLKEVTUKFB-HNNXBMFYSA-N 1 2 399.517 -0.054 20 0 GBADLO C[C@H](CCO)N(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000650663488 1072411224 /nfs/dbraw/zinc/41/12/24/1072411224.db2.gz QRUMMLKEVTUKFB-OAHLLOKOSA-N 1 2 399.517 -0.054 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000650674879 530108317 /nfs/dbraw/zinc/10/83/17/530108317.db2.gz BSVAMJFYQARUES-UHFFFAOYSA-N 1 2 380.511 -0.742 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000650750750 1072500835 /nfs/dbraw/zinc/50/08/35/1072500835.db2.gz KMZNEVYDVWHBRB-HNNXBMFYSA-N 1 2 392.522 -0.599 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)NCCS(=O)(=O)NC(C)C)CC1 ZINC000650788570 530112430 /nfs/dbraw/zinc/11/24/30/530112430.db2.gz NZHYKMPUYRBQEA-UHFFFAOYSA-N 1 2 380.511 -0.696 20 0 GBADLO COC[C@H]1C[C@@H](O)CN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000650803851 1072575057 /nfs/dbraw/zinc/57/50/57/1072575057.db2.gz RKBVIBBTZUUVJP-HZPDHXFCSA-N 1 2 391.472 -0.089 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000650863163 530115335 /nfs/dbraw/zinc/11/53/35/530115335.db2.gz XJAZYBCSRCRVAX-UHFFFAOYSA-N 1 2 380.511 -0.696 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000650886457 1072642831 /nfs/dbraw/zinc/64/28/31/1072642831.db2.gz QLFLIDZLZORNHR-INIZCTEOSA-N 1 2 394.476 -0.484 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000650886458 1072642731 /nfs/dbraw/zinc/64/27/31/1072642731.db2.gz QLFLIDZLZORNHR-MRXNPFEDSA-N 1 2 394.476 -0.484 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000650953215 1073008987 /nfs/dbraw/zinc/00/89/87/1073008987.db2.gz CBVBERUJIJZSMJ-KRWDZBQOSA-N 1 2 398.504 -0.244 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000650953216 1073008589 /nfs/dbraw/zinc/00/85/89/1073008589.db2.gz CBVBERUJIJZSMJ-QGZVFWFLSA-N 1 2 398.504 -0.244 20 0 GBADLO CC[C@H](NC(=O)N1CC[NH+](CCOCCOC)CC1)C(=O)N1CCOCC1 ZINC000650968463 1073049307 /nfs/dbraw/zinc/04/93/07/1073049307.db2.gz VHNWYXSNUTYRMI-INIZCTEOSA-N 1 2 386.493 -0.386 20 0 GBADLO CC[C@@H](NC(=O)N1CC[NH+](CCOCCOC)CC1)C(=O)N1CCOCC1 ZINC000650968464 1073050046 /nfs/dbraw/zinc/05/00/46/1073050046.db2.gz VHNWYXSNUTYRMI-MRXNPFEDSA-N 1 2 386.493 -0.386 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000650986601 1073080644 /nfs/dbraw/zinc/08/06/44/1073080644.db2.gz AYPLULJTBJKTDA-OAHLLOKOSA-N 1 2 392.522 -0.742 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000650987861 1073089598 /nfs/dbraw/zinc/08/95/98/1073089598.db2.gz KTZNSYSIHOZTHI-OAHLLOKOSA-N 1 2 392.522 -0.599 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC000650992586 530133497 /nfs/dbraw/zinc/13/34/97/530133497.db2.gz KZUSBNCSISQMEZ-UHFFFAOYSA-N 1 2 377.507 -0.199 20 0 GBADLO Nc1nc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)nc(N2CCOCC2)n1 ZINC000651012401 1073207770 /nfs/dbraw/zinc/20/77/70/1073207770.db2.gz QGULZUUYQVBSHQ-CYBMUJFWSA-N 1 2 377.449 -0.942 20 0 GBADLO O=C(C[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1)Nc1ccccc1 ZINC000651046610 1073214821 /nfs/dbraw/zinc/21/48/21/1073214821.db2.gz GGHZZRKLGQUSAI-OAHLLOKOSA-N 1 2 380.470 -0.103 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000651083336 530139788 /nfs/dbraw/zinc/13/97/88/530139788.db2.gz XAZRMLZKNDNTDV-UHFFFAOYSA-N 1 2 378.495 -0.943 20 0 GBADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651130588 530139798 /nfs/dbraw/zinc/13/97/98/530139798.db2.gz VMEAAGLTTAEAIX-AWEZNQCLSA-N 1 2 380.511 -0.696 20 0 GBADLO CC[C@H](CNS(C)(=O)=O)NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651130589 530139518 /nfs/dbraw/zinc/13/95/18/530139518.db2.gz VMEAAGLTTAEAIX-CQSZACIVSA-N 1 2 380.511 -0.696 20 0 GBADLO O=C(Cn1nc2n(c1=O)CCCC2)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000651167142 1073223877 /nfs/dbraw/zinc/22/38/77/1073223877.db2.gz ZFKCYLSGHKCNAZ-QGZVFWFLSA-N 1 2 381.502 -0.295 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000651243270 530140611 /nfs/dbraw/zinc/14/06/11/530140611.db2.gz UVLYRRXQCBSZFG-AWEZNQCLSA-N 1 2 378.495 -0.990 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000651243271 530140538 /nfs/dbraw/zinc/14/05/38/530140538.db2.gz UVLYRRXQCBSZFG-CQSZACIVSA-N 1 2 378.495 -0.990 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC[C@]2(O)CCOC2)CC1 ZINC000651277437 1073239466 /nfs/dbraw/zinc/23/94/66/1073239466.db2.gz XBYRFCRCOKTFLY-KRWDZBQOSA-N 1 2 375.433 -0.264 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(n2cnnn2)CCCCC1 ZINC000651352199 1073255186 /nfs/dbraw/zinc/25/51/86/1073255186.db2.gz KRECJBLPPQOQFM-HNNXBMFYSA-N 1 2 391.476 -0.618 20 0 GBADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000651352213 1073255196 /nfs/dbraw/zinc/25/51/96/1073255196.db2.gz LHYNPOVQCNLPFV-INIZCTEOSA-N 1 2 375.473 -0.189 20 0 GBADLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000651352214 1073255037 /nfs/dbraw/zinc/25/50/37/1073255037.db2.gz LHYNPOVQCNLPFV-MRXNPFEDSA-N 1 2 375.473 -0.189 20 0 GBADLO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)co1 ZINC000651352263 1073254931 /nfs/dbraw/zinc/25/49/31/1073254931.db2.gz OEQFUPBBEUXFPL-CYBMUJFWSA-N 1 2 385.442 -0.654 20 0 GBADLO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)co1 ZINC000651352264 1073254948 /nfs/dbraw/zinc/25/49/48/1073254948.db2.gz OEQFUPBBEUXFPL-ZDUSSCGKSA-N 1 2 385.442 -0.654 20 0 GBADLO Cc1nnnn1-c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000651352490 1073255464 /nfs/dbraw/zinc/25/54/64/1073255464.db2.gz ZEBBIQUTKAWCKV-INIZCTEOSA-N 1 2 399.455 -0.366 20 0 GBADLO O=C(N[C@@H](CO)C(=O)N1CC[NH+](CCn2cncn2)CC1)c1ccc(F)cc1 ZINC000651376422 1073267502 /nfs/dbraw/zinc/26/75/02/1073267502.db2.gz FFHWGYSBCZRIJK-INIZCTEOSA-N 1 2 390.419 -0.648 20 0 GBADLO CCN1C[C@@H](CNc2nc(NC[C@@H]3CC(=O)N(CC)C3)c(OC)c[nH+]2)CC1=O ZINC000651423029 1073298278 /nfs/dbraw/zinc/29/82/78/1073298278.db2.gz WYYPAJZEQSGAKV-UONOGXRCSA-N 1 2 390.488 -0.110 20 0 GBADLO NS(=O)(=O)c1cc(Br)cnc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651451198 530146291 /nfs/dbraw/zinc/14/62/91/530146291.db2.gz KSRFQIOMMMVTNO-SNVBAGLBSA-N 1 2 377.264 -0.253 20 0 GBADLO NS(=O)(=O)c1cc(Br)cnc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651451198 530146289 /nfs/dbraw/zinc/14/62/89/530146289.db2.gz KSRFQIOMMMVTNO-SNVBAGLBSA-N 1 2 377.264 -0.253 20 0 GBADLO C[NH+](C)CCCN(C(=O)[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000651461157 530147229 /nfs/dbraw/zinc/14/72/29/530147229.db2.gz LZGPODUPPFCOQL-KBPBESRZSA-N 1 2 380.532 -0.221 20 0 GBADLO C[NH+](C)CCCN(C(=O)[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000651461158 530146938 /nfs/dbraw/zinc/14/69/38/530146938.db2.gz LZGPODUPPFCOQL-KGLIPLIRSA-N 1 2 380.532 -0.221 20 0 GBADLO C[NH+](C)CCCN(C(=O)[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000651461159 530147018 /nfs/dbraw/zinc/14/70/18/530147018.db2.gz LZGPODUPPFCOQL-UONOGXRCSA-N 1 2 380.532 -0.221 20 0 GBADLO C[NH+](C)CCCN(C(=O)[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000651461160 530146910 /nfs/dbraw/zinc/14/69/10/530146910.db2.gz LZGPODUPPFCOQL-ZIAGYGMSSA-N 1 2 380.532 -0.221 20 0 GBADLO CC(C)n1cnc(=NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH]1 ZINC000651502759 1073332162 /nfs/dbraw/zinc/33/21/62/1073332162.db2.gz YKJXWXKCIUBPIZ-MRXNPFEDSA-N 1 2 386.456 -0.245 20 0 GBADLO CC(C)n1cnc(=NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[nH]1 ZINC000651502759 1073332158 /nfs/dbraw/zinc/33/21/58/1073332158.db2.gz YKJXWXKCIUBPIZ-MRXNPFEDSA-N 1 2 386.456 -0.245 20 0 GBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCCOCC1 ZINC000651504499 530148509 /nfs/dbraw/zinc/14/85/09/530148509.db2.gz VOCDVJHUJNPDGB-HNNXBMFYSA-N 1 2 397.563 -0.216 20 0 GBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCCOCC1 ZINC000651504500 530148695 /nfs/dbraw/zinc/14/86/95/530148695.db2.gz VOCDVJHUJNPDGB-OAHLLOKOSA-N 1 2 397.563 -0.216 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)N2CCCOCC2)CC1 ZINC000651512947 530148315 /nfs/dbraw/zinc/14/83/15/530148315.db2.gz DHDCGCJQRPZOKQ-UHFFFAOYSA-N 1 2 376.523 -0.170 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)N2CCCOCC2)CC1 ZINC000651512947 530148314 /nfs/dbraw/zinc/14/83/14/530148314.db2.gz DHDCGCJQRPZOKQ-UHFFFAOYSA-N 1 2 376.523 -0.170 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC2(OC)CCOCC2)CC1 ZINC000651520051 530148488 /nfs/dbraw/zinc/14/84/88/530148488.db2.gz MBWPOBCTYVFKPZ-UHFFFAOYSA-N 1 2 377.507 -0.344 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC2(OC)CCOCC2)CC1 ZINC000651520051 530148484 /nfs/dbraw/zinc/14/84/84/530148484.db2.gz MBWPOBCTYVFKPZ-UHFFFAOYSA-N 1 2 377.507 -0.344 20 0 GBADLO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[nH]2)CC1 ZINC000651557211 1073368190 /nfs/dbraw/zinc/36/81/90/1073368190.db2.gz UYSBFDZEOSSXFJ-UHFFFAOYSA-N 1 2 379.465 -0.768 20 0 GBADLO COC1(CS(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCOCC1 ZINC000651602142 530155412 /nfs/dbraw/zinc/15/54/12/530155412.db2.gz FEFHWXAEVWVZNO-UHFFFAOYSA-N 1 2 377.507 -0.392 20 0 GBADLO CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH]1 ZINC000651638367 1073387792 /nfs/dbraw/zinc/38/77/92/1073387792.db2.gz XPIWDARJWJSDRF-XYPWUTKMSA-N 1 2 389.504 -0.011 20 0 GBADLO CC(C)n1cnc(=NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[nH]1 ZINC000651638367 1073387782 /nfs/dbraw/zinc/38/77/82/1073387782.db2.gz XPIWDARJWJSDRF-XYPWUTKMSA-N 1 2 389.504 -0.011 20 0 GBADLO COCCCn1cc(C)c(=NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)[nH]1 ZINC000651675694 1073399335 /nfs/dbraw/zinc/39/93/35/1073399335.db2.gz PNJWFTBSAUMDRC-UHFFFAOYSA-N 1 2 381.477 -0.496 20 0 GBADLO COCCCn1cc(C)c(=NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)[nH]1 ZINC000651675694 1073399320 /nfs/dbraw/zinc/39/93/20/1073399320.db2.gz PNJWFTBSAUMDRC-UHFFFAOYSA-N 1 2 381.477 -0.496 20 0 GBADLO CN(C)c1cc(F)cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000651717580 1073409407 /nfs/dbraw/zinc/40/94/07/1073409407.db2.gz KPRJHCXBRAMITI-INIZCTEOSA-N 1 2 382.436 -0.018 20 0 GBADLO CN(C)c1cc(F)cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000651717581 1073409246 /nfs/dbraw/zinc/40/92/46/1073409246.db2.gz KPRJHCXBRAMITI-MRXNPFEDSA-N 1 2 382.436 -0.018 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)CC2(OC)CCOCC2)CC1 ZINC000651738889 530161070 /nfs/dbraw/zinc/16/10/70/530161070.db2.gz AXUHDJPIMPNMJE-UHFFFAOYSA-N 1 2 380.507 -0.209 20 0 GBADLO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[nH]2)CC1 ZINC000651797317 1073425468 /nfs/dbraw/zinc/42/54/68/1073425468.db2.gz KAMJDNGFPWNWMV-UHFFFAOYSA-N 1 2 396.492 -0.195 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCS(=O)(=O)N3)c2)CC1 ZINC000651842676 1073431212 /nfs/dbraw/zinc/43/12/12/1073431212.db2.gz CIWBHPLXHWZFDJ-INIZCTEOSA-N 1 2 380.470 -0.019 20 0 GBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCS(=O)(=O)N3)c2)CC1 ZINC000651842677 1073431528 /nfs/dbraw/zinc/43/15/28/1073431528.db2.gz CIWBHPLXHWZFDJ-MRXNPFEDSA-N 1 2 380.470 -0.019 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000651881480 530168886 /nfs/dbraw/zinc/16/88/86/530168886.db2.gz DHGQQPMLPWIFLA-CYBMUJFWSA-N 1 2 389.499 -0.624 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000651881480 530168883 /nfs/dbraw/zinc/16/88/83/530168883.db2.gz DHGQQPMLPWIFLA-CYBMUJFWSA-N 1 2 389.499 -0.624 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000651881588 530168917 /nfs/dbraw/zinc/16/89/17/530168917.db2.gz INZIZEYSAOFFGJ-CYBMUJFWSA-N 1 2 389.499 -0.624 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000651881588 530168912 /nfs/dbraw/zinc/16/89/12/530168912.db2.gz INZIZEYSAOFFGJ-CYBMUJFWSA-N 1 2 389.499 -0.624 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000651881595 530168783 /nfs/dbraw/zinc/16/87/83/530168783.db2.gz IUPCKSWTAXIUDD-GFCCVEGCSA-N 1 2 375.472 -0.966 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000651881595 530168780 /nfs/dbraw/zinc/16/87/80/530168780.db2.gz IUPCKSWTAXIUDD-GFCCVEGCSA-N 1 2 375.472 -0.966 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000651881878 530168480 /nfs/dbraw/zinc/16/84/80/530168480.db2.gz SSXCWYGSSBDNBT-GFCCVEGCSA-N 1 2 393.462 -0.363 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000651881878 530168476 /nfs/dbraw/zinc/16/84/76/530168476.db2.gz SSXCWYGSSBDNBT-GFCCVEGCSA-N 1 2 393.462 -0.363 20 0 GBADLO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882073 530169355 /nfs/dbraw/zinc/16/93/55/530169355.db2.gz AHPASEJQRGEBST-GFCCVEGCSA-N 1 2 389.861 -0.356 20 0 GBADLO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882073 530169352 /nfs/dbraw/zinc/16/93/52/530169352.db2.gz AHPASEJQRGEBST-GFCCVEGCSA-N 1 2 389.861 -0.356 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1C ZINC000651882218 530169484 /nfs/dbraw/zinc/16/94/84/530169484.db2.gz GYQUDAHKGCDHPS-CYBMUJFWSA-N 1 2 389.499 -0.657 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1C ZINC000651882218 530169480 /nfs/dbraw/zinc/16/94/80/530169480.db2.gz GYQUDAHKGCDHPS-CYBMUJFWSA-N 1 2 389.499 -0.657 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882219 530169535 /nfs/dbraw/zinc/16/95/35/530169535.db2.gz HACARYJDSLQAEL-GFCCVEGCSA-N 1 2 375.472 -0.966 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882219 530169532 /nfs/dbraw/zinc/16/95/32/530169532.db2.gz HACARYJDSLQAEL-GFCCVEGCSA-N 1 2 375.472 -0.966 20 0 GBADLO O=C1Cc2cc(S(=O)(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)cc3c2N1CCC3 ZINC000651882252 1073439888 /nfs/dbraw/zinc/43/98/88/1073439888.db2.gz ICMSEUWJYRTPIP-OAHLLOKOSA-N 1 2 377.466 -0.039 20 0 GBADLO O=C1Cc2cc(S(=O)(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)cc3c2N1CCC3 ZINC000651882252 1073439884 /nfs/dbraw/zinc/43/98/84/1073439884.db2.gz ICMSEUWJYRTPIP-OAHLLOKOSA-N 1 2 377.466 -0.039 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882359 530169343 /nfs/dbraw/zinc/16/93/43/530169343.db2.gz LVPUGORKSNNETB-CYBMUJFWSA-N 1 2 389.499 -0.624 20 0 GBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882359 530169338 /nfs/dbraw/zinc/16/93/38/530169338.db2.gz LVPUGORKSNNETB-CYBMUJFWSA-N 1 2 389.499 -0.624 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000651882361 530169604 /nfs/dbraw/zinc/16/96/04/530169604.db2.gz LXNSNRQTYOATAH-GFCCVEGCSA-N 1 2 375.472 -0.966 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000651882361 530169600 /nfs/dbraw/zinc/16/96/00/530169600.db2.gz LXNSNRQTYOATAH-GFCCVEGCSA-N 1 2 375.472 -0.966 20 0 GBADLO O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882421 530169457 /nfs/dbraw/zinc/16/94/57/530169457.db2.gz OLGRTMZIPAUEGG-SNVBAGLBSA-N 1 2 384.849 -0.040 20 0 GBADLO O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882421 530169456 /nfs/dbraw/zinc/16/94/56/530169456.db2.gz OLGRTMZIPAUEGG-SNVBAGLBSA-N 1 2 384.849 -0.040 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882492 530169137 /nfs/dbraw/zinc/16/91/37/530169137.db2.gz RWTFKUGSHVXMKI-CYBMUJFWSA-N 1 2 389.499 -0.576 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882492 530169135 /nfs/dbraw/zinc/16/91/35/530169135.db2.gz RWTFKUGSHVXMKI-CYBMUJFWSA-N 1 2 389.499 -0.576 20 0 GBADLO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651882514 530169174 /nfs/dbraw/zinc/16/91/74/530169174.db2.gz UFGNSJXUVVLNSU-CQSZACIVSA-N 1 2 389.499 -0.955 20 0 GBADLO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651882514 530169171 /nfs/dbraw/zinc/16/91/71/530169171.db2.gz UFGNSJXUVVLNSU-CQSZACIVSA-N 1 2 389.499 -0.955 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1F ZINC000651882678 530169224 /nfs/dbraw/zinc/16/92/24/530169224.db2.gz YAQCZKYCGUDABI-LLVKDONJSA-N 1 2 393.462 -0.363 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1F ZINC000651882678 530169221 /nfs/dbraw/zinc/16/92/21/530169221.db2.gz YAQCZKYCGUDABI-LLVKDONJSA-N 1 2 393.462 -0.363 20 0 GBADLO O=C(COc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1)NC1CC1 ZINC000651882968 1073439667 /nfs/dbraw/zinc/43/96/67/1073439667.db2.gz NDRAWKQXKOYYJD-OAHLLOKOSA-N 1 2 395.481 -0.217 20 0 GBADLO O=C(COc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1)NC1CC1 ZINC000651882968 1073439663 /nfs/dbraw/zinc/43/96/63/1073439663.db2.gz NDRAWKQXKOYYJD-OAHLLOKOSA-N 1 2 395.481 -0.217 20 0 GBADLO COCCOCC[NH+]1CCN(S(=O)(=O)c2cnn(CCOC)c2)CC1 ZINC000651930909 530172721 /nfs/dbraw/zinc/17/27/21/530172721.db2.gz GKHOXSSIQJWKGN-UHFFFAOYSA-N 1 2 376.479 -0.501 20 0 GBADLO COCCOCC[NH+]1CCN(S(=O)(=O)CC2(OC)CCOCC2)CC1 ZINC000651931828 530172871 /nfs/dbraw/zinc/17/28/71/530172871.db2.gz DMRKBWLQMMUZMT-UHFFFAOYSA-N 1 2 380.507 -0.208 20 0 GBADLO COCCOCCN1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000651932016 530172824 /nfs/dbraw/zinc/17/28/24/530172824.db2.gz JKPRNOKZHBKFIX-UHFFFAOYSA-N 1 2 379.523 -0.681 20 0 GBADLO C[NH+](C)CCN1CCN(C(=O)C(=O)N=c2ncn(C3CCCCC3)[nH]2)CC1=O ZINC000651957881 1072249294 /nfs/dbraw/zinc/24/92/94/1072249294.db2.gz PXHKDDHQUFDIPB-UHFFFAOYSA-N 1 2 391.476 -0.624 20 0 GBADLO C[NH+](C)CCN1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1=O ZINC000651958630 1072262229 /nfs/dbraw/zinc/26/22/29/1072262229.db2.gz KPIQZLFVWYWYJU-UHFFFAOYSA-N 1 2 382.490 -0.572 20 0 GBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000652017977 1073288463 /nfs/dbraw/zinc/28/84/63/1073288463.db2.gz HRLAXCACPFUCRM-BETUJISGSA-N 1 2 387.440 -0.607 20 0 GBADLO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000652030569 1073337111 /nfs/dbraw/zinc/33/71/11/1073337111.db2.gz IVVHCUSHGZTESN-QZTJIDSGSA-N 1 2 390.484 -0.019 20 0 GBADLO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000652031698 1073337038 /nfs/dbraw/zinc/33/70/38/1073337038.db2.gz XGXFZDKRZLJKGK-ZIAGYGMSSA-N 1 2 378.429 -0.227 20 0 GBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C2 ZINC000652090685 1073359698 /nfs/dbraw/zinc/35/96/98/1073359698.db2.gz NDAFDMJWCXCCHJ-BBRMVZONSA-N 1 2 384.502 -0.029 20 0 GBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C2 ZINC000652090686 1073359434 /nfs/dbraw/zinc/35/94/34/1073359434.db2.gz NDAFDMJWCXCCHJ-CJNGLKHVSA-N 1 2 384.502 -0.029 20 0 GBADLO O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652148610 1073469155 /nfs/dbraw/zinc/46/91/55/1073469155.db2.gz AHZWOKALXJHBDW-UHFFFAOYSA-N 1 2 381.400 -0.332 20 0 GBADLO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652149141 1073471334 /nfs/dbraw/zinc/47/13/34/1073471334.db2.gz TVBLDSAVGHJRCL-UHFFFAOYSA-N 1 2 381.400 -0.332 20 0 GBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H](CO)CCF)CC1 ZINC000652189298 1073479894 /nfs/dbraw/zinc/47/98/94/1073479894.db2.gz INMIRBPGGUGWNB-CYBMUJFWSA-N 1 2 380.420 -0.151 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC(Cn2cnnc2)CC1 ZINC000652391815 1073509142 /nfs/dbraw/zinc/50/91/42/1073509142.db2.gz NGYPORPLJLJCIH-KRWDZBQOSA-N 1 2 390.488 -0.160 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC(Cn2cnnc2)CC1 ZINC000652391816 1073509454 /nfs/dbraw/zinc/50/94/54/1073509454.db2.gz NGYPORPLJLJCIH-QGZVFWFLSA-N 1 2 390.488 -0.160 20 0 GBADLO O=C(NCc1cc(=O)n2ccccc2n1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000652391870 1073509064 /nfs/dbraw/zinc/50/90/64/1073509064.db2.gz OUYAKHIORDLHAX-INIZCTEOSA-N 1 2 399.451 -0.366 20 0 GBADLO O=C(NCc1cc(=O)n2ccccc2n1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000652391871 1073508660 /nfs/dbraw/zinc/50/86/60/1073508660.db2.gz OUYAKHIORDLHAX-MRXNPFEDSA-N 1 2 399.451 -0.366 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC(Cn3cnnc3)CC2)CC1 ZINC000652399916 1073510807 /nfs/dbraw/zinc/51/08/07/1073510807.db2.gz NCBQCKSWIJMMEC-UHFFFAOYSA-N 1 2 378.477 -0.303 20 0 GBADLO COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000652411781 1073514851 /nfs/dbraw/zinc/51/48/51/1073514851.db2.gz QVHIMOAMAMBVGJ-INIZCTEOSA-N 1 2 393.488 -0.077 20 0 GBADLO COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000652411782 1073514476 /nfs/dbraw/zinc/51/44/76/1073514476.db2.gz QVHIMOAMAMBVGJ-MRXNPFEDSA-N 1 2 393.488 -0.077 20 0 GBADLO COCCOCCN1CCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000652423476 1073515939 /nfs/dbraw/zinc/51/59/39/1073515939.db2.gz CBVIRFDSMRLFRH-UHFFFAOYSA-N 1 2 393.488 -0.077 20 0 GBADLO COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000652430144 1073516797 /nfs/dbraw/zinc/51/67/97/1073516797.db2.gz PKKUUZAZTSQQOM-KRWDZBQOSA-N 1 2 393.488 -0.146 20 0 GBADLO COCCOCCN1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000652430145 1073517008 /nfs/dbraw/zinc/51/70/08/1073517008.db2.gz PKKUUZAZTSQQOM-QGZVFWFLSA-N 1 2 393.488 -0.146 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CCC(Cn4cnnc4)CC3)CC2)cc[nH+]1 ZINC000652463475 1073521088 /nfs/dbraw/zinc/52/10/88/1073521088.db2.gz HURWBBUSOMURQS-UHFFFAOYSA-N 1 2 398.471 -0.036 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC(C3(O)CC3)CC2)CC1 ZINC000652488776 1073526995 /nfs/dbraw/zinc/52/69/95/1073526995.db2.gz KSGLGTWBTSVCPT-UHFFFAOYSA-N 1 2 383.489 -0.445 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H](C)CO)CC2)CC1 ZINC000652488777 1073526675 /nfs/dbraw/zinc/52/66/75/1073526675.db2.gz KYMIMLDTUGIOKJ-HNNXBMFYSA-N 1 2 385.505 -0.341 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H](C)CO)CC2)CC1 ZINC000652488778 1073526913 /nfs/dbraw/zinc/52/69/13/1073526913.db2.gz KYMIMLDTUGIOKJ-OAHLLOKOSA-N 1 2 385.505 -0.341 20 0 GBADLO CCn1cc(CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C(C)C)cn1 ZINC000652526663 1073529653 /nfs/dbraw/zinc/52/96/53/1073529653.db2.gz KEOHBOHFIXLBIR-QGZVFWFLSA-N 1 2 395.504 -0.209 20 0 GBADLO C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652529810 1073530093 /nfs/dbraw/zinc/53/00/93/1073530093.db2.gz WNMSIGOIVRPYND-HRCADAONSA-N 1 2 384.436 -0.897 20 0 GBADLO C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000652529810 1073530083 /nfs/dbraw/zinc/53/00/83/1073530083.db2.gz WNMSIGOIVRPYND-HRCADAONSA-N 1 2 384.436 -0.897 20 0 GBADLO C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652529811 1073529755 /nfs/dbraw/zinc/52/97/55/1073529755.db2.gz WNMSIGOIVRPYND-OAGGEKHMSA-N 1 2 384.436 -0.897 20 0 GBADLO C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652529811 1073529744 /nfs/dbraw/zinc/52/97/44/1073529744.db2.gz WNMSIGOIVRPYND-OAGGEKHMSA-N 1 2 384.436 -0.897 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CCOC[C@H]3c3ccnn3C)CC2)cc[nH+]1 ZINC000652543060 1073531034 /nfs/dbraw/zinc/53/10/34/1073531034.db2.gz JSSRVUHXCOHMIM-INIZCTEOSA-N 1 2 399.455 -0.233 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CCOC[C@@H]3c3ccnn3C)CC2)cc[nH+]1 ZINC000652543061 1073530925 /nfs/dbraw/zinc/53/09/25/1073530925.db2.gz JSSRVUHXCOHMIM-MRXNPFEDSA-N 1 2 399.455 -0.233 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)C[C@H](C)O1 ZINC000652543225 1073531552 /nfs/dbraw/zinc/53/15/52/1073531552.db2.gz NIEUYGFZSHJALM-HLLBOEOZSA-N 1 2 393.488 -0.112 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)C[C@H](C)O1 ZINC000652543225 1073531545 /nfs/dbraw/zinc/53/15/45/1073531545.db2.gz NIEUYGFZSHJALM-HLLBOEOZSA-N 1 2 393.488 -0.112 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000652543708 1073532802 /nfs/dbraw/zinc/53/28/02/1073532802.db2.gz WQPFNBLFVGNDTA-INIZCTEOSA-N 1 2 393.488 -0.111 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000652543708 1073532797 /nfs/dbraw/zinc/53/27/97/1073532797.db2.gz WQPFNBLFVGNDTA-INIZCTEOSA-N 1 2 393.488 -0.111 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000652543709 1073532359 /nfs/dbraw/zinc/53/23/59/1073532359.db2.gz WQPFNBLFVGNDTA-MRXNPFEDSA-N 1 2 393.488 -0.111 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000652543709 1073532350 /nfs/dbraw/zinc/53/23/50/1073532350.db2.gz WQPFNBLFVGNDTA-MRXNPFEDSA-N 1 2 393.488 -0.111 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)CC1 ZINC000652544268 1073533770 /nfs/dbraw/zinc/53/37/70/1073533770.db2.gz JBYRABZXIVMPCJ-INIZCTEOSA-N 1 2 379.461 -0.499 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)CC1 ZINC000652544269 1073533510 /nfs/dbraw/zinc/53/35/10/1073533510.db2.gz JBYRABZXIVMPCJ-MRXNPFEDSA-N 1 2 379.461 -0.499 20 0 GBADLO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000652546141 1073535183 /nfs/dbraw/zinc/53/51/83/1073535183.db2.gz VVTHJMDDOFFHGD-DOTOQJQBSA-N 1 2 391.472 -0.357 20 0 GBADLO Cn1nccc1[C@H]1COCCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000652546142 1073535117 /nfs/dbraw/zinc/53/51/17/1073535117.db2.gz VVTHJMDDOFFHGD-NVXWUHKLSA-N 1 2 391.472 -0.357 20 0 GBADLO Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000652546144 1073535107 /nfs/dbraw/zinc/53/51/07/1073535107.db2.gz VVTHJMDDOFFHGD-WBVHZDCISA-N 1 2 391.472 -0.357 20 0 GBADLO CC1(C)CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]2COC[C@H]2O1 ZINC000652550380 1073535651 /nfs/dbraw/zinc/53/56/51/1073535651.db2.gz JWGRKVNVIUFDQI-ARFHVFGLSA-N 1 2 381.473 -0.286 20 0 GBADLO CC1(C)CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]2COC[C@H]2O1 ZINC000652550381 1073535624 /nfs/dbraw/zinc/53/56/24/1073535624.db2.gz JWGRKVNVIUFDQI-BZUAXINKSA-N 1 2 381.473 -0.286 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)C[C@H](C)O1 ZINC000652550968 1073535097 /nfs/dbraw/zinc/53/50/97/1073535097.db2.gz BXPFOXCQULGNOT-QKPAOTATSA-N 1 2 383.489 -0.041 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)C[C@H](C)O1 ZINC000652550968 1073535091 /nfs/dbraw/zinc/53/50/91/1073535091.db2.gz BXPFOXCQULGNOT-QKPAOTATSA-N 1 2 383.489 -0.041 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)CC2)cc[nH+]1 ZINC000652551276 1073535741 /nfs/dbraw/zinc/53/57/41/1073535741.db2.gz LOTXZVSTBWUYFF-HUUCEWRRSA-N 1 2 389.456 -0.162 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000652551537 1073535891 /nfs/dbraw/zinc/53/58/91/1073535891.db2.gz RMZYUHCIXGQNRM-HUUCEWRRSA-N 1 2 383.489 -0.040 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000652551537 1073535877 /nfs/dbraw/zinc/53/58/77/1073535877.db2.gz RMZYUHCIXGQNRM-HUUCEWRRSA-N 1 2 383.489 -0.040 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)CC1 ZINC000652551633 1073535675 /nfs/dbraw/zinc/53/56/75/1073535675.db2.gz UPZMIDLUWGZFIR-HZPDHXFCSA-N 1 2 383.489 -0.040 20 0 GBADLO O=C(CNS(=O)(=O)c1c(F)cccc1F)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652886637 530298185 /nfs/dbraw/zinc/29/81/85/530298185.db2.gz ROCWCGUFXDNONU-LLVKDONJSA-N 1 2 375.397 -0.480 20 0 GBADLO O=C(CNS(=O)(=O)c1c(F)cccc1F)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652886637 530298183 /nfs/dbraw/zinc/29/81/83/530298183.db2.gz ROCWCGUFXDNONU-LLVKDONJSA-N 1 2 375.397 -0.480 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)oc2C)CC1 ZINC000652997759 530328671 /nfs/dbraw/zinc/32/86/71/530328671.db2.gz MPVCMWJHTFSEBE-UHFFFAOYSA-N 1 2 375.447 -0.344 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000652999145 530328581 /nfs/dbraw/zinc/32/85/81/530328581.db2.gz NKPLHTARPZWRAR-AWEZNQCLSA-N 1 2 379.523 -0.243 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000652999146 530328817 /nfs/dbraw/zinc/32/88/17/530328817.db2.gz NKPLHTARPZWRAR-CQSZACIVSA-N 1 2 379.523 -0.243 20 0 GBADLO CNS(=O)(=O)c1cc(C(=O)N2CC[NH+](CCOCCOC)CC2)co1 ZINC000652999285 530328650 /nfs/dbraw/zinc/32/86/50/530328650.db2.gz SLAHHSSLHSUOGC-UHFFFAOYSA-N 1 2 375.447 -0.392 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000652999432 1073865470 /nfs/dbraw/zinc/86/54/70/1073865470.db2.gz YWFVNEIHJYLHJR-UHFFFAOYSA-N 1 2 389.449 -0.106 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)CC1 ZINC000652999779 530328840 /nfs/dbraw/zinc/32/88/40/530328840.db2.gz JKFRCSFQICZGDT-UHFFFAOYSA-N 1 2 375.447 -0.344 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)CC1 ZINC000653000498 1073866236 /nfs/dbraw/zinc/86/62/36/1073866236.db2.gz GZMJHTNGXSHUNU-MRXNPFEDSA-N 1 2 381.477 -0.290 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000653000610 530328530 /nfs/dbraw/zinc/32/85/30/530328530.db2.gz LTMNPTZNKWLQDL-UHFFFAOYSA-N 1 2 377.488 -0.184 20 0 GBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000653000684 1073865681 /nfs/dbraw/zinc/86/56/81/1073865681.db2.gz PAWUBSXSIRAJJM-MRXNPFEDSA-N 1 2 391.534 -0.145 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000653001199 1073865911 /nfs/dbraw/zinc/86/59/11/1073865911.db2.gz HCZZMNKDKVCJHN-GOSISDBHSA-N 1 2 382.461 -0.486 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000653001200 1073866162 /nfs/dbraw/zinc/86/61/62/1073866162.db2.gz HCZZMNKDKVCJHN-SFHVURJKSA-N 1 2 382.461 -0.486 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000653001210 530328803 /nfs/dbraw/zinc/32/88/03/530328803.db2.gz HJXNXRDANHYRER-UHFFFAOYSA-N 1 2 377.488 -0.184 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)c2c(C)oc(C)c2S(N)(=O)=O)CC1 ZINC000653001238 1073866019 /nfs/dbraw/zinc/86/60/19/1073866019.db2.gz IRMLQPCOKOJJQJ-UHFFFAOYSA-N 1 2 389.474 -0.035 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)CN(C)c2ncnc3nc[nH]c32)CC1 ZINC000653001251 1073865835 /nfs/dbraw/zinc/86/58/35/1073865835.db2.gz JCCQMRROZDGIQH-UHFFFAOYSA-N 1 2 377.449 -0.404 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000653001272 1073866433 /nfs/dbraw/zinc/86/64/33/1073866433.db2.gz JZBHNBDCNOYRHW-UHFFFAOYSA-N 1 2 389.456 -0.011 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000653001291 530328556 /nfs/dbraw/zinc/32/85/56/530328556.db2.gz LACZRCFRRSSUAR-UHFFFAOYSA-N 1 2 377.507 -0.535 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000653001329 1073866267 /nfs/dbraw/zinc/86/62/67/1073866267.db2.gz MHHPSEQSTXGOGA-UHFFFAOYSA-N 1 2 388.490 -0.314 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000653001347 1073864576 /nfs/dbraw/zinc/86/45/76/1073864576.db2.gz NBKURBSQUXRNDA-UHFFFAOYSA-N 1 2 375.429 -0.401 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000653001426 530328809 /nfs/dbraw/zinc/32/88/09/530328809.db2.gz QTNNTPGXKBOEIT-HNNXBMFYSA-N 1 2 377.507 -0.392 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000653001427 530328734 /nfs/dbraw/zinc/32/87/34/530328734.db2.gz QTNNTPGXKBOEIT-OAHLLOKOSA-N 1 2 377.507 -0.392 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000653001471 530328561 /nfs/dbraw/zinc/32/85/61/530328561.db2.gz SXXDRBHOUACOKQ-UHFFFAOYSA-N 1 2 391.515 -0.166 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCOCCOC)CC2)o1 ZINC000653001505 530328697 /nfs/dbraw/zinc/32/86/97/530328697.db2.gz VAGYGGGHCMEQDZ-UHFFFAOYSA-N 1 2 375.447 -0.392 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000653001586 530328547 /nfs/dbraw/zinc/32/85/47/530328547.db2.gz ZGDQUVRGUJDLPW-UHFFFAOYSA-N 1 2 391.515 -0.255 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000653002147 1073866406 /nfs/dbraw/zinc/86/64/06/1073866406.db2.gz RMPQJDRNTBYLPU-UHFFFAOYSA-N 1 2 393.440 -0.048 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000653002255 1073865964 /nfs/dbraw/zinc/86/59/64/1073865964.db2.gz WBLCQBQRQKRJEW-UHFFFAOYSA-N 1 2 384.477 -0.096 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21)[NH+]1CCOCC1 ZINC000653361441 1072722258 /nfs/dbraw/zinc/72/22/58/1072722258.db2.gz OOERZMBWXRRRIX-BZUAXINKSA-N 1 2 383.489 -0.136 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C)[NH+]1CCOCC1 ZINC000653361538 1072725898 /nfs/dbraw/zinc/72/58/98/1072725898.db2.gz RSBXNTQEVBXVQZ-IAGOWNOFSA-N 1 2 393.488 -0.207 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C)[NH+]1CCOCC1 ZINC000653361539 1072725469 /nfs/dbraw/zinc/72/54/69/1072725469.db2.gz RSBXNTQEVBXVQZ-IRXDYDNUSA-N 1 2 393.488 -0.207 20 0 GBADLO CCN1C[C@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1=O ZINC000653397124 1073003482 /nfs/dbraw/zinc/00/34/82/1073003482.db2.gz MJSZKBUSTQYFDY-ARFHVFGLSA-N 1 2 380.489 -0.269 20 0 GBADLO COCCOCCN1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000653404894 1073015676 /nfs/dbraw/zinc/01/56/76/1073015676.db2.gz PSMXODIWTTYCSF-UHFFFAOYSA-N 1 2 389.456 -0.242 20 0 GBADLO C[C@@H](CO)C1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000653432091 1073363341 /nfs/dbraw/zinc/36/33/41/1073363341.db2.gz AHBWQKGDTFGPAC-INIZCTEOSA-N 1 2 397.516 -0.149 20 0 GBADLO C[C@H](COCC1CC1)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000653432247 1073362938 /nfs/dbraw/zinc/36/29/38/1073362938.db2.gz FMXQDSDBPJFANI-OAHLLOKOSA-N 1 2 383.489 -0.085 20 0 GBADLO O=C(NCc1ncc2c(n1)CCOC2)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000653436178 1073431440 /nfs/dbraw/zinc/43/14/40/1073431440.db2.gz NYUCLVVTRFXVJB-OAHLLOKOSA-N 1 2 389.456 -0.511 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ncc3c(n2)CCOC3)CC1 ZINC000653436877 1073467202 /nfs/dbraw/zinc/46/72/02/1073467202.db2.gz COFIZFVQLTZPOT-UHFFFAOYSA-N 1 2 377.445 -0.654 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)CC1 ZINC000653459628 1073511523 /nfs/dbraw/zinc/51/15/23/1073511523.db2.gz FZLMBMZEPCFTLV-HNNXBMFYSA-N 1 2 376.457 -0.331 20 0 GBADLO COCC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000653487567 530327438 /nfs/dbraw/zinc/32/74/38/530327438.db2.gz BDNLXNJKKHPYHT-UHFFFAOYSA-N 1 2 377.488 -0.019 20 0 GBADLO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2nncs2)C1 ZINC000653487964 530327330 /nfs/dbraw/zinc/32/73/30/530327330.db2.gz XBMRNJXJYDZOKB-PHIMTYICSA-N 1 2 397.548 -0.071 20 0 GBADLO NS(=O)(=O)CC[NH+]1CCN(Cc2ccc(OCC(F)(F)F)nn2)CC1 ZINC000653582771 530332215 /nfs/dbraw/zinc/33/22/15/530332215.db2.gz YVUNOBKMROIKHS-UHFFFAOYSA-N 1 2 383.396 -0.176 20 0 GBADLO C[C@@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)NC(N)=O ZINC000654776570 1072134719 /nfs/dbraw/zinc/13/47/19/1072134719.db2.gz TVAWSEPGRIXAGF-KBPBESRZSA-N 1 2 391.476 -0.155 20 0 GBADLO C[C@@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)NC(N)=O ZINC000654776570 1072134717 /nfs/dbraw/zinc/13/47/17/1072134717.db2.gz TVAWSEPGRIXAGF-KBPBESRZSA-N 1 2 391.476 -0.155 20 0 GBADLO C[C@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)NC(N)=O ZINC000654776571 1072134673 /nfs/dbraw/zinc/13/46/73/1072134673.db2.gz TVAWSEPGRIXAGF-KGLIPLIRSA-N 1 2 391.476 -0.155 20 0 GBADLO C[C@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)NC(N)=O ZINC000654776571 1072134669 /nfs/dbraw/zinc/13/46/69/1072134669.db2.gz TVAWSEPGRIXAGF-KGLIPLIRSA-N 1 2 391.476 -0.155 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)NC(N)=O ZINC000654776572 1072134929 /nfs/dbraw/zinc/13/49/29/1072134929.db2.gz TVAWSEPGRIXAGF-UONOGXRCSA-N 1 2 391.476 -0.155 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)NC(N)=O ZINC000654776572 1072134923 /nfs/dbraw/zinc/13/49/23/1072134923.db2.gz TVAWSEPGRIXAGF-UONOGXRCSA-N 1 2 391.476 -0.155 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)NC(N)=O ZINC000654776573 1072134870 /nfs/dbraw/zinc/13/48/70/1072134870.db2.gz TVAWSEPGRIXAGF-ZIAGYGMSSA-N 1 2 391.476 -0.155 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)NC(N)=O ZINC000654776573 1072134867 /nfs/dbraw/zinc/13/48/67/1072134867.db2.gz TVAWSEPGRIXAGF-ZIAGYGMSSA-N 1 2 391.476 -0.155 20 0 GBADLO O=C(C[N@H+]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1)N1CCCC1 ZINC000654780210 1072135453 /nfs/dbraw/zinc/13/54/53/1072135453.db2.gz QLULNEYQZNXILM-UHFFFAOYSA-N 1 2 384.444 -0.172 20 0 GBADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1)N1CCCC1 ZINC000654780210 1072135440 /nfs/dbraw/zinc/13/54/40/1072135440.db2.gz QLULNEYQZNXILM-UHFFFAOYSA-N 1 2 384.444 -0.172 20 0 GBADLO CS(=O)(=O)c1nccc(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC000654799569 1072136797 /nfs/dbraw/zinc/13/67/97/1072136797.db2.gz RIIPVHAZPLTRHE-CYBMUJFWSA-N 1 2 383.474 -0.984 20 0 GBADLO CS(=O)(=O)c1nccc(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC000654799570 1072136904 /nfs/dbraw/zinc/13/69/04/1072136904.db2.gz RIIPVHAZPLTRHE-ZDUSSCGKSA-N 1 2 383.474 -0.984 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(n1)OCCO2 ZINC000654805156 1072137770 /nfs/dbraw/zinc/13/77/70/1072137770.db2.gz GZHIMYZGSBORFG-CYBMUJFWSA-N 1 2 376.413 -0.484 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(n1)OCCO2 ZINC000654805157 1072137857 /nfs/dbraw/zinc/13/78/57/1072137857.db2.gz GZHIMYZGSBORFG-ZDUSSCGKSA-N 1 2 376.413 -0.484 20 0 GBADLO CC(C)Oc1cncc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000654814266 1072138258 /nfs/dbraw/zinc/13/82/58/1072138258.db2.gz UOZZEHBJRUSJQN-CYBMUJFWSA-N 1 2 381.433 -0.646 20 0 GBADLO CC(C)Oc1cncc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000654814267 1072138353 /nfs/dbraw/zinc/13/83/53/1072138353.db2.gz UOZZEHBJRUSJQN-ZDUSSCGKSA-N 1 2 381.433 -0.646 20 0 GBADLO C[C@H](CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)NC(N)=O ZINC000654821019 1072139038 /nfs/dbraw/zinc/13/90/38/1072139038.db2.gz BCXPZPSIMVCATC-CYBMUJFWSA-N 1 2 377.449 -0.591 20 0 GBADLO C[C@H](CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)NC(N)=O ZINC000654821019 1072139033 /nfs/dbraw/zinc/13/90/33/1072139033.db2.gz BCXPZPSIMVCATC-CYBMUJFWSA-N 1 2 377.449 -0.591 20 0 GBADLO C[C@@H](CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)NC(N)=O ZINC000654821020 1072138995 /nfs/dbraw/zinc/13/89/95/1072138995.db2.gz BCXPZPSIMVCATC-ZDUSSCGKSA-N 1 2 377.449 -0.591 20 0 GBADLO C[C@@H](CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)NC(N)=O ZINC000654821020 1072138994 /nfs/dbraw/zinc/13/89/94/1072138994.db2.gz BCXPZPSIMVCATC-ZDUSSCGKSA-N 1 2 377.449 -0.591 20 0 GBADLO CO[C@](C)(CO)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000654863429 1072141963 /nfs/dbraw/zinc/14/19/63/1072141963.db2.gz BVEPODYGVWNAKL-IBGZPJMESA-N 1 2 392.456 -0.474 20 0 GBADLO CO[C@@](C)(CO)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000654863430 1072142025 /nfs/dbraw/zinc/14/20/25/1072142025.db2.gz BVEPODYGVWNAKL-LJQANCHMSA-N 1 2 392.456 -0.474 20 0 GBADLO CO[C@](C)(CO)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000654864488 1072142144 /nfs/dbraw/zinc/14/21/44/1072142144.db2.gz ARIQNGFSAAFAFS-IBGZPJMESA-N 1 2 378.473 -0.114 20 0 GBADLO CO[C@@](C)(CO)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000654864489 1072141993 /nfs/dbraw/zinc/14/19/93/1072141993.db2.gz ARIQNGFSAAFAFS-LJQANCHMSA-N 1 2 378.473 -0.114 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000654873248 530109028 /nfs/dbraw/zinc/10/90/28/530109028.db2.gz DXQALINAPUIQQR-HNNXBMFYSA-N 1 2 377.507 -0.800 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000654873249 530108819 /nfs/dbraw/zinc/10/88/19/530108819.db2.gz DXQALINAPUIQQR-OAHLLOKOSA-N 1 2 377.507 -0.800 20 0 GBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCn3nncc3C2)CC1 ZINC000654877942 1072145016 /nfs/dbraw/zinc/14/50/16/1072145016.db2.gz TVOQXNRKKPBBAU-UHFFFAOYSA-N 1 2 397.439 -0.353 20 0 GBADLO COc1ncc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(N)=O ZINC000654884903 1072145057 /nfs/dbraw/zinc/14/50/57/1072145057.db2.gz ARBMTRPLAAISAX-SDDRHHMPSA-N 1 2 393.444 -0.259 20 0 GBADLO COc1ncc(NC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(N)=O ZINC000654884903 1072145055 /nfs/dbraw/zinc/14/50/55/1072145055.db2.gz ARBMTRPLAAISAX-SDDRHHMPSA-N 1 2 393.444 -0.259 20 0 GBADLO COc1ncc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(N)=O ZINC000654884905 1072144796 /nfs/dbraw/zinc/14/47/96/1072144796.db2.gz ARBMTRPLAAISAX-UTUOFQBUSA-N 1 2 393.444 -0.259 20 0 GBADLO COc1ncc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(N)=O ZINC000654884905 1072144790 /nfs/dbraw/zinc/14/47/90/1072144790.db2.gz ARBMTRPLAAISAX-UTUOFQBUSA-N 1 2 393.444 -0.259 20 0 GBADLO C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885377 1072145750 /nfs/dbraw/zinc/14/57/50/1072145750.db2.gz KDIGESPQIMPBFK-MCIONIFRSA-N 1 2 394.476 -0.476 20 0 GBADLO C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885377 1072145745 /nfs/dbraw/zinc/14/57/45/1072145745.db2.gz KDIGESPQIMPBFK-MCIONIFRSA-N 1 2 394.476 -0.476 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885378 1072145556 /nfs/dbraw/zinc/14/55/56/1072145556.db2.gz KDIGESPQIMPBFK-MELADBBJSA-N 1 2 394.476 -0.476 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885378 1072145553 /nfs/dbraw/zinc/14/55/53/1072145553.db2.gz KDIGESPQIMPBFK-MELADBBJSA-N 1 2 394.476 -0.476 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885412 1072146281 /nfs/dbraw/zinc/14/62/81/1072146281.db2.gz KZHKNTUHYBKHNV-RWMBFGLXSA-N 1 2 398.485 -0.114 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885412 1072146280 /nfs/dbraw/zinc/14/62/80/1072146280.db2.gz KZHKNTUHYBKHNV-RWMBFGLXSA-N 1 2 398.485 -0.114 20 0 GBADLO C[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885413 1072146261 /nfs/dbraw/zinc/14/62/61/1072146261.db2.gz KZHKNTUHYBKHNV-UPJWGTAASA-N 1 2 398.485 -0.114 20 0 GBADLO C[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885413 1072146259 /nfs/dbraw/zinc/14/62/59/1072146259.db2.gz KZHKNTUHYBKHNV-UPJWGTAASA-N 1 2 398.485 -0.114 20 0 GBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000654885554 1072145468 /nfs/dbraw/zinc/14/54/68/1072145468.db2.gz OYMZMLSCLPJPOW-MCIONIFRSA-N 1 2 394.476 -0.510 20 0 GBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000654885554 1072145463 /nfs/dbraw/zinc/14/54/63/1072145463.db2.gz OYMZMLSCLPJPOW-MCIONIFRSA-N 1 2 394.476 -0.510 20 0 GBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000654885555 1072145722 /nfs/dbraw/zinc/14/57/22/1072145722.db2.gz OYMZMLSCLPJPOW-MELADBBJSA-N 1 2 394.476 -0.510 20 0 GBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000654885555 1072145718 /nfs/dbraw/zinc/14/57/18/1072145718.db2.gz OYMZMLSCLPJPOW-MELADBBJSA-N 1 2 394.476 -0.510 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000654885819 1072144619 /nfs/dbraw/zinc/14/46/19/1072144619.db2.gz VTDTVPCXJNJUOZ-UPJWGTAASA-N 1 2 380.449 -0.819 20 0 GBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000654885819 1072144612 /nfs/dbraw/zinc/14/46/12/1072144612.db2.gz VTDTVPCXJNJUOZ-UPJWGTAASA-N 1 2 380.449 -0.819 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885825 1072145654 /nfs/dbraw/zinc/14/56/54/1072145654.db2.gz WGNGBFVZPWPCEN-RWMBFGLXSA-N 1 2 398.485 -0.114 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885825 1072145651 /nfs/dbraw/zinc/14/56/51/1072145651.db2.gz WGNGBFVZPWPCEN-RWMBFGLXSA-N 1 2 398.485 -0.114 20 0 GBADLO C[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885826 1072145640 /nfs/dbraw/zinc/14/56/40/1072145640.db2.gz WGNGBFVZPWPCEN-UPJWGTAASA-N 1 2 398.485 -0.114 20 0 GBADLO C[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885826 1072145637 /nfs/dbraw/zinc/14/56/37/1072145637.db2.gz WGNGBFVZPWPCEN-UPJWGTAASA-N 1 2 398.485 -0.114 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885828 1072145692 /nfs/dbraw/zinc/14/56/92/1072145692.db2.gz WJFKTRQXKGMZDT-MELADBBJSA-N 1 2 394.476 -0.476 20 0 GBADLO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654885828 1072145689 /nfs/dbraw/zinc/14/56/89/1072145689.db2.gz WJFKTRQXKGMZDT-MELADBBJSA-N 1 2 394.476 -0.476 20 0 GBADLO CS(=O)(=O)N1CCC(CC(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000654928309 530109885 /nfs/dbraw/zinc/10/98/85/530109885.db2.gz JXXFVPTWMCTZPL-UHFFFAOYSA-N 1 2 377.507 -0.799 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc1Cl ZINC000654928352 530110087 /nfs/dbraw/zinc/11/00/87/530110087.db2.gz MIBNNZOKNFEVDU-UHFFFAOYSA-N 1 2 391.877 -0.246 20 0 GBADLO C[C@@H]1[C@H](O)CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000655056935 1072172504 /nfs/dbraw/zinc/17/25/04/1072172504.db2.gz JJBXGTGTWHXGSY-HUUCEWRRSA-N 1 2 397.501 -0.302 20 0 GBADLO CN1C(=O)C[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1=O ZINC000655061465 1072173254 /nfs/dbraw/zinc/17/32/54/1072173254.db2.gz AOEARODLWSVEMG-KBPBESRZSA-N 1 2 375.429 -0.109 20 0 GBADLO CN1C(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1=O ZINC000655061465 1072173248 /nfs/dbraw/zinc/17/32/48/1072173248.db2.gz AOEARODLWSVEMG-KBPBESRZSA-N 1 2 375.429 -0.109 20 0 GBADLO CN1C(=O)C[C@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1=O ZINC000655061473 1072173436 /nfs/dbraw/zinc/17/34/36/1072173436.db2.gz AOEARODLWSVEMG-KGLIPLIRSA-N 1 2 375.429 -0.109 20 0 GBADLO CN1C(=O)C[C@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1=O ZINC000655061473 1072173432 /nfs/dbraw/zinc/17/34/32/1072173432.db2.gz AOEARODLWSVEMG-KGLIPLIRSA-N 1 2 375.429 -0.109 20 0 GBADLO CN1C(=O)C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1=O ZINC000655061475 1072173605 /nfs/dbraw/zinc/17/36/05/1072173605.db2.gz AOEARODLWSVEMG-UONOGXRCSA-N 1 2 375.429 -0.109 20 0 GBADLO CN1C(=O)C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1=O ZINC000655061475 1072173597 /nfs/dbraw/zinc/17/35/97/1072173597.db2.gz AOEARODLWSVEMG-UONOGXRCSA-N 1 2 375.429 -0.109 20 0 GBADLO CN1C(=O)C[C@@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1=O ZINC000655061477 1072173702 /nfs/dbraw/zinc/17/37/02/1072173702.db2.gz AOEARODLWSVEMG-ZIAGYGMSSA-N 1 2 375.429 -0.109 20 0 GBADLO CN1C(=O)C[C@@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1=O ZINC000655061477 1072173696 /nfs/dbraw/zinc/17/36/96/1072173696.db2.gz AOEARODLWSVEMG-ZIAGYGMSSA-N 1 2 375.429 -0.109 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cnc2C)CC1 ZINC000655166775 1072187444 /nfs/dbraw/zinc/18/74/44/1072187444.db2.gz LASGZKDMQDIGDI-UHFFFAOYSA-N 1 2 386.474 -0.542 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000655167099 1072187710 /nfs/dbraw/zinc/18/77/10/1072187710.db2.gz RHLUYXQGRVHGDJ-UHFFFAOYSA-N 1 2 391.534 -0.145 20 0 GBADLO C[C@@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241819 1072264524 /nfs/dbraw/zinc/26/45/24/1072264524.db2.gz RQPDZQVPHLGCEA-RWMBFGLXSA-N 1 2 379.465 -0.482 20 0 GBADLO C[C@@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241819 1072264513 /nfs/dbraw/zinc/26/45/13/1072264513.db2.gz RQPDZQVPHLGCEA-RWMBFGLXSA-N 1 2 379.465 -0.482 20 0 GBADLO C[C@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241820 1072265072 /nfs/dbraw/zinc/26/50/72/1072265072.db2.gz RQPDZQVPHLGCEA-UPJWGTAASA-N 1 2 379.465 -0.482 20 0 GBADLO C[C@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241820 1072265061 /nfs/dbraw/zinc/26/50/61/1072265061.db2.gz RQPDZQVPHLGCEA-UPJWGTAASA-N 1 2 379.465 -0.482 20 0 GBADLO CC(C)(C)n1nnc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000655252570 1072309951 /nfs/dbraw/zinc/30/99/51/1072309951.db2.gz XNAZJAFUQAKXLS-CYBMUJFWSA-N 1 2 379.465 -0.775 20 0 GBADLO CC(C)(C)n1nnc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000655252571 1072310057 /nfs/dbraw/zinc/31/00/57/1072310057.db2.gz XNAZJAFUQAKXLS-ZDUSSCGKSA-N 1 2 379.465 -0.775 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2nncn2C)CC1 ZINC000655286211 1072199138 /nfs/dbraw/zinc/19/91/38/1072199138.db2.gz FZVMSWUXCDXLCP-HNNXBMFYSA-N 1 2 388.476 -0.040 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2nncn2C)CC1 ZINC000655286211 1072199128 /nfs/dbraw/zinc/19/91/28/1072199128.db2.gz FZVMSWUXCDXLCP-HNNXBMFYSA-N 1 2 388.476 -0.040 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2nncn2C)CC1 ZINC000655286212 1072198847 /nfs/dbraw/zinc/19/88/47/1072198847.db2.gz FZVMSWUXCDXLCP-OAHLLOKOSA-N 1 2 388.476 -0.040 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2nncn2C)CC1 ZINC000655286212 1072198840 /nfs/dbraw/zinc/19/88/40/1072198840.db2.gz FZVMSWUXCDXLCP-OAHLLOKOSA-N 1 2 388.476 -0.040 20 0 GBADLO Cc1c[nH+]c2cc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)ccn12 ZINC000655390455 1072222255 /nfs/dbraw/zinc/22/22/55/1072222255.db2.gz DKPWWRXYMOQEEP-CABCVRRESA-N 1 2 378.454 -0.442 20 0 GBADLO Cc1c[nH+]c2cc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)ccn12 ZINC000655390456 1072222446 /nfs/dbraw/zinc/22/24/46/1072222446.db2.gz DKPWWRXYMOQEEP-GJZGRUSLSA-N 1 2 378.454 -0.442 20 0 GBADLO Cc1c[nH+]c2cc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)ccn12 ZINC000655390457 1072222701 /nfs/dbraw/zinc/22/27/01/1072222701.db2.gz DKPWWRXYMOQEEP-HUUCEWRRSA-N 1 2 378.454 -0.442 20 0 GBADLO Cc1c[nH+]c2cc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)ccn12 ZINC000655390458 1072222172 /nfs/dbraw/zinc/22/21/72/1072222172.db2.gz DKPWWRXYMOQEEP-LSDHHAIUSA-N 1 2 378.454 -0.442 20 0 GBADLO CC(C)(C)n1nnc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)n1 ZINC000655493287 1072238755 /nfs/dbraw/zinc/23/87/55/1072238755.db2.gz LWEIBBTVBZAAPZ-UHFFFAOYSA-N 1 2 379.421 -0.559 20 0 GBADLO Cn1c2ccccc2cc1S(=O)(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000655583253 1072287927 /nfs/dbraw/zinc/28/79/27/1072287927.db2.gz FFGDNYWEYWHXAR-AWEZNQCLSA-N 1 2 380.470 -0.015 20 0 GBADLO Cn1c2ccccc2cc1S(=O)(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000655583253 1072287921 /nfs/dbraw/zinc/28/79/21/1072287921.db2.gz FFGDNYWEYWHXAR-AWEZNQCLSA-N 1 2 380.470 -0.015 20 0 GBADLO Cn1c2ccccc2cc1S(=O)(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000655583255 1072287789 /nfs/dbraw/zinc/28/77/89/1072287789.db2.gz FFGDNYWEYWHXAR-CQSZACIVSA-N 1 2 380.470 -0.015 20 0 GBADLO Cn1c2ccccc2cc1S(=O)(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000655583255 1072287780 /nfs/dbraw/zinc/28/77/80/1072287780.db2.gz FFGDNYWEYWHXAR-CQSZACIVSA-N 1 2 380.470 -0.015 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)N2CCCOCC2)CC1 ZINC000655610918 530281640 /nfs/dbraw/zinc/28/16/40/530281640.db2.gz JEXUKVLEGSISES-UHFFFAOYSA-N 1 2 376.523 -0.124 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)[C@@H]2COC[C@@H]2OC)CC1 ZINC000655611115 530281486 /nfs/dbraw/zinc/28/14/86/530281486.db2.gz WYRGKAONGXLLTF-LSDHHAIUSA-N 1 2 377.507 -0.348 20 0 GBADLO COCCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000655617917 530281576 /nfs/dbraw/zinc/28/15/76/530281576.db2.gz ZTTVFFQWVHPYQY-GFCCVEGCSA-N 1 2 378.413 -0.090 20 0 GBADLO COCCN(C[C@H](O)C(F)(F)F)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000655617921 530281456 /nfs/dbraw/zinc/28/14/56/530281456.db2.gz ZTTVFFQWVHPYQY-LBPRGKRZSA-N 1 2 378.413 -0.090 20 0 GBADLO C[C@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638863 530282632 /nfs/dbraw/zinc/28/26/32/530282632.db2.gz ICEPIQPATFPAHE-MCIONIFRSA-N 1 2 385.552 -0.315 20 0 GBADLO C[C@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638863 530282629 /nfs/dbraw/zinc/28/26/29/530282629.db2.gz ICEPIQPATFPAHE-MCIONIFRSA-N 1 2 385.552 -0.315 20 0 GBADLO C[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638864 530282677 /nfs/dbraw/zinc/28/26/77/530282677.db2.gz ICEPIQPATFPAHE-MELADBBJSA-N 1 2 385.552 -0.315 20 0 GBADLO C[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638864 530282676 /nfs/dbraw/zinc/28/26/76/530282676.db2.gz ICEPIQPATFPAHE-MELADBBJSA-N 1 2 385.552 -0.315 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000655648877 530283143 /nfs/dbraw/zinc/28/31/43/530283143.db2.gz MIWCTRKSAIKGHL-NWDGAFQWSA-N 1 2 393.462 -0.363 20 0 GBADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000655648877 530283141 /nfs/dbraw/zinc/28/31/41/530283141.db2.gz MIWCTRKSAIKGHL-NWDGAFQWSA-N 1 2 393.462 -0.363 20 0 GBADLO Cc1nn(Cc2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)c(=O)n1C ZINC000655988176 1072356189 /nfs/dbraw/zinc/35/61/89/1072356189.db2.gz QCAWUJZLMYGCPD-UHFFFAOYSA-N 1 2 398.427 -0.229 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656058898 1072395688 /nfs/dbraw/zinc/39/56/88/1072395688.db2.gz FRJKKFWJDFEZBF-HRCADAONSA-N 1 2 390.488 -0.261 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656058898 1072395677 /nfs/dbraw/zinc/39/56/77/1072395677.db2.gz FRJKKFWJDFEZBF-HRCADAONSA-N 1 2 390.488 -0.261 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656058899 1072394446 /nfs/dbraw/zinc/39/44/46/1072394446.db2.gz FRJKKFWJDFEZBF-OAGGEKHMSA-N 1 2 390.488 -0.261 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656058899 1072394437 /nfs/dbraw/zinc/39/44/37/1072394437.db2.gz FRJKKFWJDFEZBF-OAGGEKHMSA-N 1 2 390.488 -0.261 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000656058970 1072394310 /nfs/dbraw/zinc/39/43/10/1072394310.db2.gz JFPICWKYBMFXCL-UHFFFAOYSA-N 1 2 384.444 -0.793 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656059807 1072395515 /nfs/dbraw/zinc/39/55/15/1072395515.db2.gz GIYAZNZXDVZCDY-BDXSIMOUSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656059807 1072395509 /nfs/dbraw/zinc/39/55/09/1072395509.db2.gz GIYAZNZXDVZCDY-BDXSIMOUSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656059807 1072395501 /nfs/dbraw/zinc/39/55/01/1072395501.db2.gz GIYAZNZXDVZCDY-BDXSIMOUSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656059808 1072395902 /nfs/dbraw/zinc/39/59/02/1072395902.db2.gz GIYAZNZXDVZCDY-FJIDUMEYSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656059808 1072395899 /nfs/dbraw/zinc/39/58/99/1072395899.db2.gz GIYAZNZXDVZCDY-FJIDUMEYSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656059808 1072395892 /nfs/dbraw/zinc/39/58/92/1072395892.db2.gz GIYAZNZXDVZCDY-FJIDUMEYSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656059809 1072395001 /nfs/dbraw/zinc/39/50/01/1072395001.db2.gz GIYAZNZXDVZCDY-WNRNVDISSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656059809 1072394993 /nfs/dbraw/zinc/39/49/93/1072394993.db2.gz GIYAZNZXDVZCDY-WNRNVDISSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656059809 1072394987 /nfs/dbraw/zinc/39/49/87/1072394987.db2.gz GIYAZNZXDVZCDY-WNRNVDISSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656059810 1072395868 /nfs/dbraw/zinc/39/58/68/1072395868.db2.gz GIYAZNZXDVZCDY-ZJPYXAASSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656059810 1072395858 /nfs/dbraw/zinc/39/58/58/1072395858.db2.gz GIYAZNZXDVZCDY-ZJPYXAASSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656059810 1072395848 /nfs/dbraw/zinc/39/58/48/1072395848.db2.gz GIYAZNZXDVZCDY-ZJPYXAASSA-N 1 2 396.532 -0.077 20 0 GBADLO CC(C)(C)n1nnc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000656060100 1072396704 /nfs/dbraw/zinc/39/67/04/1072396704.db2.gz POZJZAISCUPBEF-CYBMUJFWSA-N 1 2 379.465 -0.633 20 0 GBADLO CC(C)(C)n1nnc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000656060101 1072396673 /nfs/dbraw/zinc/39/66/73/1072396673.db2.gz POZJZAISCUPBEF-ZDUSSCGKSA-N 1 2 379.465 -0.633 20 0 GBADLO CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656060473 1072396485 /nfs/dbraw/zinc/39/64/85/1072396485.db2.gz YAEUEYZUQNWALL-HRCADAONSA-N 1 2 382.505 -0.073 20 0 GBADLO CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656060473 1072396479 /nfs/dbraw/zinc/39/64/79/1072396479.db2.gz YAEUEYZUQNWALL-HRCADAONSA-N 1 2 382.505 -0.073 20 0 GBADLO CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656060474 1072396327 /nfs/dbraw/zinc/39/63/27/1072396327.db2.gz YAEUEYZUQNWALL-OAGGEKHMSA-N 1 2 382.505 -0.073 20 0 GBADLO CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656060474 1072396316 /nfs/dbraw/zinc/39/63/16/1072396316.db2.gz YAEUEYZUQNWALL-OAGGEKHMSA-N 1 2 382.505 -0.073 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000656060983 1072396382 /nfs/dbraw/zinc/39/63/82/1072396382.db2.gz WDCDGKPLGOMLQJ-KRWDZBQOSA-N 1 2 397.483 -0.021 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000656060983 1072396376 /nfs/dbraw/zinc/39/63/76/1072396376.db2.gz WDCDGKPLGOMLQJ-KRWDZBQOSA-N 1 2 397.483 -0.021 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000656060984 1072396691 /nfs/dbraw/zinc/39/66/91/1072396691.db2.gz WDCDGKPLGOMLQJ-QGZVFWFLSA-N 1 2 397.483 -0.021 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000656060984 1072396683 /nfs/dbraw/zinc/39/66/83/1072396683.db2.gz WDCDGKPLGOMLQJ-QGZVFWFLSA-N 1 2 397.483 -0.021 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCC(Oc3ncc(C)cn3)CC2)CC1 ZINC000656062091 1072396593 /nfs/dbraw/zinc/39/65/93/1072396593.db2.gz GYYXQKRZZHOLCT-UHFFFAOYSA-N 1 2 391.472 -0.055 20 0 GBADLO COCC1(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000656062377 1072397423 /nfs/dbraw/zinc/39/74/23/1072397423.db2.gz MJOIIGUWBBWOOM-UHFFFAOYSA-N 1 2 387.444 -0.445 20 0 GBADLO CCOCCN1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656062688 1072397786 /nfs/dbraw/zinc/39/77/86/1072397786.db2.gz MSMXIHNPTGDHFS-YESZJQIVSA-N 1 2 384.521 -0.219 20 0 GBADLO CCOCCN1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656062688 1072397779 /nfs/dbraw/zinc/39/77/79/1072397779.db2.gz MSMXIHNPTGDHFS-YESZJQIVSA-N 1 2 384.521 -0.219 20 0 GBADLO CCOCCN1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656062689 1072397858 /nfs/dbraw/zinc/39/78/58/1072397858.db2.gz MSMXIHNPTGDHFS-ZACQAIPSSA-N 1 2 384.521 -0.219 20 0 GBADLO CCOCCN1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656062689 1072397851 /nfs/dbraw/zinc/39/78/51/1072397851.db2.gz MSMXIHNPTGDHFS-ZACQAIPSSA-N 1 2 384.521 -0.219 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC2(COC)CC2)CC1 ZINC000656062721 1072397628 /nfs/dbraw/zinc/39/76/28/1072397628.db2.gz NSCXRAKEYGNSAI-UHFFFAOYSA-N 1 2 382.505 -0.068 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC2(COC)CC2)CC1 ZINC000656062721 1072397622 /nfs/dbraw/zinc/39/76/22/1072397622.db2.gz NSCXRAKEYGNSAI-UHFFFAOYSA-N 1 2 382.505 -0.068 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063654 1072398270 /nfs/dbraw/zinc/39/82/70/1072398270.db2.gz JKYKCMAKHZJUMQ-HRCADAONSA-N 1 2 390.488 -0.261 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063654 1072398264 /nfs/dbraw/zinc/39/82/64/1072398264.db2.gz JKYKCMAKHZJUMQ-HRCADAONSA-N 1 2 390.488 -0.261 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063655 1072398228 /nfs/dbraw/zinc/39/82/28/1072398228.db2.gz JKYKCMAKHZJUMQ-OAGGEKHMSA-N 1 2 390.488 -0.261 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656063655 1072398224 /nfs/dbraw/zinc/39/82/24/1072398224.db2.gz JKYKCMAKHZJUMQ-OAGGEKHMSA-N 1 2 390.488 -0.261 20 0 GBADLO CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656067456 1072400641 /nfs/dbraw/zinc/40/06/41/1072400641.db2.gz RGVHZWIIWSVVIR-AIANPOQGSA-N 1 2 382.505 -0.025 20 0 GBADLO CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656067456 1072400635 /nfs/dbraw/zinc/40/06/35/1072400635.db2.gz RGVHZWIIWSVVIR-AIANPOQGSA-N 1 2 382.505 -0.025 20 0 GBADLO CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656067457 1072400476 /nfs/dbraw/zinc/40/04/76/1072400476.db2.gz RGVHZWIIWSVVIR-LJIGWXMPSA-N 1 2 382.505 -0.025 20 0 GBADLO CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656067457 1072400474 /nfs/dbraw/zinc/40/04/74/1072400474.db2.gz RGVHZWIIWSVVIR-LJIGWXMPSA-N 1 2 382.505 -0.025 20 0 GBADLO CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656067459 1072400835 /nfs/dbraw/zinc/40/08/35/1072400835.db2.gz RGVHZWIIWSVVIR-MPTYRVRUSA-N 1 2 382.505 -0.025 20 0 GBADLO CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656067459 1072400832 /nfs/dbraw/zinc/40/08/32/1072400832.db2.gz RGVHZWIIWSVVIR-MPTYRVRUSA-N 1 2 382.505 -0.025 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656068176 1072401871 /nfs/dbraw/zinc/40/18/71/1072401871.db2.gz QUFDNXGNCWLHIA-IBEHDNSVSA-N 1 2 380.489 -0.130 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656068176 1072401865 /nfs/dbraw/zinc/40/18/65/1072401865.db2.gz QUFDNXGNCWLHIA-IBEHDNSVSA-N 1 2 380.489 -0.130 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656068179 1072401737 /nfs/dbraw/zinc/40/17/37/1072401737.db2.gz QUFDNXGNCWLHIA-RBGFHDKUSA-N 1 2 380.489 -0.130 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656068179 1072401729 /nfs/dbraw/zinc/40/17/29/1072401729.db2.gz QUFDNXGNCWLHIA-RBGFHDKUSA-N 1 2 380.489 -0.130 20 0 GBADLO CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000656070054 1072401687 /nfs/dbraw/zinc/40/16/87/1072401687.db2.gz YMWOFVVHAWUSFK-AWEZNQCLSA-N 1 2 393.492 -0.242 20 0 GBADLO CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000656070055 1072402679 /nfs/dbraw/zinc/40/26/79/1072402679.db2.gz YMWOFVVHAWUSFK-CQSZACIVSA-N 1 2 393.492 -0.242 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C[C@H](C)O1 ZINC000656073990 1072403255 /nfs/dbraw/zinc/40/32/55/1072403255.db2.gz VGOWYVCYCYWCOA-BETUJISGSA-N 1 2 381.481 -0.388 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C[C@H](C)O1 ZINC000656073990 1072403248 /nfs/dbraw/zinc/40/32/48/1072403248.db2.gz VGOWYVCYCYWCOA-BETUJISGSA-N 1 2 381.481 -0.388 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@H](C)O1 ZINC000656074184 1072404271 /nfs/dbraw/zinc/40/42/71/1072404271.db2.gz WZIAKDVMNJBOHR-GASCZTMLSA-N 1 2 393.492 -0.969 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@H](C)O1 ZINC000656074184 1072404267 /nfs/dbraw/zinc/40/42/67/1072404267.db2.gz WZIAKDVMNJBOHR-GASCZTMLSA-N 1 2 393.492 -0.969 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656074665 1072404087 /nfs/dbraw/zinc/40/40/87/1072404087.db2.gz UUVGJDHZSJXLML-BDXSIMOUSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656074665 1072404083 /nfs/dbraw/zinc/40/40/83/1072404083.db2.gz UUVGJDHZSJXLML-BDXSIMOUSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656074666 1072404378 /nfs/dbraw/zinc/40/43/78/1072404378.db2.gz UUVGJDHZSJXLML-FJIDUMEYSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656074666 1072404373 /nfs/dbraw/zinc/40/43/73/1072404373.db2.gz UUVGJDHZSJXLML-FJIDUMEYSA-N 1 2 396.532 -0.077 20 0 GBADLO Cc1cnc(CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000656075233 1072404585 /nfs/dbraw/zinc/40/45/85/1072404585.db2.gz FVUNHTQMRHUBLU-INIZCTEOSA-N 1 2 378.473 -0.491 20 0 GBADLO Cc1cnc(CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000656075234 1072404468 /nfs/dbraw/zinc/40/44/68/1072404468.db2.gz FVUNHTQMRHUBLU-MRXNPFEDSA-N 1 2 378.473 -0.491 20 0 GBADLO COCCc1noc(CN(C)C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000656075273 1072404332 /nfs/dbraw/zinc/40/43/32/1072404332.db2.gz HJRLOVUYHLPFEF-MCIONIFRSA-N 1 2 397.476 -0.169 20 0 GBADLO COCCc1noc(CN(C)C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000656075273 1072404328 /nfs/dbraw/zinc/40/43/28/1072404328.db2.gz HJRLOVUYHLPFEF-MCIONIFRSA-N 1 2 397.476 -0.169 20 0 GBADLO COCCc1noc(CN(C)C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000656075274 1072404562 /nfs/dbraw/zinc/40/45/62/1072404562.db2.gz HJRLOVUYHLPFEF-MELADBBJSA-N 1 2 397.476 -0.169 20 0 GBADLO COCCc1noc(CN(C)C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000656075274 1072404560 /nfs/dbraw/zinc/40/45/60/1072404560.db2.gz HJRLOVUYHLPFEF-MELADBBJSA-N 1 2 397.476 -0.169 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)CC1 ZINC000656075487 1072404458 /nfs/dbraw/zinc/40/44/58/1072404458.db2.gz MDDFICHMWUDXDF-UHFFFAOYSA-N 1 2 393.492 -0.967 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000656075575 1072403496 /nfs/dbraw/zinc/40/34/96/1072403496.db2.gz OKKWNRIDILXXLR-OAHLLOKOSA-N 1 2 385.428 -0.461 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000656075749 1072404575 /nfs/dbraw/zinc/40/45/75/1072404575.db2.gz UNHHOKGQUIECRL-UHFFFAOYSA-N 1 2 381.481 -0.387 20 0 GBADLO CC(C)CN1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656078331 1072405524 /nfs/dbraw/zinc/40/55/24/1072405524.db2.gz JNKQYSPARLHUCX-HRCADAONSA-N 1 2 382.505 -0.073 20 0 GBADLO CC(C)CN1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656078331 1072405520 /nfs/dbraw/zinc/40/55/20/1072405520.db2.gz JNKQYSPARLHUCX-HRCADAONSA-N 1 2 382.505 -0.073 20 0 GBADLO CC(C)CN1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656078332 1072405356 /nfs/dbraw/zinc/40/53/56/1072405356.db2.gz JNKQYSPARLHUCX-OAGGEKHMSA-N 1 2 382.505 -0.073 20 0 GBADLO CC(C)CN1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656078332 1072405349 /nfs/dbraw/zinc/40/53/49/1072405349.db2.gz JNKQYSPARLHUCX-OAGGEKHMSA-N 1 2 382.505 -0.073 20 0 GBADLO COC1(CO)CCN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000656078545 1072405445 /nfs/dbraw/zinc/40/54/45/1072405445.db2.gz MNVITQKFHLCDIP-UHFFFAOYSA-N 1 2 377.445 -0.566 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCC(OCCCO)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656079361 1072406169 /nfs/dbraw/zinc/40/61/69/1072406169.db2.gz UHLZOBAVEFMNLZ-HRCADAONSA-N 1 2 385.505 -0.010 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCC(OCCCO)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656079361 1072406167 /nfs/dbraw/zinc/40/61/67/1072406167.db2.gz UHLZOBAVEFMNLZ-HRCADAONSA-N 1 2 385.505 -0.010 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCC(OCCCO)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656079362 1072406332 /nfs/dbraw/zinc/40/63/32/1072406332.db2.gz UHLZOBAVEFMNLZ-OAGGEKHMSA-N 1 2 385.505 -0.010 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCC(OCCCO)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656079362 1072406329 /nfs/dbraw/zinc/40/63/29/1072406329.db2.gz UHLZOBAVEFMNLZ-OAGGEKHMSA-N 1 2 385.505 -0.010 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080460 1072406278 /nfs/dbraw/zinc/40/62/78/1072406278.db2.gz XJJQPAATZFCGHR-AYDFFVQHSA-N 1 2 395.504 -0.337 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080460 1072406270 /nfs/dbraw/zinc/40/62/70/1072406270.db2.gz XJJQPAATZFCGHR-AYDFFVQHSA-N 1 2 395.504 -0.337 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080461 1072406259 /nfs/dbraw/zinc/40/62/59/1072406259.db2.gz XJJQPAATZFCGHR-HGTKMLMNSA-N 1 2 395.504 -0.337 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080461 1072406255 /nfs/dbraw/zinc/40/62/55/1072406255.db2.gz XJJQPAATZFCGHR-HGTKMLMNSA-N 1 2 395.504 -0.337 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080462 1072406573 /nfs/dbraw/zinc/40/65/73/1072406573.db2.gz XJJQPAATZFCGHR-NYTXWWLZSA-N 1 2 395.504 -0.337 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080462 1072406565 /nfs/dbraw/zinc/40/65/65/1072406565.db2.gz XJJQPAATZFCGHR-NYTXWWLZSA-N 1 2 395.504 -0.337 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080463 1072406214 /nfs/dbraw/zinc/40/62/14/1072406214.db2.gz XJJQPAATZFCGHR-TTZDDIAXSA-N 1 2 395.504 -0.337 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080463 1072406211 /nfs/dbraw/zinc/40/62/11/1072406211.db2.gz XJJQPAATZFCGHR-TTZDDIAXSA-N 1 2 395.504 -0.337 20 0 GBADLO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081091 1072407496 /nfs/dbraw/zinc/40/74/96/1072407496.db2.gz ONECBSVEUAVVBJ-LUKYLMHMSA-N 1 2 384.521 -0.221 20 0 GBADLO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081091 1072407488 /nfs/dbraw/zinc/40/74/88/1072407488.db2.gz ONECBSVEUAVVBJ-LUKYLMHMSA-N 1 2 384.521 -0.221 20 0 GBADLO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081094 1072407232 /nfs/dbraw/zinc/40/72/32/1072407232.db2.gz ONECBSVEUAVVBJ-TWMKSMIVSA-N 1 2 384.521 -0.221 20 0 GBADLO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081094 1072407221 /nfs/dbraw/zinc/40/72/21/1072407221.db2.gz ONECBSVEUAVVBJ-TWMKSMIVSA-N 1 2 384.521 -0.221 20 0 GBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081097 1072407746 /nfs/dbraw/zinc/40/77/46/1072407746.db2.gz ONECBSVEUAVVBJ-VQHPVUNQSA-N 1 2 384.521 -0.221 20 0 GBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081097 1072407741 /nfs/dbraw/zinc/40/77/41/1072407741.db2.gz ONECBSVEUAVVBJ-VQHPVUNQSA-N 1 2 384.521 -0.221 20 0 GBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081099 1072407358 /nfs/dbraw/zinc/40/73/58/1072407358.db2.gz ONECBSVEUAVVBJ-VVLHAWIVSA-N 1 2 384.521 -0.221 20 0 GBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081099 1072407353 /nfs/dbraw/zinc/40/73/53/1072407353.db2.gz ONECBSVEUAVVBJ-VVLHAWIVSA-N 1 2 384.521 -0.221 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656081633 1072407475 /nfs/dbraw/zinc/40/74/75/1072407475.db2.gz HPIWRNPOVKBWCY-UHFFFAOYSA-N 1 2 393.492 -0.967 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000656081633 1072407466 /nfs/dbraw/zinc/40/74/66/1072407466.db2.gz HPIWRNPOVKBWCY-UHFFFAOYSA-N 1 2 393.492 -0.967 20 0 GBADLO COCCN1CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656081998 1072408826 /nfs/dbraw/zinc/40/88/26/1072408826.db2.gz BIHBCWXVJKZCJQ-HRCADAONSA-N 1 2 398.504 -0.692 20 0 GBADLO COCCN1CCCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656081998 1072408823 /nfs/dbraw/zinc/40/88/23/1072408823.db2.gz BIHBCWXVJKZCJQ-HRCADAONSA-N 1 2 398.504 -0.692 20 0 GBADLO COCCN1CCCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656081999 1072408427 /nfs/dbraw/zinc/40/84/27/1072408427.db2.gz BIHBCWXVJKZCJQ-OAGGEKHMSA-N 1 2 398.504 -0.692 20 0 GBADLO COCCN1CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656081999 1072408424 /nfs/dbraw/zinc/40/84/24/1072408424.db2.gz BIHBCWXVJKZCJQ-OAGGEKHMSA-N 1 2 398.504 -0.692 20 0 GBADLO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000656082234 1072407384 /nfs/dbraw/zinc/40/73/84/1072407384.db2.gz FCALRJXDSKAUGQ-CABCVRRESA-N 1 2 386.460 -0.230 20 0 GBADLO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000656082235 1072407666 /nfs/dbraw/zinc/40/76/66/1072407666.db2.gz FCALRJXDSKAUGQ-GJZGRUSLSA-N 1 2 386.460 -0.230 20 0 GBADLO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nncn3C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000656082236 1072409298 /nfs/dbraw/zinc/40/92/98/1072409298.db2.gz FCALRJXDSKAUGQ-HUUCEWRRSA-N 1 2 386.460 -0.230 20 0 GBADLO CCn1nccc1CN(CCO)C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656084034 1072408861 /nfs/dbraw/zinc/40/88/61/1072408861.db2.gz DKQRHXICIZUNFL-HRCADAONSA-N 1 2 395.504 -0.162 20 0 GBADLO CCn1nccc1CN(CCO)C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656084034 1072408856 /nfs/dbraw/zinc/40/88/56/1072408856.db2.gz DKQRHXICIZUNFL-HRCADAONSA-N 1 2 395.504 -0.162 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000656084331 1072409702 /nfs/dbraw/zinc/40/97/02/1072409702.db2.gz HDDXDGWIIYNINW-UHFFFAOYSA-N 1 2 397.483 -0.192 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656084410 1072409541 /nfs/dbraw/zinc/40/95/41/1072409541.db2.gz JKYICRDAMBLNSU-SDDRHHMPSA-N 1 2 394.394 -0.209 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656084410 1072409537 /nfs/dbraw/zinc/40/95/37/1072409537.db2.gz JKYICRDAMBLNSU-SDDRHHMPSA-N 1 2 394.394 -0.209 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656084411 1072409500 /nfs/dbraw/zinc/40/95/00/1072409500.db2.gz JKYICRDAMBLNSU-UTUOFQBUSA-N 1 2 394.394 -0.209 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656084411 1072409497 /nfs/dbraw/zinc/40/94/97/1072409497.db2.gz JKYICRDAMBLNSU-UTUOFQBUSA-N 1 2 394.394 -0.209 20 0 GBADLO Cc1cnc(OC2CCN(C(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)CC2)nc1 ZINC000656086651 1072410332 /nfs/dbraw/zinc/41/03/32/1072410332.db2.gz GEYVHZBHEJMVSU-HNNXBMFYSA-N 1 2 391.472 -0.320 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN(c2nncn2C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086717 1072410628 /nfs/dbraw/zinc/41/06/28/1072410628.db2.gz IDCOIOLTKDZUAL-KFWWJZLASA-N 1 2 393.492 -0.922 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN(c2nncn2C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086717 1072410622 /nfs/dbraw/zinc/41/06/22/1072410622.db2.gz IDCOIOLTKDZUAL-KFWWJZLASA-N 1 2 393.492 -0.922 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN(c2nncn2C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086718 1072410547 /nfs/dbraw/zinc/41/05/47/1072410547.db2.gz IDCOIOLTKDZUAL-SOUVJXGZSA-N 1 2 393.492 -0.922 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN(c2nncn2C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086718 1072410543 /nfs/dbraw/zinc/41/05/43/1072410543.db2.gz IDCOIOLTKDZUAL-SOUVJXGZSA-N 1 2 393.492 -0.922 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656087101 1072411090 /nfs/dbraw/zinc/41/10/90/1072411090.db2.gz QZBUVWNRKQQECO-LJIGWXMPSA-N 1 2 393.488 -0.066 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656087101 1072411088 /nfs/dbraw/zinc/41/10/88/1072411088.db2.gz QZBUVWNRKQQECO-LJIGWXMPSA-N 1 2 393.488 -0.066 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656087102 1072411079 /nfs/dbraw/zinc/41/10/79/1072411079.db2.gz QZBUVWNRKQQECO-MPTYRVRUSA-N 1 2 393.488 -0.066 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656087102 1072411076 /nfs/dbraw/zinc/41/10/76/1072411076.db2.gz QZBUVWNRKQQECO-MPTYRVRUSA-N 1 2 393.488 -0.066 20 0 GBADLO C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000656088356 1072411371 /nfs/dbraw/zinc/41/13/71/1072411371.db2.gz YKSZLLIHPYSWKI-GFCCVEGCSA-N 1 2 387.444 -0.616 20 0 GBADLO C[C@H](O)CN(C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000656088357 1072411158 /nfs/dbraw/zinc/41/11/58/1072411158.db2.gz YKSZLLIHPYSWKI-LBPRGKRZSA-N 1 2 387.444 -0.616 20 0 GBADLO COc1cccc(S(=O)(=O)NCC(=O)NCC[NH+]2CCOCC2)c1F ZINC000656183287 530115659 /nfs/dbraw/zinc/11/56/59/530115659.db2.gz SJPNZUOYXFOKCF-UHFFFAOYSA-N 1 2 375.422 -0.439 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656284758 1072485063 /nfs/dbraw/zinc/48/50/63/1072485063.db2.gz YGOMXBSPCOKZFI-HRCADAONSA-N 1 2 384.521 -0.173 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656284758 1072485061 /nfs/dbraw/zinc/48/50/61/1072485061.db2.gz YGOMXBSPCOKZFI-HRCADAONSA-N 1 2 384.521 -0.173 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656284759 1072485186 /nfs/dbraw/zinc/48/51/86/1072485186.db2.gz YGOMXBSPCOKZFI-OAGGEKHMSA-N 1 2 384.521 -0.173 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656284759 1072485182 /nfs/dbraw/zinc/48/51/82/1072485182.db2.gz YGOMXBSPCOKZFI-OAGGEKHMSA-N 1 2 384.521 -0.173 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)[NH+]1CCOCC1 ZINC000656289783 1072490989 /nfs/dbraw/zinc/49/09/89/1072490989.db2.gz PMEDBPYYVVZLOZ-CYBMUJFWSA-N 1 2 381.481 -0.483 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)[NH+]1CCOCC1 ZINC000656289786 1072491426 /nfs/dbraw/zinc/49/14/26/1072491426.db2.gz PMEDBPYYVVZLOZ-ZDUSSCGKSA-N 1 2 381.481 -0.483 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656296039 1072494477 /nfs/dbraw/zinc/49/44/77/1072494477.db2.gz PEZCUFDDPKDADS-KFWWJZLASA-N 1 2 391.472 -0.459 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656296039 1072494472 /nfs/dbraw/zinc/49/44/72/1072494472.db2.gz PEZCUFDDPKDADS-KFWWJZLASA-N 1 2 391.472 -0.459 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656296040 1072494291 /nfs/dbraw/zinc/49/42/91/1072494291.db2.gz PEZCUFDDPKDADS-SOUVJXGZSA-N 1 2 391.472 -0.459 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656296040 1072494289 /nfs/dbraw/zinc/49/42/89/1072494289.db2.gz PEZCUFDDPKDADS-SOUVJXGZSA-N 1 2 391.472 -0.459 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000656298750 1072497327 /nfs/dbraw/zinc/49/73/27/1072497327.db2.gz SOZXXZXMKJFDOM-UHFFFAOYSA-N 1 2 398.471 -0.356 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1nnc2n1CCCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656299833 1072498262 /nfs/dbraw/zinc/49/82/62/1072498262.db2.gz CTQSXMXUNCQLMP-MCIONIFRSA-N 1 2 378.477 -0.156 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1nnc2n1CCCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656299833 1072498258 /nfs/dbraw/zinc/49/82/58/1072498258.db2.gz CTQSXMXUNCQLMP-MCIONIFRSA-N 1 2 378.477 -0.156 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1nnc2n1CCCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656299834 1072498139 /nfs/dbraw/zinc/49/81/39/1072498139.db2.gz CTQSXMXUNCQLMP-MELADBBJSA-N 1 2 378.477 -0.156 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1nnc2n1CCCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656299834 1072498135 /nfs/dbraw/zinc/49/81/35/1072498135.db2.gz CTQSXMXUNCQLMP-MELADBBJSA-N 1 2 378.477 -0.156 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000656300277 1072498354 /nfs/dbraw/zinc/49/83/54/1072498354.db2.gz NODAUBBVMXNFON-UHFFFAOYSA-N 1 2 394.439 -0.034 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000656301588 1072499480 /nfs/dbraw/zinc/49/94/80/1072499480.db2.gz NBPPFZOXYGIRNX-UHFFFAOYSA-N 1 2 383.456 -0.404 20 0 GBADLO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000656308364 1072503431 /nfs/dbraw/zinc/50/34/31/1072503431.db2.gz CWAVBQLICMYVJS-CXTNEJHOSA-N 1 2 378.477 -0.369 20 0 GBADLO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000656308364 1072503420 /nfs/dbraw/zinc/50/34/20/1072503420.db2.gz CWAVBQLICMYVJS-CXTNEJHOSA-N 1 2 378.477 -0.369 20 0 GBADLO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000656308365 1072503115 /nfs/dbraw/zinc/50/31/15/1072503115.db2.gz CWAVBQLICMYVJS-GUIRCDHDSA-N 1 2 378.477 -0.369 20 0 GBADLO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000656308365 1072503110 /nfs/dbraw/zinc/50/31/10/1072503110.db2.gz CWAVBQLICMYVJS-GUIRCDHDSA-N 1 2 378.477 -0.369 20 0 GBADLO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000656308366 1072503495 /nfs/dbraw/zinc/50/34/95/1072503495.db2.gz CWAVBQLICMYVJS-RMRHIDDWSA-N 1 2 378.477 -0.369 20 0 GBADLO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000656308366 1072503486 /nfs/dbraw/zinc/50/34/86/1072503486.db2.gz CWAVBQLICMYVJS-RMRHIDDWSA-N 1 2 378.477 -0.369 20 0 GBADLO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000656308367 1072504123 /nfs/dbraw/zinc/50/41/23/1072504123.db2.gz CWAVBQLICMYVJS-XPCVCDNBSA-N 1 2 378.477 -0.369 20 0 GBADLO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000656308367 1072504114 /nfs/dbraw/zinc/50/41/14/1072504114.db2.gz CWAVBQLICMYVJS-XPCVCDNBSA-N 1 2 378.477 -0.369 20 0 GBADLO CC(=O)N1CCC(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656311025 1072503728 /nfs/dbraw/zinc/50/37/28/1072503728.db2.gz HLDIBUMYTGMJEI-KFWWJZLASA-N 1 2 382.505 -0.025 20 0 GBADLO CC(=O)N1CCC(CNC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656311025 1072503720 /nfs/dbraw/zinc/50/37/20/1072503720.db2.gz HLDIBUMYTGMJEI-KFWWJZLASA-N 1 2 382.505 -0.025 20 0 GBADLO CC(=O)N1CCC(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656311026 1072503465 /nfs/dbraw/zinc/50/34/65/1072503465.db2.gz HLDIBUMYTGMJEI-SOUVJXGZSA-N 1 2 382.505 -0.025 20 0 GBADLO CC(=O)N1CCC(CNC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656311026 1072503455 /nfs/dbraw/zinc/50/34/55/1072503455.db2.gz HLDIBUMYTGMJEI-SOUVJXGZSA-N 1 2 382.505 -0.025 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656311695 1072504536 /nfs/dbraw/zinc/50/45/36/1072504536.db2.gz OBFGLNMFWVHRHU-KSWRQPAISA-N 1 2 384.521 -0.174 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656311695 1072504525 /nfs/dbraw/zinc/50/45/25/1072504525.db2.gz OBFGLNMFWVHRHU-KSWRQPAISA-N 1 2 384.521 -0.174 20 0 GBADLO C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCOCC1 ZINC000656311702 1072504459 /nfs/dbraw/zinc/50/44/59/1072504459.db2.gz OBFGLNMFWVHRHU-ZOFXXKQRSA-N 1 2 384.521 -0.174 20 0 GBADLO C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCOCC1 ZINC000656311702 1072504447 /nfs/dbraw/zinc/50/44/47/1072504447.db2.gz OBFGLNMFWVHRHU-ZOFXXKQRSA-N 1 2 384.521 -0.174 20 0 GBADLO CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000656311971 1072504658 /nfs/dbraw/zinc/50/46/58/1072504658.db2.gz JXGSXERIONSSFG-UHFFFAOYSA-N 1 2 395.548 -0.012 20 0 GBADLO C[C@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312794 1072505489 /nfs/dbraw/zinc/50/54/89/1072505489.db2.gz LOFLOXJKGIMYKZ-APIJFGDWSA-N 1 2 380.489 -0.273 20 0 GBADLO C[C@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312794 1072505477 /nfs/dbraw/zinc/50/54/77/1072505477.db2.gz LOFLOXJKGIMYKZ-APIJFGDWSA-N 1 2 380.489 -0.273 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312795 1072505976 /nfs/dbraw/zinc/50/59/76/1072505976.db2.gz LOFLOXJKGIMYKZ-BYNSBNAKSA-N 1 2 380.489 -0.273 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312795 1072505961 /nfs/dbraw/zinc/50/59/61/1072505961.db2.gz LOFLOXJKGIMYKZ-BYNSBNAKSA-N 1 2 380.489 -0.273 20 0 GBADLO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312796 1072505562 /nfs/dbraw/zinc/50/55/62/1072505562.db2.gz LOFLOXJKGIMYKZ-KBXIAJHMSA-N 1 2 380.489 -0.273 20 0 GBADLO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312796 1072505556 /nfs/dbraw/zinc/50/55/56/1072505556.db2.gz LOFLOXJKGIMYKZ-KBXIAJHMSA-N 1 2 380.489 -0.273 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312797 1072506132 /nfs/dbraw/zinc/50/61/32/1072506132.db2.gz LOFLOXJKGIMYKZ-XQLPTFJDSA-N 1 2 380.489 -0.273 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656312797 1072506124 /nfs/dbraw/zinc/50/61/24/1072506124.db2.gz LOFLOXJKGIMYKZ-XQLPTFJDSA-N 1 2 380.489 -0.273 20 0 GBADLO CC(C)(C)n1nnc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000656314686 1072507780 /nfs/dbraw/zinc/50/77/80/1072507780.db2.gz BFUKHCJYOSZQEH-KBPBESRZSA-N 1 2 393.492 -0.196 20 0 GBADLO CC(C)(C)n1nnc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000656314687 1072508213 /nfs/dbraw/zinc/50/82/13/1072508213.db2.gz BFUKHCJYOSZQEH-KGLIPLIRSA-N 1 2 393.492 -0.196 20 0 GBADLO CC(C)(C)n1nnc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000656314688 1072507667 /nfs/dbraw/zinc/50/76/67/1072507667.db2.gz BFUKHCJYOSZQEH-UONOGXRCSA-N 1 2 393.492 -0.196 20 0 GBADLO CC(C)(C)n1nnc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000656314689 1072507593 /nfs/dbraw/zinc/50/75/93/1072507593.db2.gz BFUKHCJYOSZQEH-ZIAGYGMSSA-N 1 2 393.492 -0.196 20 0 GBADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(c4nncn4C)CC3)[nH+]c12 ZINC000656317165 1072508818 /nfs/dbraw/zinc/50/88/18/1072508818.db2.gz XMKDKQSRJXYCOH-UHFFFAOYSA-N 1 2 396.455 -0.221 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000656323960 1072514448 /nfs/dbraw/zinc/51/44/48/1072514448.db2.gz JQEGEFSJBHYVNH-INIZCTEOSA-N 1 2 383.456 -0.233 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000656323960 1072514435 /nfs/dbraw/zinc/51/44/35/1072514435.db2.gz JQEGEFSJBHYVNH-INIZCTEOSA-N 1 2 383.456 -0.233 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000656323961 1072514709 /nfs/dbraw/zinc/51/47/09/1072514709.db2.gz JQEGEFSJBHYVNH-MRXNPFEDSA-N 1 2 383.456 -0.233 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000656323961 1072514699 /nfs/dbraw/zinc/51/46/99/1072514699.db2.gz JQEGEFSJBHYVNH-MRXNPFEDSA-N 1 2 383.456 -0.233 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000656324724 1072514659 /nfs/dbraw/zinc/51/46/59/1072514659.db2.gz YKTTWNSDHHWKIG-AWEZNQCLSA-N 1 2 384.444 -0.746 20 0 GBADLO Cn1cnnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000656324725 1072514239 /nfs/dbraw/zinc/51/42/39/1072514239.db2.gz YKTTWNSDHHWKIG-CQSZACIVSA-N 1 2 384.444 -0.746 20 0 GBADLO CC[C@@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000656325786 1072515514 /nfs/dbraw/zinc/51/55/14/1072515514.db2.gz YLFDGPHJDXBIOZ-CAOSSQGBSA-N 1 2 398.504 -0.646 20 0 GBADLO CC[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000656325786 1072515509 /nfs/dbraw/zinc/51/55/09/1072515509.db2.gz YLFDGPHJDXBIOZ-CAOSSQGBSA-N 1 2 398.504 -0.646 20 0 GBADLO CC[C@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000656325791 1072515431 /nfs/dbraw/zinc/51/54/31/1072515431.db2.gz YLFDGPHJDXBIOZ-JONQDZQNSA-N 1 2 398.504 -0.646 20 0 GBADLO CC[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000656325791 1072515426 /nfs/dbraw/zinc/51/54/26/1072515426.db2.gz YLFDGPHJDXBIOZ-JONQDZQNSA-N 1 2 398.504 -0.646 20 0 GBADLO CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000656325793 1072515788 /nfs/dbraw/zinc/51/57/88/1072515788.db2.gz YLFDGPHJDXBIOZ-LVQVYYBASA-N 1 2 398.504 -0.646 20 0 GBADLO CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000656325793 1072515781 /nfs/dbraw/zinc/51/57/81/1072515781.db2.gz YLFDGPHJDXBIOZ-LVQVYYBASA-N 1 2 398.504 -0.646 20 0 GBADLO CC[C@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000656325796 1072515808 /nfs/dbraw/zinc/51/58/08/1072515808.db2.gz YLFDGPHJDXBIOZ-WCVJEAGWSA-N 1 2 398.504 -0.646 20 0 GBADLO CC[C@H](NC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000656325796 1072515801 /nfs/dbraw/zinc/51/58/01/1072515801.db2.gz YLFDGPHJDXBIOZ-WCVJEAGWSA-N 1 2 398.504 -0.646 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1ccnc(N(C)C)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656330372 1072517371 /nfs/dbraw/zinc/51/73/71/1072517371.db2.gz BBKUUUMQZRSXST-MCIONIFRSA-N 1 2 378.477 -0.227 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1ccnc(N(C)C)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656330372 1072517363 /nfs/dbraw/zinc/51/73/63/1072517363.db2.gz BBKUUUMQZRSXST-MCIONIFRSA-N 1 2 378.477 -0.227 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1ccnc(N(C)C)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656330373 1072517711 /nfs/dbraw/zinc/51/77/11/1072517711.db2.gz BBKUUUMQZRSXST-MELADBBJSA-N 1 2 378.477 -0.227 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1ccnc(N(C)C)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656330373 1072517702 /nfs/dbraw/zinc/51/77/02/1072517702.db2.gz BBKUUUMQZRSXST-MELADBBJSA-N 1 2 378.477 -0.227 20 0 GBADLO COCCn1cc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000656330558 1072517555 /nfs/dbraw/zinc/51/75/55/1072517555.db2.gz DJHNSMOBKKHBQO-KFWWJZLASA-N 1 2 381.477 -0.240 20 0 GBADLO COCCn1cc(CNC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000656330558 1072517548 /nfs/dbraw/zinc/51/75/48/1072517548.db2.gz DJHNSMOBKKHBQO-KFWWJZLASA-N 1 2 381.477 -0.240 20 0 GBADLO COCCn1cc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000656330559 1072517763 /nfs/dbraw/zinc/51/77/63/1072517763.db2.gz DJHNSMOBKKHBQO-SOUVJXGZSA-N 1 2 381.477 -0.240 20 0 GBADLO COCCn1cc(CNC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000656330559 1072517754 /nfs/dbraw/zinc/51/77/54/1072517754.db2.gz DJHNSMOBKKHBQO-SOUVJXGZSA-N 1 2 381.477 -0.240 20 0 GBADLO C[C@H](NC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@@H]1CCCCO1 ZINC000656333009 1072518355 /nfs/dbraw/zinc/51/83/55/1072518355.db2.gz XOMWLWHBTNEZFY-CQJJVWNLSA-N 1 2 377.445 -0.070 20 0 GBADLO C[C@H](NC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@H]1CCCCO1 ZINC000656333010 1072518564 /nfs/dbraw/zinc/51/85/64/1072518564.db2.gz XOMWLWHBTNEZFY-KLZCAUPSSA-N 1 2 377.445 -0.070 20 0 GBADLO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@@H]1CCCCO1 ZINC000656333011 1072518337 /nfs/dbraw/zinc/51/83/37/1072518337.db2.gz XOMWLWHBTNEZFY-UNIGVISCSA-N 1 2 377.445 -0.070 20 0 GBADLO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@H]1CCCCO1 ZINC000656333012 1072518747 /nfs/dbraw/zinc/51/87/47/1072518747.db2.gz XOMWLWHBTNEZFY-ZNEHSRBWSA-N 1 2 377.445 -0.070 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337961 1072520358 /nfs/dbraw/zinc/52/03/58/1072520358.db2.gz YWMAVNKTDJPPGS-HRCADAONSA-N 1 2 382.505 -0.419 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337961 1072520349 /nfs/dbraw/zinc/52/03/49/1072520349.db2.gz YWMAVNKTDJPPGS-HRCADAONSA-N 1 2 382.505 -0.419 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337962 1072520414 /nfs/dbraw/zinc/52/04/14/1072520414.db2.gz YWMAVNKTDJPPGS-OAGGEKHMSA-N 1 2 382.505 -0.419 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656337962 1072520406 /nfs/dbraw/zinc/52/04/06/1072520406.db2.gz YWMAVNKTDJPPGS-OAGGEKHMSA-N 1 2 382.505 -0.419 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656339311 1072521749 /nfs/dbraw/zinc/52/17/49/1072521749.db2.gz HJJYSVDXIVAYRW-CAOSSQGBSA-N 1 2 382.505 -0.025 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656339311 1072521742 /nfs/dbraw/zinc/52/17/42/1072521742.db2.gz HJJYSVDXIVAYRW-CAOSSQGBSA-N 1 2 382.505 -0.025 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656339313 1072521849 /nfs/dbraw/zinc/52/18/49/1072521849.db2.gz HJJYSVDXIVAYRW-JONQDZQNSA-N 1 2 382.505 -0.025 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656339313 1072521839 /nfs/dbraw/zinc/52/18/39/1072521839.db2.gz HJJYSVDXIVAYRW-JONQDZQNSA-N 1 2 382.505 -0.025 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656339315 1072521595 /nfs/dbraw/zinc/52/15/95/1072521595.db2.gz HJJYSVDXIVAYRW-LVQVYYBASA-N 1 2 382.505 -0.025 20 0 GBADLO CCCN1C[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656339315 1072521588 /nfs/dbraw/zinc/52/15/88/1072521588.db2.gz HJJYSVDXIVAYRW-LVQVYYBASA-N 1 2 382.505 -0.025 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656339316 1072521655 /nfs/dbraw/zinc/52/16/55/1072521655.db2.gz HJJYSVDXIVAYRW-WCVJEAGWSA-N 1 2 382.505 -0.025 20 0 GBADLO CCCN1C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000656339316 1072521648 /nfs/dbraw/zinc/52/16/48/1072521648.db2.gz HJJYSVDXIVAYRW-WCVJEAGWSA-N 1 2 382.505 -0.025 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1ncc2c(n1)CCOC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656339406 1072521719 /nfs/dbraw/zinc/52/17/19/1072521719.db2.gz IKASTFWVHCGHGI-MCIONIFRSA-N 1 2 391.472 -0.221 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1ncc2c(n1)CCOC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656339406 1072521709 /nfs/dbraw/zinc/52/17/09/1072521709.db2.gz IKASTFWVHCGHGI-MCIONIFRSA-N 1 2 391.472 -0.221 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1ncc2c(n1)CCOC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656339407 1072521624 /nfs/dbraw/zinc/52/16/24/1072521624.db2.gz IKASTFWVHCGHGI-MELADBBJSA-N 1 2 391.472 -0.221 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1ncc2c(n1)CCOC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656339407 1072521618 /nfs/dbraw/zinc/52/16/18/1072521618.db2.gz IKASTFWVHCGHGI-MELADBBJSA-N 1 2 391.472 -0.221 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)nc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343267 1072522365 /nfs/dbraw/zinc/52/23/65/1072522365.db2.gz MRZLTQVGCWIDMV-RWMBFGLXSA-N 1 2 377.445 -0.589 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)nc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343267 1072522358 /nfs/dbraw/zinc/52/23/58/1072522358.db2.gz MRZLTQVGCWIDMV-RWMBFGLXSA-N 1 2 377.445 -0.589 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)nc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343268 1072522476 /nfs/dbraw/zinc/52/24/76/1072522476.db2.gz MRZLTQVGCWIDMV-UPJWGTAASA-N 1 2 377.445 -0.589 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)nc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343268 1072522468 /nfs/dbraw/zinc/52/24/68/1072522468.db2.gz MRZLTQVGCWIDMV-UPJWGTAASA-N 1 2 377.445 -0.589 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCCN1CCOCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343730 1072522630 /nfs/dbraw/zinc/52/26/30/1072522630.db2.gz PMRNCNFOAYQARV-HRCADAONSA-N 1 2 384.521 -0.173 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCCN1CCOCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343730 1072522626 /nfs/dbraw/zinc/52/26/26/1072522626.db2.gz PMRNCNFOAYQARV-HRCADAONSA-N 1 2 384.521 -0.173 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCCN1CCOCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343731 1072522791 /nfs/dbraw/zinc/52/27/91/1072522791.db2.gz PMRNCNFOAYQARV-OAGGEKHMSA-N 1 2 384.521 -0.173 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCCN1CCOCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343731 1072522786 /nfs/dbraw/zinc/52/27/86/1072522786.db2.gz PMRNCNFOAYQARV-OAGGEKHMSA-N 1 2 384.521 -0.173 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344298 1072522526 /nfs/dbraw/zinc/52/25/26/1072522526.db2.gz UTXUVHXRTQEPQR-RWMBFGLXSA-N 1 2 381.481 -0.342 20 0 GBADLO C[C@@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344298 1072522519 /nfs/dbraw/zinc/52/25/19/1072522519.db2.gz UTXUVHXRTQEPQR-RWMBFGLXSA-N 1 2 381.481 -0.342 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344302 1072522748 /nfs/dbraw/zinc/52/27/48/1072522748.db2.gz UTXUVHXRTQEPQR-UPJWGTAASA-N 1 2 381.481 -0.342 20 0 GBADLO C[C@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344302 1072522742 /nfs/dbraw/zinc/52/27/42/1072522742.db2.gz UTXUVHXRTQEPQR-UPJWGTAASA-N 1 2 381.481 -0.342 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344306 1072522581 /nfs/dbraw/zinc/52/25/81/1072522581.db2.gz UUVGJDHZSJXLML-WNRNVDISSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344306 1072522579 /nfs/dbraw/zinc/52/25/79/1072522579.db2.gz UUVGJDHZSJXLML-WNRNVDISSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344316 1072522272 /nfs/dbraw/zinc/52/22/72/1072522272.db2.gz UUVGJDHZSJXLML-ZJPYXAASSA-N 1 2 396.532 -0.077 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656344316 1072522258 /nfs/dbraw/zinc/52/22/58/1072522258.db2.gz UUVGJDHZSJXLML-ZJPYXAASSA-N 1 2 396.532 -0.077 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000656345439 1072523649 /nfs/dbraw/zinc/52/36/49/1072523649.db2.gz KFSAIDLEOSRVPQ-GVDBMIGSSA-N 1 2 383.489 -0.398 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000656345440 1072523629 /nfs/dbraw/zinc/52/36/29/1072523629.db2.gz KFSAIDLEOSRVPQ-ULQDDVLXSA-N 1 2 383.489 -0.398 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000656345441 1072523354 /nfs/dbraw/zinc/52/33/54/1072523354.db2.gz KFSAIDLEOSRVPQ-YESZJQIVSA-N 1 2 383.489 -0.398 20 0 GBADLO NC(=O)C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000656374827 530117669 /nfs/dbraw/zinc/11/76/69/530117669.db2.gz IOQANLCVYBQNRC-GFCCVEGCSA-N 1 2 390.487 -0.838 20 0 GBADLO NC(=O)C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000656374829 530117393 /nfs/dbraw/zinc/11/73/93/530117393.db2.gz IOQANLCVYBQNRC-LBPRGKRZSA-N 1 2 390.487 -0.838 20 0 GBADLO CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656375213 530118415 /nfs/dbraw/zinc/11/84/15/530118415.db2.gz KVZFZQPADWLQCP-NEPJUHHUSA-N 1 2 380.492 -0.036 20 0 GBADLO CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656375214 530118217 /nfs/dbraw/zinc/11/82/17/530118217.db2.gz KVZFZQPADWLQCP-NWDGAFQWSA-N 1 2 380.492 -0.036 20 0 GBADLO CC[C@H]1[C@H](CO)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656375215 530118440 /nfs/dbraw/zinc/11/84/40/530118440.db2.gz KVZFZQPADWLQCP-RYUDHWBXSA-N 1 2 380.492 -0.036 20 0 GBADLO CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656375216 530118089 /nfs/dbraw/zinc/11/80/89/530118089.db2.gz KVZFZQPADWLQCP-VXGBXAGGSA-N 1 2 380.492 -0.036 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC(F)(F)C[C@@H]1CO)Nc1cc[nH+]cc1 ZINC000656375308 530118248 /nfs/dbraw/zinc/11/82/48/530118248.db2.gz OXIBZAMFWJAPMW-GFCCVEGCSA-N 1 2 399.441 -0.333 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC(F)(F)C[C@H]1CO)Nc1cc[nH+]cc1 ZINC000656375309 530118377 /nfs/dbraw/zinc/11/83/77/530118377.db2.gz OXIBZAMFWJAPMW-LBPRGKRZSA-N 1 2 399.441 -0.333 20 0 GBADLO CCC[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656375658 530117987 /nfs/dbraw/zinc/11/79/87/530117987.db2.gz AJUFNAFYXZGQOG-LLVKDONJSA-N 1 2 393.491 -0.528 20 0 GBADLO CCC[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656375662 530118283 /nfs/dbraw/zinc/11/82/83/530118283.db2.gz AJUFNAFYXZGQOG-NSHDSACASA-N 1 2 393.491 -0.528 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Nc1c[nH]cn1 ZINC000656375799 530118235 /nfs/dbraw/zinc/11/82/35/530118235.db2.gz XNBYRLWSYWKBPN-CYBMUJFWSA-N 1 2 389.503 -0.183 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Nc1c[nH]cn1 ZINC000656375800 530118130 /nfs/dbraw/zinc/11/81/30/530118130.db2.gz XNBYRLWSYWKBPN-ZDUSSCGKSA-N 1 2 389.503 -0.183 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1C[C@H]2[C@H](CO)[C@H]2C1)Nc1cc[nH+]cc1 ZINC000656379372 530117992 /nfs/dbraw/zinc/11/79/92/530117992.db2.gz FUAJRFDIMZCYJT-WDNDVIMCSA-N 1 2 375.472 -0.865 20 0 GBADLO COc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000656380455 530118843 /nfs/dbraw/zinc/11/88/43/530118843.db2.gz DHKVSZOZBKSAQA-UHFFFAOYSA-N 1 2 392.503 -0.201 20 0 GBADLO CN(c1nccs1)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000656380460 530118835 /nfs/dbraw/zinc/11/88/35/530118835.db2.gz JKYZZYULTAUBKS-UHFFFAOYSA-N 1 2 382.533 -0.124 20 0 GBADLO O=S(=O)(CCCCS(=O)(=O)NC1COCCOC1)Nc1cc[nH+]cc1 ZINC000656385367 530119393 /nfs/dbraw/zinc/11/93/93/530119393.db2.gz APYDUIXMBIWQHW-UHFFFAOYSA-N 1 2 393.487 -0.640 20 0 GBADLO C[N@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH]cn2)CC1 ZINC000656386130 530119271 /nfs/dbraw/zinc/11/92/71/530119271.db2.gz MLOBWWRWKHGXHL-UHFFFAOYSA-N 1 2 379.508 -0.101 20 0 GBADLO C[N@@H+]1CCCN(S(=O)(=O)CCCCS(=O)(=O)Nc2c[nH]cn2)CC1 ZINC000656386130 530119270 /nfs/dbraw/zinc/11/92/70/530119270.db2.gz MLOBWWRWKHGXHL-UHFFFAOYSA-N 1 2 379.508 -0.101 20 0 GBADLO CN([C@@H]1CCN(C)C1=O)S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656389683 530119969 /nfs/dbraw/zinc/11/99/69/530119969.db2.gz VYJYHNSVRCQESX-LLVKDONJSA-N 1 2 393.491 -0.576 20 0 GBADLO CN([C@H]1CCN(C)C1=O)S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656389687 530120060 /nfs/dbraw/zinc/12/00/60/530120060.db2.gz VYJYHNSVRCQESX-NSHDSACASA-N 1 2 393.491 -0.576 20 0 GBADLO O=S1(=O)CC[C@H]([NH2+]Cc2cn(-c3nc4ccccc4n4nnnc34)nn2)C1 ZINC000656453615 1072557460 /nfs/dbraw/zinc/55/74/60/1072557460.db2.gz NSZYSARMCOKDTM-JTQLQIEISA-N 1 2 385.413 -0.470 20 0 GBADLO O=S1(=O)CC[C@@H]([NH2+]Cc2cn(-c3nc4ccccc4n4nnnc34)nn2)C1 ZINC000656453616 1072557229 /nfs/dbraw/zinc/55/72/29/1072557229.db2.gz NSZYSARMCOKDTM-SNVBAGLBSA-N 1 2 385.413 -0.470 20 0 GBADLO C[N@@H+](C[C@@H]1COCCO1)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000656477650 1072567491 /nfs/dbraw/zinc/56/74/91/1072567491.db2.gz IMSBJOWLFHUWMR-OCCSQVGLSA-N 1 2 383.426 -0.687 20 0 GBADLO C[N@H+](C[C@@H]1COCCO1)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000656477650 1072567486 /nfs/dbraw/zinc/56/74/86/1072567486.db2.gz IMSBJOWLFHUWMR-OCCSQVGLSA-N 1 2 383.426 -0.687 20 0 GBADLO C[N@@H+](C[C@@H]1COCCO1)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000656477651 1072567675 /nfs/dbraw/zinc/56/76/75/1072567675.db2.gz IMSBJOWLFHUWMR-TZMCWYRMSA-N 1 2 383.426 -0.687 20 0 GBADLO C[N@H+](C[C@@H]1COCCO1)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000656477651 1072567659 /nfs/dbraw/zinc/56/76/59/1072567659.db2.gz IMSBJOWLFHUWMR-TZMCWYRMSA-N 1 2 383.426 -0.687 20 0 GBADLO NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC3(O)CCSCC3)CC2)o1 ZINC000656696123 530120404 /nfs/dbraw/zinc/12/04/04/530120404.db2.gz XQGUBAFTYUCNEA-UHFFFAOYSA-N 1 2 389.499 -0.057 20 0 GBADLO COC1CCN(S(=O)(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000656869260 1072157029 /nfs/dbraw/zinc/15/70/29/1072157029.db2.gz CCJUOMAOSLFJDM-UHFFFAOYSA-N 1 2 388.534 -0.028 20 0 GBADLO COC1CCN(S(=O)(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000656869260 1072157023 /nfs/dbraw/zinc/15/70/23/1072157023.db2.gz CCJUOMAOSLFJDM-UHFFFAOYSA-N 1 2 388.534 -0.028 20 0 GBADLO COC1CCN(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000656869686 1072157115 /nfs/dbraw/zinc/15/71/15/1072157115.db2.gz FFLIGZWQZZKJEJ-UHFFFAOYSA-N 1 2 395.489 -0.159 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCC(OC)CC2)CC1 ZINC000656875393 530121849 /nfs/dbraw/zinc/12/18/49/530121849.db2.gz SGKBPMMLWWDCGF-UHFFFAOYSA-N 1 2 376.523 -0.078 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000656875632 530121990 /nfs/dbraw/zinc/12/19/90/530121990.db2.gz AMFYFNDRKVZXRU-CABCVRRESA-N 1 2 377.507 -0.489 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000656875632 530121988 /nfs/dbraw/zinc/12/19/88/530121988.db2.gz AMFYFNDRKVZXRU-CABCVRRESA-N 1 2 377.507 -0.489 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000656875635 530122084 /nfs/dbraw/zinc/12/20/84/530122084.db2.gz AMFYFNDRKVZXRU-GJZGRUSLSA-N 1 2 377.507 -0.489 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000656875635 530122083 /nfs/dbraw/zinc/12/20/83/530122083.db2.gz AMFYFNDRKVZXRU-GJZGRUSLSA-N 1 2 377.507 -0.489 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000656875637 530121754 /nfs/dbraw/zinc/12/17/54/530121754.db2.gz AMFYFNDRKVZXRU-HUUCEWRRSA-N 1 2 377.507 -0.489 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000656875637 530121752 /nfs/dbraw/zinc/12/17/52/530121752.db2.gz AMFYFNDRKVZXRU-HUUCEWRRSA-N 1 2 377.507 -0.489 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000656875638 530122012 /nfs/dbraw/zinc/12/20/12/530122012.db2.gz AMFYFNDRKVZXRU-LSDHHAIUSA-N 1 2 377.507 -0.489 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000656875638 530122011 /nfs/dbraw/zinc/12/20/11/530122011.db2.gz AMFYFNDRKVZXRU-LSDHHAIUSA-N 1 2 377.507 -0.489 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000656876390 1072159191 /nfs/dbraw/zinc/15/91/91/1072159191.db2.gz ZMCRNNGLAOROSH-GDBMZVCRSA-N 1 2 391.534 -0.052 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000656876395 1072159450 /nfs/dbraw/zinc/15/94/50/1072159450.db2.gz ZMCRNNGLAOROSH-GOEBONIOSA-N 1 2 391.534 -0.052 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000656876397 1072159472 /nfs/dbraw/zinc/15/94/72/1072159472.db2.gz ZMCRNNGLAOROSH-HOCLYGCPSA-N 1 2 391.534 -0.052 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000656876399 1072159380 /nfs/dbraw/zinc/15/93/80/1072159380.db2.gz ZMCRNNGLAOROSH-ZBFHGGJFSA-N 1 2 391.534 -0.052 20 0 GBADLO COc1cc2c(cc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(=O)NCCC2 ZINC000656898278 1072168175 /nfs/dbraw/zinc/16/81/75/1072168175.db2.gz LVZOPUTZFWYNEL-AWEZNQCLSA-N 1 2 396.513 -0.105 20 0 GBADLO COc1cc2c(cc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C)C(=O)NCCC2 ZINC000656898278 1072168165 /nfs/dbraw/zinc/16/81/65/1072168165.db2.gz LVZOPUTZFWYNEL-AWEZNQCLSA-N 1 2 396.513 -0.105 20 0 GBADLO COc1cc2c(cc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)NCCC2 ZINC000656898280 1072168274 /nfs/dbraw/zinc/16/82/74/1072168274.db2.gz LVZOPUTZFWYNEL-CQSZACIVSA-N 1 2 396.513 -0.105 20 0 GBADLO COc1cc2c(cc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(=O)NCCC2 ZINC000656898280 1072168270 /nfs/dbraw/zinc/16/82/70/1072168270.db2.gz LVZOPUTZFWYNEL-CQSZACIVSA-N 1 2 396.513 -0.105 20 0 GBADLO Cc1cc(C(N)=O)cc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000656899947 1072170992 /nfs/dbraw/zinc/17/09/92/1072170992.db2.gz YWXPTXKAPSXJAK-UHFFFAOYSA-N 1 2 382.486 -0.075 20 0 GBADLO CO[C@@H](CS(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CCOC1 ZINC000656935741 530122739 /nfs/dbraw/zinc/12/27/39/530122739.db2.gz SWOLXAPSJJCZRZ-CABCVRRESA-N 1 2 377.507 -0.536 20 0 GBADLO CO[C@@H](CS(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CCOC1 ZINC000656935745 530122476 /nfs/dbraw/zinc/12/24/76/530122476.db2.gz SWOLXAPSJJCZRZ-GJZGRUSLSA-N 1 2 377.507 -0.536 20 0 GBADLO CO[C@H](CS(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CCOC1 ZINC000656935748 530122726 /nfs/dbraw/zinc/12/27/26/530122726.db2.gz SWOLXAPSJJCZRZ-HUUCEWRRSA-N 1 2 377.507 -0.536 20 0 GBADLO CO[C@H](CS(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CCOC1 ZINC000656935751 530122809 /nfs/dbraw/zinc/12/28/09/530122809.db2.gz SWOLXAPSJJCZRZ-LSDHHAIUSA-N 1 2 377.507 -0.536 20 0 GBADLO Cc1cc(C(N)=O)cc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000656935891 1072189620 /nfs/dbraw/zinc/18/96/20/1072189620.db2.gz UOSUGEUZPURFLS-UHFFFAOYSA-N 1 2 382.486 -0.121 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@H](C)[N@@H+]1CCO ZINC000657004667 530123943 /nfs/dbraw/zinc/12/39/43/530123943.db2.gz XKTTZCLBNDHDQG-OKILXGFUSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C[C@H](C)[N@H+]1CCO ZINC000657004667 530123941 /nfs/dbraw/zinc/12/39/41/530123941.db2.gz XKTTZCLBNDHDQG-OKILXGFUSA-N 1 2 397.563 -0.625 20 0 GBADLO COC1CCN(S(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000657010988 530123600 /nfs/dbraw/zinc/12/36/00/530123600.db2.gz MEYJLNKQRYONJG-UHFFFAOYSA-N 1 2 377.507 -0.187 20 0 GBADLO CO[C@@H](CS(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CCOC1 ZINC000657011083 1072197556 /nfs/dbraw/zinc/19/75/56/1072197556.db2.gz PZXOSKUILAWORM-CVEARBPZSA-N 1 2 392.518 -0.161 20 0 GBADLO CO[C@@H](CS(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CCOC1 ZINC000657011084 1072197458 /nfs/dbraw/zinc/19/74/58/1072197458.db2.gz PZXOSKUILAWORM-HOTGVXAUSA-N 1 2 392.518 -0.161 20 0 GBADLO CO[C@H](CS(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1CCOC1 ZINC000657011085 1072197150 /nfs/dbraw/zinc/19/71/50/1072197150.db2.gz PZXOSKUILAWORM-HZPDHXFCSA-N 1 2 392.518 -0.161 20 0 GBADLO CO[C@H](CS(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CCOC1 ZINC000657011087 1072197280 /nfs/dbraw/zinc/19/72/80/1072197280.db2.gz PZXOSKUILAWORM-JKSUJKDBSA-N 1 2 392.518 -0.161 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000657011983 530123252 /nfs/dbraw/zinc/12/32/52/530123252.db2.gz RDLMFJBDXSTYMH-GDBMZVCRSA-N 1 2 380.507 -0.353 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000657011984 530123138 /nfs/dbraw/zinc/12/31/38/530123138.db2.gz RDLMFJBDXSTYMH-GOEBONIOSA-N 1 2 380.507 -0.353 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000657011985 530123345 /nfs/dbraw/zinc/12/33/45/530123345.db2.gz RDLMFJBDXSTYMH-HOCLYGCPSA-N 1 2 380.507 -0.353 20 0 GBADLO COCC(COC)[NH+]1CCN(S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000657011986 530123405 /nfs/dbraw/zinc/12/34/05/530123405.db2.gz RDLMFJBDXSTYMH-ZBFHGGJFSA-N 1 2 380.507 -0.353 20 0 GBADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000657014920 530123870 /nfs/dbraw/zinc/12/38/70/530123870.db2.gz CLKQGPQULZEOSJ-KBPBESRZSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000657014920 530123867 /nfs/dbraw/zinc/12/38/67/530123867.db2.gz CLKQGPQULZEOSJ-KBPBESRZSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C[N@H+]1CCO ZINC000657014921 530123988 /nfs/dbraw/zinc/12/39/88/530123988.db2.gz CLKQGPQULZEOSJ-KGLIPLIRSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000657014921 530123987 /nfs/dbraw/zinc/12/39/87/530123987.db2.gz CLKQGPQULZEOSJ-KGLIPLIRSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000657014922 530123831 /nfs/dbraw/zinc/12/38/31/530123831.db2.gz CLKQGPQULZEOSJ-UONOGXRCSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000657014922 530123828 /nfs/dbraw/zinc/12/38/28/530123828.db2.gz CLKQGPQULZEOSJ-UONOGXRCSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000657014923 530123919 /nfs/dbraw/zinc/12/39/19/530123919.db2.gz CLKQGPQULZEOSJ-ZIAGYGMSSA-N 1 2 397.563 -0.625 20 0 GBADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000657014923 530123916 /nfs/dbraw/zinc/12/39/16/530123916.db2.gz CLKQGPQULZEOSJ-ZIAGYGMSSA-N 1 2 397.563 -0.625 20 0 GBADLO COCCOCC[NH+]1CCN(S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000657022830 530123853 /nfs/dbraw/zinc/12/38/53/530123853.db2.gz KUQODDYWILQHBF-CVEARBPZSA-N 1 2 380.507 -0.352 20 0 GBADLO COCCOCC[NH+]1CCN(S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000657022833 530123996 /nfs/dbraw/zinc/12/39/96/530123996.db2.gz KUQODDYWILQHBF-HOTGVXAUSA-N 1 2 380.507 -0.352 20 0 GBADLO COCCOCC[NH+]1CCN(S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000657022835 530123679 /nfs/dbraw/zinc/12/36/79/530123679.db2.gz KUQODDYWILQHBF-HZPDHXFCSA-N 1 2 380.507 -0.352 20 0 GBADLO COCCOCC[NH+]1CCN(S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000657022836 530123956 /nfs/dbraw/zinc/12/39/56/530123956.db2.gz KUQODDYWILQHBF-JKSUJKDBSA-N 1 2 380.507 -0.352 20 0 GBADLO C[C@H]1C[N@@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)CO1 ZINC000657088433 530124275 /nfs/dbraw/zinc/12/42/75/530124275.db2.gz CITAVEDDJSGGDW-KBPBESRZSA-N 1 2 397.563 -0.313 20 0 GBADLO C[C@H]1C[N@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)CO1 ZINC000657088433 530124274 /nfs/dbraw/zinc/12/42/74/530124274.db2.gz CITAVEDDJSGGDW-KBPBESRZSA-N 1 2 397.563 -0.313 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000657088434 530124359 /nfs/dbraw/zinc/12/43/59/530124359.db2.gz CITAVEDDJSGGDW-KGLIPLIRSA-N 1 2 397.563 -0.313 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000657088434 530124355 /nfs/dbraw/zinc/12/43/55/530124355.db2.gz CITAVEDDJSGGDW-KGLIPLIRSA-N 1 2 397.563 -0.313 20 0 GBADLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)CO1 ZINC000657088435 530124499 /nfs/dbraw/zinc/12/44/99/530124499.db2.gz CITAVEDDJSGGDW-UONOGXRCSA-N 1 2 397.563 -0.313 20 0 GBADLO C[C@@H]1C[N@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)CO1 ZINC000657088435 530124496 /nfs/dbraw/zinc/12/44/96/530124496.db2.gz CITAVEDDJSGGDW-UONOGXRCSA-N 1 2 397.563 -0.313 20 0 GBADLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H](C)CO1 ZINC000657088436 530124148 /nfs/dbraw/zinc/12/41/48/530124148.db2.gz CITAVEDDJSGGDW-ZIAGYGMSSA-N 1 2 397.563 -0.313 20 0 GBADLO C[C@@H]1C[N@H+](CCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H](C)CO1 ZINC000657088436 530124145 /nfs/dbraw/zinc/12/41/45/530124145.db2.gz CITAVEDDJSGGDW-ZIAGYGMSSA-N 1 2 397.563 -0.313 20 0 GBADLO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000657132209 530126722 /nfs/dbraw/zinc/12/67/22/530126722.db2.gz ALADXQAYXIHLFR-UHFFFAOYSA-N 1 2 392.503 -0.874 20 0 GBADLO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000657133966 530126996 /nfs/dbraw/zinc/12/69/96/530126996.db2.gz IYUFFPRUIWMSRL-UHFFFAOYSA-N 1 2 391.515 -0.269 20 0 GBADLO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000657135620 530126890 /nfs/dbraw/zinc/12/68/90/530126890.db2.gz QPPZVRFUCNCYFK-UHFFFAOYSA-N 1 2 391.515 -0.269 20 0 GBADLO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000657136213 530127047 /nfs/dbraw/zinc/12/70/47/530127047.db2.gz UPORIARRJJTFPY-UHFFFAOYSA-N 1 2 391.515 -0.269 20 0 GBADLO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000657136499 530126954 /nfs/dbraw/zinc/12/69/54/530126954.db2.gz SZSYWSSIXNTWCX-UHFFFAOYSA-N 1 2 385.552 -0.519 20 0 GBADLO CC(C)(C)n1nnc(CCN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)n1 ZINC000657252504 1072285460 /nfs/dbraw/zinc/28/54/60/1072285460.db2.gz NHORJZJMFGAMHR-UHFFFAOYSA-N 1 2 393.448 -0.516 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccnc(OCCO)c1)[NH+]1CCOCC1 ZINC000657517609 1072383776 /nfs/dbraw/zinc/38/37/76/1072383776.db2.gz HTSOIFIMZQFBOA-HNNXBMFYSA-N 1 2 380.445 -0.136 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccnc(OCCO)c1)[NH+]1CCOCC1 ZINC000657517610 1072383728 /nfs/dbraw/zinc/38/37/28/1072383728.db2.gz HTSOIFIMZQFBOA-OAHLLOKOSA-N 1 2 380.445 -0.136 20 0 GBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000657529107 1072388429 /nfs/dbraw/zinc/38/84/29/1072388429.db2.gz UHWWLCACIGJGME-AWEZNQCLSA-N 1 2 395.485 -0.730 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000657529109 1072388341 /nfs/dbraw/zinc/38/83/41/1072388341.db2.gz UHWWLCACIGJGME-CQSZACIVSA-N 1 2 395.485 -0.730 20 0 GBADLO C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)CC1 ZINC000657543052 1072390952 /nfs/dbraw/zinc/39/09/52/1072390952.db2.gz KIYSXUYKDFLASW-UHFFFAOYSA-N 1 2 380.470 -0.065 20 0 GBADLO Cc1cnn(C)c1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000657552684 1072392177 /nfs/dbraw/zinc/39/21/77/1072392177.db2.gz FYLZIHXDJDICFN-UHFFFAOYSA-N 1 2 383.416 -0.307 20 0 GBADLO Cc1cn(C)nc1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000657554210 1072393326 /nfs/dbraw/zinc/39/33/26/1072393326.db2.gz NWAVQFZTQNQESW-UHFFFAOYSA-N 1 2 383.416 -0.307 20 0 GBADLO CCn1ccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000657554313 1072392222 /nfs/dbraw/zinc/39/22/22/1072392222.db2.gz PHKDROXPSZDKET-UHFFFAOYSA-N 1 2 383.416 -0.133 20 0 GBADLO CCn1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000657556933 1072393309 /nfs/dbraw/zinc/39/33/09/1072393309.db2.gz ANYLFFIVZWHOMJ-UHFFFAOYSA-N 1 2 376.461 -0.002 20 0 GBADLO CCn1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000657556933 1072393306 /nfs/dbraw/zinc/39/33/06/1072393306.db2.gz ANYLFFIVZWHOMJ-UHFFFAOYSA-N 1 2 376.461 -0.002 20 0 GBADLO Cc1cnn(C)c1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000657557047 1072393125 /nfs/dbraw/zinc/39/31/25/1072393125.db2.gz FNMPUMLLHZXQBR-UHFFFAOYSA-N 1 2 376.461 -0.176 20 0 GBADLO Cc1cnn(C)c1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000657557047 1072393111 /nfs/dbraw/zinc/39/31/11/1072393111.db2.gz FNMPUMLLHZXQBR-UHFFFAOYSA-N 1 2 376.461 -0.176 20 0 GBADLO Cc1cn(C)nc1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000657557279 1072393014 /nfs/dbraw/zinc/39/30/14/1072393014.db2.gz LXUYNEINEOXPSJ-UHFFFAOYSA-N 1 2 376.461 -0.176 20 0 GBADLO Cc1cn(C)nc1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000657557279 1072392999 /nfs/dbraw/zinc/39/29/99/1072392999.db2.gz LXUYNEINEOXPSJ-UHFFFAOYSA-N 1 2 376.461 -0.176 20 0 GBADLO O=C(Nc1ccnc(OCCO)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657579093 1072394893 /nfs/dbraw/zinc/39/48/93/1072394893.db2.gz ALPSCDWMUKBNEC-HNNXBMFYSA-N 1 2 378.429 -0.286 20 0 GBADLO O=C(Nc1ccnc(OCCO)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657579096 1072394934 /nfs/dbraw/zinc/39/49/34/1072394934.db2.gz ALPSCDWMUKBNEC-OAHLLOKOSA-N 1 2 378.429 -0.286 20 0 GBADLO Cc1cn(C)nc1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000657658387 1072404065 /nfs/dbraw/zinc/40/40/65/1072404065.db2.gz VMHOCGWSFPKCCD-UHFFFAOYSA-N 1 2 399.455 -0.083 20 0 GBADLO Cc1cnn(C)c1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000657658412 1072404260 /nfs/dbraw/zinc/40/42/60/1072404260.db2.gz WWKYUXJQWFGGLL-UHFFFAOYSA-N 1 2 399.455 -0.083 20 0 GBADLO CCN(C(C)=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000657711772 1072421996 /nfs/dbraw/zinc/42/19/96/1072421996.db2.gz PREAKOZNMDTARO-CYBMUJFWSA-N 1 2 377.445 -0.082 20 0 GBADLO CCN(C(C)=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000657711773 1072422564 /nfs/dbraw/zinc/42/25/64/1072422564.db2.gz PREAKOZNMDTARO-ZDUSSCGKSA-N 1 2 377.445 -0.082 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cncc(OCC(F)(F)F)n2)CC1 ZINC000657711785 1072422907 /nfs/dbraw/zinc/42/29/07/1072422907.db2.gz QBSDCKOEIUDYCG-JTQLQIEISA-N 1 2 391.350 -0.119 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cncc(OCC(F)(F)F)n2)CC1 ZINC000657711786 1072422794 /nfs/dbraw/zinc/42/27/94/1072422794.db2.gz QBSDCKOEIUDYCG-SNVBAGLBSA-N 1 2 391.350 -0.119 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000657728279 1072431628 /nfs/dbraw/zinc/43/16/28/1072431628.db2.gz NZSZKHDDSSXBPF-AWEZNQCLSA-N 1 2 377.441 -0.059 20 0 GBADLO CC(C)C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657736115 1072437071 /nfs/dbraw/zinc/43/70/71/1072437071.db2.gz DSHKYGGAXDSYRP-INIZCTEOSA-N 1 2 380.489 -0.364 20 0 GBADLO CC(C)C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657736116 1072436924 /nfs/dbraw/zinc/43/69/24/1072436924.db2.gz DSHKYGGAXDSYRP-MRXNPFEDSA-N 1 2 380.489 -0.364 20 0 GBADLO O=C(C(=O)N1CCOC2(CCOCC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657741120 1072441644 /nfs/dbraw/zinc/44/16/44/1072441644.db2.gz ANXBSHLMCPPFAI-INIZCTEOSA-N 1 2 381.473 -0.282 20 0 GBADLO O=C(C(=O)N1CCOC2(CCOCC2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657741121 1072441414 /nfs/dbraw/zinc/44/14/14/1072441414.db2.gz ANXBSHLMCPPFAI-MRXNPFEDSA-N 1 2 381.473 -0.282 20 0 GBADLO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657741196 1072442558 /nfs/dbraw/zinc/44/25/58/1072442558.db2.gz FNNLYOFWRYUMQD-KRWDZBQOSA-N 1 2 396.532 -0.121 20 0 GBADLO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657741202 1072442202 /nfs/dbraw/zinc/44/22/02/1072442202.db2.gz FNNLYOFWRYUMQD-QGZVFWFLSA-N 1 2 396.532 -0.121 20 0 GBADLO O=C(C(=O)N1CCO[C@H]([C@H]2CCCO2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657741246 1072442567 /nfs/dbraw/zinc/44/25/67/1072442567.db2.gz HDQYMGABUPWCSE-BBWFWOEESA-N 1 2 381.473 -0.284 20 0 GBADLO O=C(C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657741250 1072442331 /nfs/dbraw/zinc/44/23/31/1072442331.db2.gz HDQYMGABUPWCSE-IKGGRYGDSA-N 1 2 381.473 -0.284 20 0 GBADLO O=C(C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657741253 1072442520 /nfs/dbraw/zinc/44/25/20/1072442520.db2.gz HDQYMGABUPWCSE-ULQDDVLXSA-N 1 2 381.473 -0.284 20 0 GBADLO O=C(C(=O)N1CCO[C@H]([C@H]2CCCO2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657741256 1072442063 /nfs/dbraw/zinc/44/20/63/1072442063.db2.gz HDQYMGABUPWCSE-ZACQAIPSSA-N 1 2 381.473 -0.284 20 0 GBADLO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CCO2 ZINC000657741464 1072441064 /nfs/dbraw/zinc/44/10/64/1072441064.db2.gz LSINBYWNCPVXLB-BXWFABGCSA-N 1 2 381.473 -0.284 20 0 GBADLO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CCO2 ZINC000657741466 1072441435 /nfs/dbraw/zinc/44/14/35/1072441435.db2.gz LSINBYWNCPVXLB-FCEWJHQRSA-N 1 2 381.473 -0.284 20 0 GBADLO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CCO2 ZINC000657741470 1072441142 /nfs/dbraw/zinc/44/11/42/1072441142.db2.gz LSINBYWNCPVXLB-FRQCXROJSA-N 1 2 381.473 -0.284 20 0 GBADLO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CCO2 ZINC000657741472 1072441577 /nfs/dbraw/zinc/44/15/77/1072441577.db2.gz LSINBYWNCPVXLB-TXPKVOOTSA-N 1 2 381.473 -0.284 20 0 GBADLO O=C(C(=O)N1CCO[C@@]2(CCCOC2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657741475 1072441372 /nfs/dbraw/zinc/44/13/72/1072441372.db2.gz MGQBNQLAHIZNTG-APWZRJJASA-N 1 2 381.473 -0.282 20 0 GBADLO O=C(C(=O)N1CCO[C@@]2(CCCOC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657741478 1072441661 /nfs/dbraw/zinc/44/16/61/1072441661.db2.gz MGQBNQLAHIZNTG-LPHOPBHVSA-N 1 2 381.473 -0.282 20 0 GBADLO O=C(C(=O)N1CCO[C@]2(CCCOC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657741481 1072441671 /nfs/dbraw/zinc/44/16/71/1072441671.db2.gz MGQBNQLAHIZNTG-QFBILLFUSA-N 1 2 381.473 -0.282 20 0 GBADLO O=C(C(=O)N1CCO[C@]2(CCCOC2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657741483 1072441198 /nfs/dbraw/zinc/44/11/98/1072441198.db2.gz MGQBNQLAHIZNTG-VQIMIIECSA-N 1 2 381.473 -0.282 20 0 GBADLO CC1(C)CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC[N@H+]1CCO ZINC000657741704 1072443297 /nfs/dbraw/zinc/44/32/97/1072443297.db2.gz RLKWJTWAIGEVIB-INIZCTEOSA-N 1 2 382.505 -0.775 20 0 GBADLO CC1(C)CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC[N@@H+]1CCO ZINC000657741704 1072443292 /nfs/dbraw/zinc/44/32/92/1072443292.db2.gz RLKWJTWAIGEVIB-INIZCTEOSA-N 1 2 382.505 -0.775 20 0 GBADLO CC1(C)CN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC[N@H+]1CCO ZINC000657741705 1072443382 /nfs/dbraw/zinc/44/33/82/1072443382.db2.gz RLKWJTWAIGEVIB-MRXNPFEDSA-N 1 2 382.505 -0.775 20 0 GBADLO CC1(C)CN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC[N@@H+]1CCO ZINC000657741705 1072443379 /nfs/dbraw/zinc/44/33/79/1072443379.db2.gz RLKWJTWAIGEVIB-MRXNPFEDSA-N 1 2 382.505 -0.775 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@]2(CCOC2)O1 ZINC000657741726 1072443368 /nfs/dbraw/zinc/44/33/68/1072443368.db2.gz VJDSMJMEJISFHA-GJYPPUQNSA-N 1 2 381.473 -0.284 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@]2(CCOC2)O1 ZINC000657741727 1072443322 /nfs/dbraw/zinc/44/33/22/1072443322.db2.gz VJDSMJMEJISFHA-GPMSIDNRSA-N 1 2 381.473 -0.284 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@]2(CCOC2)O1 ZINC000657741728 1072443010 /nfs/dbraw/zinc/44/30/10/1072443010.db2.gz VJDSMJMEJISFHA-JTDSTZFVSA-N 1 2 381.473 -0.284 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@]2(CCOC2)O1 ZINC000657741729 1072444077 /nfs/dbraw/zinc/44/40/77/1072444077.db2.gz VJDSMJMEJISFHA-MDZRGWNJSA-N 1 2 381.473 -0.284 20 0 GBADLO C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000657743281 1072444780 /nfs/dbraw/zinc/44/47/80/1072444780.db2.gz ADNYEMMSTVFJHC-FGTMMUONSA-N 1 2 396.532 -0.123 20 0 GBADLO C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000657743285 1072445044 /nfs/dbraw/zinc/44/50/44/1072445044.db2.gz ADNYEMMSTVFJHC-KSZLIROESA-N 1 2 396.532 -0.123 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000657743502 1072443959 /nfs/dbraw/zinc/44/39/59/1072443959.db2.gz CLBAYARSAPMWPW-BBWFWOEESA-N 1 2 382.505 -0.777 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@H](C)[N@H+]1CCO ZINC000657743502 1072443956 /nfs/dbraw/zinc/44/39/56/1072443956.db2.gz CLBAYARSAPMWPW-BBWFWOEESA-N 1 2 382.505 -0.777 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000657743505 1072444219 /nfs/dbraw/zinc/44/42/19/1072444219.db2.gz CLBAYARSAPMWPW-IXDOHACOSA-N 1 2 382.505 -0.777 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@H](C)[N@H+]1CCO ZINC000657743505 1072444216 /nfs/dbraw/zinc/44/42/16/1072444216.db2.gz CLBAYARSAPMWPW-IXDOHACOSA-N 1 2 382.505 -0.777 20 0 GBADLO CC(C)OC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000657743537 1072444150 /nfs/dbraw/zinc/44/41/50/1072444150.db2.gz DDPNRCNOZLWFQH-DLBZAZTESA-N 1 2 383.489 -0.038 20 0 GBADLO CC(C)OC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000657743539 1072444171 /nfs/dbraw/zinc/44/41/71/1072444171.db2.gz DDPNRCNOZLWFQH-IAGOWNOFSA-N 1 2 383.489 -0.038 20 0 GBADLO CC(C)OC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000657743541 1072443951 /nfs/dbraw/zinc/44/39/51/1072443951.db2.gz DDPNRCNOZLWFQH-IRXDYDNUSA-N 1 2 383.489 -0.038 20 0 GBADLO CC(C)OC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000657743543 1072443851 /nfs/dbraw/zinc/44/38/51/1072443851.db2.gz DDPNRCNOZLWFQH-SJORKVTESA-N 1 2 383.489 -0.038 20 0 GBADLO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743979 1072445793 /nfs/dbraw/zinc/44/57/93/1072445793.db2.gz FOXKIZDJZJTDPX-CVEARBPZSA-N 1 2 393.488 -0.628 20 0 GBADLO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743984 1072445732 /nfs/dbraw/zinc/44/57/32/1072445732.db2.gz FOXKIZDJZJTDPX-HOTGVXAUSA-N 1 2 393.488 -0.628 20 0 GBADLO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743987 1072445818 /nfs/dbraw/zinc/44/58/18/1072445818.db2.gz FOXKIZDJZJTDPX-HZPDHXFCSA-N 1 2 393.488 -0.628 20 0 GBADLO O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743989 1072445540 /nfs/dbraw/zinc/44/55/40/1072445540.db2.gz FOXKIZDJZJTDPX-JKSUJKDBSA-N 1 2 393.488 -0.628 20 0 GBADLO CC(C)CN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000657744418 1072444911 /nfs/dbraw/zinc/44/49/11/1072444911.db2.gz IZOCABLMYPSQBB-INIZCTEOSA-N 1 2 380.489 -0.364 20 0 GBADLO CC(C)CN1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1=O ZINC000657744419 1072444760 /nfs/dbraw/zinc/44/47/60/1072444760.db2.gz IZOCABLMYPSQBB-MRXNPFEDSA-N 1 2 380.489 -0.364 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN(c2cccnn2)CC1 ZINC000657744620 1072444723 /nfs/dbraw/zinc/44/47/23/1072444723.db2.gz KFYDGXVWKZXPQZ-INIZCTEOSA-N 1 2 388.472 -0.552 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN(c2cccnn2)CC1 ZINC000657744623 1072444712 /nfs/dbraw/zinc/44/47/12/1072444712.db2.gz KFYDGXVWKZXPQZ-MRXNPFEDSA-N 1 2 388.472 -0.552 20 0 GBADLO COCCO[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657744652 1072444819 /nfs/dbraw/zinc/44/48/19/1072444819.db2.gz KMIDGVZVELYHRJ-DLBZAZTESA-N 1 2 383.489 -0.036 20 0 GBADLO COCCO[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657744655 1072444860 /nfs/dbraw/zinc/44/48/60/1072444860.db2.gz KMIDGVZVELYHRJ-IAGOWNOFSA-N 1 2 383.489 -0.036 20 0 GBADLO COCCO[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657744662 1072444793 /nfs/dbraw/zinc/44/47/93/1072444793.db2.gz KMIDGVZVELYHRJ-IRXDYDNUSA-N 1 2 383.489 -0.036 20 0 GBADLO COCCO[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657744664 1072445859 /nfs/dbraw/zinc/44/58/59/1072445859.db2.gz KMIDGVZVELYHRJ-SJORKVTESA-N 1 2 383.489 -0.036 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000657744699 1072447440 /nfs/dbraw/zinc/44/74/40/1072447440.db2.gz KQXCJQVEPIHATP-HDICACEKSA-N 1 2 394.516 -0.367 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000657744699 1072447435 /nfs/dbraw/zinc/44/74/35/1072447435.db2.gz KQXCJQVEPIHATP-HDICACEKSA-N 1 2 394.516 -0.367 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000657744702 1072447804 /nfs/dbraw/zinc/44/78/04/1072447804.db2.gz KQXCJQVEPIHATP-QZTJIDSGSA-N 1 2 394.516 -0.367 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000657744704 1072447488 /nfs/dbraw/zinc/44/74/88/1072447488.db2.gz KQXCJQVEPIHATP-ROUUACIJSA-N 1 2 394.516 -0.367 20 0 GBADLO CCOCCN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657744810 1072446838 /nfs/dbraw/zinc/44/68/38/1072446838.db2.gz MQYYRWZIOTXERS-KRWDZBQOSA-N 1 2 382.505 -0.510 20 0 GBADLO CCOCCN1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657744812 1072446817 /nfs/dbraw/zinc/44/68/17/1072446817.db2.gz MQYYRWZIOTXERS-QGZVFWFLSA-N 1 2 382.505 -0.510 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000657744818 1072446797 /nfs/dbraw/zinc/44/67/97/1072446797.db2.gz MSRMMOWLIVQHOS-DOMZBBRYSA-N 1 2 379.379 -0.165 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000657744821 1072446699 /nfs/dbraw/zinc/44/66/99/1072446699.db2.gz MSRMMOWLIVQHOS-IUODEOHRSA-N 1 2 379.379 -0.165 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000657744823 1072446856 /nfs/dbraw/zinc/44/68/56/1072446856.db2.gz MSRMMOWLIVQHOS-SWLSCSKDSA-N 1 2 379.379 -0.165 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000657744825 1072446846 /nfs/dbraw/zinc/44/68/46/1072446846.db2.gz MSRMMOWLIVQHOS-WFASDCNBSA-N 1 2 379.379 -0.165 20 0 GBADLO CN(C)c1ncc(CN(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000657745194 1072446464 /nfs/dbraw/zinc/44/64/64/1072446464.db2.gz PRHZZVIOIORNAN-INIZCTEOSA-N 1 2 390.488 -0.176 20 0 GBADLO CN(C)c1ncc(CN(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000657745195 1072446556 /nfs/dbraw/zinc/44/65/56/1072446556.db2.gz PRHZZVIOIORNAN-MRXNPFEDSA-N 1 2 390.488 -0.176 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN(c2cnccn2)CC1 ZINC000657745533 1072446759 /nfs/dbraw/zinc/44/67/59/1072446759.db2.gz RHPRBQAEJYXYIB-INIZCTEOSA-N 1 2 388.472 -0.552 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN(c2cnccn2)CC1 ZINC000657745535 1072446588 /nfs/dbraw/zinc/44/65/88/1072446588.db2.gz RHPRBQAEJYXYIB-MRXNPFEDSA-N 1 2 388.472 -0.552 20 0 GBADLO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657746407 1072447469 /nfs/dbraw/zinc/44/74/69/1072447469.db2.gz WMSMQRISQSOSEH-CVEARBPZSA-N 1 2 380.489 -0.173 20 0 GBADLO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657746410 1072447498 /nfs/dbraw/zinc/44/74/98/1072447498.db2.gz WMSMQRISQSOSEH-HOTGVXAUSA-N 1 2 380.489 -0.173 20 0 GBADLO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657746413 1072447574 /nfs/dbraw/zinc/44/75/74/1072447574.db2.gz WMSMQRISQSOSEH-HZPDHXFCSA-N 1 2 380.489 -0.173 20 0 GBADLO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657746417 1072447506 /nfs/dbraw/zinc/44/75/06/1072447506.db2.gz WMSMQRISQSOSEH-JKSUJKDBSA-N 1 2 380.489 -0.173 20 0 GBADLO Cn1cc(N2CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cn1 ZINC000657746489 1072447656 /nfs/dbraw/zinc/44/76/56/1072447656.db2.gz WYPRPNYYYBPDOU-KRWDZBQOSA-N 1 2 390.488 -0.608 20 0 GBADLO Cn1cc(N2CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cn1 ZINC000657746493 1072447800 /nfs/dbraw/zinc/44/78/00/1072447800.db2.gz WYPRPNYYYBPDOU-QGZVFWFLSA-N 1 2 390.488 -0.608 20 0 GBADLO CC(C)OCCN1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657746571 1072446619 /nfs/dbraw/zinc/44/66/19/1072446619.db2.gz XIVBBTNSEGBTML-GOSISDBHSA-N 1 2 396.532 -0.121 20 0 GBADLO CC(C)OCCN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657746575 1072447792 /nfs/dbraw/zinc/44/77/92/1072447792.db2.gz XIVBBTNSEGBTML-SFHVURJKSA-N 1 2 396.532 -0.121 20 0 GBADLO O=C(C(=O)N1CCC[C@H](N2CCCC2=O)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657746784 1072448488 /nfs/dbraw/zinc/44/84/88/1072448488.db2.gz YMPXVUVBPPRBLO-DLBZAZTESA-N 1 2 392.500 -0.077 20 0 GBADLO O=C(C(=O)N1CCC[C@@H](N2CCCC2=O)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657746786 1072449374 /nfs/dbraw/zinc/44/93/74/1072449374.db2.gz YMPXVUVBPPRBLO-IAGOWNOFSA-N 1 2 392.500 -0.077 20 0 GBADLO O=C(C(=O)N1CCC[C@H](N2CCCC2=O)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657746789 1072449574 /nfs/dbraw/zinc/44/95/74/1072449574.db2.gz YMPXVUVBPPRBLO-IRXDYDNUSA-N 1 2 392.500 -0.077 20 0 GBADLO O=C(C(=O)N1CCC[C@@H](N2CCCC2=O)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657746790 1072449556 /nfs/dbraw/zinc/44/95/56/1072449556.db2.gz YMPXVUVBPPRBLO-SJORKVTESA-N 1 2 392.500 -0.077 20 0 GBADLO O=C(Nc1cncc(OCC(F)(F)F)n1)C(=O)N1CC[NH+](CCO)CC1 ZINC000657769680 1072471845 /nfs/dbraw/zinc/47/18/45/1072471845.db2.gz FZFILJLYDSVGJN-UHFFFAOYSA-N 1 2 377.323 -0.507 20 0 GBADLO CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000657770362 1072472662 /nfs/dbraw/zinc/47/26/62/1072472662.db2.gz RBQWLUXESREYEI-UHFFFAOYSA-N 1 2 398.485 -0.453 20 0 GBADLO CC1(C)CN(C(=O)C(=O)N2CCN(Cc3ccncc3)CC2)CC[N@H+]1CCO ZINC000657781021 1072494382 /nfs/dbraw/zinc/49/43/82/1072494382.db2.gz IDKDZSYSYHRSBP-UHFFFAOYSA-N 1 2 389.500 -0.359 20 0 GBADLO CC1(C)CN(C(=O)C(=O)N2CCN(Cc3ccncc3)CC2)CC[N@@H+]1CCO ZINC000657781021 1072494371 /nfs/dbraw/zinc/49/43/71/1072494371.db2.gz IDKDZSYSYHRSBP-UHFFFAOYSA-N 1 2 389.500 -0.359 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3ccnc(OCCO)c3)CC2)cc[nH+]1 ZINC000657788528 1072499492 /nfs/dbraw/zinc/49/94/92/1072499492.db2.gz AZLKBSQNOGCAAG-UHFFFAOYSA-N 1 2 386.412 -0.162 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cncc(OCC(F)(F)F)n2)CC[N@H+]1CCO ZINC000657807445 1072515871 /nfs/dbraw/zinc/51/58/71/1072515871.db2.gz RCKQPTCCAONDEI-JTQLQIEISA-N 1 2 391.350 -0.119 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cncc(OCC(F)(F)F)n2)CC[N@@H+]1CCO ZINC000657807445 1072515866 /nfs/dbraw/zinc/51/58/66/1072515866.db2.gz RCKQPTCCAONDEI-JTQLQIEISA-N 1 2 391.350 -0.119 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cncc(OCC(F)(F)F)n2)CC[N@H+]1CCO ZINC000657807446 1072515536 /nfs/dbraw/zinc/51/55/36/1072515536.db2.gz RCKQPTCCAONDEI-SNVBAGLBSA-N 1 2 391.350 -0.119 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cncc(OCC(F)(F)F)n2)CC[N@@H+]1CCO ZINC000657807446 1072515526 /nfs/dbraw/zinc/51/55/26/1072515526.db2.gz RCKQPTCCAONDEI-SNVBAGLBSA-N 1 2 391.350 -0.119 20 0 GBADLO CCN(C(C)=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cn1 ZINC000657807996 1072516645 /nfs/dbraw/zinc/51/66/45/1072516645.db2.gz YGCIKPAECUZUGN-CYBMUJFWSA-N 1 2 377.445 -0.082 20 0 GBADLO CCN(C(C)=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cn1 ZINC000657807996 1072516636 /nfs/dbraw/zinc/51/66/36/1072516636.db2.gz YGCIKPAECUZUGN-CYBMUJFWSA-N 1 2 377.445 -0.082 20 0 GBADLO CCN(C(C)=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cn1 ZINC000657807997 1072516687 /nfs/dbraw/zinc/51/66/87/1072516687.db2.gz YGCIKPAECUZUGN-ZDUSSCGKSA-N 1 2 377.445 -0.082 20 0 GBADLO CCN(C(C)=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cn1 ZINC000657807997 1072516677 /nfs/dbraw/zinc/51/66/77/1072516677.db2.gz YGCIKPAECUZUGN-ZDUSSCGKSA-N 1 2 377.445 -0.082 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000657856218 1072553394 /nfs/dbraw/zinc/55/33/94/1072553394.db2.gz LZJUENACJXYKPK-KRWDZBQOSA-N 1 2 377.441 -0.151 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000657856219 1072554244 /nfs/dbraw/zinc/55/42/44/1072554244.db2.gz LZJUENACJXYKPK-QGZVFWFLSA-N 1 2 377.441 -0.151 20 0 GBADLO CCOc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nc1C ZINC000657856224 1072553477 /nfs/dbraw/zinc/55/34/77/1072553477.db2.gz MFSWZTRDZNXMPG-AWEZNQCLSA-N 1 2 380.445 -0.121 20 0 GBADLO CCOc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nc1C ZINC000657856225 1072554118 /nfs/dbraw/zinc/55/41/18/1072554118.db2.gz MFSWZTRDZNXMPG-CQSZACIVSA-N 1 2 380.445 -0.121 20 0 GBADLO Cc1cn2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2n1 ZINC000657856228 1072554149 /nfs/dbraw/zinc/55/41/49/1072554149.db2.gz MGKPCLNWPUZDJP-OAHLLOKOSA-N 1 2 375.429 -0.267 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000657909829 1072604685 /nfs/dbraw/zinc/60/46/85/1072604685.db2.gz PZKSUISILXDMRU-UHFFFAOYSA-N 1 2 380.445 -0.040 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000657909829 1072604678 /nfs/dbraw/zinc/60/46/78/1072604678.db2.gz PZKSUISILXDMRU-UHFFFAOYSA-N 1 2 380.445 -0.040 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccnc(OCCO)c2)C[C@H](C)O1 ZINC000657910183 1072607744 /nfs/dbraw/zinc/60/77/44/1072607744.db2.gz TUFVDOKGFKZIPS-OKILXGFUSA-N 1 2 380.445 -0.041 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccnc(OCCO)c2)C[C@H](C)O1 ZINC000657910183 1072607738 /nfs/dbraw/zinc/60/77/38/1072607738.db2.gz TUFVDOKGFKZIPS-OKILXGFUSA-N 1 2 380.445 -0.041 20 0 GBADLO C[NH+]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CC1 ZINC000657934317 1072631365 /nfs/dbraw/zinc/63/13/65/1072631365.db2.gz HGNDEVGLZHHRER-UHFFFAOYSA-N 1 2 379.505 -0.693 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CC1 ZINC000658008622 1072649158 /nfs/dbraw/zinc/64/91/58/1072649158.db2.gz ACOPVAUFRJXWKQ-UHFFFAOYSA-N 1 2 396.444 -0.803 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)nnc2N(C)C)CC1 ZINC000658008713 1072649378 /nfs/dbraw/zinc/64/93/78/1072649378.db2.gz CWIYSCKFMZTTGF-UHFFFAOYSA-N 1 2 394.476 -0.405 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000658179340 1072660933 /nfs/dbraw/zinc/66/09/33/1072660933.db2.gz SGTKQDZIUCCBOS-INIZCTEOSA-N 1 2 380.489 -0.220 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC000658179341 1072660893 /nfs/dbraw/zinc/66/08/93/1072660893.db2.gz SGTKQDZIUCCBOS-MRXNPFEDSA-N 1 2 380.489 -0.220 20 0 GBADLO O=C(C(=O)N1CCCN(C(=O)C2CC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658244615 1072663591 /nfs/dbraw/zinc/66/35/91/1072663591.db2.gz NACPPQXMOFYYKH-KRWDZBQOSA-N 1 2 392.500 -0.220 20 0 GBADLO O=C(C(=O)N1CCCN(C(=O)C2CC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658244616 1072663538 /nfs/dbraw/zinc/66/35/38/1072663538.db2.gz NACPPQXMOFYYKH-QGZVFWFLSA-N 1 2 392.500 -0.220 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)CC1 ZINC000658253879 1072663353 /nfs/dbraw/zinc/66/33/53/1072663353.db2.gz BZVWSOATCOCJAT-INIZCTEOSA-N 1 2 382.505 -0.382 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)C[C@H](O)C2CC2)CC1 ZINC000658253879 1072663348 /nfs/dbraw/zinc/66/33/48/1072663348.db2.gz BZVWSOATCOCJAT-INIZCTEOSA-N 1 2 382.505 -0.382 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC1 ZINC000658253882 1072663643 /nfs/dbraw/zinc/66/36/43/1072663643.db2.gz BZVWSOATCOCJAT-MRXNPFEDSA-N 1 2 382.505 -0.382 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC1 ZINC000658253882 1072663638 /nfs/dbraw/zinc/66/36/38/1072663638.db2.gz BZVWSOATCOCJAT-MRXNPFEDSA-N 1 2 382.505 -0.382 20 0 GBADLO CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000658410558 1072676200 /nfs/dbraw/zinc/67/62/00/1072676200.db2.gz BMTGJYOQDNZWDC-CALCHBBNSA-N 1 2 398.463 -0.206 20 0 GBADLO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000658418833 1072674567 /nfs/dbraw/zinc/67/45/67/1072674567.db2.gz WBGBNSJHECSAKN-HNNXBMFYSA-N 1 2 388.472 -0.056 20 0 GBADLO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000658418834 1072674324 /nfs/dbraw/zinc/67/43/24/1072674324.db2.gz WBGBNSJHECSAKN-OAHLLOKOSA-N 1 2 388.472 -0.056 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN([C@H]2CCOC2)CC1 ZINC000658431933 1072676039 /nfs/dbraw/zinc/67/60/39/1072676039.db2.gz FSOIWLOOAYAJQO-DLBZAZTESA-N 1 2 380.489 -0.757 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN([C@@H]2CCOC2)CC1 ZINC000658431937 1072675714 /nfs/dbraw/zinc/67/57/14/1072675714.db2.gz FSOIWLOOAYAJQO-IAGOWNOFSA-N 1 2 380.489 -0.757 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN([C@H]2CCOC2)CC1 ZINC000658431943 1072675694 /nfs/dbraw/zinc/67/56/94/1072675694.db2.gz FSOIWLOOAYAJQO-IRXDYDNUSA-N 1 2 380.489 -0.757 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000658432819 1072676810 /nfs/dbraw/zinc/67/68/10/1072676810.db2.gz MPZORAIGQXQWQX-DLBZAZTESA-N 1 2 392.500 -0.220 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658432820 1072677059 /nfs/dbraw/zinc/67/70/59/1072677059.db2.gz MPZORAIGQXQWQX-IAGOWNOFSA-N 1 2 392.500 -0.220 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000658432821 1072676887 /nfs/dbraw/zinc/67/68/87/1072676887.db2.gz MPZORAIGQXQWQX-IRXDYDNUSA-N 1 2 392.500 -0.220 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658432822 1072677018 /nfs/dbraw/zinc/67/70/18/1072677018.db2.gz MPZORAIGQXQWQX-SJORKVTESA-N 1 2 392.500 -0.220 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000658434012 1072676968 /nfs/dbraw/zinc/67/69/68/1072676968.db2.gz UYENEEWFRDOIES-CVEARBPZSA-N 1 2 376.461 -0.550 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000658434014 1072676973 /nfs/dbraw/zinc/67/69/73/1072676973.db2.gz UYENEEWFRDOIES-HZPDHXFCSA-N 1 2 376.461 -0.550 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@H](Cn2ccnn2)C1 ZINC000658434017 1072677011 /nfs/dbraw/zinc/67/70/11/1072677011.db2.gz UYENEEWFRDOIES-JKSUJKDBSA-N 1 2 376.461 -0.550 20 0 GBADLO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000658434520 1072677007 /nfs/dbraw/zinc/67/70/07/1072677007.db2.gz XWJOJTYKOVRMGN-CVEARBPZSA-N 1 2 395.504 -0.476 20 0 GBADLO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000658434525 1072676932 /nfs/dbraw/zinc/67/69/32/1072676932.db2.gz XWJOJTYKOVRMGN-HOTGVXAUSA-N 1 2 395.504 -0.476 20 0 GBADLO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000658434529 1072676958 /nfs/dbraw/zinc/67/69/58/1072676958.db2.gz XWJOJTYKOVRMGN-HZPDHXFCSA-N 1 2 395.504 -0.476 20 0 GBADLO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000658434533 1072677756 /nfs/dbraw/zinc/67/77/56/1072677756.db2.gz XWJOJTYKOVRMGN-JKSUJKDBSA-N 1 2 395.504 -0.476 20 0 GBADLO NC(=O)c1csc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000658434574 1072677478 /nfs/dbraw/zinc/67/74/78/1072677478.db2.gz YNMDTDQGJZSWNN-LLVKDONJSA-N 1 2 381.458 -0.819 20 0 GBADLO NC(=O)c1csc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000658434578 1072677494 /nfs/dbraw/zinc/67/74/94/1072677494.db2.gz YNMDTDQGJZSWNN-NSHDSACASA-N 1 2 381.458 -0.819 20 0 GBADLO CO[C@]1(CO)CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000658440845 1072679264 /nfs/dbraw/zinc/67/92/64/1072679264.db2.gz RDCBOZAGRLXNNS-GOSISDBHSA-N 1 2 395.460 -0.846 20 0 GBADLO CO[C@@]1(CO)CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000658440847 1072679144 /nfs/dbraw/zinc/67/91/44/1072679144.db2.gz RDCBOZAGRLXNNS-SFHVURJKSA-N 1 2 395.460 -0.846 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000658443963 1072679873 /nfs/dbraw/zinc/67/98/73/1072679873.db2.gz AZBHUIIATCEELB-CYBMUJFWSA-N 1 2 387.387 -0.618 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2cnc(C(F)(F)F)nc2)CC1 ZINC000658447490 1072688891 /nfs/dbraw/zinc/68/88/91/1072688891.db2.gz RHMNRMAMHHSYPB-UHFFFAOYSA-N 1 2 375.351 -0.098 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(CNC(C)=O)cc2)CC1 ZINC000658447610 1072688963 /nfs/dbraw/zinc/68/89/63/1072688963.db2.gz RXABAKTWGHQIIW-UHFFFAOYSA-N 1 2 376.457 -0.271 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CCC3(COC3)C2)CC1 ZINC000658448539 1072690399 /nfs/dbraw/zinc/69/03/99/1072690399.db2.gz IGQGEIBQHOMZCL-UHFFFAOYSA-N 1 2 385.428 -0.739 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCc2ccoc2)CC1 ZINC000658449714 1072680884 /nfs/dbraw/zinc/68/08/84/1072680884.db2.gz PWHULLDNAOLANF-UHFFFAOYSA-N 1 2 383.412 -0.036 20 0 GBADLO CN(CC1=CCCOC1)C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000658451067 1072681634 /nfs/dbraw/zinc/68/16/34/1072681634.db2.gz WZMZEASQDFGWGD-UHFFFAOYSA-N 1 2 399.455 -0.183 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000658451439 1072682771 /nfs/dbraw/zinc/68/27/71/1072682771.db2.gz YKRASWPQKVIAHK-KBPBESRZSA-N 1 2 399.455 -0.493 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000658451440 1072682633 /nfs/dbraw/zinc/68/26/33/1072682633.db2.gz YKRASWPQKVIAHK-KGLIPLIRSA-N 1 2 399.455 -0.493 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)CC1 ZINC000658451441 1072682705 /nfs/dbraw/zinc/68/27/05/1072682705.db2.gz YKRASWPQKVIAHK-UONOGXRCSA-N 1 2 399.455 -0.493 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000658451442 1072682520 /nfs/dbraw/zinc/68/25/20/1072682520.db2.gz YKRASWPQKVIAHK-ZIAGYGMSSA-N 1 2 399.455 -0.493 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000658452773 1072683186 /nfs/dbraw/zinc/68/31/86/1072683186.db2.gz HIIFIQWYDOKBRM-KBPBESRZSA-N 1 2 378.410 -0.261 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000658452774 1072683206 /nfs/dbraw/zinc/68/32/06/1072683206.db2.gz HIIFIQWYDOKBRM-KGLIPLIRSA-N 1 2 378.410 -0.261 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000658452775 1072683311 /nfs/dbraw/zinc/68/33/11/1072683311.db2.gz HIIFIQWYDOKBRM-UONOGXRCSA-N 1 2 378.410 -0.261 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000658452776 1072683344 /nfs/dbraw/zinc/68/33/44/1072683344.db2.gz HIIFIQWYDOKBRM-ZIAGYGMSSA-N 1 2 378.410 -0.261 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000658459172 1072686847 /nfs/dbraw/zinc/68/68/47/1072686847.db2.gz DJIIASNYHCGXDI-INIZCTEOSA-N 1 2 380.489 -0.362 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)CC1 ZINC000658459173 1072686794 /nfs/dbraw/zinc/68/67/94/1072686794.db2.gz DJIIASNYHCGXDI-MRXNPFEDSA-N 1 2 380.489 -0.362 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000658461127 1072687603 /nfs/dbraw/zinc/68/76/03/1072687603.db2.gz WTAKSGUMEOQGSM-HNNXBMFYSA-N 1 2 383.493 -0.619 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000658461128 1072687486 /nfs/dbraw/zinc/68/74/86/1072687486.db2.gz WTAKSGUMEOQGSM-OAHLLOKOSA-N 1 2 383.493 -0.619 20 0 GBADLO CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)nn1 ZINC000658463764 1072688353 /nfs/dbraw/zinc/68/83/53/1072688353.db2.gz PDZBQYRYYFJYNF-UHFFFAOYSA-N 1 2 388.472 -0.170 20 0 GBADLO CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000658464425 1072688381 /nfs/dbraw/zinc/68/83/81/1072688381.db2.gz PNAXDWZTBZVPMW-RYUDHWBXSA-N 1 2 399.435 -0.026 20 0 GBADLO CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000658464425 1072688380 /nfs/dbraw/zinc/68/83/80/1072688380.db2.gz PNAXDWZTBZVPMW-RYUDHWBXSA-N 1 2 399.435 -0.026 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCC3(COC3)C2)CC1 ZINC000658466545 1072690521 /nfs/dbraw/zinc/69/05/21/1072690521.db2.gz IOVNGULCVHGPLU-UHFFFAOYSA-N 1 2 380.489 -0.362 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCC3(COC3)C2)CC1 ZINC000658466545 1072690518 /nfs/dbraw/zinc/69/05/18/1072690518.db2.gz IOVNGULCVHGPLU-UHFFFAOYSA-N 1 2 380.489 -0.362 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)CC1 ZINC000658467008 1072690492 /nfs/dbraw/zinc/69/04/92/1072690492.db2.gz LPWURZBJRSEQSB-DLBZAZTESA-N 1 2 394.516 -0.116 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3COC[C@H]3C2)CC1 ZINC000658467008 1072690491 /nfs/dbraw/zinc/69/04/91/1072690491.db2.gz LPWURZBJRSEQSB-DLBZAZTESA-N 1 2 394.516 -0.116 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000658467009 1072690448 /nfs/dbraw/zinc/69/04/48/1072690448.db2.gz LPWURZBJRSEQSB-IAGOWNOFSA-N 1 2 394.516 -0.116 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000658467009 1072690444 /nfs/dbraw/zinc/69/04/44/1072690444.db2.gz LPWURZBJRSEQSB-IAGOWNOFSA-N 1 2 394.516 -0.116 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000658467011 1072690481 /nfs/dbraw/zinc/69/04/81/1072690481.db2.gz LPWURZBJRSEQSB-IRXDYDNUSA-N 1 2 394.516 -0.116 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000658467011 1072690479 /nfs/dbraw/zinc/69/04/79/1072690479.db2.gz LPWURZBJRSEQSB-IRXDYDNUSA-N 1 2 394.516 -0.116 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000658467014 1072690341 /nfs/dbraw/zinc/69/03/41/1072690341.db2.gz LPWURZBJRSEQSB-SJORKVTESA-N 1 2 394.516 -0.116 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000658467014 1072690335 /nfs/dbraw/zinc/69/03/35/1072690335.db2.gz LPWURZBJRSEQSB-SJORKVTESA-N 1 2 394.516 -0.116 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@H]2COCCO2)CC1 ZINC000658468478 1072691133 /nfs/dbraw/zinc/69/11/33/1072691133.db2.gz WDPPKOPWCHPEDR-INIZCTEOSA-N 1 2 398.504 -0.737 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)C[C@H]2COCCO2)CC1 ZINC000658468478 1072691127 /nfs/dbraw/zinc/69/11/27/1072691127.db2.gz WDPPKOPWCHPEDR-INIZCTEOSA-N 1 2 398.504 -0.737 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)C[C@@H]2COCCO2)CC1 ZINC000658468479 1072691354 /nfs/dbraw/zinc/69/13/54/1072691354.db2.gz WDPPKOPWCHPEDR-MRXNPFEDSA-N 1 2 398.504 -0.737 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)C[C@@H]2COCCO2)CC1 ZINC000658468479 1072691347 /nfs/dbraw/zinc/69/13/47/1072691347.db2.gz WDPPKOPWCHPEDR-MRXNPFEDSA-N 1 2 398.504 -0.737 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)C[C@H]21 ZINC000658502448 1072694621 /nfs/dbraw/zinc/69/46/21/1072694621.db2.gz UODAAJREJJUBOL-FQUUOJAGSA-N 1 2 396.469 -0.614 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)C[C@H]21 ZINC000658502449 1072694532 /nfs/dbraw/zinc/69/45/32/1072694532.db2.gz UODAAJREJJUBOL-RQJABVFESA-N 1 2 396.469 -0.614 20 0 GBADLO O=C(NCCO[C@@H]1CC1(F)F)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000658509595 1072696026 /nfs/dbraw/zinc/69/60/26/1072696026.db2.gz LXQPZRRABDZZIQ-GFCCVEGCSA-N 1 2 387.387 -0.306 20 0 GBADLO O=C(NCCO[C@H]1CC1(F)F)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000658509598 1072695875 /nfs/dbraw/zinc/69/58/75/1072695875.db2.gz LXQPZRRABDZZIQ-LBPRGKRZSA-N 1 2 387.387 -0.306 20 0 GBADLO O=C(NCCO[C@@H]1CC1(F)F)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000658511456 1072696681 /nfs/dbraw/zinc/69/66/81/1072696681.db2.gz YYFOVNJXWCEGTG-CYBMUJFWSA-N 1 2 387.387 -0.306 20 0 GBADLO O=C(NCCO[C@H]1CC1(F)F)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000658511458 1072696757 /nfs/dbraw/zinc/69/67/57/1072696757.db2.gz YYFOVNJXWCEGTG-ZDUSSCGKSA-N 1 2 387.387 -0.306 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC[N@H+](C(C)C)CC3)C[C@H]21 ZINC000658520374 1072695338 /nfs/dbraw/zinc/69/53/38/1072695338.db2.gz IBAQSPMKOMPLGG-ZNMIVQPWSA-N 1 2 387.502 -0.801 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC[N@@H+](C(C)C)CC3)C[C@H]21 ZINC000658520374 1072695337 /nfs/dbraw/zinc/69/53/37/1072695337.db2.gz IBAQSPMKOMPLGG-ZNMIVQPWSA-N 1 2 387.502 -0.801 20 0 GBADLO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000658520946 1072698210 /nfs/dbraw/zinc/69/82/10/1072698210.db2.gz ASBLSUOMDKMODD-RYUDHWBXSA-N 1 2 399.435 -0.026 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC(n4cc[nH+]c4)CC3)C[C@H]21 ZINC000658522997 1072699079 /nfs/dbraw/zinc/69/90/79/1072699079.db2.gz ZFSYMEGSWBDWFP-ZNMIVQPWSA-N 1 2 396.469 -0.683 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)C[C@H]21 ZINC000658523062 1072699178 /nfs/dbraw/zinc/69/91/78/1072699178.db2.gz SSFKSMMGGZFNLL-MJBXVCDLSA-N 1 2 396.469 -0.614 20 0 GBADLO NC(=O)c1csc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000658532082 1072697623 /nfs/dbraw/zinc/69/76/23/1072697623.db2.gz AFCGBMNFRSQMIU-GFCCVEGCSA-N 1 2 395.485 -0.429 20 0 GBADLO NC(=O)c1csc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000658532083 1072697659 /nfs/dbraw/zinc/69/76/59/1072697659.db2.gz AFCGBMNFRSQMIU-LBPRGKRZSA-N 1 2 395.485 -0.429 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)C[C@H]21 ZINC000658532648 1072698579 /nfs/dbraw/zinc/69/85/79/1072698579.db2.gz ZKMHZBJBOUFMIX-BARDWOONSA-N 1 2 396.469 -0.683 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)C[C@H]21 ZINC000658532649 1072698303 /nfs/dbraw/zinc/69/83/03/1072698303.db2.gz ZKMHZBJBOUFMIX-XQLPTFJDSA-N 1 2 396.469 -0.683 20 0 GBADLO CO[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000658532758 1072698402 /nfs/dbraw/zinc/69/84/02/1072698402.db2.gz HQOYOXPVRGXLER-BRWVUGGUSA-N 1 2 383.489 -0.133 20 0 GBADLO CO[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000658532759 1072698008 /nfs/dbraw/zinc/69/80/08/1072698008.db2.gz HQOYOXPVRGXLER-GVDBMIGSSA-N 1 2 383.489 -0.133 20 0 GBADLO CO[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000658532760 1072698369 /nfs/dbraw/zinc/69/83/69/1072698369.db2.gz HQOYOXPVRGXLER-IXDOHACOSA-N 1 2 383.489 -0.133 20 0 GBADLO CO[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000658532761 1072698572 /nfs/dbraw/zinc/69/85/72/1072698572.db2.gz HQOYOXPVRGXLER-YESZJQIVSA-N 1 2 383.489 -0.133 20 0 GBADLO O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)N1CC[C@H](Cn2ccnn2)C1 ZINC000658533396 1072697490 /nfs/dbraw/zinc/69/74/90/1072697490.db2.gz RXQTZMCTFGRQMQ-DLBZAZTESA-N 1 2 390.488 -0.160 20 0 GBADLO O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000658533397 1072697347 /nfs/dbraw/zinc/69/73/47/1072697347.db2.gz RXQTZMCTFGRQMQ-IAGOWNOFSA-N 1 2 390.488 -0.160 20 0 GBADLO O=C(C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)N1CC[C@H](Cn2ccnn2)C1 ZINC000658533398 1072697401 /nfs/dbraw/zinc/69/74/01/1072697401.db2.gz RXQTZMCTFGRQMQ-IRXDYDNUSA-N 1 2 390.488 -0.160 20 0 GBADLO O=C(C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000658533399 1072697586 /nfs/dbraw/zinc/69/75/86/1072697586.db2.gz RXQTZMCTFGRQMQ-SJORKVTESA-N 1 2 390.488 -0.160 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000658537392 1072700099 /nfs/dbraw/zinc/70/00/99/1072700099.db2.gz UUWDPUPQZUBCAX-UHFFFAOYSA-N 1 2 380.430 -0.777 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC(O)(CO)CC3)c2)CC1 ZINC000658554811 1072706114 /nfs/dbraw/zinc/70/61/14/1072706114.db2.gz MAQMXEKWHMHZBI-UHFFFAOYSA-N 1 2 390.484 -0.282 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000658562049 1072709421 /nfs/dbraw/zinc/70/94/21/1072709421.db2.gz BFRMXIWLMBWZKO-IBGZPJMESA-N 1 2 391.472 -0.083 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000658562050 1072709631 /nfs/dbraw/zinc/70/96/31/1072709631.db2.gz BFRMXIWLMBWZKO-LJQANCHMSA-N 1 2 391.472 -0.083 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C)[C@H]1O ZINC000658564967 1072708723 /nfs/dbraw/zinc/70/87/23/1072708723.db2.gz YQTKAFHRCQCPNZ-FOLVSLTJSA-N 1 2 379.461 -0.371 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C)C1O ZINC000658564969 1072708599 /nfs/dbraw/zinc/70/85/99/1072708599.db2.gz YQTKAFHRCQCPNZ-KBPBESRZSA-N 1 2 379.461 -0.371 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H](C)C1O ZINC000658564971 1072708854 /nfs/dbraw/zinc/70/88/54/1072708854.db2.gz YQTKAFHRCQCPNZ-ZIAGYGMSSA-N 1 2 379.461 -0.371 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000658565316 1072708437 /nfs/dbraw/zinc/70/84/37/1072708437.db2.gz QNHZAKNSGPSGDL-IBGZPJMESA-N 1 2 391.472 -0.083 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000658565318 1072708507 /nfs/dbraw/zinc/70/85/07/1072708507.db2.gz QNHZAKNSGPSGDL-LJQANCHMSA-N 1 2 391.472 -0.083 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)C[C@H]21 ZINC000658582489 1072716631 /nfs/dbraw/zinc/71/66/31/1072716631.db2.gz YMSXYPQBEQRSFH-CFVMTHIKSA-N 1 2 396.469 -0.614 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)C[C@H]21 ZINC000658582489 1072716623 /nfs/dbraw/zinc/71/66/23/1072716623.db2.gz YMSXYPQBEQRSFH-CFVMTHIKSA-N 1 2 396.469 -0.614 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCc2nc(C(N)=O)cs2)C[C@H](C)O1 ZINC000658588496 1072720108 /nfs/dbraw/zinc/72/01/08/1072720108.db2.gz IEEIIVKTQVAUCW-PHIMTYICSA-N 1 2 383.474 -0.574 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCc2nc(C(N)=O)cs2)C[C@H](C)O1 ZINC000658588496 1072720106 /nfs/dbraw/zinc/72/01/06/1072720106.db2.gz IEEIIVKTQVAUCW-PHIMTYICSA-N 1 2 383.474 -0.574 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)C[C@H](C)O1 ZINC000658589265 1072725795 /nfs/dbraw/zinc/72/57/95/1072725795.db2.gz UTTCVTASIXZTTL-OWCLPIDISA-N 1 2 397.520 -0.232 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)C[C@H](C)O1 ZINC000658589265 1072725789 /nfs/dbraw/zinc/72/57/89/1072725789.db2.gz UTTCVTASIXZTTL-OWCLPIDISA-N 1 2 397.520 -0.232 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)C[C@H](C)O1 ZINC000658589266 1072725328 /nfs/dbraw/zinc/72/53/28/1072725328.db2.gz UTTCVTASIXZTTL-XHSDSOJGSA-N 1 2 397.520 -0.232 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)C[C@H](C)O1 ZINC000658589266 1072725325 /nfs/dbraw/zinc/72/53/25/1072725325.db2.gz UTTCVTASIXZTTL-XHSDSOJGSA-N 1 2 397.520 -0.232 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000658589435 1072725584 /nfs/dbraw/zinc/72/55/84/1072725584.db2.gz XPURRBMYMLFHFT-BBWFWOEESA-N 1 2 382.505 -0.513 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000658589435 1072725576 /nfs/dbraw/zinc/72/55/76/1072725576.db2.gz XPURRBMYMLFHFT-BBWFWOEESA-N 1 2 382.505 -0.513 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000658589436 1072725400 /nfs/dbraw/zinc/72/54/00/1072725400.db2.gz XPURRBMYMLFHFT-IXDOHACOSA-N 1 2 382.505 -0.513 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000658589436 1072725394 /nfs/dbraw/zinc/72/53/94/1072725394.db2.gz XPURRBMYMLFHFT-IXDOHACOSA-N 1 2 382.505 -0.513 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)C[C@H](C)O1 ZINC000658589451 1072725751 /nfs/dbraw/zinc/72/57/51/1072725751.db2.gz XYGUXJRKCCPGAH-OWCLPIDISA-N 1 2 378.477 -0.306 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)C[C@H](C)O1 ZINC000658589451 1072725744 /nfs/dbraw/zinc/72/57/44/1072725744.db2.gz XYGUXJRKCCPGAH-OWCLPIDISA-N 1 2 378.477 -0.306 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)C[C@H](C)O1 ZINC000658589452 1072725381 /nfs/dbraw/zinc/72/53/81/1072725381.db2.gz XYGUXJRKCCPGAH-XHSDSOJGSA-N 1 2 378.477 -0.306 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)C[C@H](C)O1 ZINC000658589452 1072725377 /nfs/dbraw/zinc/72/53/77/1072725377.db2.gz XYGUXJRKCCPGAH-XHSDSOJGSA-N 1 2 378.477 -0.306 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000658605813 1072745855 /nfs/dbraw/zinc/74/58/55/1072745855.db2.gz HICDUAUEFYLSBQ-KRWDZBQOSA-N 1 2 395.500 -0.445 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000658605814 1072745599 /nfs/dbraw/zinc/74/55/99/1072745599.db2.gz HICDUAUEFYLSBQ-QGZVFWFLSA-N 1 2 395.500 -0.445 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000658605955 1072745712 /nfs/dbraw/zinc/74/57/12/1072745712.db2.gz JBPUVEHYOSXDTM-MSOLQXFVSA-N 1 2 397.516 -0.054 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000658605956 1072745820 /nfs/dbraw/zinc/74/58/20/1072745820.db2.gz JBPUVEHYOSXDTM-QZTJIDSGSA-N 1 2 397.516 -0.054 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000658605957 1072745654 /nfs/dbraw/zinc/74/56/54/1072745654.db2.gz JBPUVEHYOSXDTM-ROUUACIJSA-N 1 2 397.516 -0.054 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000658605958 1072745830 /nfs/dbraw/zinc/74/58/30/1072745830.db2.gz JBPUVEHYOSXDTM-ZWKOTPCHSA-N 1 2 397.516 -0.054 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC000658606036 1072745745 /nfs/dbraw/zinc/74/57/45/1072745745.db2.gz DOPFMDNQWOYDJE-KRWDZBQOSA-N 1 2 382.505 -0.511 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000658606037 1072745579 /nfs/dbraw/zinc/74/55/79/1072745579.db2.gz DOPFMDNQWOYDJE-QGZVFWFLSA-N 1 2 382.505 -0.511 20 0 GBADLO CO[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C1CCCCC1 ZINC000658606620 1072746581 /nfs/dbraw/zinc/74/65/81/1072746581.db2.gz QHBVCEUZZYQWJW-DLBZAZTESA-N 1 2 385.505 -0.151 20 0 GBADLO CO[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C1CCCCC1 ZINC000658606622 1072746353 /nfs/dbraw/zinc/74/63/53/1072746353.db2.gz QHBVCEUZZYQWJW-IAGOWNOFSA-N 1 2 385.505 -0.151 20 0 GBADLO CO[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C1CCCCC1 ZINC000658606623 1072746463 /nfs/dbraw/zinc/74/64/63/1072746463.db2.gz QHBVCEUZZYQWJW-IRXDYDNUSA-N 1 2 385.505 -0.151 20 0 GBADLO CO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C1CCCCC1 ZINC000658606626 1072746654 /nfs/dbraw/zinc/74/66/54/1072746654.db2.gz QHBVCEUZZYQWJW-SJORKVTESA-N 1 2 385.505 -0.151 20 0 GBADLO COCc1csc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000658606680 1072746365 /nfs/dbraw/zinc/74/63/65/1072746365.db2.gz RIVASERYNWKIOA-AWEZNQCLSA-N 1 2 385.486 -0.338 20 0 GBADLO COCc1csc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000658606682 1072746286 /nfs/dbraw/zinc/74/62/86/1072746286.db2.gz RIVASERYNWKIOA-CQSZACIVSA-N 1 2 385.486 -0.338 20 0 GBADLO COc1cccc(OC)c1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000658606982 1072746623 /nfs/dbraw/zinc/74/66/23/1072746623.db2.gz ULXQJXAUBOEKEQ-AWEZNQCLSA-N 1 2 395.456 -0.529 20 0 GBADLO COc1cccc(OC)c1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000658606984 1072746530 /nfs/dbraw/zinc/74/65/30/1072746530.db2.gz ULXQJXAUBOEKEQ-CQSZACIVSA-N 1 2 395.456 -0.529 20 0 GBADLO COc1cccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1C ZINC000658607014 1072746500 /nfs/dbraw/zinc/74/65/00/1072746500.db2.gz UWSFABMXPVMOJG-INIZCTEOSA-N 1 2 379.457 -0.229 20 0 GBADLO COc1cccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1C ZINC000658607016 1072746229 /nfs/dbraw/zinc/74/62/29/1072746229.db2.gz UWSFABMXPVMOJG-MRXNPFEDSA-N 1 2 379.457 -0.229 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000658607102 1072746630 /nfs/dbraw/zinc/74/66/30/1072746630.db2.gz VRXPFRXNVPKDRC-FUHWJXTLSA-N 1 2 391.468 -0.182 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000658607104 1072746549 /nfs/dbraw/zinc/74/65/49/1072746549.db2.gz VRXPFRXNVPKDRC-SJLPKXTDSA-N 1 2 391.468 -0.182 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)CC1 ZINC000658607657 1072748466 /nfs/dbraw/zinc/74/84/66/1072748466.db2.gz SVNWIVMNNZWCQZ-UHFFFAOYSA-N 1 2 383.474 -0.573 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000658607678 1072748498 /nfs/dbraw/zinc/74/84/98/1072748498.db2.gz UIEBRYLILPFXKU-INIZCTEOSA-N 1 2 397.520 -0.230 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000658607679 1072748527 /nfs/dbraw/zinc/74/85/27/1072748527.db2.gz UIEBRYLILPFXKU-MRXNPFEDSA-N 1 2 397.520 -0.230 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)CC1 ZINC000658607692 1072748350 /nfs/dbraw/zinc/74/83/50/1072748350.db2.gz USQTUKYCTQUJFT-INIZCTEOSA-N 1 2 378.477 -0.304 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)CC1 ZINC000658607693 1072748291 /nfs/dbraw/zinc/74/82/91/1072748291.db2.gz USQTUKYCTQUJFT-MRXNPFEDSA-N 1 2 378.477 -0.304 20 0 GBADLO NC(=O)c1csc(CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000658622303 1072759639 /nfs/dbraw/zinc/75/96/39/1072759639.db2.gz CNYIQVUJAKGIHH-LLVKDONJSA-N 1 2 375.410 -0.067 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)NCc3nc(C(N)=O)cs3)CC2)cc[nH+]1 ZINC000658644251 1072764662 /nfs/dbraw/zinc/76/46/62/1072764662.db2.gz MBVRINSQDVZUIC-UHFFFAOYSA-N 1 2 389.441 -0.695 20 0 GBADLO CO[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@@H]1CCOC1 ZINC000658646164 1072763574 /nfs/dbraw/zinc/76/35/74/1072763574.db2.gz VDDSCJWCMCSQBL-CABCVRRESA-N 1 2 377.445 -0.399 20 0 GBADLO CO[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@H]1CCOC1 ZINC000658646165 1072763945 /nfs/dbraw/zinc/76/39/45/1072763945.db2.gz VDDSCJWCMCSQBL-GJZGRUSLSA-N 1 2 377.445 -0.399 20 0 GBADLO CO[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@@H]1CCOC1 ZINC000658646166 1072763657 /nfs/dbraw/zinc/76/36/57/1072763657.db2.gz VDDSCJWCMCSQBL-HUUCEWRRSA-N 1 2 377.445 -0.399 20 0 GBADLO CO[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@H]1CCOC1 ZINC000658646167 1072763600 /nfs/dbraw/zinc/76/36/00/1072763600.db2.gz VDDSCJWCMCSQBL-LSDHHAIUSA-N 1 2 377.445 -0.399 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CC[C@H](Cn4ccnn4)C3)CC2)cc[nH+]1 ZINC000658646188 1072763485 /nfs/dbraw/zinc/76/34/85/1072763485.db2.gz VZRZAAVAHMCEPQ-HNNXBMFYSA-N 1 2 384.444 -0.426 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CC[C@@H](Cn4ccnn4)C3)CC2)cc[nH+]1 ZINC000658646189 1072764055 /nfs/dbraw/zinc/76/40/55/1072764055.db2.gz VZRZAAVAHMCEPQ-OAHLLOKOSA-N 1 2 384.444 -0.426 20 0 GBADLO C[C@@]12COC[C@@H]1CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C2 ZINC000658662957 1072770269 /nfs/dbraw/zinc/77/02/69/1072770269.db2.gz COBKWATVQCSQAZ-KBXCAEBGSA-N 1 2 377.445 -0.351 20 0 GBADLO C[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C2 ZINC000658662958 1072770322 /nfs/dbraw/zinc/77/03/22/1072770322.db2.gz COBKWATVQCSQAZ-KDOFPFPSSA-N 1 2 377.445 -0.351 20 0 GBADLO C[C@]12COC[C@@H]1CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C2 ZINC000658662959 1072770030 /nfs/dbraw/zinc/77/00/30/1072770030.db2.gz COBKWATVQCSQAZ-KSSFIOAISA-N 1 2 377.445 -0.351 20 0 GBADLO C[C@@]12COC[C@H]1CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C2 ZINC000658662961 1072770608 /nfs/dbraw/zinc/77/06/08/1072770608.db2.gz COBKWATVQCSQAZ-RDTXWAMCSA-N 1 2 377.445 -0.351 20 0 GBADLO C[C@@]12COC[C@@H]1CN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000658663216 1072770394 /nfs/dbraw/zinc/77/03/94/1072770394.db2.gz CRIRSYNLWRQBIM-KBXCAEBGSA-N 1 2 377.445 -0.351 20 0 GBADLO C[C@]12COC[C@H]1CN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000658663217 1072770531 /nfs/dbraw/zinc/77/05/31/1072770531.db2.gz CRIRSYNLWRQBIM-KDOFPFPSSA-N 1 2 377.445 -0.351 20 0 GBADLO C[C@]12COC[C@@H]1CN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000658663218 1072770367 /nfs/dbraw/zinc/77/03/67/1072770367.db2.gz CRIRSYNLWRQBIM-KSSFIOAISA-N 1 2 377.445 -0.351 20 0 GBADLO C[C@@]12COC[C@H]1CN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000658663219 1072770553 /nfs/dbraw/zinc/77/05/53/1072770553.db2.gz CRIRSYNLWRQBIM-RDTXWAMCSA-N 1 2 377.445 -0.351 20 0 GBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000658664621 1072769454 /nfs/dbraw/zinc/76/94/54/1072769454.db2.gz NMMGBEOXQDRDHD-VBKZILBWSA-N 1 2 386.452 -0.004 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(C)CCCn3cc[nH+]c3)C[C@H]21 ZINC000658678059 1072775272 /nfs/dbraw/zinc/77/52/72/1072775272.db2.gz GNLNBGWMVKANNZ-MJBXVCDLSA-N 1 2 384.458 -0.998 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C[C@H]21 ZINC000658678493 530149513 /nfs/dbraw/zinc/14/95/13/530149513.db2.gz JFROTQIFQUEMSW-MJBXVCDLSA-N 1 2 375.491 -0.945 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658687734 1072777739 /nfs/dbraw/zinc/77/77/39/1072777739.db2.gz FVLXTZOCTWWLCD-INIZCTEOSA-N 1 2 382.505 -0.511 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658687734 1072777729 /nfs/dbraw/zinc/77/77/29/1072777729.db2.gz FVLXTZOCTWWLCD-INIZCTEOSA-N 1 2 382.505 -0.511 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658687735 1072777520 /nfs/dbraw/zinc/77/75/20/1072777520.db2.gz FVLXTZOCTWWLCD-MRXNPFEDSA-N 1 2 382.505 -0.511 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658687735 1072777515 /nfs/dbraw/zinc/77/75/15/1072777515.db2.gz FVLXTZOCTWWLCD-MRXNPFEDSA-N 1 2 382.505 -0.511 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000658688111 1072777157 /nfs/dbraw/zinc/77/71/57/1072777157.db2.gz KMKDBRNJXACHBG-UHFFFAOYSA-N 1 2 383.474 -0.573 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000658688111 1072777145 /nfs/dbraw/zinc/77/71/45/1072777145.db2.gz KMKDBRNJXACHBG-UHFFFAOYSA-N 1 2 383.474 -0.573 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000658688327 1072776162 /nfs/dbraw/zinc/77/61/62/1072776162.db2.gz OLRQZWKDVLINFI-HNNXBMFYSA-N 1 2 378.477 -0.304 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000658688327 1072776152 /nfs/dbraw/zinc/77/61/52/1072776152.db2.gz OLRQZWKDVLINFI-HNNXBMFYSA-N 1 2 378.477 -0.304 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000658688332 1072776646 /nfs/dbraw/zinc/77/66/46/1072776646.db2.gz OLRQZWKDVLINFI-OAHLLOKOSA-N 1 2 378.477 -0.304 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000658688332 1072776637 /nfs/dbraw/zinc/77/66/37/1072776637.db2.gz OLRQZWKDVLINFI-OAHLLOKOSA-N 1 2 378.477 -0.304 20 0 GBADLO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000658688918 1072777293 /nfs/dbraw/zinc/77/72/93/1072777293.db2.gz VWDOZVDJVNHAED-HNNXBMFYSA-N 1 2 397.520 -0.230 20 0 GBADLO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000658688918 1072777286 /nfs/dbraw/zinc/77/72/86/1072777286.db2.gz VWDOZVDJVNHAED-HNNXBMFYSA-N 1 2 397.520 -0.230 20 0 GBADLO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000658688919 1072777483 /nfs/dbraw/zinc/77/74/83/1072777483.db2.gz VWDOZVDJVNHAED-OAHLLOKOSA-N 1 2 397.520 -0.230 20 0 GBADLO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000658688919 1072777473 /nfs/dbraw/zinc/77/74/73/1072777473.db2.gz VWDOZVDJVNHAED-OAHLLOKOSA-N 1 2 397.520 -0.230 20 0 GBADLO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000658699216 1072780017 /nfs/dbraw/zinc/78/00/17/1072780017.db2.gz HCTNHTPHPPZPSC-DGADGQDISA-N 1 2 399.513 -0.658 20 0 GBADLO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000658699216 1072780011 /nfs/dbraw/zinc/78/00/11/1072780011.db2.gz HCTNHTPHPPZPSC-DGADGQDISA-N 1 2 399.513 -0.658 20 0 GBADLO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000658709013 1072784142 /nfs/dbraw/zinc/78/41/42/1072784142.db2.gz BJDMWIKMFZDXLU-KBPBESRZSA-N 1 2 376.461 -0.050 20 0 GBADLO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000658709016 1072783735 /nfs/dbraw/zinc/78/37/35/1072783735.db2.gz BJDMWIKMFZDXLU-KGLIPLIRSA-N 1 2 376.461 -0.050 20 0 GBADLO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000658709020 1072784130 /nfs/dbraw/zinc/78/41/30/1072784130.db2.gz BJDMWIKMFZDXLU-UONOGXRCSA-N 1 2 376.461 -0.050 20 0 GBADLO CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000658709024 1072783846 /nfs/dbraw/zinc/78/38/46/1072783846.db2.gz BJDMWIKMFZDXLU-ZIAGYGMSSA-N 1 2 376.461 -0.050 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CC[C@H](c4[nH+]ccn4C)C3)C[C@H]21 ZINC000658709890 1072783483 /nfs/dbraw/zinc/78/34/83/1072783483.db2.gz NRSOXASSIOPWHX-FQUUOJAGSA-N 1 2 396.469 -0.994 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)C[C@H]21 ZINC000658709894 1072783797 /nfs/dbraw/zinc/78/37/97/1072783797.db2.gz NRSOXASSIOPWHX-RQJABVFESA-N 1 2 396.469 -0.994 20 0 GBADLO O=C(NCC(O)(C1CC1)C1CC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000658711403 1072784900 /nfs/dbraw/zinc/78/49/00/1072784900.db2.gz SDVQIXMSBNJXCV-UHFFFAOYSA-N 1 2 391.472 -0.179 20 0 GBADLO O=C(NCC(O)(C1CC1)C1CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000658711720 1072784021 /nfs/dbraw/zinc/78/40/21/1072784021.db2.gz WGHWSMSUVZLIMI-UHFFFAOYSA-N 1 2 391.472 -0.179 20 0 GBADLO O=C(NC[C@@H](CO)CC1CC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000658713418 1072784149 /nfs/dbraw/zinc/78/41/49/1072784149.db2.gz LRYKQPWTVKMHAM-HNNXBMFYSA-N 1 2 379.461 -0.321 20 0 GBADLO O=C(NC[C@H](CO)CC1CC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000658713419 1072783541 /nfs/dbraw/zinc/78/35/41/1072783541.db2.gz LRYKQPWTVKMHAM-OAHLLOKOSA-N 1 2 379.461 -0.321 20 0 GBADLO O=C(NC[C@@H](CO)CC1CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000658713914 1072785070 /nfs/dbraw/zinc/78/50/70/1072785070.db2.gz RXFXUTWLBNTRFC-HNNXBMFYSA-N 1 2 379.461 -0.321 20 0 GBADLO O=C(NC[C@H](CO)CC1CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000658713915 1072784769 /nfs/dbraw/zinc/78/47/69/1072784769.db2.gz RXFXUTWLBNTRFC-OAHLLOKOSA-N 1 2 379.461 -0.321 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC(=O)N(C)CC1 ZINC000658718039 1072786809 /nfs/dbraw/zinc/78/68/09/1072786809.db2.gz MSJKPTLUMXPMOC-UHFFFAOYSA-N 1 2 375.429 -0.144 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000658718926 1072786306 /nfs/dbraw/zinc/78/63/06/1072786306.db2.gz AAWSSWQFTVQGCA-KBPBESRZSA-N 1 2 377.445 -0.427 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000658718928 1072786320 /nfs/dbraw/zinc/78/63/20/1072786320.db2.gz AAWSSWQFTVQGCA-KGLIPLIRSA-N 1 2 377.445 -0.427 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000658718930 1072786282 /nfs/dbraw/zinc/78/62/82/1072786282.db2.gz AAWSSWQFTVQGCA-UONOGXRCSA-N 1 2 377.445 -0.427 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000658718932 1072786558 /nfs/dbraw/zinc/78/65/58/1072786558.db2.gz AAWSSWQFTVQGCA-ZIAGYGMSSA-N 1 2 377.445 -0.427 20 0 GBADLO Cn1[nH]cnc1=NC(=O)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000658720488 1072786705 /nfs/dbraw/zinc/78/67/05/1072786705.db2.gz TWGOLPNDHMBQFO-UHFFFAOYSA-N 1 2 383.456 -0.354 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000658727622 1072787373 /nfs/dbraw/zinc/78/73/73/1072787373.db2.gz XCVOAJAUZPFHGY-CABCVRRESA-N 1 2 377.445 -0.427 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000658727623 1072787581 /nfs/dbraw/zinc/78/75/81/1072787581.db2.gz XCVOAJAUZPFHGY-GJZGRUSLSA-N 1 2 377.445 -0.427 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000658727624 1072787613 /nfs/dbraw/zinc/78/76/13/1072787613.db2.gz XCVOAJAUZPFHGY-HUUCEWRRSA-N 1 2 377.445 -0.427 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000658727625 1072787699 /nfs/dbraw/zinc/78/76/99/1072787699.db2.gz XCVOAJAUZPFHGY-LSDHHAIUSA-N 1 2 377.445 -0.427 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)C[C@H]21 ZINC000658745066 1072792755 /nfs/dbraw/zinc/79/27/55/1072792755.db2.gz QKSOIOYLHJZTIH-XQQFMLRXSA-N 1 2 378.410 -0.457 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)Nc3ccn4cc[nH+]c4c3)C[C@H]21 ZINC000658745098 1072792973 /nfs/dbraw/zinc/79/29/73/1072792973.db2.gz RCLWXOBIBDGVFA-XQQFMLRXSA-N 1 2 378.410 -0.457 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc4[nH+]c(C)cn4c3)C[C@H]21 ZINC000658745640 1072792297 /nfs/dbraw/zinc/79/22/97/1072792297.db2.gz YXJMVFNDMPHPHZ-MJBXVCDLSA-N 1 2 392.437 -0.148 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCc3nccnc3C2)CC1 ZINC000658752263 1072793875 /nfs/dbraw/zinc/79/38/75/1072793875.db2.gz AOPXATLEKYVMPI-UHFFFAOYSA-N 1 2 377.445 -0.833 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2nccc(OC)c2F)CC1 ZINC000658753739 1072794247 /nfs/dbraw/zinc/79/42/47/1072794247.db2.gz JFTYUSZEDGOBJZ-UHFFFAOYSA-N 1 2 398.435 -0.349 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCc2cncc(C)n2)CC1 ZINC000658753831 1072795341 /nfs/dbraw/zinc/79/53/41/1072795341.db2.gz LELNQWBTNJYLLD-UHFFFAOYSA-N 1 2 379.461 -0.751 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@](O)(C3CC3)C2)CC1 ZINC000658754073 1072793567 /nfs/dbraw/zinc/79/35/67/1072793567.db2.gz MTCFINGZFAKRDG-IBGZPJMESA-N 1 2 383.489 -0.445 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@](O)(C3CC3)C2)CC1 ZINC000658754076 1072794220 /nfs/dbraw/zinc/79/42/20/1072794220.db2.gz MTCFINGZFAKRDG-LJQANCHMSA-N 1 2 383.489 -0.445 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)Cc2nnc(C)s2)CC1 ZINC000658754103 1072793724 /nfs/dbraw/zinc/79/37/24/1072793724.db2.gz MYOBEXOZEZRVDT-UHFFFAOYSA-N 1 2 385.490 -0.389 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCc2cnccc2C)CC1 ZINC000658755075 1072794921 /nfs/dbraw/zinc/79/49/21/1072794921.db2.gz YKDXODXROBMGMU-UHFFFAOYSA-N 1 2 378.473 -0.146 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCO[C@@H]2CC2(F)F)CC1 ZINC000658755076 1072794901 /nfs/dbraw/zinc/79/49/01/1072794901.db2.gz YMQIKFBTDRQWNP-CYBMUJFWSA-N 1 2 379.404 -0.668 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCCO[C@H]2CC2(F)F)CC1 ZINC000658755077 1072794661 /nfs/dbraw/zinc/79/46/61/1072794661.db2.gz YMQIKFBTDRQWNP-ZDUSSCGKSA-N 1 2 379.404 -0.668 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@](C)(C3CC3)C2)CC1 ZINC000658755109 1072794644 /nfs/dbraw/zinc/79/46/44/1072794644.db2.gz ZLLBFKOIFXLEKU-IBGZPJMESA-N 1 2 383.489 -0.181 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@](C)(C3CC3)C2)CC1 ZINC000658755110 1072794795 /nfs/dbraw/zinc/79/47/95/1072794795.db2.gz ZLLBFKOIFXLEKU-LJQANCHMSA-N 1 2 383.489 -0.181 20 0 GBADLO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000658757863 1072796016 /nfs/dbraw/zinc/79/60/16/1072796016.db2.gz OAIJNZBJLDUWON-SRVKXCTJSA-N 1 2 399.435 -0.027 20 0 GBADLO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000658757863 1072796006 /nfs/dbraw/zinc/79/60/06/1072796006.db2.gz OAIJNZBJLDUWON-SRVKXCTJSA-N 1 2 399.435 -0.027 20 0 GBADLO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000658757864 1072796215 /nfs/dbraw/zinc/79/62/15/1072796215.db2.gz OAIJNZBJLDUWON-WOPDTQHZSA-N 1 2 399.435 -0.027 20 0 GBADLO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000658757864 1072796204 /nfs/dbraw/zinc/79/62/04/1072796204.db2.gz OAIJNZBJLDUWON-WOPDTQHZSA-N 1 2 399.435 -0.027 20 0 GBADLO CCCN(C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658769996 1072800816 /nfs/dbraw/zinc/80/08/16/1072800816.db2.gz BDVNSGWGXFTNQM-APIJFGDWSA-N 1 2 387.502 -0.801 20 0 GBADLO CCCN(C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1)[C@@H]1CC[N@H+](C)C1 ZINC000658769996 1072800800 /nfs/dbraw/zinc/80/08/00/1072800800.db2.gz BDVNSGWGXFTNQM-APIJFGDWSA-N 1 2 387.502 -0.801 20 0 GBADLO CCCN(C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1)[C@H]1CC[N@@H+](C)C1 ZINC000658769998 1072800886 /nfs/dbraw/zinc/80/08/86/1072800886.db2.gz BDVNSGWGXFTNQM-LJISPDSOSA-N 1 2 387.502 -0.801 20 0 GBADLO CCCN(C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1)[C@H]1CC[N@H+](C)C1 ZINC000658769998 1072800881 /nfs/dbraw/zinc/80/08/81/1072800881.db2.gz BDVNSGWGXFTNQM-LJISPDSOSA-N 1 2 387.502 -0.801 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(C)CC[NH+]3CCCCC3)C[C@H]21 ZINC000658781553 1072807491 /nfs/dbraw/zinc/80/74/91/1072807491.db2.gz CIHXDGSCFLDWIQ-ZNMIVQPWSA-N 1 2 387.502 -0.799 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N(CCOCCO)C1CCC1 ZINC000658787429 1072811761 /nfs/dbraw/zinc/81/17/61/1072811761.db2.gz OVBBFRSSLWLSDO-KRWDZBQOSA-N 1 2 383.489 -0.300 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N(CCOCCO)C1CCC1 ZINC000658787432 1072811773 /nfs/dbraw/zinc/81/17/73/1072811773.db2.gz OVBBFRSSLWLSDO-QGZVFWFLSA-N 1 2 383.489 -0.300 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(CCOCCO)C1CCC1 ZINC000658789822 1072815418 /nfs/dbraw/zinc/81/54/18/1072815418.db2.gz SNNONICWJJROEV-UHFFFAOYSA-N 1 2 385.505 -0.054 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(CCOCCO)C1CCC1 ZINC000658789822 1072815406 /nfs/dbraw/zinc/81/54/06/1072815406.db2.gz SNNONICWJJROEV-UHFFFAOYSA-N 1 2 385.505 -0.054 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(CCOCCO)C2CCC2)C[C@H](C)O1 ZINC000658789903 1072816790 /nfs/dbraw/zinc/81/67/90/1072816790.db2.gz VBERYOCSYCINHV-IYBDPMFKSA-N 1 2 385.505 -0.056 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(CCOCCO)C2CCC2)C[C@H](C)O1 ZINC000658789903 1072816786 /nfs/dbraw/zinc/81/67/86/1072816786.db2.gz VBERYOCSYCINHV-IYBDPMFKSA-N 1 2 385.505 -0.056 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N(CCOCCO)C3CCC3)CC2)cc[nH+]1 ZINC000658789910 1072816316 /nfs/dbraw/zinc/81/63/16/1072816316.db2.gz VEUSZEDMKHASCS-UHFFFAOYSA-N 1 2 391.472 -0.176 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N(CCOCCO)C1CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658790958 1072818160 /nfs/dbraw/zinc/81/81/60/1072818160.db2.gz QVSBBEVRSQJBDO-HRCADAONSA-N 1 2 385.505 -0.010 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N(CCOCCO)C1CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658790958 1072818152 /nfs/dbraw/zinc/81/81/52/1072818152.db2.gz QVSBBEVRSQJBDO-HRCADAONSA-N 1 2 385.505 -0.010 20 0 GBADLO C[C@H](CNC(=O)C(=O)N(CCOCCO)C1CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658790959 1072818188 /nfs/dbraw/zinc/81/81/88/1072818188.db2.gz QVSBBEVRSQJBDO-OAGGEKHMSA-N 1 2 385.505 -0.010 20 0 GBADLO C[C@H](CNC(=O)C(=O)N(CCOCCO)C1CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658790959 1072818179 /nfs/dbraw/zinc/81/81/79/1072818179.db2.gz QVSBBEVRSQJBDO-OAGGEKHMSA-N 1 2 385.505 -0.010 20 0 GBADLO CC(C)n1[nH]cnc1=NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000658792750 1072820323 /nfs/dbraw/zinc/82/03/23/1072820323.db2.gz JVJKOPOXLMTMOT-ZIAGYGMSSA-N 1 2 376.461 -0.021 20 0 GBADLO COCCC1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000658799494 1072826682 /nfs/dbraw/zinc/82/66/82/1072826682.db2.gz PDVFEFOBZOCMFG-UHFFFAOYSA-N 1 2 387.444 -0.493 20 0 GBADLO CCN(C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658803239 1072831902 /nfs/dbraw/zinc/83/19/02/1072831902.db2.gz OSLQTVPWYUGKAZ-SRVKXCTJSA-N 1 2 399.435 -0.027 20 0 GBADLO CCN(C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)[C@H]1CC[N@H+](C)C1 ZINC000658803239 1072831892 /nfs/dbraw/zinc/83/18/92/1072831892.db2.gz OSLQTVPWYUGKAZ-SRVKXCTJSA-N 1 2 399.435 -0.027 20 0 GBADLO CCN(C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658803240 1072832108 /nfs/dbraw/zinc/83/21/08/1072832108.db2.gz OSLQTVPWYUGKAZ-WOPDTQHZSA-N 1 2 399.435 -0.027 20 0 GBADLO CCN(C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658803240 1072832096 /nfs/dbraw/zinc/83/20/96/1072832096.db2.gz OSLQTVPWYUGKAZ-WOPDTQHZSA-N 1 2 399.435 -0.027 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOc2ccccc2C1 ZINC000658817910 1072851614 /nfs/dbraw/zinc/85/16/14/1072851614.db2.gz FPZFHBSZGDRPEY-INIZCTEOSA-N 1 2 377.441 -0.441 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOc2ccccc2C1 ZINC000658817911 1072851989 /nfs/dbraw/zinc/85/19/89/1072851989.db2.gz FPZFHBSZGDRPEY-MRXNPFEDSA-N 1 2 377.441 -0.441 20 0 GBADLO CCN(C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658823204 1072859310 /nfs/dbraw/zinc/85/93/10/1072859310.db2.gz VGMHNEIEUDOMNW-APIJFGDWSA-N 1 2 387.502 -0.801 20 0 GBADLO CCN(C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658823204 1072859297 /nfs/dbraw/zinc/85/92/97/1072859297.db2.gz VGMHNEIEUDOMNW-APIJFGDWSA-N 1 2 387.502 -0.801 20 0 GBADLO CCN(C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658823205 1072859474 /nfs/dbraw/zinc/85/94/74/1072859474.db2.gz VGMHNEIEUDOMNW-LJISPDSOSA-N 1 2 387.502 -0.801 20 0 GBADLO CCN(C(=O)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1)[C@H]1CC[N@H+](CC)C1 ZINC000658823205 1072859454 /nfs/dbraw/zinc/85/94/54/1072859454.db2.gz VGMHNEIEUDOMNW-LJISPDSOSA-N 1 2 387.502 -0.801 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000658837310 1072888687 /nfs/dbraw/zinc/88/86/87/1072888687.db2.gz FSAXEQZQBYQRLQ-CABCVRRESA-N 1 2 377.445 -0.351 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000658837311 1072888922 /nfs/dbraw/zinc/88/89/22/1072888922.db2.gz FSAXEQZQBYQRLQ-GJZGRUSLSA-N 1 2 377.445 -0.351 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000658837312 1072888537 /nfs/dbraw/zinc/88/85/37/1072888537.db2.gz FSAXEQZQBYQRLQ-HUUCEWRRSA-N 1 2 377.445 -0.351 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000658837313 1072888484 /nfs/dbraw/zinc/88/84/84/1072888484.db2.gz FSAXEQZQBYQRLQ-LSDHHAIUSA-N 1 2 377.445 -0.351 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000658848370 1072896978 /nfs/dbraw/zinc/89/69/78/1072896978.db2.gz QBZVFGGLNMDKDN-CABCVRRESA-N 1 2 377.445 -0.351 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000658848371 1072897119 /nfs/dbraw/zinc/89/71/19/1072897119.db2.gz QBZVFGGLNMDKDN-GJZGRUSLSA-N 1 2 377.445 -0.351 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000658848372 1072897057 /nfs/dbraw/zinc/89/70/57/1072897057.db2.gz QBZVFGGLNMDKDN-HUUCEWRRSA-N 1 2 377.445 -0.351 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000658848373 1072897179 /nfs/dbraw/zinc/89/71/79/1072897179.db2.gz QBZVFGGLNMDKDN-LSDHHAIUSA-N 1 2 377.445 -0.351 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658849507 1072898531 /nfs/dbraw/zinc/89/85/31/1072898531.db2.gz LSSSJILPFGMWDT-MWDXBVQZSA-N 1 2 382.505 -0.467 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658849507 1072898519 /nfs/dbraw/zinc/89/85/19/1072898519.db2.gz LSSSJILPFGMWDT-MWDXBVQZSA-N 1 2 382.505 -0.467 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658849508 1072899081 /nfs/dbraw/zinc/89/90/81/1072899081.db2.gz LSSSJILPFGMWDT-NCOADZHNSA-N 1 2 382.505 -0.467 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658849508 1072899070 /nfs/dbraw/zinc/89/90/70/1072899070.db2.gz LSSSJILPFGMWDT-NCOADZHNSA-N 1 2 382.505 -0.467 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658849510 1072899044 /nfs/dbraw/zinc/89/90/44/1072899044.db2.gz LSSSJILPFGMWDT-NXOAAHMSSA-N 1 2 382.505 -0.467 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658849510 1072899034 /nfs/dbraw/zinc/89/90/34/1072899034.db2.gz LSSSJILPFGMWDT-NXOAAHMSSA-N 1 2 382.505 -0.467 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658849511 1072898696 /nfs/dbraw/zinc/89/86/96/1072898696.db2.gz LSSSJILPFGMWDT-WCXIOVBPSA-N 1 2 382.505 -0.467 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658849511 1072898691 /nfs/dbraw/zinc/89/86/91/1072898691.db2.gz LSSSJILPFGMWDT-WCXIOVBPSA-N 1 2 382.505 -0.467 20 0 GBADLO C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000658872116 1072920865 /nfs/dbraw/zinc/92/08/65/1072920865.db2.gz VGCZYFJXSGZFCS-GXTWGEPZSA-N 1 2 387.444 -0.616 20 0 GBADLO C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000658872117 1072921097 /nfs/dbraw/zinc/92/10/97/1072921097.db2.gz VGCZYFJXSGZFCS-TZMCWYRMSA-N 1 2 387.444 -0.616 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658880618 1072928877 /nfs/dbraw/zinc/92/88/77/1072928877.db2.gz NMYSGHSDMZTVDV-CAOSSQGBSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658880618 1072928870 /nfs/dbraw/zinc/92/88/70/1072928870.db2.gz NMYSGHSDMZTVDV-CAOSSQGBSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658880620 1072928773 /nfs/dbraw/zinc/92/87/73/1072928773.db2.gz NMYSGHSDMZTVDV-JONQDZQNSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@@H](CNC(=O)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658880620 1072928767 /nfs/dbraw/zinc/92/87/67/1072928767.db2.gz NMYSGHSDMZTVDV-JONQDZQNSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658880622 1072928819 /nfs/dbraw/zinc/92/88/19/1072928819.db2.gz NMYSGHSDMZTVDV-LVQVYYBASA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658880622 1072928815 /nfs/dbraw/zinc/92/88/15/1072928815.db2.gz NMYSGHSDMZTVDV-LVQVYYBASA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658880623 1072928852 /nfs/dbraw/zinc/92/88/52/1072928852.db2.gz NMYSGHSDMZTVDV-WCVJEAGWSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](CNC(=O)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658880623 1072928849 /nfs/dbraw/zinc/92/88/49/1072928849.db2.gz NMYSGHSDMZTVDV-WCVJEAGWSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)CC1 ZINC000658880931 1072928352 /nfs/dbraw/zinc/92/83/52/1072928352.db2.gz BBBNPCFTLIRROC-INIZCTEOSA-N 1 2 382.505 -0.918 20 0 GBADLO C[C@@H]1COC2(CCCC2)CN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000658881332 1072927585 /nfs/dbraw/zinc/92/75/85/1072927585.db2.gz GLTKFGZCSFUQBI-CVEARBPZSA-N 1 2 383.489 -0.302 20 0 GBADLO C[C@H]1COC2(CCCC2)CN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000658881335 1072927754 /nfs/dbraw/zinc/92/77/54/1072927754.db2.gz GLTKFGZCSFUQBI-HOTGVXAUSA-N 1 2 383.489 -0.302 20 0 GBADLO C[C@@H]1COC2(CCCC2)CN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000658881337 1072927607 /nfs/dbraw/zinc/92/76/07/1072927607.db2.gz GLTKFGZCSFUQBI-HZPDHXFCSA-N 1 2 383.489 -0.302 20 0 GBADLO C[C@H]1COC2(CCCC2)CN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000658881339 1072927660 /nfs/dbraw/zinc/92/76/60/1072927660.db2.gz GLTKFGZCSFUQBI-JKSUJKDBSA-N 1 2 383.489 -0.302 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)CC1 ZINC000658881924 1072249378 /nfs/dbraw/zinc/24/93/78/1072249378.db2.gz HEZFVDSDLGAVPJ-UHFFFAOYSA-N 1 2 396.532 -0.262 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)CC1 ZINC000658882722 1072929295 /nfs/dbraw/zinc/92/92/95/1072929295.db2.gz LJJVMEAFQODPFO-UHFFFAOYSA-N 1 2 382.505 -0.652 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@]1(C)CO ZINC000658895733 1072940511 /nfs/dbraw/zinc/94/05/11/1072940511.db2.gz CEXOLOGOEYEWRX-KBXCAEBGSA-N 1 2 379.461 -0.369 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@]1(C)CO ZINC000658895734 1072940417 /nfs/dbraw/zinc/94/04/17/1072940417.db2.gz CEXOLOGOEYEWRX-KDOFPFPSSA-N 1 2 379.461 -0.369 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@]1(C)CO ZINC000658895735 1072940224 /nfs/dbraw/zinc/94/02/24/1072940224.db2.gz CEXOLOGOEYEWRX-KSSFIOAISA-N 1 2 379.461 -0.369 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@]1(C)CO ZINC000658895736 1072940374 /nfs/dbraw/zinc/94/03/74/1072940374.db2.gz CEXOLOGOEYEWRX-RDTXWAMCSA-N 1 2 379.461 -0.369 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@]1(C)CO ZINC000658896302 1072939613 /nfs/dbraw/zinc/93/96/13/1072939613.db2.gz FDXMIPFKWWAKHI-KBXCAEBGSA-N 1 2 379.461 -0.369 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@]1(C)CO ZINC000658896303 1072939602 /nfs/dbraw/zinc/93/96/02/1072939602.db2.gz FDXMIPFKWWAKHI-KDOFPFPSSA-N 1 2 379.461 -0.369 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@]1(C)CO ZINC000658896304 1072939477 /nfs/dbraw/zinc/93/94/77/1072939477.db2.gz FDXMIPFKWWAKHI-KSSFIOAISA-N 1 2 379.461 -0.369 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@]1(C)CO ZINC000658896305 1072939166 /nfs/dbraw/zinc/93/91/66/1072939166.db2.gz FDXMIPFKWWAKHI-RDTXWAMCSA-N 1 2 379.461 -0.369 20 0 GBADLO CCOc1ccc(N2CCN(C(=O)C(=O)N3CCn4c[nH+]cc4C3)CC2)nn1 ZINC000658919057 1072957506 /nfs/dbraw/zinc/95/75/06/1072957506.db2.gz IMJROJLNZQXZDF-UHFFFAOYSA-N 1 2 385.428 -0.237 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000659111962 1072998460 /nfs/dbraw/zinc/99/84/60/1072998460.db2.gz GCSGNGPPCJTFCG-CABCVRRESA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000659111962 1072998455 /nfs/dbraw/zinc/99/84/55/1072998455.db2.gz GCSGNGPPCJTFCG-CABCVRRESA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000659111964 1072998494 /nfs/dbraw/zinc/99/84/94/1072998494.db2.gz GCSGNGPPCJTFCG-GJZGRUSLSA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000659111964 1072998487 /nfs/dbraw/zinc/99/84/87/1072998487.db2.gz GCSGNGPPCJTFCG-GJZGRUSLSA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000659111966 1072998392 /nfs/dbraw/zinc/99/83/92/1072998392.db2.gz GCSGNGPPCJTFCG-HUUCEWRRSA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000659111966 1072998389 /nfs/dbraw/zinc/99/83/89/1072998389.db2.gz GCSGNGPPCJTFCG-HUUCEWRRSA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000659111967 1072998880 /nfs/dbraw/zinc/99/88/80/1072998880.db2.gz GCSGNGPPCJTFCG-LSDHHAIUSA-N 1 2 380.489 -0.175 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000659111967 1072998875 /nfs/dbraw/zinc/99/88/75/1072998875.db2.gz GCSGNGPPCJTFCG-LSDHHAIUSA-N 1 2 380.489 -0.175 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)C[C@H](C)O1 ZINC000659112034 1072999615 /nfs/dbraw/zinc/99/96/15/1072999615.db2.gz JBAUJGNNRBLISM-FZKCQIBNSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)C[C@H](C)O1 ZINC000659112034 1072999611 /nfs/dbraw/zinc/99/96/11/1072999611.db2.gz JBAUJGNNRBLISM-FZKCQIBNSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C[C@H](C)O1 ZINC000659112037 1072999924 /nfs/dbraw/zinc/99/99/24/1072999924.db2.gz JBAUJGNNRBLISM-QKPAOTATSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C[C@H](C)O1 ZINC000659112037 1072999916 /nfs/dbraw/zinc/99/99/16/1072999916.db2.gz JBAUJGNNRBLISM-QKPAOTATSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C[C@H](C)O1 ZINC000659112039 1072999855 /nfs/dbraw/zinc/99/98/55/1072999855.db2.gz JBAUJGNNRBLISM-QXSJWSMHSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C[C@H](C)O1 ZINC000659112039 1072999847 /nfs/dbraw/zinc/99/98/47/1072999847.db2.gz JBAUJGNNRBLISM-QXSJWSMHSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)C[C@H](C)O1 ZINC000659112040 1072999370 /nfs/dbraw/zinc/99/93/70/1072999370.db2.gz JBAUJGNNRBLISM-XUWVNRHRSA-N 1 2 380.489 -0.176 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)C[C@H](C)O1 ZINC000659112040 1072999360 /nfs/dbraw/zinc/99/93/60/1072999360.db2.gz JBAUJGNNRBLISM-XUWVNRHRSA-N 1 2 380.489 -0.176 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C[C@@H]1[NH+]1CCOCC1 ZINC000659112078 1073001123 /nfs/dbraw/zinc/00/11/23/1073001123.db2.gz KYSZBXHLYQWKMP-NCOADZHNSA-N 1 2 392.500 -0.175 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C[C@H]1[NH+]1CCOCC1 ZINC000659112080 1073001636 /nfs/dbraw/zinc/00/16/36/1073001636.db2.gz KYSZBXHLYQWKMP-QBPKDAKJSA-N 1 2 392.500 -0.175 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C[C@@H]1[NH+]1CCOCC1 ZINC000659112219 1073000637 /nfs/dbraw/zinc/00/06/37/1073000637.db2.gz KYSZBXHLYQWKMP-VQHPVUNQSA-N 1 2 392.500 -0.175 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C[C@H]1[NH+]1CCOCC1 ZINC000659112221 1073000787 /nfs/dbraw/zinc/00/07/87/1073000787.db2.gz KYSZBXHLYQWKMP-WCXIOVBPSA-N 1 2 392.500 -0.175 20 0 GBADLO O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000659116543 1073002695 /nfs/dbraw/zinc/00/26/95/1073002695.db2.gz AURISBNXWSFVGC-ARFHVFGLSA-N 1 2 378.473 -0.421 20 0 GBADLO O=C(C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000659116544 1073002557 /nfs/dbraw/zinc/00/25/57/1073002557.db2.gz AURISBNXWSFVGC-HRCADAONSA-N 1 2 378.473 -0.421 20 0 GBADLO O=C(C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000659116545 1073001869 /nfs/dbraw/zinc/00/18/69/1073001869.db2.gz AURISBNXWSFVGC-JYJNAYRXSA-N 1 2 378.473 -0.421 20 0 GBADLO O=C(C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000659116546 1073002012 /nfs/dbraw/zinc/00/20/12/1073002012.db2.gz AURISBNXWSFVGC-XHSDSOJGSA-N 1 2 378.473 -0.421 20 0 GBADLO Cn1cc(N2CCN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CC2=O)cn1 ZINC000659257608 1073014166 /nfs/dbraw/zinc/01/41/66/1073014166.db2.gz ZPXXNANHZNFGSF-AWEZNQCLSA-N 1 2 385.428 -0.345 20 0 GBADLO Cn1cc(N2CCN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CC2=O)cn1 ZINC000659257610 1073014555 /nfs/dbraw/zinc/01/45/55/1073014555.db2.gz ZPXXNANHZNFGSF-CQSZACIVSA-N 1 2 385.428 -0.345 20 0 GBADLO O=C(CN1CCN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1)NC1CC1 ZINC000659261935 1073014468 /nfs/dbraw/zinc/01/44/68/1073014468.db2.gz DDNPRNDYKDYTQA-INIZCTEOSA-N 1 2 388.472 -0.531 20 0 GBADLO O=C(CN1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1)NC1CC1 ZINC000659261936 1073014202 /nfs/dbraw/zinc/01/42/02/1073014202.db2.gz DDNPRNDYKDYTQA-MRXNPFEDSA-N 1 2 388.472 -0.531 20 0 GBADLO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000659262219 1073013951 /nfs/dbraw/zinc/01/39/51/1073013951.db2.gz MQVIIYPHIINWIW-HNNXBMFYSA-N 1 2 376.461 -0.673 20 0 GBADLO CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000659262221 1073014009 /nfs/dbraw/zinc/01/40/09/1073014009.db2.gz MQVIIYPHIINWIW-OAHLLOKOSA-N 1 2 376.461 -0.673 20 0 GBADLO O=C(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000659262304 1073014142 /nfs/dbraw/zinc/01/41/42/1073014142.db2.gz PTZKWGCPTQXXII-CVEARBPZSA-N 1 2 389.456 -0.104 20 0 GBADLO O=C(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000659262306 1073014659 /nfs/dbraw/zinc/01/46/59/1073014659.db2.gz PTZKWGCPTQXXII-HOTGVXAUSA-N 1 2 389.456 -0.104 20 0 GBADLO O=C(C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000659262307 1073015096 /nfs/dbraw/zinc/01/50/96/1073015096.db2.gz PTZKWGCPTQXXII-HZPDHXFCSA-N 1 2 389.456 -0.104 20 0 GBADLO O=C(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000659262309 1073015652 /nfs/dbraw/zinc/01/56/52/1073015652.db2.gz PTZKWGCPTQXXII-JKSUJKDBSA-N 1 2 389.456 -0.104 20 0 GBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000659262584 1073014062 /nfs/dbraw/zinc/01/40/62/1073014062.db2.gz UDPSPYJIDNLSNT-INIZCTEOSA-N 1 2 390.488 -0.285 20 0 GBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000659262585 1073014105 /nfs/dbraw/zinc/01/41/05/1073014105.db2.gz UDPSPYJIDNLSNT-MRXNPFEDSA-N 1 2 390.488 -0.285 20 0 GBADLO O=C(C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)N1CCN(C2CC2)C(=O)C1 ZINC000659289336 1073017795 /nfs/dbraw/zinc/01/77/95/1073017795.db2.gz CQHOYZKKWVCSQP-INIZCTEOSA-N 1 2 378.473 -0.467 20 0 GBADLO O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)N1CCN(C2CC2)C(=O)C1 ZINC000659289338 1073017317 /nfs/dbraw/zinc/01/73/17/1073017317.db2.gz CQHOYZKKWVCSQP-MRXNPFEDSA-N 1 2 378.473 -0.467 20 0 GBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000659289531 1073016937 /nfs/dbraw/zinc/01/69/37/1073016937.db2.gz LQZAPLOKKYKRSC-BEFAXECRSA-N 1 2 380.489 -0.316 20 0 GBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000659289532 1073017437 /nfs/dbraw/zinc/01/74/37/1073017437.db2.gz LQZAPLOKKYKRSC-DNVCBOLYSA-N 1 2 380.489 -0.316 20 0 GBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000659289534 1073017585 /nfs/dbraw/zinc/01/75/85/1073017585.db2.gz LQZAPLOKKYKRSC-HNAYVOBHSA-N 1 2 380.489 -0.316 20 0 GBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000659289535 1073017247 /nfs/dbraw/zinc/01/72/47/1073017247.db2.gz LQZAPLOKKYKRSC-KXBFYZLASA-N 1 2 380.489 -0.316 20 0 GBADLO O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)N1CCO[C@@]2(CCOC2)C1 ZINC000659289746 1073017627 /nfs/dbraw/zinc/01/76/27/1073017627.db2.gz OIUJHPSBYDDOFV-APWZRJJASA-N 1 2 381.473 -0.282 20 0 GBADLO O=C(C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)N1CCO[C@@]2(CCOC2)C1 ZINC000659289747 1073017671 /nfs/dbraw/zinc/01/76/71/1073017671.db2.gz OIUJHPSBYDDOFV-LPHOPBHVSA-N 1 2 381.473 -0.282 20 0 GBADLO O=C(C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)N1CCO[C@]2(CCOC2)C1 ZINC000659289748 1073017373 /nfs/dbraw/zinc/01/73/73/1073017373.db2.gz OIUJHPSBYDDOFV-QFBILLFUSA-N 1 2 381.473 -0.282 20 0 GBADLO O=C(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)N1CCO[C@]2(CCOC2)C1 ZINC000659289749 1073017336 /nfs/dbraw/zinc/01/73/36/1073017336.db2.gz OIUJHPSBYDDOFV-VQIMIIECSA-N 1 2 381.473 -0.282 20 0 GBADLO CC(C)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000659289801 1073016981 /nfs/dbraw/zinc/01/69/81/1073016981.db2.gz WMOCYIRCHKMION-INIZCTEOSA-N 1 2 380.489 -0.221 20 0 GBADLO CC(C)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000659289802 1073017646 /nfs/dbraw/zinc/01/76/46/1073017646.db2.gz WMOCYIRCHKMION-MRXNPFEDSA-N 1 2 380.489 -0.221 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659336006 530150077 /nfs/dbraw/zinc/15/00/77/530150077.db2.gz OMKJHNPGLBMZOV-UHFFFAOYSA-N 1 2 384.234 -0.878 20 0 GBADLO Cn1cc([C@@H]2[C@@H](CNC(=O)CN3CC[NH2+]CC3=O)CC(=O)N2C(C)(C)C)cn1 ZINC000659343177 1073042781 /nfs/dbraw/zinc/04/27/81/1073042781.db2.gz MTCJOOHNEZZTQE-ACJLOTCBSA-N 1 2 390.488 -0.344 20 0 GBADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](OCC)[C@@H](C)C2)CC1 ZINC000659488486 1073052563 /nfs/dbraw/zinc/05/25/63/1073052563.db2.gz QFGWRILIIAWXES-BBWFWOEESA-N 1 2 385.505 -0.199 20 0 GBADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](OCC)[C@H](C)C2)CC1 ZINC000659488487 1073052382 /nfs/dbraw/zinc/05/23/82/1073052382.db2.gz QFGWRILIIAWXES-BRWVUGGUSA-N 1 2 385.505 -0.199 20 0 GBADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](OCC)[C@@H](C)C2)CC1 ZINC000659488488 1073052700 /nfs/dbraw/zinc/05/27/00/1073052700.db2.gz QFGWRILIIAWXES-GVDBMIGSSA-N 1 2 385.505 -0.199 20 0 GBADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](OCC)[C@H](C)C2)CC1 ZINC000659488489 1073052729 /nfs/dbraw/zinc/05/27/29/1073052729.db2.gz QFGWRILIIAWXES-ZACQAIPSSA-N 1 2 385.505 -0.199 20 0 GBADLO CCOC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](NC(=O)CC)C2)CC1 ZINC000659488852 1073052840 /nfs/dbraw/zinc/05/28/40/1073052840.db2.gz XJGDJYLHWPZFPM-CVEARBPZSA-N 1 2 398.504 -0.955 20 0 GBADLO CCOC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](NC(=O)CC)C2)CC1 ZINC000659488853 1073052885 /nfs/dbraw/zinc/05/28/85/1073052885.db2.gz XJGDJYLHWPZFPM-HOTGVXAUSA-N 1 2 398.504 -0.955 20 0 GBADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](NC(=O)CC)C2)CC1 ZINC000659488854 1073052745 /nfs/dbraw/zinc/05/27/45/1073052745.db2.gz XJGDJYLHWPZFPM-HZPDHXFCSA-N 1 2 398.504 -0.955 20 0 GBADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](NC(=O)CC)C2)CC1 ZINC000659488855 1073053191 /nfs/dbraw/zinc/05/31/91/1073053191.db2.gz XJGDJYLHWPZFPM-JKSUJKDBSA-N 1 2 398.504 -0.955 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000659676781 1073073947 /nfs/dbraw/zinc/07/39/47/1073073947.db2.gz ZOTNRDSHVOXFOS-CABCVRRESA-N 1 2 381.429 -0.669 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000659676782 1073073741 /nfs/dbraw/zinc/07/37/41/1073073741.db2.gz ZOTNRDSHVOXFOS-GJZGRUSLSA-N 1 2 381.429 -0.669 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000659676783 1073073490 /nfs/dbraw/zinc/07/34/90/1073073490.db2.gz ZOTNRDSHVOXFOS-HUUCEWRRSA-N 1 2 381.429 -0.669 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000659676784 1073074011 /nfs/dbraw/zinc/07/40/11/1073074011.db2.gz ZOTNRDSHVOXFOS-LSDHHAIUSA-N 1 2 381.429 -0.669 20 0 GBADLO Nc1cccc(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC000659680821 1073073171 /nfs/dbraw/zinc/07/31/71/1073073171.db2.gz AQVMOQVGRGKNQI-UHFFFAOYSA-N 1 2 376.457 -0.117 20 0 GBADLO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000659722968 1073082454 /nfs/dbraw/zinc/08/24/54/1073082454.db2.gz OFLWPTFTWMLFSF-HNNXBMFYSA-N 1 2 383.443 -0.371 20 0 GBADLO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000659722968 1073082447 /nfs/dbraw/zinc/08/24/47/1073082447.db2.gz OFLWPTFTWMLFSF-HNNXBMFYSA-N 1 2 383.443 -0.371 20 0 GBADLO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000659722972 1073083328 /nfs/dbraw/zinc/08/33/28/1073083328.db2.gz OFLWPTFTWMLFSF-OAHLLOKOSA-N 1 2 383.443 -0.371 20 0 GBADLO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000659722972 1073083322 /nfs/dbraw/zinc/08/33/22/1073083322.db2.gz OFLWPTFTWMLFSF-OAHLLOKOSA-N 1 2 383.443 -0.371 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N(CCO)CCc1ccccc1 ZINC000659736639 1073092735 /nfs/dbraw/zinc/09/27/35/1073092735.db2.gz IWVBKMYYJOCBJN-GOSISDBHSA-N 1 2 393.484 -0.799 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N(CCO)CCc1ccccc1 ZINC000659736643 1073093093 /nfs/dbraw/zinc/09/30/93/1073093093.db2.gz IWVBKMYYJOCBJN-SFHVURJKSA-N 1 2 393.484 -0.799 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC[C@H]1CN1CCOCC1 ZINC000659816682 1073113728 /nfs/dbraw/zinc/11/37/28/1073113728.db2.gz XTLFRYAMCBOVDX-ROUUACIJSA-N 1 2 394.516 -0.367 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC[C@H]1CN1CCOCC1 ZINC000659816683 1073113799 /nfs/dbraw/zinc/11/37/99/1073113799.db2.gz XTLFRYAMCBOVDX-ZWKOTPCHSA-N 1 2 394.516 -0.367 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000659823378 1073116243 /nfs/dbraw/zinc/11/62/43/1073116243.db2.gz HQLKMCHJGZKICV-UHFFFAOYSA-N 1 2 399.473 -0.118 20 0 GBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000659823378 1073116240 /nfs/dbraw/zinc/11/62/40/1073116240.db2.gz HQLKMCHJGZKICV-UHFFFAOYSA-N 1 2 399.473 -0.118 20 0 GBADLO COCCOCCOCCC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000659826836 1073116334 /nfs/dbraw/zinc/11/63/34/1073116334.db2.gz QKKCGCHCRJVUQA-UHFFFAOYSA-N 1 2 395.522 -0.749 20 0 GBADLO CC(C)CNC(=O)CCC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000659827399 530396109 /nfs/dbraw/zinc/39/61/09/530396109.db2.gz WLTOLCODGDYUNZ-UHFFFAOYSA-N 1 2 376.523 -0.267 20 0 GBADLO O=C1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)CN1 ZINC000659832694 1073127287 /nfs/dbraw/zinc/12/72/87/1073127287.db2.gz AZEPDSFKPRUZEG-LLVKDONJSA-N 1 2 379.442 -0.289 20 0 GBADLO O=C1C[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)CN1 ZINC000659832699 1073127161 /nfs/dbraw/zinc/12/71/61/1073127161.db2.gz AZEPDSFKPRUZEG-NSHDSACASA-N 1 2 379.442 -0.289 20 0 GBADLO COc1cc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)sn1 ZINC000659837329 530398588 /nfs/dbraw/zinc/39/85/88/530398588.db2.gz FQLGXKSCOKQBIB-UHFFFAOYSA-N 1 2 375.520 -0.239 20 0 GBADLO CO[C@@H](C[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H]1CCOC1 ZINC000659838737 530151446 /nfs/dbraw/zinc/15/14/46/530151446.db2.gz OUFMAXACKZLKCD-CVEARBPZSA-N 1 2 376.523 -0.852 20 0 GBADLO CO[C@@H](C[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H]1CCOC1 ZINC000659838739 530151148 /nfs/dbraw/zinc/15/11/48/530151148.db2.gz OUFMAXACKZLKCD-HOTGVXAUSA-N 1 2 376.523 -0.852 20 0 GBADLO CO[C@H](C[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H]1CCOC1 ZINC000659838741 530151365 /nfs/dbraw/zinc/15/13/65/530151365.db2.gz OUFMAXACKZLKCD-HZPDHXFCSA-N 1 2 376.523 -0.852 20 0 GBADLO CO[C@H](C[NH+]1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H]1CCOC1 ZINC000659838743 530151168 /nfs/dbraw/zinc/15/11/68/530151168.db2.gz OUFMAXACKZLKCD-JKSUJKDBSA-N 1 2 376.523 -0.852 20 0 GBADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000659873657 1073225009 /nfs/dbraw/zinc/22/50/09/1073225009.db2.gz SHSJDOIOBCIXCS-UHFFFAOYSA-N 1 2 395.485 -0.389 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC1 ZINC000659890494 530151332 /nfs/dbraw/zinc/15/13/32/530151332.db2.gz UOMRIEJEGXZPFX-INIZCTEOSA-N 1 2 377.507 -0.300 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)CC1 ZINC000659890495 530151177 /nfs/dbraw/zinc/15/11/77/530151177.db2.gz UOMRIEJEGXZPFX-MRXNPFEDSA-N 1 2 377.507 -0.300 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)C[C@H](C)O1 ZINC000659897981 1073245184 /nfs/dbraw/zinc/24/51/84/1073245184.db2.gz IPRLGJXGNADCDF-CYJAXWMASA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)C[C@H](C)O1 ZINC000659897981 1073245178 /nfs/dbraw/zinc/24/51/78/1073245178.db2.gz IPRLGJXGNADCDF-CYJAXWMASA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)C[C@H](C)O1 ZINC000659897982 1073245097 /nfs/dbraw/zinc/24/50/97/1073245097.db2.gz IPRLGJXGNADCDF-OLMMMNRUSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)C[C@H](C)O1 ZINC000659897982 1073245092 /nfs/dbraw/zinc/24/50/92/1073245092.db2.gz IPRLGJXGNADCDF-OLMMMNRUSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@H](C)O1 ZINC000659897983 1073245317 /nfs/dbraw/zinc/24/53/17/1073245317.db2.gz IPRLGJXGNADCDF-RCJHGTSTSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@H](C)O1 ZINC000659897983 1073245312 /nfs/dbraw/zinc/24/53/12/1073245312.db2.gz IPRLGJXGNADCDF-RCJHGTSTSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)C[C@H](C)O1 ZINC000659897984 1073244886 /nfs/dbraw/zinc/24/48/86/1073244886.db2.gz IPRLGJXGNADCDF-YYAJDYIMSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)C[C@H](C)O1 ZINC000659897984 1073244877 /nfs/dbraw/zinc/24/48/77/1073244877.db2.gz IPRLGJXGNADCDF-YYAJDYIMSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCOC3(CCOCC3)C2)C[C@H](C)O1 ZINC000659897997 1073245368 /nfs/dbraw/zinc/24/53/68/1073245368.db2.gz PJNMMFMHPGEZKQ-IYBDPMFKSA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCOC3(CCOCC3)C2)C[C@H](C)O1 ZINC000659897997 1073245365 /nfs/dbraw/zinc/24/53/65/1073245365.db2.gz PJNMMFMHPGEZKQ-IYBDPMFKSA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C[C@H](C)O1 ZINC000659898006 1073245376 /nfs/dbraw/zinc/24/53/76/1073245376.db2.gz UVOZWBIYOFYBEL-TWMKSMIVSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C[C@H](C)O1 ZINC000659898006 1073245373 /nfs/dbraw/zinc/24/53/73/1073245373.db2.gz UVOZWBIYOFYBEL-TWMKSMIVSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)C[C@H](C)O1 ZINC000659898007 1073245299 /nfs/dbraw/zinc/24/52/99/1073245299.db2.gz UVOZWBIYOFYBEL-VVLHAWIVSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)C[C@H](C)O1 ZINC000659898007 1073245294 /nfs/dbraw/zinc/24/52/94/1073245294.db2.gz UVOZWBIYOFYBEL-VVLHAWIVSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C[C@H](C)O1 ZINC000659898008 1073245217 /nfs/dbraw/zinc/24/52/17/1073245217.db2.gz UVOZWBIYOFYBEL-YVSFHVDLSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C[C@H](C)O1 ZINC000659898008 1073245212 /nfs/dbraw/zinc/24/52/12/1073245212.db2.gz UVOZWBIYOFYBEL-YVSFHVDLSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)C[C@H](C)O1 ZINC000659898009 1073245395 /nfs/dbraw/zinc/24/53/95/1073245395.db2.gz UVOZWBIYOFYBEL-YYIAUSFCSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)C[C@H](C)O1 ZINC000659898009 1073245393 /nfs/dbraw/zinc/24/53/93/1073245393.db2.gz UVOZWBIYOFYBEL-YYIAUSFCSA-N 1 2 383.489 -0.040 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)C[C@H](C)O1 ZINC000659898020 1073245008 /nfs/dbraw/zinc/24/50/08/1073245008.db2.gz XTFGBRFMUHKGNC-FCEWJHQRSA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)C[C@H](C)O1 ZINC000659898020 1073245004 /nfs/dbraw/zinc/24/50/04/1073245004.db2.gz XTFGBRFMUHKGNC-FCEWJHQRSA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)C[C@H](C)O1 ZINC000659898021 1073244910 /nfs/dbraw/zinc/24/49/10/1073244910.db2.gz XTFGBRFMUHKGNC-JTDSTZFVSA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)C[C@H](C)O1 ZINC000659898021 1073244903 /nfs/dbraw/zinc/24/49/03/1073244903.db2.gz XTFGBRFMUHKGNC-JTDSTZFVSA-N 1 2 383.489 -0.038 20 0 GBADLO CC(C)O[C@@]1(CS(=O)(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCOC1 ZINC000659924609 530435425 /nfs/dbraw/zinc/43/54/25/530435425.db2.gz BJIAVCCGRZBBPP-CVEARBPZSA-N 1 2 380.507 -0.475 20 0 GBADLO CC(C)O[C@@]1(CS(=O)(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCOC1 ZINC000659924610 530435618 /nfs/dbraw/zinc/43/56/18/530435618.db2.gz BJIAVCCGRZBBPP-HOTGVXAUSA-N 1 2 380.507 -0.475 20 0 GBADLO CC(C)O[C@]1(CS(=O)(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCOC1 ZINC000659924611 530435538 /nfs/dbraw/zinc/43/55/38/530435538.db2.gz BJIAVCCGRZBBPP-HZPDHXFCSA-N 1 2 380.507 -0.475 20 0 GBADLO CC(C)O[C@]1(CS(=O)(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCOC1 ZINC000659924612 530435611 /nfs/dbraw/zinc/43/56/11/530435611.db2.gz BJIAVCCGRZBBPP-JKSUJKDBSA-N 1 2 380.507 -0.475 20 0 GBADLO CC(C)O[C@@]1(CS(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCOC1 ZINC000659928469 1073254659 /nfs/dbraw/zinc/25/46/59/1073254659.db2.gz MUQXYHDUBQXSEP-KRWDZBQOSA-N 1 2 391.534 -0.004 20 0 GBADLO O=C(CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)Nc1cnccn1 ZINC000659950275 1073258966 /nfs/dbraw/zinc/25/89/66/1073258966.db2.gz DNCAPHCQNUTRSR-UHFFFAOYSA-N 1 2 384.444 -0.136 20 0 GBADLO CN1CC(=O)N(CC[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1=O ZINC000659951885 1073258906 /nfs/dbraw/zinc/25/89/06/1073258906.db2.gz OEBFLIBRZAGNIO-UHFFFAOYSA-N 1 2 389.460 -0.671 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000659952992 1073258840 /nfs/dbraw/zinc/25/88/40/1073258840.db2.gz XSOFBBZYXVAMEA-LSDHHAIUSA-N 1 2 397.501 -0.753 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C[C@H]1[NH+]1CCOCC1 ZINC000659964447 1073261490 /nfs/dbraw/zinc/26/14/90/1073261490.db2.gz QZXZJFVUAHGVHG-BRWVUGGUSA-N 1 2 380.489 -0.901 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000659964448 1073262581 /nfs/dbraw/zinc/26/25/81/1073262581.db2.gz QZXZJFVUAHGVHG-IKGGRYGDSA-N 1 2 380.489 -0.901 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C[C@H]1[NH+]1CCOCC1 ZINC000659964449 1073262359 /nfs/dbraw/zinc/26/23/59/1073262359.db2.gz QZXZJFVUAHGVHG-IXDOHACOSA-N 1 2 380.489 -0.901 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000659964450 1073262383 /nfs/dbraw/zinc/26/23/83/1073262383.db2.gz QZXZJFVUAHGVHG-ZACQAIPSSA-N 1 2 380.489 -0.901 20 0 GBADLO CO[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@H]1CCOC1 ZINC000660031435 1073278241 /nfs/dbraw/zinc/27/82/41/1073278241.db2.gz VUFBYRLJSAMRNT-GXTWGEPZSA-N 1 2 387.458 -0.264 20 0 GBADLO CO[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@H]1CCOC1 ZINC000660031436 1073278317 /nfs/dbraw/zinc/27/83/17/1073278317.db2.gz VUFBYRLJSAMRNT-JSGCOSHPSA-N 1 2 387.458 -0.264 20 0 GBADLO CO[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@@H]1CCOC1 ZINC000660031437 1073278172 /nfs/dbraw/zinc/27/81/72/1073278172.db2.gz VUFBYRLJSAMRNT-OCCSQVGLSA-N 1 2 387.458 -0.264 20 0 GBADLO CO[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@@H]1CCOC1 ZINC000660031438 1073278458 /nfs/dbraw/zinc/27/84/58/1073278458.db2.gz VUFBYRLJSAMRNT-TZMCWYRMSA-N 1 2 387.458 -0.264 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000660036653 530151942 /nfs/dbraw/zinc/15/19/42/530151942.db2.gz RZTFYFHGPKRTQD-ZIAGYGMSSA-N 1 2 395.547 -0.512 20 0 GBADLO CN1CC(=O)N(CC[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)C1=O ZINC000660070959 1073286662 /nfs/dbraw/zinc/28/66/62/1073286662.db2.gz MTXBZFRCFWAFEE-UHFFFAOYSA-N 1 2 384.444 -0.326 20 0 GBADLO CNS(=O)(=O)c1ccc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000660086454 530152630 /nfs/dbraw/zinc/15/26/30/530152630.db2.gz IZDAISRJYSZEFF-UHFFFAOYSA-N 1 2 376.504 -0.999 20 0 GBADLO CNS(=O)(=O)c1ccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)cc1 ZINC000660086454 530152626 /nfs/dbraw/zinc/15/26/26/530152626.db2.gz IZDAISRJYSZEFF-UHFFFAOYSA-N 1 2 376.504 -0.999 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c(=O)n(C)c1=O ZINC000660132136 1073293548 /nfs/dbraw/zinc/29/35/48/1073293548.db2.gz PVOLAPITEAEPHD-AWEZNQCLSA-N 1 2 378.454 -0.363 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(=O)n(C)c1=O ZINC000660132136 1073293544 /nfs/dbraw/zinc/29/35/44/1073293544.db2.gz PVOLAPITEAEPHD-AWEZNQCLSA-N 1 2 378.454 -0.363 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c(=O)n(C)c1=O ZINC000660132139 1073293107 /nfs/dbraw/zinc/29/31/07/1073293107.db2.gz PVOLAPITEAEPHD-CQSZACIVSA-N 1 2 378.454 -0.363 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(=O)n(C)c1=O ZINC000660132139 1073293102 /nfs/dbraw/zinc/29/31/02/1073293102.db2.gz PVOLAPITEAEPHD-CQSZACIVSA-N 1 2 378.454 -0.363 20 0 GBADLO NS(=O)(=O)c1cc(CNS(=O)(=O)CCC[NH+]2CCOCC2)ccc1F ZINC000660164646 530152643 /nfs/dbraw/zinc/15/26/43/530152643.db2.gz QHRIJADYLJLUPF-UHFFFAOYSA-N 1 2 395.478 -0.385 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000660192880 1073305051 /nfs/dbraw/zinc/30/50/51/1073305051.db2.gz XLCQYFXVZDWGOX-DLBZAZTESA-N 1 2 383.489 -0.038 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000660192881 1073304866 /nfs/dbraw/zinc/30/48/66/1073304866.db2.gz XLCQYFXVZDWGOX-IAGOWNOFSA-N 1 2 383.489 -0.038 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000660192882 1073304815 /nfs/dbraw/zinc/30/48/15/1073304815.db2.gz XLCQYFXVZDWGOX-IRXDYDNUSA-N 1 2 383.489 -0.038 20 0 GBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000660192883 1073304676 /nfs/dbraw/zinc/30/46/76/1073304676.db2.gz XLCQYFXVZDWGOX-SJORKVTESA-N 1 2 383.489 -0.038 20 0 GBADLO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1nnc2n1CCCCC2 ZINC000660259357 1073314471 /nfs/dbraw/zinc/31/44/71/1073314471.db2.gz IZKFVUSSJYHUOW-OAHLLOKOSA-N 1 2 391.520 -0.113 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCNS(C)(=O)=O)C1 ZINC000660302940 1073317470 /nfs/dbraw/zinc/31/74/70/1073317470.db2.gz LYCIYGCJVPPSSV-INIZCTEOSA-N 1 2 383.518 -0.349 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCNS(C)(=O)=O)C1 ZINC000660302940 1073317460 /nfs/dbraw/zinc/31/74/60/1073317460.db2.gz LYCIYGCJVPPSSV-INIZCTEOSA-N 1 2 383.518 -0.349 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCNS(C)(=O)=O)C1 ZINC000660302941 1073317557 /nfs/dbraw/zinc/31/75/57/1073317557.db2.gz LYCIYGCJVPPSSV-MRXNPFEDSA-N 1 2 383.518 -0.349 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCNS(C)(=O)=O)C1 ZINC000660302941 1073317551 /nfs/dbraw/zinc/31/75/51/1073317551.db2.gz LYCIYGCJVPPSSV-MRXNPFEDSA-N 1 2 383.518 -0.349 20 0 GBADLO CN1CC(=O)N(CC[NH+]2CCN(c3ccccc3S(N)(=O)=O)CC2)C1=O ZINC000660380861 1073334916 /nfs/dbraw/zinc/33/49/16/1073334916.db2.gz OYATVEYCBHBUTG-UHFFFAOYSA-N 1 2 381.458 -0.650 20 0 GBADLO O=C(NCCCn1nc2n(c1=O)CCCC2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660433000 1073347811 /nfs/dbraw/zinc/34/78/11/1073347811.db2.gz YDGZNLXCOGFCFB-HNNXBMFYSA-N 1 2 378.477 -0.113 20 0 GBADLO O=C(NCCCn1nc2n(c1=O)CCCC2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660433001 1073347651 /nfs/dbraw/zinc/34/76/51/1073347651.db2.gz YDGZNLXCOGFCFB-OAHLLOKOSA-N 1 2 378.477 -0.113 20 0 GBADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000660470159 1073354670 /nfs/dbraw/zinc/35/46/70/1073354670.db2.gz VGJCVWWWMXYEQK-CYBMUJFWSA-N 1 2 379.461 -0.080 20 0 GBADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000660470159 1073354665 /nfs/dbraw/zinc/35/46/65/1073354665.db2.gz VGJCVWWWMXYEQK-CYBMUJFWSA-N 1 2 379.461 -0.080 20 0 GBADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000660470163 1073354987 /nfs/dbraw/zinc/35/49/87/1073354987.db2.gz VGJCVWWWMXYEQK-ZDUSSCGKSA-N 1 2 379.461 -0.080 20 0 GBADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000660470163 1073354976 /nfs/dbraw/zinc/35/49/76/1073354976.db2.gz VGJCVWWWMXYEQK-ZDUSSCGKSA-N 1 2 379.461 -0.080 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000660481921 1073356241 /nfs/dbraw/zinc/35/62/41/1073356241.db2.gz NVURJTPBOUGAQR-AGIUHOORSA-N 1 2 397.394 -0.684 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000660481922 1073356213 /nfs/dbraw/zinc/35/62/13/1073356213.db2.gz NVURJTPBOUGAQR-FRRDWIJNSA-N 1 2 397.394 -0.684 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000660481923 1073356566 /nfs/dbraw/zinc/35/65/66/1073356566.db2.gz NVURJTPBOUGAQR-JHJVBQTASA-N 1 2 397.394 -0.684 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000660481924 1073356509 /nfs/dbraw/zinc/35/65/09/1073356509.db2.gz NVURJTPBOUGAQR-UPJWGTAASA-N 1 2 397.394 -0.684 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)CC2)cc[nH+]1 ZINC000660517044 1073361957 /nfs/dbraw/zinc/36/19/57/1073361957.db2.gz QECPLEORZKXKDO-CVEARBPZSA-N 1 2 389.456 -0.160 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)CC2)cc[nH+]1 ZINC000660517045 1073361886 /nfs/dbraw/zinc/36/18/86/1073361886.db2.gz QECPLEORZKXKDO-HOTGVXAUSA-N 1 2 389.456 -0.160 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)CC2)cc[nH+]1 ZINC000660517046 1073362060 /nfs/dbraw/zinc/36/20/60/1073362060.db2.gz QECPLEORZKXKDO-HZPDHXFCSA-N 1 2 389.456 -0.160 20 0 GBADLO Cc1nc(N2CCN(C(=O)C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)CC2)cc[nH+]1 ZINC000660517047 1073361808 /nfs/dbraw/zinc/36/18/08/1073361808.db2.gz QECPLEORZKXKDO-JKSUJKDBSA-N 1 2 389.456 -0.160 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(c3nc(N)n[nH]3)CC2)c(=O)[nH]c1=O ZINC000660568255 1073368571 /nfs/dbraw/zinc/36/85/71/1073368571.db2.gz QZFWZFQDIJASCY-UHFFFAOYSA-N 1 2 390.448 -0.050 20 0 GBADLO CNS(=O)(=O)c1ccc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000660585262 530198899 /nfs/dbraw/zinc/19/88/99/530198899.db2.gz TXXBJFZNORKKIT-UHFFFAOYSA-N 1 2 390.531 -0.091 20 0 GBADLO CNS(=O)(=O)c1ccc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000660585262 530198898 /nfs/dbraw/zinc/19/88/98/530198898.db2.gz TXXBJFZNORKKIT-UHFFFAOYSA-N 1 2 390.531 -0.091 20 0 GBADLO CCn1c(N)c(C(=O)C[NH2+][C@@H](c2cnn(C)c2)C2(CO)CCC2)c(=O)[nH]c1=O ZINC000660602778 1073371559 /nfs/dbraw/zinc/37/15/59/1073371559.db2.gz AKHQWRPTSKXMAH-AWEZNQCLSA-N 1 2 390.444 -0.039 20 0 GBADLO CCn1c(N)c(C(=O)C[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)c(=O)[nH]c1=O ZINC000660602779 1073371925 /nfs/dbraw/zinc/37/19/25/1073371925.db2.gz AKHQWRPTSKXMAH-CQSZACIVSA-N 1 2 390.444 -0.039 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660604151 530154000 /nfs/dbraw/zinc/15/40/00/530154000.db2.gz BVRASECPPNNVSF-AWEZNQCLSA-N 1 2 392.547 -0.519 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660604153 530153783 /nfs/dbraw/zinc/15/37/83/530153783.db2.gz BVRASECPPNNVSF-CQSZACIVSA-N 1 2 392.547 -0.519 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660609243 1073371506 /nfs/dbraw/zinc/37/15/06/1073371506.db2.gz CDUWHYGCWPLRJX-INIZCTEOSA-N 1 2 381.477 -0.817 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660609244 1073371817 /nfs/dbraw/zinc/37/18/17/1073371817.db2.gz CDUWHYGCWPLRJX-MRXNPFEDSA-N 1 2 381.477 -0.817 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000660624980 530153934 /nfs/dbraw/zinc/15/39/34/530153934.db2.gz KYNABDNBALQAQG-UONOGXRCSA-N 1 2 378.472 -0.543 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000660624980 530153931 /nfs/dbraw/zinc/15/39/31/530153931.db2.gz KYNABDNBALQAQG-UONOGXRCSA-N 1 2 378.472 -0.543 20 0 GBADLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000660636906 530153672 /nfs/dbraw/zinc/15/36/72/530153672.db2.gz BVFACECBGLHKDY-SRVKXCTJSA-N 1 2 386.440 -0.151 20 0 GBADLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000660636906 530153669 /nfs/dbraw/zinc/15/36/69/530153669.db2.gz BVFACECBGLHKDY-SRVKXCTJSA-N 1 2 386.440 -0.151 20 0 GBADLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000660636908 530153858 /nfs/dbraw/zinc/15/38/58/530153858.db2.gz BVFACECBGLHKDY-WOPDTQHZSA-N 1 2 386.440 -0.151 20 0 GBADLO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000660636908 530153857 /nfs/dbraw/zinc/15/38/57/530153857.db2.gz BVFACECBGLHKDY-WOPDTQHZSA-N 1 2 386.440 -0.151 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCN2C(=O)CNC2=O)C1 ZINC000660656168 1073377798 /nfs/dbraw/zinc/37/77/98/1073377798.db2.gz SDZCZDKNYLTNGD-INIZCTEOSA-N 1 2 388.472 -0.346 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCN2C(=O)CNC2=O)C1 ZINC000660656168 1073377792 /nfs/dbraw/zinc/37/77/92/1073377792.db2.gz SDZCZDKNYLTNGD-INIZCTEOSA-N 1 2 388.472 -0.346 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCN2C(=O)CNC2=O)C1 ZINC000660656170 1073378130 /nfs/dbraw/zinc/37/81/30/1073378130.db2.gz SDZCZDKNYLTNGD-MRXNPFEDSA-N 1 2 388.472 -0.346 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCN2C(=O)CNC2=O)C1 ZINC000660656170 1073378124 /nfs/dbraw/zinc/37/81/24/1073378124.db2.gz SDZCZDKNYLTNGD-MRXNPFEDSA-N 1 2 388.472 -0.346 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660671983 530153838 /nfs/dbraw/zinc/15/38/38/530153838.db2.gz RZEMDKUOFJJSQZ-LSDHHAIUSA-N 1 2 391.515 -0.486 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660671983 530153837 /nfs/dbraw/zinc/15/38/37/530153837.db2.gz RZEMDKUOFJJSQZ-LSDHHAIUSA-N 1 2 391.515 -0.486 20 0 GBADLO COCCN(Cc1ccnn1C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660690949 1073383845 /nfs/dbraw/zinc/38/38/45/1073383845.db2.gz YWEOTGUBCUJBSW-KRWDZBQOSA-N 1 2 393.488 -0.282 20 0 GBADLO COCCN(Cc1ccnn1C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660690950 1073383575 /nfs/dbraw/zinc/38/35/75/1073383575.db2.gz YWEOTGUBCUJBSW-QGZVFWFLSA-N 1 2 393.488 -0.282 20 0 GBADLO Cn1c2ncn(CC[NH+]3CCN(c4ncns4)CC3)c2c(=O)n(C)c1=O ZINC000660705209 1073384117 /nfs/dbraw/zinc/38/41/17/1073384117.db2.gz YYVCMHPHCQVUJF-UHFFFAOYSA-N 1 2 376.446 -0.893 20 0 GBADLO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(c3ncns3)CC1)c(=O)n2C ZINC000660707948 1073385100 /nfs/dbraw/zinc/38/51/00/1073385100.db2.gz TYRVKHJEWYVBSL-UHFFFAOYSA-N 1 2 390.473 -0.503 20 0 GBADLO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660727328 1073385610 /nfs/dbraw/zinc/38/56/10/1073385610.db2.gz YKLCQXMGGAKSSJ-CVEARBPZSA-N 1 2 380.489 -0.221 20 0 GBADLO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660727329 1073385746 /nfs/dbraw/zinc/38/57/46/1073385746.db2.gz YKLCQXMGGAKSSJ-HOTGVXAUSA-N 1 2 380.489 -0.221 20 0 GBADLO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660727330 1073385722 /nfs/dbraw/zinc/38/57/22/1073385722.db2.gz YKLCQXMGGAKSSJ-HZPDHXFCSA-N 1 2 380.489 -0.221 20 0 GBADLO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660727331 1073385734 /nfs/dbraw/zinc/38/57/34/1073385734.db2.gz YKLCQXMGGAKSSJ-JKSUJKDBSA-N 1 2 380.489 -0.221 20 0 GBADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)N2CCN(CC(=O)N(C)C)CC2)n1 ZINC000660744998 1073386248 /nfs/dbraw/zinc/38/62/48/1073386248.db2.gz ISDOLKAWBIBMCY-UHFFFAOYSA-N 1 2 378.477 -0.452 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000660753933 530153812 /nfs/dbraw/zinc/15/38/12/530153812.db2.gz LZNFYJYNFJOCFS-GXTWGEPZSA-N 1 2 396.462 -0.404 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000660753933 530153811 /nfs/dbraw/zinc/15/38/11/530153811.db2.gz LZNFYJYNFJOCFS-GXTWGEPZSA-N 1 2 396.462 -0.404 20 0 GBADLO O=C(C[N@@H+](C1CC1)C1(CO)CCC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000660789323 1073388537 /nfs/dbraw/zinc/38/85/37/1073388537.db2.gz ZHNZQOQVORLVMV-INIZCTEOSA-N 1 2 385.530 -0.303 20 0 GBADLO O=C(C[N@H+](C1CC1)C1(CO)CCC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000660789323 1073388531 /nfs/dbraw/zinc/38/85/31/1073388531.db2.gz ZHNZQOQVORLVMV-INIZCTEOSA-N 1 2 385.530 -0.303 20 0 GBADLO O=C(C[N@@H+](C1CC1)C1(CO)CCC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000660789325 1073388351 /nfs/dbraw/zinc/38/83/51/1073388351.db2.gz ZHNZQOQVORLVMV-MRXNPFEDSA-N 1 2 385.530 -0.303 20 0 GBADLO O=C(C[N@H+](C1CC1)C1(CO)CCC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000660789325 1073388345 /nfs/dbraw/zinc/38/83/45/1073388345.db2.gz ZHNZQOQVORLVMV-MRXNPFEDSA-N 1 2 385.530 -0.303 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000660791348 1073388484 /nfs/dbraw/zinc/38/84/84/1073388484.db2.gz KZKHWZHVDJMBAP-BMFZPTHFSA-N 1 2 393.488 -0.772 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000660791350 1073388707 /nfs/dbraw/zinc/38/87/07/1073388707.db2.gz KZKHWZHVDJMBAP-FVQBIDKESA-N 1 2 393.488 -0.772 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000660791351 1073388396 /nfs/dbraw/zinc/38/83/96/1073388396.db2.gz KZKHWZHVDJMBAP-KBMXLJTQSA-N 1 2 393.488 -0.772 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000660791353 1073388860 /nfs/dbraw/zinc/38/88/60/1073388860.db2.gz KZKHWZHVDJMBAP-VNQPRFMTSA-N 1 2 393.488 -0.772 20 0 GBADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000660798435 1073389397 /nfs/dbraw/zinc/38/93/97/1073389397.db2.gz XOFSGILYGSWYDV-DEYYWGMASA-N 1 2 379.461 -0.177 20 0 GBADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000660798437 1073389271 /nfs/dbraw/zinc/38/92/71/1073389271.db2.gz XOFSGILYGSWYDV-GLJUWKHASA-N 1 2 379.461 -0.177 20 0 GBADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000660798439 1073389660 /nfs/dbraw/zinc/38/96/60/1073389660.db2.gz XOFSGILYGSWYDV-IYOUNJFTSA-N 1 2 379.461 -0.177 20 0 GBADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000660798441 1073389303 /nfs/dbraw/zinc/38/93/03/1073389303.db2.gz XOFSGILYGSWYDV-LBTNJELSSA-N 1 2 379.461 -0.177 20 0 GBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660812019 1073390420 /nfs/dbraw/zinc/39/04/20/1073390420.db2.gz WRGZOVRODKTGSE-AWEZNQCLSA-N 1 2 387.462 -0.790 20 0 GBADLO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660812021 1073390309 /nfs/dbraw/zinc/39/03/09/1073390309.db2.gz WRGZOVRODKTGSE-CQSZACIVSA-N 1 2 387.462 -0.790 20 0 GBADLO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1n[nH]c(=O)o1 ZINC000660846422 1073390778 /nfs/dbraw/zinc/39/07/78/1073390778.db2.gz IXAZCTIGOCXDCP-UHFFFAOYSA-N 1 2 383.430 -0.397 20 0 GBADLO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1n[nH]c(=O)o1 ZINC000660846422 1073390773 /nfs/dbraw/zinc/39/07/73/1073390773.db2.gz IXAZCTIGOCXDCP-UHFFFAOYSA-N 1 2 383.430 -0.397 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC[C@@H](C)C[NH+]3CCOCC3)C[C@H]21 ZINC000660850758 530154415 /nfs/dbraw/zinc/15/44/15/530154415.db2.gz XPKBPGZIHSAZOI-BARDWOONSA-N 1 2 375.491 -0.592 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC[C@H](C)C[NH+]3CCOCC3)C[C@H]21 ZINC000660850759 530154171 /nfs/dbraw/zinc/15/41/71/530154171.db2.gz XPKBPGZIHSAZOI-XQLPTFJDSA-N 1 2 375.491 -0.592 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000660853148 1073390112 /nfs/dbraw/zinc/39/01/12/1073390112.db2.gz RAHWWANYTBDUBG-BFHYXJOUSA-N 1 2 390.506 -0.960 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000660853148 1073390106 /nfs/dbraw/zinc/39/01/06/1073390106.db2.gz RAHWWANYTBDUBG-BFHYXJOUSA-N 1 2 390.506 -0.960 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000660853149 1073390299 /nfs/dbraw/zinc/39/02/99/1073390299.db2.gz RAHWWANYTBDUBG-HZSPNIEDSA-N 1 2 390.506 -0.960 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000660853149 1073390295 /nfs/dbraw/zinc/39/02/95/1073390295.db2.gz RAHWWANYTBDUBG-HZSPNIEDSA-N 1 2 390.506 -0.960 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000660853150 1073390155 /nfs/dbraw/zinc/39/01/55/1073390155.db2.gz RAHWWANYTBDUBG-MELADBBJSA-N 1 2 390.506 -0.960 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000660853150 1073390148 /nfs/dbraw/zinc/39/01/48/1073390148.db2.gz RAHWWANYTBDUBG-MELADBBJSA-N 1 2 390.506 -0.960 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000660853151 1073390349 /nfs/dbraw/zinc/39/03/49/1073390349.db2.gz RAHWWANYTBDUBG-MGPQQGTHSA-N 1 2 390.506 -0.960 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000660853151 1073390345 /nfs/dbraw/zinc/39/03/45/1073390345.db2.gz RAHWWANYTBDUBG-MGPQQGTHSA-N 1 2 390.506 -0.960 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000660853844 1073390752 /nfs/dbraw/zinc/39/07/52/1073390752.db2.gz IYSGNIMKDNFENZ-GFCCVEGCSA-N 1 2 387.481 -0.092 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000660853845 1073390960 /nfs/dbraw/zinc/39/09/60/1073390960.db2.gz IYSGNIMKDNFENZ-LBPRGKRZSA-N 1 2 387.481 -0.092 20 0 GBADLO CC(C)(C)NC(=O)CNC(=O)C[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000660859682 1073391076 /nfs/dbraw/zinc/39/10/76/1073391076.db2.gz PUBPGLXWGRXXLO-UHFFFAOYSA-N 1 2 383.493 -0.477 20 0 GBADLO O=C(C[NH+]1CCC(NC(=O)N2CCOCC2)CC1)NCC(=O)N1CCCC1 ZINC000660861625 1073390889 /nfs/dbraw/zinc/39/08/89/1073390889.db2.gz RTKDPZBRJLGMID-UHFFFAOYSA-N 1 2 381.477 -0.769 20 0 GBADLO CCS(=O)(=O)C1(CNC(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000660863463 1073391629 /nfs/dbraw/zinc/39/16/29/1073391629.db2.gz HIPJZJBFKCOLSG-HNNXBMFYSA-N 1 2 388.534 -0.341 20 0 GBADLO CCS(=O)(=O)C1(CNC(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000660863465 1073392195 /nfs/dbraw/zinc/39/21/95/1073392195.db2.gz HIPJZJBFKCOLSG-OAHLLOKOSA-N 1 2 388.534 -0.341 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000660866543 1073391712 /nfs/dbraw/zinc/39/17/12/1073391712.db2.gz IGUNOIPJKBIBOK-UHFFFAOYSA-N 1 2 383.493 -0.523 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCC(=O)N2CCOCC2)C1 ZINC000660995355 1073402305 /nfs/dbraw/zinc/40/23/05/1073402305.db2.gz NQGSEKLQOOCMAL-GOSISDBHSA-N 1 2 389.500 -0.039 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCC(=O)N2CCOCC2)C1 ZINC000660995355 1073402299 /nfs/dbraw/zinc/40/22/99/1073402299.db2.gz NQGSEKLQOOCMAL-GOSISDBHSA-N 1 2 389.500 -0.039 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCC(=O)N2CCOCC2)C1 ZINC000660995356 1073402043 /nfs/dbraw/zinc/40/20/43/1073402043.db2.gz NQGSEKLQOOCMAL-SFHVURJKSA-N 1 2 389.500 -0.039 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCC(=O)N2CCOCC2)C1 ZINC000660995356 1073402041 /nfs/dbraw/zinc/40/20/41/1073402041.db2.gz NQGSEKLQOOCMAL-SFHVURJKSA-N 1 2 389.500 -0.039 20 0 GBADLO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661008463 1073402018 /nfs/dbraw/zinc/40/20/18/1073402018.db2.gz FONHJBVNUOTNSX-DLBZAZTESA-N 1 2 382.505 -0.511 20 0 GBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661008464 1073402085 /nfs/dbraw/zinc/40/20/85/1073402085.db2.gz FONHJBVNUOTNSX-IAGOWNOFSA-N 1 2 382.505 -0.511 20 0 GBADLO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661008465 1073401886 /nfs/dbraw/zinc/40/18/86/1073401886.db2.gz FONHJBVNUOTNSX-IRXDYDNUSA-N 1 2 382.505 -0.511 20 0 GBADLO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661008466 1073402100 /nfs/dbraw/zinc/40/21/00/1073402100.db2.gz FONHJBVNUOTNSX-SJORKVTESA-N 1 2 382.505 -0.511 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000661053056 1073404906 /nfs/dbraw/zinc/40/49/06/1073404906.db2.gz JUOZYKFXJIDTLX-INIZCTEOSA-N 1 2 383.518 -0.349 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000661053056 1073404898 /nfs/dbraw/zinc/40/48/98/1073404898.db2.gz JUOZYKFXJIDTLX-INIZCTEOSA-N 1 2 383.518 -0.349 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000661053057 1073405151 /nfs/dbraw/zinc/40/51/51/1073405151.db2.gz JUOZYKFXJIDTLX-MRXNPFEDSA-N 1 2 383.518 -0.349 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000661053057 1073405147 /nfs/dbraw/zinc/40/51/47/1073405147.db2.gz JUOZYKFXJIDTLX-MRXNPFEDSA-N 1 2 383.518 -0.349 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000661172127 1073416646 /nfs/dbraw/zinc/41/66/46/1073416646.db2.gz GMLFMIKUSYDSAE-CVEARBPZSA-N 1 2 383.489 -0.038 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000661172127 1073416641 /nfs/dbraw/zinc/41/66/41/1073416641.db2.gz GMLFMIKUSYDSAE-CVEARBPZSA-N 1 2 383.489 -0.038 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000661172128 1073416115 /nfs/dbraw/zinc/41/61/15/1073416115.db2.gz GMLFMIKUSYDSAE-HOTGVXAUSA-N 1 2 383.489 -0.038 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000661172128 1073416106 /nfs/dbraw/zinc/41/61/06/1073416106.db2.gz GMLFMIKUSYDSAE-HOTGVXAUSA-N 1 2 383.489 -0.038 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000661172129 1073416228 /nfs/dbraw/zinc/41/62/28/1073416228.db2.gz GMLFMIKUSYDSAE-HZPDHXFCSA-N 1 2 383.489 -0.038 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000661172129 1073416224 /nfs/dbraw/zinc/41/62/24/1073416224.db2.gz GMLFMIKUSYDSAE-HZPDHXFCSA-N 1 2 383.489 -0.038 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000661172130 1073416375 /nfs/dbraw/zinc/41/63/75/1073416375.db2.gz GMLFMIKUSYDSAE-JKSUJKDBSA-N 1 2 383.489 -0.038 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000661172130 1073416371 /nfs/dbraw/zinc/41/63/71/1073416371.db2.gz GMLFMIKUSYDSAE-JKSUJKDBSA-N 1 2 383.489 -0.038 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661182757 1073417496 /nfs/dbraw/zinc/41/74/96/1073417496.db2.gz XGIIGXCRVHFQIO-CABCVRRESA-N 1 2 389.522 -0.627 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661182758 1073417238 /nfs/dbraw/zinc/41/72/38/1073417238.db2.gz XGIIGXCRVHFQIO-HUUCEWRRSA-N 1 2 389.522 -0.627 20 0 GBADLO C[C@H]1OCC[C@]12CN(C(=O)C(=O)N1C[C@H](C)[C@H]([NH+]3CCOCC3)C1)C[C@@H](C)O2 ZINC000661183838 1073417439 /nfs/dbraw/zinc/41/74/39/1073417439.db2.gz HRAHHSLXPATBGW-HRJHHYPFSA-N 1 2 395.500 -0.040 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@@]3(CCO[C@H]3C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000661183839 1073417528 /nfs/dbraw/zinc/41/75/28/1073417528.db2.gz HRAHHSLXPATBGW-PHSQPZKOSA-N 1 2 395.500 -0.040 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)O[C@]3(CCO[C@H]3C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000661183840 1073417638 /nfs/dbraw/zinc/41/76/38/1073417638.db2.gz HRAHHSLXPATBGW-TWGXZMITSA-N 1 2 395.500 -0.040 20 0 GBADLO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N1C[C@H](C)[C@H]([NH+]3CCOCC3)C1)C[C@@H](C)O2 ZINC000661183841 1073418708 /nfs/dbraw/zinc/41/87/08/1073418708.db2.gz HRAHHSLXPATBGW-VMNRDUPSSA-N 1 2 395.500 -0.040 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000661184194 1073418404 /nfs/dbraw/zinc/41/84/04/1073418404.db2.gz YZEZRYVIBAEFEJ-PDOICOKGSA-N 1 2 395.500 -0.038 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000661184196 1073418740 /nfs/dbraw/zinc/41/87/40/1073418740.db2.gz YZEZRYVIBAEFEJ-PFRQMTDMSA-N 1 2 395.500 -0.038 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000661184198 1073418627 /nfs/dbraw/zinc/41/86/27/1073418627.db2.gz YZEZRYVIBAEFEJ-TVKQPGBESA-N 1 2 395.500 -0.038 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000661184200 1073418937 /nfs/dbraw/zinc/41/89/37/1073418937.db2.gz YZEZRYVIBAEFEJ-WOCWXWTJSA-N 1 2 395.500 -0.038 20 0 GBADLO CN(C)S(=O)(=O)CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000661212078 1073420887 /nfs/dbraw/zinc/42/08/87/1073420887.db2.gz ZRJNEPUDVYRNRH-KRWDZBQOSA-N 1 2 397.545 -0.007 20 0 GBADLO CN(C)S(=O)(=O)CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000661212078 1073420877 /nfs/dbraw/zinc/42/08/77/1073420877.db2.gz ZRJNEPUDVYRNRH-KRWDZBQOSA-N 1 2 397.545 -0.007 20 0 GBADLO CN(C)S(=O)(=O)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000661212079 1073421218 /nfs/dbraw/zinc/42/12/18/1073421218.db2.gz ZRJNEPUDVYRNRH-QGZVFWFLSA-N 1 2 397.545 -0.007 20 0 GBADLO CN(C)S(=O)(=O)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000661212079 1073421211 /nfs/dbraw/zinc/42/12/11/1073421211.db2.gz ZRJNEPUDVYRNRH-QGZVFWFLSA-N 1 2 397.545 -0.007 20 0 GBADLO COC[C@H]1CCCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000661227006 1073422255 /nfs/dbraw/zinc/42/22/55/1073422255.db2.gz CLSNMHACBRRWHR-CYBMUJFWSA-N 1 2 387.444 -0.351 20 0 GBADLO COC[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000661227008 1073422094 /nfs/dbraw/zinc/42/20/94/1073422094.db2.gz CLSNMHACBRRWHR-ZDUSSCGKSA-N 1 2 387.444 -0.351 20 0 GBADLO CCCN1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000661264824 1073424113 /nfs/dbraw/zinc/42/41/13/1073424113.db2.gz HSOOQOCLMQWATO-INIZCTEOSA-N 1 2 380.489 -0.220 20 0 GBADLO CCCN1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1=O ZINC000661264825 1073424724 /nfs/dbraw/zinc/42/47/24/1073424724.db2.gz HSOOQOCLMQWATO-MRXNPFEDSA-N 1 2 380.489 -0.220 20 0 GBADLO CCCN1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1=O ZINC000661265635 1073424092 /nfs/dbraw/zinc/42/40/92/1073424092.db2.gz KCYICBDDNHBYRO-CVEARBPZSA-N 1 2 380.489 -0.364 20 0 GBADLO CCCN1CCCN(C(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1=O ZINC000661265636 1073424158 /nfs/dbraw/zinc/42/41/58/1073424158.db2.gz KCYICBDDNHBYRO-HOTGVXAUSA-N 1 2 380.489 -0.364 20 0 GBADLO CCCN1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC1=O ZINC000661265637 1073424118 /nfs/dbraw/zinc/42/41/18/1073424118.db2.gz KCYICBDDNHBYRO-HZPDHXFCSA-N 1 2 380.489 -0.364 20 0 GBADLO CCCN1CCCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC1=O ZINC000661265638 1073424894 /nfs/dbraw/zinc/42/48/94/1073424894.db2.gz KCYICBDDNHBYRO-JKSUJKDBSA-N 1 2 380.489 -0.364 20 0 GBADLO COCCN1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000661271934 1073424189 /nfs/dbraw/zinc/42/41/89/1073424189.db2.gz OXLMMZWTNRCPOA-INIZCTEOSA-N 1 2 396.488 -0.983 20 0 GBADLO COCCN1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1=O ZINC000661271936 1073424959 /nfs/dbraw/zinc/42/49/59/1073424959.db2.gz OXLMMZWTNRCPOA-MRXNPFEDSA-N 1 2 396.488 -0.983 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCCN(CC)C(=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000661277189 1073425410 /nfs/dbraw/zinc/42/54/10/1073425410.db2.gz OZYXPVXGFPMSKS-CVEARBPZSA-N 1 2 380.489 -0.364 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)N2CCCN(CC)C(=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000661277195 1073426056 /nfs/dbraw/zinc/42/60/56/1073426056.db2.gz OZYXPVXGFPMSKS-HOTGVXAUSA-N 1 2 380.489 -0.364 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)N2CCCN(CC)C(=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC000661277200 1073425436 /nfs/dbraw/zinc/42/54/36/1073425436.db2.gz OZYXPVXGFPMSKS-HZPDHXFCSA-N 1 2 380.489 -0.364 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)N2CCCN(CC)C(=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC000661277205 1073425496 /nfs/dbraw/zinc/42/54/96/1073425496.db2.gz OZYXPVXGFPMSKS-JKSUJKDBSA-N 1 2 380.489 -0.364 20 0 GBADLO O=C(N[C@H]1CCNC1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000661382073 1073430652 /nfs/dbraw/zinc/43/06/52/1073430652.db2.gz HFOFZLARNJNPMK-ZDUSSCGKSA-N 1 2 375.433 -0.967 20 0 GBADLO O=C(N[C@H]1CCNC1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000661382073 1073430643 /nfs/dbraw/zinc/43/06/43/1073430643.db2.gz HFOFZLARNJNPMK-ZDUSSCGKSA-N 1 2 375.433 -0.967 20 0 GBADLO O=C(N[C@H]1CCNC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000661386225 1073431275 /nfs/dbraw/zinc/43/12/75/1073431275.db2.gz ZTESWGOQQOUADP-KBPBESRZSA-N 1 2 389.460 -0.530 20 0 GBADLO O=C(N[C@H]1CCNC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000661386225 1073431266 /nfs/dbraw/zinc/43/12/66/1073431266.db2.gz ZTESWGOQQOUADP-KBPBESRZSA-N 1 2 389.460 -0.530 20 0 GBADLO O=C(N[C@H]1CCNC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000661386226 1073431672 /nfs/dbraw/zinc/43/16/72/1073431672.db2.gz ZTESWGOQQOUADP-KGLIPLIRSA-N 1 2 389.460 -0.530 20 0 GBADLO O=C(N[C@H]1CCNC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000661386226 1073431666 /nfs/dbraw/zinc/43/16/66/1073431666.db2.gz ZTESWGOQQOUADP-KGLIPLIRSA-N 1 2 389.460 -0.530 20 0 GBADLO CO[C@]1(CO)CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000661391720 1073431605 /nfs/dbraw/zinc/43/16/05/1073431605.db2.gz JDHLGGYSWAQHMF-GOSISDBHSA-N 1 2 382.461 -0.559 20 0 GBADLO CO[C@]1(CO)CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000661391720 1073431603 /nfs/dbraw/zinc/43/16/03/1073431603.db2.gz JDHLGGYSWAQHMF-GOSISDBHSA-N 1 2 382.461 -0.559 20 0 GBADLO CO[C@@]1(CO)CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000661391721 1073431439 /nfs/dbraw/zinc/43/14/39/1073431439.db2.gz JDHLGGYSWAQHMF-SFHVURJKSA-N 1 2 382.461 -0.559 20 0 GBADLO CO[C@@]1(CO)CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000661391721 1073431436 /nfs/dbraw/zinc/43/14/36/1073431436.db2.gz JDHLGGYSWAQHMF-SFHVURJKSA-N 1 2 382.461 -0.559 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000661393524 1073433043 /nfs/dbraw/zinc/43/30/43/1073433043.db2.gz SEHKNRRWTAJBLF-INIZCTEOSA-N 1 2 387.458 -0.246 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000661393524 1073433040 /nfs/dbraw/zinc/43/30/40/1073433040.db2.gz SEHKNRRWTAJBLF-INIZCTEOSA-N 1 2 387.458 -0.246 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000661393527 1073432981 /nfs/dbraw/zinc/43/29/81/1073432981.db2.gz SEHKNRRWTAJBLF-MRXNPFEDSA-N 1 2 387.458 -0.246 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000661393527 1073432978 /nfs/dbraw/zinc/43/29/78/1073432978.db2.gz SEHKNRRWTAJBLF-MRXNPFEDSA-N 1 2 387.458 -0.246 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[C@@H](O)C(F)(F)C2)CC1 ZINC000661405610 1073432945 /nfs/dbraw/zinc/43/29/45/1073432945.db2.gz XGKLCDNEXOEVIS-CYBMUJFWSA-N 1 2 395.414 -0.286 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[C@H](O)C(F)(F)C2)CC1 ZINC000661405611 1073432900 /nfs/dbraw/zinc/43/29/00/1073432900.db2.gz XGKLCDNEXOEVIS-ZDUSSCGKSA-N 1 2 395.414 -0.286 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOCC2(CCCC2)C1 ZINC000661460481 1073437350 /nfs/dbraw/zinc/43/73/50/1073437350.db2.gz IYXLMMCTWQSGKL-INIZCTEOSA-N 1 2 383.489 -0.443 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOCC2(CCCC2)C1 ZINC000661460484 1073437649 /nfs/dbraw/zinc/43/76/49/1073437649.db2.gz IYXLMMCTWQSGKL-MRXNPFEDSA-N 1 2 383.489 -0.443 20 0 GBADLO COC[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(OC)c1 ZINC000661480274 1073439986 /nfs/dbraw/zinc/43/99/86/1073439986.db2.gz STCIMFBRGZBQLR-CYBMUJFWSA-N 1 2 376.413 -0.165 20 0 GBADLO COC[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(OC)c1 ZINC000661480275 1073439974 /nfs/dbraw/zinc/43/99/74/1073439974.db2.gz STCIMFBRGZBQLR-ZDUSSCGKSA-N 1 2 376.413 -0.165 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)N2CCOCC3(CCOCC3)C2)C[C@@H]1C ZINC000661481557 1073442446 /nfs/dbraw/zinc/44/24/46/1073442446.db2.gz JBHDSFXEIAPHND-INIZCTEOSA-N 1 2 383.489 -0.179 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)N2CCOCC3(CCOCC3)C2)C[C@@H]1C ZINC000661481557 1073442443 /nfs/dbraw/zinc/44/24/43/1073442443.db2.gz JBHDSFXEIAPHND-INIZCTEOSA-N 1 2 383.489 -0.179 20 0 GBADLO COCC[N@H+]1CCN(C(=O)C(=O)N2CCOCC3(CCOCC3)C2)C[C@H]1C ZINC000661481558 1073441993 /nfs/dbraw/zinc/44/19/93/1073441993.db2.gz JBHDSFXEIAPHND-MRXNPFEDSA-N 1 2 383.489 -0.179 20 0 GBADLO COCC[N@@H+]1CCN(C(=O)C(=O)N2CCOCC3(CCOCC3)C2)C[C@H]1C ZINC000661481558 1073441990 /nfs/dbraw/zinc/44/19/90/1073441990.db2.gz JBHDSFXEIAPHND-MRXNPFEDSA-N 1 2 383.489 -0.179 20 0 GBADLO O=C(C(=O)N1CCOCC2(CCOCC2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661483487 1073440659 /nfs/dbraw/zinc/44/06/59/1073440659.db2.gz WLISUILJHUNXPY-KRWDZBQOSA-N 1 2 395.500 -0.035 20 0 GBADLO O=C(C(=O)N1CCOCC2(CCOCC2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661483491 1073441258 /nfs/dbraw/zinc/44/12/58/1073441258.db2.gz WLISUILJHUNXPY-QGZVFWFLSA-N 1 2 395.500 -0.035 20 0 GBADLO C[C@@]12COC[C@]1(C)C[N@H+](CC(=O)N1CCN([C@@H]3CCS(=O)(=O)C3)CC1)C2 ZINC000661502254 1073443097 /nfs/dbraw/zinc/44/30/97/1073443097.db2.gz MWLRFMQHPFKVMO-NXHRZFHOSA-N 1 2 385.530 -0.324 20 0 GBADLO C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)N1CCN([C@@H]3CCS(=O)(=O)C3)CC1)C2 ZINC000661502254 1073443090 /nfs/dbraw/zinc/44/30/90/1073443090.db2.gz MWLRFMQHPFKVMO-NXHRZFHOSA-N 1 2 385.530 -0.324 20 0 GBADLO C[C@@]12COC[C@]1(C)C[N@H+](CC(=O)N1CCN([C@H]3CCS(=O)(=O)C3)CC1)C2 ZINC000661502256 1073443176 /nfs/dbraw/zinc/44/31/76/1073443176.db2.gz MWLRFMQHPFKVMO-RYQLBKOJSA-N 1 2 385.530 -0.324 20 0 GBADLO C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)N1CCN([C@H]3CCS(=O)(=O)C3)CC1)C2 ZINC000661502256 1073443168 /nfs/dbraw/zinc/44/31/68/1073443168.db2.gz MWLRFMQHPFKVMO-RYQLBKOJSA-N 1 2 385.530 -0.324 20 0 GBADLO CCn1nccc1CN(CCO)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661532911 1073446287 /nfs/dbraw/zinc/44/62/87/1073446287.db2.gz KSOQOQRNWWTTDD-KRWDZBQOSA-N 1 2 393.488 -0.453 20 0 GBADLO CCn1nccc1CN(CCO)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661532912 1073447137 /nfs/dbraw/zinc/44/71/37/1073447137.db2.gz KSOQOQRNWWTTDD-QGZVFWFLSA-N 1 2 393.488 -0.453 20 0 GBADLO O=C(CN1CCOC[C@H]1CO)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000661562031 1073450975 /nfs/dbraw/zinc/45/09/75/1073450975.db2.gz IOAXOOFZOWYVTL-GOSISDBHSA-N 1 2 375.469 -0.041 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000661568200 1073452383 /nfs/dbraw/zinc/45/23/83/1073452383.db2.gz DYSNGSDZOCPOKS-GFCCVEGCSA-N 1 2 392.378 -0.500 20 0 GBADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000661568201 1073452093 /nfs/dbraw/zinc/45/20/93/1073452093.db2.gz DYSNGSDZOCPOKS-LBPRGKRZSA-N 1 2 392.378 -0.500 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000661578706 1073454316 /nfs/dbraw/zinc/45/43/16/1073454316.db2.gz RURIIDNVINWDSI-AWEZNQCLSA-N 1 2 393.488 -0.626 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000661578707 1073454228 /nfs/dbraw/zinc/45/42/28/1073454228.db2.gz RURIIDNVINWDSI-CQSZACIVSA-N 1 2 393.488 -0.626 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(=O)[nH]c1=O ZINC000661598781 1073457768 /nfs/dbraw/zinc/45/77/68/1073457768.db2.gz QRRLSLUAMOMLBR-NEPJUHHUSA-N 1 2 377.445 -0.030 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(=O)[nH]c1=O ZINC000661598781 1073457765 /nfs/dbraw/zinc/45/77/65/1073457765.db2.gz QRRLSLUAMOMLBR-NEPJUHHUSA-N 1 2 377.445 -0.030 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(=O)[nH]c1=O ZINC000661598783 1073458915 /nfs/dbraw/zinc/45/89/15/1073458915.db2.gz QRRLSLUAMOMLBR-NWDGAFQWSA-N 1 2 377.445 -0.030 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(=O)[nH]c1=O ZINC000661598783 1073458909 /nfs/dbraw/zinc/45/89/09/1073458909.db2.gz QRRLSLUAMOMLBR-NWDGAFQWSA-N 1 2 377.445 -0.030 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(=O)[nH]c1=O ZINC000661598785 1073458686 /nfs/dbraw/zinc/45/86/86/1073458686.db2.gz QRRLSLUAMOMLBR-RYUDHWBXSA-N 1 2 377.445 -0.030 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(=O)[nH]c1=O ZINC000661598785 1073458683 /nfs/dbraw/zinc/45/86/83/1073458683.db2.gz QRRLSLUAMOMLBR-RYUDHWBXSA-N 1 2 377.445 -0.030 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(=O)[nH]c1=O ZINC000661598787 1073458584 /nfs/dbraw/zinc/45/85/84/1073458584.db2.gz QRRLSLUAMOMLBR-VXGBXAGGSA-N 1 2 377.445 -0.030 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(=O)[nH]c1=O ZINC000661598787 1073458580 /nfs/dbraw/zinc/45/85/80/1073458580.db2.gz QRRLSLUAMOMLBR-VXGBXAGGSA-N 1 2 377.445 -0.030 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(=O)n(C)c1=O ZINC000661599919 1073458468 /nfs/dbraw/zinc/45/84/68/1073458468.db2.gz WLMOVGFSHWHPFZ-CHWSQXEVSA-N 1 2 391.472 -0.432 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(=O)n(C)c1=O ZINC000661599919 1073458461 /nfs/dbraw/zinc/45/84/61/1073458461.db2.gz WLMOVGFSHWHPFZ-CHWSQXEVSA-N 1 2 391.472 -0.432 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(=O)n(C)c1=O ZINC000661599924 1073458531 /nfs/dbraw/zinc/45/85/31/1073458531.db2.gz WLMOVGFSHWHPFZ-OLZOCXBDSA-N 1 2 391.472 -0.432 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(=O)n(C)c1=O ZINC000661599924 1073458526 /nfs/dbraw/zinc/45/85/26/1073458526.db2.gz WLMOVGFSHWHPFZ-OLZOCXBDSA-N 1 2 391.472 -0.432 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(=O)n(C)c1=O ZINC000661599926 1073458980 /nfs/dbraw/zinc/45/89/80/1073458980.db2.gz WLMOVGFSHWHPFZ-QWHCGFSZSA-N 1 2 391.472 -0.432 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(=O)n(C)c1=O ZINC000661599926 1073458973 /nfs/dbraw/zinc/45/89/73/1073458973.db2.gz WLMOVGFSHWHPFZ-QWHCGFSZSA-N 1 2 391.472 -0.432 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(=O)n(C)c1=O ZINC000661599927 1073458437 /nfs/dbraw/zinc/45/84/37/1073458437.db2.gz WLMOVGFSHWHPFZ-STQMWFEESA-N 1 2 391.472 -0.432 20 0 GBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(=O)n(C)c1=O ZINC000661599927 1073458429 /nfs/dbraw/zinc/45/84/29/1073458429.db2.gz WLMOVGFSHWHPFZ-STQMWFEESA-N 1 2 391.472 -0.432 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661607459 1073458807 /nfs/dbraw/zinc/45/88/07/1073458807.db2.gz FEIYYFNGHXQSPU-GXTWGEPZSA-N 1 2 383.470 -0.041 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000661607459 1073458802 /nfs/dbraw/zinc/45/88/02/1073458802.db2.gz FEIYYFNGHXQSPU-GXTWGEPZSA-N 1 2 383.470 -0.041 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000661607461 1073458678 /nfs/dbraw/zinc/45/86/78/1073458678.db2.gz FEIYYFNGHXQSPU-JSGCOSHPSA-N 1 2 383.470 -0.041 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000661607461 1073458676 /nfs/dbraw/zinc/45/86/76/1073458676.db2.gz FEIYYFNGHXQSPU-JSGCOSHPSA-N 1 2 383.470 -0.041 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000661607462 1073458671 /nfs/dbraw/zinc/45/86/71/1073458671.db2.gz FEIYYFNGHXQSPU-OCCSQVGLSA-N 1 2 383.470 -0.041 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C[C@H]1COCCO1 ZINC000661607462 1073458668 /nfs/dbraw/zinc/45/86/68/1073458668.db2.gz FEIYYFNGHXQSPU-OCCSQVGLSA-N 1 2 383.470 -0.041 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661607675 1073459966 /nfs/dbraw/zinc/45/99/66/1073459966.db2.gz FEIYYFNGHXQSPU-TZMCWYRMSA-N 1 2 383.470 -0.041 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000661607675 1073459964 /nfs/dbraw/zinc/45/99/64/1073459964.db2.gz FEIYYFNGHXQSPU-TZMCWYRMSA-N 1 2 383.470 -0.041 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@](O)(C2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000661632068 1073465175 /nfs/dbraw/zinc/46/51/75/1073465175.db2.gz KSKJXOGHHNBBLC-AEFFLSMTSA-N 1 2 385.530 -0.445 20 0 GBADLO O=C(C[N@H+]1CCC[C@@](O)(C2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000661632068 1073465165 /nfs/dbraw/zinc/46/51/65/1073465165.db2.gz KSKJXOGHHNBBLC-AEFFLSMTSA-N 1 2 385.530 -0.445 20 0 GBADLO O=C(C[N@@H+]1CCC[C@](O)(C2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000661632071 1073465007 /nfs/dbraw/zinc/46/50/07/1073465007.db2.gz KSKJXOGHHNBBLC-FUHWJXTLSA-N 1 2 385.530 -0.445 20 0 GBADLO O=C(C[N@H+]1CCC[C@](O)(C2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000661632071 1073465001 /nfs/dbraw/zinc/46/50/01/1073465001.db2.gz KSKJXOGHHNBBLC-FUHWJXTLSA-N 1 2 385.530 -0.445 20 0 GBADLO O=C(C[N@@H+]1CCC[C@](O)(C2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000661632073 1073465234 /nfs/dbraw/zinc/46/52/34/1073465234.db2.gz KSKJXOGHHNBBLC-SJLPKXTDSA-N 1 2 385.530 -0.445 20 0 GBADLO O=C(C[N@H+]1CCC[C@](O)(C2CC2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000661632073 1073465229 /nfs/dbraw/zinc/46/52/29/1073465229.db2.gz KSKJXOGHHNBBLC-SJLPKXTDSA-N 1 2 385.530 -0.445 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@](O)(C2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000661632076 1073465147 /nfs/dbraw/zinc/46/51/47/1073465147.db2.gz KSKJXOGHHNBBLC-WMZOPIPTSA-N 1 2 385.530 -0.445 20 0 GBADLO O=C(C[N@H+]1CCC[C@@](O)(C2CC2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000661632076 1073465142 /nfs/dbraw/zinc/46/51/42/1073465142.db2.gz KSKJXOGHHNBBLC-WMZOPIPTSA-N 1 2 385.530 -0.445 20 0 GBADLO CCO[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000661662596 1073470300 /nfs/dbraw/zinc/47/03/00/1073470300.db2.gz JXFBTSZERWWAFD-SHTZXODSSA-N 1 2 389.522 -0.627 20 0 GBADLO C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCN1S(C)(=O)=O ZINC000661684490 530155429 /nfs/dbraw/zinc/15/54/29/530155429.db2.gz JYKTYBPAAIXLNE-CQSZACIVSA-N 1 2 376.523 -0.821 20 0 GBADLO C[C@@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CCN1S(C)(=O)=O ZINC000661687470 530155640 /nfs/dbraw/zinc/15/56/40/530155640.db2.gz SUXOCPSZAULDTA-GFCCVEGCSA-N 1 2 377.488 -0.322 20 0 GBADLO C[C@@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CCN1S(C)(=O)=O ZINC000661687470 530155639 /nfs/dbraw/zinc/15/56/39/530155639.db2.gz SUXOCPSZAULDTA-GFCCVEGCSA-N 1 2 377.488 -0.322 20 0 GBADLO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000661721088 1073485454 /nfs/dbraw/zinc/48/54/54/1073485454.db2.gz OYJYTPZWCKHWCV-VBKZILBWSA-N 1 2 384.436 -0.183 20 0 GBADLO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000661721088 1073485450 /nfs/dbraw/zinc/48/54/50/1073485450.db2.gz OYJYTPZWCKHWCV-VBKZILBWSA-N 1 2 384.436 -0.183 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000661722768 1073485654 /nfs/dbraw/zinc/48/56/54/1073485654.db2.gz YSMQMKRVEGWAFX-HIFRSBDPSA-N 1 2 399.455 -0.351 20 0 GBADLO Cn1cc(C[N@@H+](C)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1 ZINC000661747481 1073489448 /nfs/dbraw/zinc/48/94/48/1073489448.db2.gz RBOFQVITQDNYFH-UHFFFAOYSA-N 1 2 380.474 -0.357 20 0 GBADLO Cn1cc(C[N@H+](C)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1 ZINC000661747481 1073489441 /nfs/dbraw/zinc/48/94/41/1073489441.db2.gz RBOFQVITQDNYFH-UHFFFAOYSA-N 1 2 380.474 -0.357 20 0 GBADLO CN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)Cc1cn(C)nn1 ZINC000661747912 1073489679 /nfs/dbraw/zinc/48/96/79/1073489679.db2.gz YLHOJPADMPHZEU-UHFFFAOYSA-N 1 2 384.448 -0.728 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NCCC(C)(C)F)CC2)CC1 ZINC000661750229 530155681 /nfs/dbraw/zinc/15/56/81/530155681.db2.gz FQAQSGRKHBSBGC-UHFFFAOYSA-N 1 2 379.502 -0.056 20 0 GBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC(=O)N(C)CC2)CC1 ZINC000661806897 1073493750 /nfs/dbraw/zinc/49/37/50/1073493750.db2.gz JBRGMGQQJHYXFQ-UHFFFAOYSA-N 1 2 386.460 -0.824 20 0 GBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCC(=O)N(C)CC2)CC1 ZINC000661806897 1073493746 /nfs/dbraw/zinc/49/37/46/1073493746.db2.gz JBRGMGQQJHYXFQ-UHFFFAOYSA-N 1 2 386.460 -0.824 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661808745 1073493941 /nfs/dbraw/zinc/49/39/41/1073493941.db2.gz GVFGCSZXINKDPT-GFCCVEGCSA-N 1 2 380.470 -0.224 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000661808745 1073493939 /nfs/dbraw/zinc/49/39/39/1073493939.db2.gz GVFGCSZXINKDPT-GFCCVEGCSA-N 1 2 380.470 -0.224 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661808749 1073493959 /nfs/dbraw/zinc/49/39/59/1073493959.db2.gz GVFGCSZXINKDPT-LBPRGKRZSA-N 1 2 380.470 -0.224 20 0 GBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000661808749 1073493955 /nfs/dbraw/zinc/49/39/55/1073493955.db2.gz GVFGCSZXINKDPT-LBPRGKRZSA-N 1 2 380.470 -0.224 20 0 GBADLO CN1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCC1=O ZINC000661810161 1073494957 /nfs/dbraw/zinc/49/49/57/1073494957.db2.gz QTHIGXRHMJWUGX-UHFFFAOYSA-N 1 2 388.468 -0.061 20 0 GBADLO CN1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCC1=O ZINC000661810161 1073494953 /nfs/dbraw/zinc/49/49/53/1073494953.db2.gz QTHIGXRHMJWUGX-UHFFFAOYSA-N 1 2 388.468 -0.061 20 0 GBADLO CN1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1=O ZINC000661812376 1073495177 /nfs/dbraw/zinc/49/51/77/1073495177.db2.gz YTTWFMVMLFTTRE-UHFFFAOYSA-N 1 2 394.497 -0.316 20 0 GBADLO CN1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1=O ZINC000661812376 1073495171 /nfs/dbraw/zinc/49/51/71/1073495171.db2.gz YTTWFMVMLFTTRE-UHFFFAOYSA-N 1 2 394.497 -0.316 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCOc3ccc(S(N)(=O)=O)cc3)C[C@H]21 ZINC000661881225 530155862 /nfs/dbraw/zinc/15/58/62/530155862.db2.gz QHWLTAQKKMJGNW-ZNMIVQPWSA-N 1 2 390.483 -0.543 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCOc3ccc(S(N)(=O)=O)cc3)C[C@H]21 ZINC000661881225 530155859 /nfs/dbraw/zinc/15/58/59/530155859.db2.gz QHWLTAQKKMJGNW-ZNMIVQPWSA-N 1 2 390.483 -0.543 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CCC(CO)(CO)C2)cc1S(=O)(=O)N(C)C ZINC000661944792 1073505620 /nfs/dbraw/zinc/50/56/20/1073505620.db2.gz IGYNKTGPIVABHL-UHFFFAOYSA-N 1 2 385.486 -0.139 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CCC(CO)(CO)C2)cc1S(=O)(=O)N(C)C ZINC000661944792 1073505609 /nfs/dbraw/zinc/50/56/09/1073505609.db2.gz IGYNKTGPIVABHL-UHFFFAOYSA-N 1 2 385.486 -0.139 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC(CO)(CO)C1 ZINC000661949165 1073505924 /nfs/dbraw/zinc/50/59/24/1073505924.db2.gz NXFFUQUDXUUYNJ-CYBMUJFWSA-N 1 2 385.486 -0.059 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC(CO)(CO)C1 ZINC000661949165 1073505917 /nfs/dbraw/zinc/50/59/17/1073505917.db2.gz NXFFUQUDXUUYNJ-CYBMUJFWSA-N 1 2 385.486 -0.059 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC(CO)(CO)C1 ZINC000661949166 1073505909 /nfs/dbraw/zinc/50/59/09/1073505909.db2.gz NXFFUQUDXUUYNJ-ZDUSSCGKSA-N 1 2 385.486 -0.059 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC(CO)(CO)C1 ZINC000661949166 1073505901 /nfs/dbraw/zinc/50/59/01/1073505901.db2.gz NXFFUQUDXUUYNJ-ZDUSSCGKSA-N 1 2 385.486 -0.059 20 0 GBADLO Cn1c2[nH]c(C[N@@H+](CCN3CCOCC3)CC3CC3)nc2c(=O)n(C)c1=O ZINC000661969032 1073507451 /nfs/dbraw/zinc/50/74/51/1073507451.db2.gz CWLAQNVHRWHUCV-UHFFFAOYSA-N 1 2 376.461 -0.496 20 0 GBADLO Cn1c2[nH]c(C[N@H+](CCN3CCOCC3)CC3CC3)nc2c(=O)n(C)c1=O ZINC000661969032 1073507441 /nfs/dbraw/zinc/50/74/41/1073507441.db2.gz CWLAQNVHRWHUCV-UHFFFAOYSA-N 1 2 376.461 -0.496 20 0 GBADLO Nc1c(C(=O)C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000662056112 1073520335 /nfs/dbraw/zinc/52/03/35/1073520335.db2.gz RHSLFDLORBLMNO-LLVKDONJSA-N 1 2 375.429 -0.007 20 0 GBADLO Nc1c(C(=O)C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000662056112 1073520324 /nfs/dbraw/zinc/52/03/24/1073520324.db2.gz RHSLFDLORBLMNO-LLVKDONJSA-N 1 2 375.429 -0.007 20 0 GBADLO Nc1c(C(=O)C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000662056113 1073520033 /nfs/dbraw/zinc/52/00/33/1073520033.db2.gz RHSLFDLORBLMNO-NSHDSACASA-N 1 2 375.429 -0.007 20 0 GBADLO Nc1c(C(=O)C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000662056113 1073520026 /nfs/dbraw/zinc/52/00/26/1073520026.db2.gz RHSLFDLORBLMNO-NSHDSACASA-N 1 2 375.429 -0.007 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c(=O)[nH]c1=O ZINC000662056875 1073521899 /nfs/dbraw/zinc/52/18/99/1073521899.db2.gz XCIQJFICWSIPAK-GFCCVEGCSA-N 1 2 393.444 -0.696 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c(=O)[nH]c1=O ZINC000662056875 1073521890 /nfs/dbraw/zinc/52/18/90/1073521890.db2.gz XCIQJFICWSIPAK-GFCCVEGCSA-N 1 2 393.444 -0.696 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c(=O)[nH]c1=O ZINC000662056880 1073521939 /nfs/dbraw/zinc/52/19/39/1073521939.db2.gz XCIQJFICWSIPAK-LBPRGKRZSA-N 1 2 393.444 -0.696 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(=O)[nH]c1=O ZINC000662056880 1073521927 /nfs/dbraw/zinc/52/19/27/1073521927.db2.gz XCIQJFICWSIPAK-LBPRGKRZSA-N 1 2 393.444 -0.696 20 0 GBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nccn1C ZINC000662097257 1073528973 /nfs/dbraw/zinc/52/89/73/1073528973.db2.gz POGVYUBAJQVSEE-AWEZNQCLSA-N 1 2 399.521 -0.700 20 0 GBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nccn1C ZINC000662097258 1073529064 /nfs/dbraw/zinc/52/90/64/1073529064.db2.gz POGVYUBAJQVSEE-CQSZACIVSA-N 1 2 399.521 -0.700 20 0 GBADLO C[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1)S(N)(=O)=O ZINC000662112647 1073533740 /nfs/dbraw/zinc/53/37/40/1073533740.db2.gz NFZNODMZXVXKQB-GDBMZVCRSA-N 1 2 383.518 -0.221 20 0 GBADLO C[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1)S(N)(=O)=O ZINC000662112647 1073533730 /nfs/dbraw/zinc/53/37/30/1073533730.db2.gz NFZNODMZXVXKQB-GDBMZVCRSA-N 1 2 383.518 -0.221 20 0 GBADLO C[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1)S(N)(=O)=O ZINC000662112649 1073534015 /nfs/dbraw/zinc/53/40/15/1073534015.db2.gz NFZNODMZXVXKQB-GOEBONIOSA-N 1 2 383.518 -0.221 20 0 GBADLO C[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1)S(N)(=O)=O ZINC000662112649 1073534009 /nfs/dbraw/zinc/53/40/09/1073534009.db2.gz NFZNODMZXVXKQB-GOEBONIOSA-N 1 2 383.518 -0.221 20 0 GBADLO C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1)S(N)(=O)=O ZINC000662112652 1073533646 /nfs/dbraw/zinc/53/36/46/1073533646.db2.gz NFZNODMZXVXKQB-HOCLYGCPSA-N 1 2 383.518 -0.221 20 0 GBADLO C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1)S(N)(=O)=O ZINC000662112652 1073533637 /nfs/dbraw/zinc/53/36/37/1073533637.db2.gz NFZNODMZXVXKQB-HOCLYGCPSA-N 1 2 383.518 -0.221 20 0 GBADLO C[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1)S(N)(=O)=O ZINC000662112655 1073533861 /nfs/dbraw/zinc/53/38/61/1073533861.db2.gz NFZNODMZXVXKQB-ZBFHGGJFSA-N 1 2 383.518 -0.221 20 0 GBADLO C[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1)S(N)(=O)=O ZINC000662112655 1073533853 /nfs/dbraw/zinc/53/38/53/1073533853.db2.gz NFZNODMZXVXKQB-ZBFHGGJFSA-N 1 2 383.518 -0.221 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCN2CCNC(=O)C2)C1 ZINC000662112756 1073533190 /nfs/dbraw/zinc/53/31/90/1073533190.db2.gz OGUUPTDFCKLJBU-GOSISDBHSA-N 1 2 388.516 -0.466 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCN2CCNC(=O)C2)C1 ZINC000662112756 1073533182 /nfs/dbraw/zinc/53/31/82/1073533182.db2.gz OGUUPTDFCKLJBU-GOSISDBHSA-N 1 2 388.516 -0.466 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCN2CCNC(=O)C2)C1 ZINC000662112759 1073533235 /nfs/dbraw/zinc/53/32/35/1073533235.db2.gz OGUUPTDFCKLJBU-SFHVURJKSA-N 1 2 388.516 -0.466 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCN2CCNC(=O)C2)C1 ZINC000662112759 1073533224 /nfs/dbraw/zinc/53/32/24/1073533224.db2.gz OGUUPTDFCKLJBU-SFHVURJKSA-N 1 2 388.516 -0.466 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H](O)Cn2ccnn2)C1 ZINC000662113264 1073533910 /nfs/dbraw/zinc/53/39/10/1073533910.db2.gz QLTFZWSLGBOKGX-MSOLQXFVSA-N 1 2 387.488 -0.246 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@H](O)Cn2ccnn2)C1 ZINC000662113264 1073533902 /nfs/dbraw/zinc/53/39/02/1073533902.db2.gz QLTFZWSLGBOKGX-MSOLQXFVSA-N 1 2 387.488 -0.246 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H](O)Cn2ccnn2)C1 ZINC000662113265 1073534958 /nfs/dbraw/zinc/53/49/58/1073534958.db2.gz QLTFZWSLGBOKGX-QZTJIDSGSA-N 1 2 387.488 -0.246 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@H](O)Cn2ccnn2)C1 ZINC000662113265 1073534946 /nfs/dbraw/zinc/53/49/46/1073534946.db2.gz QLTFZWSLGBOKGX-QZTJIDSGSA-N 1 2 387.488 -0.246 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@H](O)Cn2ccnn2)C1 ZINC000662113266 1073535084 /nfs/dbraw/zinc/53/50/84/1073535084.db2.gz QLTFZWSLGBOKGX-ROUUACIJSA-N 1 2 387.488 -0.246 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@H](O)Cn2ccnn2)C1 ZINC000662113266 1073535078 /nfs/dbraw/zinc/53/50/78/1073535078.db2.gz QLTFZWSLGBOKGX-ROUUACIJSA-N 1 2 387.488 -0.246 20 0 GBADLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H](O)Cn2ccnn2)C1 ZINC000662113267 1073535050 /nfs/dbraw/zinc/53/50/50/1073535050.db2.gz QLTFZWSLGBOKGX-ZWKOTPCHSA-N 1 2 387.488 -0.246 20 0 GBADLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H](O)Cn2ccnn2)C1 ZINC000662113267 1073535046 /nfs/dbraw/zinc/53/50/46/1073535046.db2.gz QLTFZWSLGBOKGX-ZWKOTPCHSA-N 1 2 387.488 -0.246 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(=O)[nH]c1=O ZINC000662114832 1073535132 /nfs/dbraw/zinc/53/51/32/1073535132.db2.gz BOQWJRJBUJZLBG-GFCCVEGCSA-N 1 2 395.460 -0.403 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(=O)[nH]c1=O ZINC000662114832 1073535125 /nfs/dbraw/zinc/53/51/25/1073535125.db2.gz BOQWJRJBUJZLBG-GFCCVEGCSA-N 1 2 395.460 -0.403 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(=O)[nH]c1=O ZINC000662120007 1073536307 /nfs/dbraw/zinc/53/63/07/1073536307.db2.gz BOQWJRJBUJZLBG-LBPRGKRZSA-N 1 2 395.460 -0.403 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(=O)[nH]c1=O ZINC000662120007 1073536294 /nfs/dbraw/zinc/53/62/94/1073536294.db2.gz BOQWJRJBUJZLBG-LBPRGKRZSA-N 1 2 395.460 -0.403 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCc3nccnc3C2)CC1 ZINC000662123101 1073536056 /nfs/dbraw/zinc/53/60/56/1073536056.db2.gz WYQIAONWJAHTAG-UHFFFAOYSA-N 1 2 393.455 -0.140 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)CC1 ZINC000662162170 1073541135 /nfs/dbraw/zinc/54/11/35/1073541135.db2.gz ODFZTEUEOZBLQH-INIZCTEOSA-N 1 2 384.427 -0.180 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H](CO)c2ccc(F)cc2F)CC1 ZINC000662162171 1073540944 /nfs/dbraw/zinc/54/09/44/1073540944.db2.gz ODFZTEUEOZBLQH-MRXNPFEDSA-N 1 2 384.427 -0.180 20 0 GBADLO CN(CCCNC(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F)S(C)(=O)=O ZINC000662164683 530156288 /nfs/dbraw/zinc/15/62/88/530156288.db2.gz GNBHJCLTZUQOBO-AWEZNQCLSA-N 1 2 379.429 -0.015 20 0 GBADLO CN(CCCNC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F)S(C)(=O)=O ZINC000662164685 530156105 /nfs/dbraw/zinc/15/61/05/530156105.db2.gz GNBHJCLTZUQOBO-CQSZACIVSA-N 1 2 379.429 -0.015 20 0 GBADLO CCn1nccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000662173691 1073543393 /nfs/dbraw/zinc/54/33/93/1073543393.db2.gz PAGSIFOHUQBYCH-UHFFFAOYSA-N 1 2 399.521 -0.778 20 0 GBADLO C[C@H]1[C@H](C)[N@@H+](CCS(=O)(=O)N(C)C)CCN1CCS(=O)(=O)N(C)C ZINC000662221600 530156354 /nfs/dbraw/zinc/15/63/54/530156354.db2.gz AYJWFEVHQXRDSP-KBPBESRZSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@H]1[C@H](C)[N@H+](CCS(=O)(=O)N(C)C)CCN1CCS(=O)(=O)N(C)C ZINC000662221600 530156352 /nfs/dbraw/zinc/15/63/52/530156352.db2.gz AYJWFEVHQXRDSP-KBPBESRZSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1[C@H](C)[N@@H+](CCS(=O)(=O)N(C)C)CCN1CCS(=O)(=O)N(C)C ZINC000662221602 530156598 /nfs/dbraw/zinc/15/65/98/530156598.db2.gz AYJWFEVHQXRDSP-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1[C@H](C)[N@H+](CCS(=O)(=O)N(C)C)CCN1CCS(=O)(=O)N(C)C ZINC000662221602 530156595 /nfs/dbraw/zinc/15/65/95/530156595.db2.gz AYJWFEVHQXRDSP-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1[C@H](C)N(CCS(=O)(=O)N(C)C)CC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000662221602 530156592 /nfs/dbraw/zinc/15/65/92/530156592.db2.gz AYJWFEVHQXRDSP-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1[C@H](C)N(CCS(=O)(=O)N(C)C)CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000662221602 530156589 /nfs/dbraw/zinc/15/65/89/530156589.db2.gz AYJWFEVHQXRDSP-OKILXGFUSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1[C@@H](C)[N@@H+](CCS(=O)(=O)N(C)C)CCN1CCS(=O)(=O)N(C)C ZINC000662221603 530156531 /nfs/dbraw/zinc/15/65/31/530156531.db2.gz AYJWFEVHQXRDSP-ZIAGYGMSSA-N 1 2 384.568 -0.836 20 0 GBADLO C[C@@H]1[C@@H](C)[N@H+](CCS(=O)(=O)N(C)C)CCN1CCS(=O)(=O)N(C)C ZINC000662221603 530156528 /nfs/dbraw/zinc/15/65/28/530156528.db2.gz AYJWFEVHQXRDSP-ZIAGYGMSSA-N 1 2 384.568 -0.836 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@@H+](CCNS(=O)(=O)CC)[C@@H](C)[C@@H]1C ZINC000662225728 530156410 /nfs/dbraw/zinc/15/64/10/530156410.db2.gz NHHAYZZBONWWIC-KBPBESRZSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@H+](CCNS(=O)(=O)CC)[C@@H](C)[C@@H]1C ZINC000662225728 530156408 /nfs/dbraw/zinc/15/64/08/530156408.db2.gz NHHAYZZBONWWIC-KBPBESRZSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@@H+](CCNS(=O)(=O)CC)[C@H](C)[C@@H]1C ZINC000662225736 530156382 /nfs/dbraw/zinc/15/63/82/530156382.db2.gz NHHAYZZBONWWIC-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@H+](CCNS(=O)(=O)CC)[C@H](C)[C@@H]1C ZINC000662225736 530156381 /nfs/dbraw/zinc/15/63/81/530156381.db2.gz NHHAYZZBONWWIC-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@@H+](CCNS(=O)(=O)CC)[C@@H](C)[C@H]1C ZINC000662225736 530156379 /nfs/dbraw/zinc/15/63/79/530156379.db2.gz NHHAYZZBONWWIC-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@H+](CCNS(=O)(=O)CC)[C@@H](C)[C@H]1C ZINC000662225736 530156377 /nfs/dbraw/zinc/15/63/77/530156377.db2.gz NHHAYZZBONWWIC-OKILXGFUSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@@H+](CCNS(=O)(=O)CC)[C@H](C)[C@H]1C ZINC000662225737 530156319 /nfs/dbraw/zinc/15/63/19/530156319.db2.gz NHHAYZZBONWWIC-ZIAGYGMSSA-N 1 2 384.568 -0.740 20 0 GBADLO CCS(=O)(=O)NCCN1CC[N@H+](CCNS(=O)(=O)CC)[C@H](C)[C@H]1C ZINC000662225737 530156318 /nfs/dbraw/zinc/15/63/18/530156318.db2.gz NHHAYZZBONWWIC-ZIAGYGMSSA-N 1 2 384.568 -0.740 20 0 GBADLO Cn1c2ncn(CC[N@H+]3CCn4c(nnc4C(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000662247732 1073552499 /nfs/dbraw/zinc/55/24/99/1073552499.db2.gz ZKDSBCXDSGOHDD-UHFFFAOYSA-N 1 2 386.460 -0.162 20 0 GBADLO Cn1c2ncn(CC[N@@H+]3CCn4c(nnc4C(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000662247732 1073552491 /nfs/dbraw/zinc/55/24/91/1073552491.db2.gz ZKDSBCXDSGOHDD-UHFFFAOYSA-N 1 2 386.460 -0.162 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCc3c(cccc3C(N)=O)C2)CC1 ZINC000662300083 1073558340 /nfs/dbraw/zinc/55/83/40/1073558340.db2.gz MQXVBMSFIDWLGS-UHFFFAOYSA-N 1 2 387.484 -0.624 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCc3c(cccc3C(N)=O)C2)CC1 ZINC000662300083 1073558330 /nfs/dbraw/zinc/55/83/30/1073558330.db2.gz MQXVBMSFIDWLGS-UHFFFAOYSA-N 1 2 387.484 -0.624 20 0 GBADLO Cc1cc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C)[nH+]1 ZINC000662439179 1073565654 /nfs/dbraw/zinc/56/56/54/1073565654.db2.gz SKWANKHXFKQBDE-UHFFFAOYSA-N 1 2 383.474 -0.104 20 0 GBADLO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662505099 530156493 /nfs/dbraw/zinc/15/64/93/530156493.db2.gz FNFDOKWCXBCXLD-HZMBPMFUSA-N 1 2 375.397 -0.274 20 0 GBADLO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662505100 530156617 /nfs/dbraw/zinc/15/66/17/530156617.db2.gz FNFDOKWCXBCXLD-IINYFYTJSA-N 1 2 375.397 -0.274 20 0 GBADLO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662505101 530156477 /nfs/dbraw/zinc/15/64/77/530156477.db2.gz FNFDOKWCXBCXLD-QMTHXVAHSA-N 1 2 375.397 -0.274 20 0 GBADLO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662505102 530156424 /nfs/dbraw/zinc/15/64/24/530156424.db2.gz FNFDOKWCXBCXLD-YGRLFVJLSA-N 1 2 375.397 -0.274 20 0 GBADLO C[C@@H](NC(=O)[C@H]([NH3+])c1ccc(F)cc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000662573749 530156268 /nfs/dbraw/zinc/15/62/68/530156268.db2.gz BZZRHQZXAMGAII-NOZJJQNGSA-N 1 2 375.397 -0.274 20 0 GBADLO C[C@@H](NC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000662573750 530156301 /nfs/dbraw/zinc/15/63/01/530156301.db2.gz BZZRHQZXAMGAII-RNCFNFMXSA-N 1 2 375.397 -0.274 20 0 GBADLO C[C@H](NC(=O)[C@H]([NH3+])c1ccc(F)cc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000662573751 530156208 /nfs/dbraw/zinc/15/62/08/530156208.db2.gz BZZRHQZXAMGAII-TVQRCGJNSA-N 1 2 375.397 -0.274 20 0 GBADLO C[C@H](NC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000662573752 530156482 /nfs/dbraw/zinc/15/64/82/530156482.db2.gz BZZRHQZXAMGAII-ZANVPECISA-N 1 2 375.397 -0.274 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000662692126 1073582695 /nfs/dbraw/zinc/58/26/95/1073582695.db2.gz MBNLCCGKRAGXLD-HNNXBMFYSA-N 1 2 380.470 -0.149 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000662692127 1073582592 /nfs/dbraw/zinc/58/25/92/1073582592.db2.gz MBNLCCGKRAGXLD-OAHLLOKOSA-N 1 2 380.470 -0.149 20 0 GBADLO C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1)c1[nH+]ccn1C ZINC000662849856 530157638 /nfs/dbraw/zinc/15/76/38/530157638.db2.gz OTAUGGGTPNONJU-JTQLQIEISA-N 1 2 376.464 -0.044 20 0 GBADLO C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1)c1[nH+]ccn1C ZINC000662849860 530157511 /nfs/dbraw/zinc/15/75/11/530157511.db2.gz OTAUGGGTPNONJU-SNVBAGLBSA-N 1 2 376.464 -0.044 20 0 GBADLO CN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CCC1=O ZINC000662851684 530157662 /nfs/dbraw/zinc/15/76/62/530157662.db2.gz ITFGGXZYRFNQES-UHFFFAOYSA-N 1 2 390.487 -0.871 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@H]1C[C@H](O)C12CCC2)Nc1cc[nH+]cc1 ZINC000662852197 530157408 /nfs/dbraw/zinc/15/74/08/530157408.db2.gz NPYYJYYJXXTTQP-KBPBESRZSA-N 1 2 389.499 -0.142 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@@H]1C[C@H](O)C12CCC2)Nc1cc[nH+]cc1 ZINC000662852198 530157909 /nfs/dbraw/zinc/15/79/09/530157909.db2.gz NPYYJYYJXXTTQP-KGLIPLIRSA-N 1 2 389.499 -0.142 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@H]1C[C@@H](O)C12CCC2)Nc1cc[nH+]cc1 ZINC000662852199 530157528 /nfs/dbraw/zinc/15/75/28/530157528.db2.gz NPYYJYYJXXTTQP-UONOGXRCSA-N 1 2 389.499 -0.142 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N[C@@H]1C[C@@H](O)C12CCC2)Nc1cc[nH+]cc1 ZINC000662852200 530157730 /nfs/dbraw/zinc/15/77/30/530157730.db2.gz NPYYJYYJXXTTQP-ZIAGYGMSSA-N 1 2 389.499 -0.142 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@]1(C)CO ZINC000662852396 530158313 /nfs/dbraw/zinc/15/83/13/530158313.db2.gz JZWQJUVMDYPZFI-DZGCQCFKSA-N 1 2 391.515 -0.085 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@]1(C)CO ZINC000662852399 530158275 /nfs/dbraw/zinc/15/82/75/530158275.db2.gz JZWQJUVMDYPZFI-HIFRSBDPSA-N 1 2 391.515 -0.085 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@]1(C)CO ZINC000662852401 530158270 /nfs/dbraw/zinc/15/82/70/530158270.db2.gz JZWQJUVMDYPZFI-UKRRQHHQSA-N 1 2 391.515 -0.085 20 0 GBADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C[C@@]1(C)CO ZINC000662852402 530158576 /nfs/dbraw/zinc/15/85/76/530158576.db2.gz JZWQJUVMDYPZFI-ZFWWWQNUSA-N 1 2 391.515 -0.085 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC2(COC2)C1)Nc1cc[nH+]cc1 ZINC000662852524 530158214 /nfs/dbraw/zinc/15/82/14/530158214.db2.gz LHXUGFGOVOVFEV-UHFFFAOYSA-N 1 2 375.472 -0.313 20 0 GBADLO C[C@H](O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000662853397 530158573 /nfs/dbraw/zinc/15/85/73/530158573.db2.gz CWGXIEABUFWQCS-GXTWGEPZSA-N 1 2 377.488 -0.190 20 0 GBADLO C[C@@H](O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000662853398 530158352 /nfs/dbraw/zinc/15/83/52/530158352.db2.gz CWGXIEABUFWQCS-TZMCWYRMSA-N 1 2 377.488 -0.190 20 0 GBADLO CN(C[C@H]1COCCO1)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000662854528 530158342 /nfs/dbraw/zinc/15/83/42/530158342.db2.gz CQRLAKOEAVGBEV-AWEZNQCLSA-N 1 2 393.487 -0.688 20 0 GBADLO CN(C[C@@H]1COCCO1)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000662854529 530158205 /nfs/dbraw/zinc/15/82/05/530158205.db2.gz CQRLAKOEAVGBEV-CQSZACIVSA-N 1 2 393.487 -0.688 20 0 GBADLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 ZINC000662863996 530159910 /nfs/dbraw/zinc/15/99/10/530159910.db2.gz MAJNWZXRWHZMJD-UHFFFAOYSA-N 1 2 388.475 -0.392 20 0 GBADLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 ZINC000662863996 530159906 /nfs/dbraw/zinc/15/99/06/530159906.db2.gz MAJNWZXRWHZMJD-UHFFFAOYSA-N 1 2 388.475 -0.392 20 0 GBADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904470 1073461891 /nfs/dbraw/zinc/46/18/91/1073461891.db2.gz UKFZFWAVAKDEJP-AUUYWEPGSA-N 1 2 396.488 -0.970 20 0 GBADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662904470 1073461887 /nfs/dbraw/zinc/46/18/87/1073461887.db2.gz UKFZFWAVAKDEJP-AUUYWEPGSA-N 1 2 396.488 -0.970 20 0 GBADLO COc1cc(F)ccc1S(=O)(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000663299876 530160828 /nfs/dbraw/zinc/16/08/28/530160828.db2.gz NJJRLYVRJYWRGK-UHFFFAOYSA-N 1 2 375.422 -0.439 20 0 GBADLO COCCNC(=O)CN1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663356469 1073569067 /nfs/dbraw/zinc/56/90/67/1073569067.db2.gz LHPOVDSXOYIUBD-UHFFFAOYSA-N 1 2 392.504 -0.288 20 0 GBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3cc(S(N)(=O)=O)ccc3[nH]2)CC1 ZINC000663366945 1073570663 /nfs/dbraw/zinc/57/06/63/1073570663.db2.gz NCHZOHAIOTXFPX-LLVKDONJSA-N 1 2 392.485 -0.001 20 0 GBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3cc(S(N)(=O)=O)ccc3[nH]2)CC1 ZINC000663366946 1073571050 /nfs/dbraw/zinc/57/10/50/1073571050.db2.gz NCHZOHAIOTXFPX-NSHDSACASA-N 1 2 392.485 -0.001 20 0 GBADLO Cc1c(NCCCNS(C)(=O)=O)nc[nH+]c1NCCCNS(C)(=O)=O ZINC000663381925 530160924 /nfs/dbraw/zinc/16/09/24/530160924.db2.gz RLWBOVPWTJZKAK-UHFFFAOYSA-N 1 2 394.523 -0.513 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663383050 1073574801 /nfs/dbraw/zinc/57/48/01/1073574801.db2.gz OBLBJVFSFJZRHF-UHFFFAOYSA-N 1 2 384.506 -0.244 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663383050 1073574788 /nfs/dbraw/zinc/57/47/88/1073574788.db2.gz OBLBJVFSFJZRHF-UHFFFAOYSA-N 1 2 384.506 -0.244 20 0 GBADLO CCOc1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc(C)n1 ZINC000663386213 1073576870 /nfs/dbraw/zinc/57/68/70/1073576870.db2.gz YWEZXTLPKFLGFL-UHFFFAOYSA-N 1 2 384.506 -0.202 20 0 GBADLO CC1(O)CCN(c2cc(N3CCN(C(=O)C(=O)NC4CC4)CC3)[nH+]cn2)CC1 ZINC000663394126 1073578608 /nfs/dbraw/zinc/57/86/08/1073578608.db2.gz SOLXXBNBZCXBPS-UHFFFAOYSA-N 1 2 388.472 -0.245 20 0 GBADLO CC1(O)CCN(c2cc(N3CCN(C(=O)C(=O)NC4CC4)CC3)nc[nH+]2)CC1 ZINC000663394126 1073578602 /nfs/dbraw/zinc/57/86/02/1073578602.db2.gz SOLXXBNBZCXBPS-UHFFFAOYSA-N 1 2 388.472 -0.245 20 0 GBADLO CC[NH+]1CCN(CCNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000663399210 530160912 /nfs/dbraw/zinc/16/09/12/530160912.db2.gz VBUPCBZQSBOGBV-UHFFFAOYSA-N 1 2 390.531 -0.213 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000663406563 1073582034 /nfs/dbraw/zinc/58/20/34/1073582034.db2.gz DQOYLGNJJMFSEJ-HNNXBMFYSA-N 1 2 382.486 -0.007 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000663406564 1073582274 /nfs/dbraw/zinc/58/22/74/1073582274.db2.gz DQOYLGNJJMFSEJ-OAHLLOKOSA-N 1 2 382.486 -0.007 20 0 GBADLO CC1(O)CCN(c2cc(NCCN3CCN(S(C)(=O)=O)CC3)nc[nH+]2)CC1 ZINC000663419952 1073584137 /nfs/dbraw/zinc/58/41/37/1073584137.db2.gz JMZDTNNQGVUWNL-UHFFFAOYSA-N 1 2 398.533 -0.183 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000663439893 1073587561 /nfs/dbraw/zinc/58/75/61/1073587561.db2.gz ZMHQNULOBHBFMI-UHFFFAOYSA-N 1 2 391.538 -0.333 20 0 GBADLO CCS(=O)(=O)NCCNc1nc[nH+]c(NCCNS(=O)(=O)CC)c1C ZINC000663524573 530160784 /nfs/dbraw/zinc/16/07/84/530160784.db2.gz YPBQFZTVGPPFCR-UHFFFAOYSA-N 1 2 394.523 -0.513 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000663543818 530161784 /nfs/dbraw/zinc/16/17/84/530161784.db2.gz RUDFGNCOAJXHFM-RFQIPJPRSA-N 1 2 377.507 -0.015 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000663543818 530161781 /nfs/dbraw/zinc/16/17/81/530161781.db2.gz RUDFGNCOAJXHFM-RFQIPJPRSA-N 1 2 377.507 -0.015 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000663543819 530161731 /nfs/dbraw/zinc/16/17/31/530161731.db2.gz RUDFGNCOAJXHFM-XDQVBPFNSA-N 1 2 377.507 -0.015 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000663543820 530161807 /nfs/dbraw/zinc/16/18/07/530161807.db2.gz RUDFGNCOAJXHFM-XJFOESAGSA-N 1 2 377.507 -0.015 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000663543820 530161805 /nfs/dbraw/zinc/16/18/05/530161805.db2.gz RUDFGNCOAJXHFM-XJFOESAGSA-N 1 2 377.507 -0.015 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000663543821 530161576 /nfs/dbraw/zinc/16/15/76/530161576.db2.gz RUDFGNCOAJXHFM-YIYPIFLZSA-N 1 2 377.507 -0.015 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@@](C)(C(F)F)O1 ZINC000663546258 1073610813 /nfs/dbraw/zinc/61/08/13/1073610813.db2.gz URCXMMJXZACGNM-IGCXYCKISA-N 1 2 393.431 -0.591 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@](C)(C(F)F)O1 ZINC000663546259 1073610675 /nfs/dbraw/zinc/61/06/75/1073610675.db2.gz URCXMMJXZACGNM-IIYDPXPESA-N 1 2 393.431 -0.591 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@](C)(C(F)F)O1 ZINC000663546260 1073610633 /nfs/dbraw/zinc/61/06/33/1073610633.db2.gz URCXMMJXZACGNM-PBFPGSCMSA-N 1 2 393.431 -0.591 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@@](C)(C(F)F)O1 ZINC000663546261 1073610970 /nfs/dbraw/zinc/61/09/70/1073610970.db2.gz URCXMMJXZACGNM-XNJGSVPQSA-N 1 2 393.431 -0.591 20 0 GBADLO CNS(=O)(=O)N1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000663557500 1073612897 /nfs/dbraw/zinc/61/28/97/1073612897.db2.gz RSIOPGZOSQNVTI-UHFFFAOYSA-N 1 2 382.490 -0.027 20 0 GBADLO Cn1c(=O)cc(N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)n(C)c1=O ZINC000663579854 1073618002 /nfs/dbraw/zinc/61/80/02/1073618002.db2.gz JWUDCPPNICWFDU-UHFFFAOYSA-N 1 2 389.431 -0.225 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000663637985 1073633412 /nfs/dbraw/zinc/63/34/12/1073633412.db2.gz GLBNWILNYDMOCP-CYBMUJFWSA-N 1 2 386.478 -0.854 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000663637986 1073633196 /nfs/dbraw/zinc/63/31/96/1073633196.db2.gz GLBNWILNYDMOCP-ZDUSSCGKSA-N 1 2 386.478 -0.854 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000663638754 530161952 /nfs/dbraw/zinc/16/19/52/530161952.db2.gz RIBUFOAXTFTXFO-AWEZNQCLSA-N 1 2 377.511 -0.723 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000663638756 530161937 /nfs/dbraw/zinc/16/19/37/530161937.db2.gz RIBUFOAXTFTXFO-CQSZACIVSA-N 1 2 377.511 -0.723 20 0 GBADLO Cn1nnc2c1ncnc2N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000663645880 1073636433 /nfs/dbraw/zinc/63/64/33/1073636433.db2.gz GLPMWPZXAUGAGX-UHFFFAOYSA-N 1 2 382.432 -0.289 20 0 GBADLO Cn1nnc2c1ncnc2N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000663645880 1073636427 /nfs/dbraw/zinc/63/64/27/1073636427.db2.gz GLPMWPZXAUGAGX-UHFFFAOYSA-N 1 2 382.432 -0.289 20 0 GBADLO Cn1c(=O)cc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n(C)c1=O ZINC000663647855 1073636405 /nfs/dbraw/zinc/63/64/05/1073636405.db2.gz XPHOQJJNKISRSA-UHFFFAOYSA-N 1 2 387.444 -0.963 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1C[C@H](O)C1 ZINC000663661484 1073643405 /nfs/dbraw/zinc/64/34/05/1073643405.db2.gz AOJVNVXPAXDPBI-HDJSIYSDSA-N 1 2 383.474 -0.644 20 0 GBADLO O=C(NC/C=C\CO)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000663663194 1073644054 /nfs/dbraw/zinc/64/40/54/1073644054.db2.gz MBXQQUMUIYXTTQ-ARJAWSKDSA-N 1 2 383.474 -0.619 20 0 GBADLO O=C(NC/C=C/CO)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000663663196 1073644246 /nfs/dbraw/zinc/64/42/46/1073644246.db2.gz MBXQQUMUIYXTTQ-ONEGZZNKSA-N 1 2 383.474 -0.619 20 0 GBADLO CNS(=O)(=O)N1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000663679888 1073650350 /nfs/dbraw/zinc/65/03/50/1073650350.db2.gz LKHNDZBSKBGUCR-UHFFFAOYSA-N 1 2 382.490 -0.158 20 0 GBADLO Cc1c(NCC(=O)N2CCOCC2)nc[nH+]c1NCC(=O)N1CCOCC1 ZINC000663773699 1073676401 /nfs/dbraw/zinc/67/64/01/1073676401.db2.gz OQYFZLYODSDLEV-UHFFFAOYSA-N 1 2 378.433 -0.674 20 0 GBADLO O=C(NC[C@]1(OCCO)CCOC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000663782786 1073689847 /nfs/dbraw/zinc/68/98/47/1073689847.db2.gz UBRBKCUAACFNRX-DLBZAZTESA-N 1 2 389.518 -0.339 20 0 GBADLO O=C(NC[C@]1(OCCO)CCOC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000663782787 1073689729 /nfs/dbraw/zinc/68/97/29/1073689729.db2.gz UBRBKCUAACFNRX-IAGOWNOFSA-N 1 2 389.518 -0.339 20 0 GBADLO O=C(NC[C@@]1(OCCO)CCOC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000663782788 1073689212 /nfs/dbraw/zinc/68/92/12/1073689212.db2.gz UBRBKCUAACFNRX-IRXDYDNUSA-N 1 2 389.518 -0.339 20 0 GBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)NC[C@@]1(OCCO)CCOC1 ZINC000663782789 1073689042 /nfs/dbraw/zinc/68/90/42/1073689042.db2.gz UBRBKCUAACFNRX-SJORKVTESA-N 1 2 389.518 -0.339 20 0 GBADLO Cn1nnc(CNc2nc[nH+]c(NCc3nnn(C)n3)c2Br)n1 ZINC000663851564 530162772 /nfs/dbraw/zinc/16/27/72/530162772.db2.gz DDCDBMQFUHBJPG-UHFFFAOYSA-N 1 2 381.202 -0.490 20 0 GBADLO C[C@H](CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)S(N)(=O)=O ZINC000663878486 1073855665 /nfs/dbraw/zinc/85/56/65/1073855665.db2.gz KECMPWTZUOTPQN-CYBMUJFWSA-N 1 2 398.489 -0.904 20 0 GBADLO C[C@@H](CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)S(N)(=O)=O ZINC000663878493 1073854968 /nfs/dbraw/zinc/85/49/68/1073854968.db2.gz KECMPWTZUOTPQN-ZDUSSCGKSA-N 1 2 398.489 -0.904 20 0 GBADLO O=C(CCNC(=O)N1CCC(O)(CO)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000663879139 1073852367 /nfs/dbraw/zinc/85/23/67/1073852367.db2.gz OOXBYWLRIMTIJD-UHFFFAOYSA-N 1 2 391.472 -0.351 20 0 GBADLO CS(=O)(=O)C1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000663879863 1073856837 /nfs/dbraw/zinc/85/68/37/1073856837.db2.gz VCYWVGCABCWFRC-UHFFFAOYSA-N 1 2 395.485 -0.441 20 0 GBADLO CN1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000663880160 1073856416 /nfs/dbraw/zinc/85/64/16/1073856416.db2.gz YHTPQUCSMHGDTO-UHFFFAOYSA-N 1 2 388.472 -0.006 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000663899780 1073862429 /nfs/dbraw/zinc/86/24/29/1073862429.db2.gz OSXMUUMGRUNMLF-UHFFFAOYSA-N 1 2 391.538 -0.333 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000663899780 1073862424 /nfs/dbraw/zinc/86/24/24/1073862424.db2.gz OSXMUUMGRUNMLF-UHFFFAOYSA-N 1 2 391.538 -0.333 20 0 GBADLO Cc1c(NCCS(=O)(=O)N(C)C)nc[nH+]c1NCCS(=O)(=O)N(C)C ZINC000663923492 530162300 /nfs/dbraw/zinc/16/23/00/530162300.db2.gz CUWAKOAMZNZAOY-UHFFFAOYSA-N 1 2 394.523 -0.608 20 0 GBADLO CNS(=O)(=O)N1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000663960401 530162431 /nfs/dbraw/zinc/16/24/31/530162431.db2.gz ZUWTYSIRICHZOH-UHFFFAOYSA-N 1 2 384.384 -0.263 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000663972497 1073872817 /nfs/dbraw/zinc/87/28/17/1073872817.db2.gz IXMSHGJOXBWPOZ-UHFFFAOYSA-N 1 2 391.538 -0.333 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000663972497 1073872806 /nfs/dbraw/zinc/87/28/06/1073872806.db2.gz IXMSHGJOXBWPOZ-UHFFFAOYSA-N 1 2 391.538 -0.333 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000663991292 1073875901 /nfs/dbraw/zinc/87/59/01/1073875901.db2.gz NZVUXANYKJSYAF-CYBMUJFWSA-N 1 2 386.478 -0.854 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000663991292 1073875890 /nfs/dbraw/zinc/87/58/90/1073875890.db2.gz NZVUXANYKJSYAF-CYBMUJFWSA-N 1 2 386.478 -0.854 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000663991294 1073875683 /nfs/dbraw/zinc/87/56/83/1073875683.db2.gz NZVUXANYKJSYAF-ZDUSSCGKSA-N 1 2 386.478 -0.854 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000663991294 1073875672 /nfs/dbraw/zinc/87/56/72/1073875672.db2.gz NZVUXANYKJSYAF-ZDUSSCGKSA-N 1 2 386.478 -0.854 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000663991803 530163488 /nfs/dbraw/zinc/16/34/88/530163488.db2.gz SLLMNVHRGRMYOV-AWEZNQCLSA-N 1 2 377.511 -0.723 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000663991803 530163485 /nfs/dbraw/zinc/16/34/85/530163485.db2.gz SLLMNVHRGRMYOV-AWEZNQCLSA-N 1 2 377.511 -0.723 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000663991804 530163163 /nfs/dbraw/zinc/16/31/63/530163163.db2.gz SLLMNVHRGRMYOV-CQSZACIVSA-N 1 2 377.511 -0.723 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000663991804 530163159 /nfs/dbraw/zinc/16/31/59/530163159.db2.gz SLLMNVHRGRMYOV-CQSZACIVSA-N 1 2 377.511 -0.723 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000664009932 1073877423 /nfs/dbraw/zinc/87/74/23/1073877423.db2.gz ZYNOKKOOEPSCFB-CABCVRRESA-N 1 2 391.538 -0.334 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000664009934 1073877513 /nfs/dbraw/zinc/87/75/13/1073877513.db2.gz ZYNOKKOOEPSCFB-GJZGRUSLSA-N 1 2 391.538 -0.334 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000664009935 1073877528 /nfs/dbraw/zinc/87/75/28/1073877528.db2.gz ZYNOKKOOEPSCFB-HUUCEWRRSA-N 1 2 391.538 -0.334 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000664009936 1073877710 /nfs/dbraw/zinc/87/77/10/1073877710.db2.gz ZYNOKKOOEPSCFB-LSDHHAIUSA-N 1 2 391.538 -0.334 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664025477 1073880688 /nfs/dbraw/zinc/88/06/88/1073880688.db2.gz NJERRGAUBHVJBJ-AWEZNQCLSA-N 1 2 399.521 -0.939 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664025479 1073881465 /nfs/dbraw/zinc/88/14/65/1073881465.db2.gz NJERRGAUBHVJBJ-CQSZACIVSA-N 1 2 399.521 -0.939 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000664025497 1073880961 /nfs/dbraw/zinc/88/09/61/1073880961.db2.gz NNKLJHXKBISTEW-HNNXBMFYSA-N 1 2 390.554 -0.808 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000664025502 1073881233 /nfs/dbraw/zinc/88/12/33/1073881233.db2.gz NNKLJHXKBISTEW-OAHLLOKOSA-N 1 2 390.554 -0.808 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](C)CO1 ZINC000664030735 530163356 /nfs/dbraw/zinc/16/33/56/530163356.db2.gz PSLBCXZBVHXLPM-KBPBESRZSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](C)CO1 ZINC000664030735 530163354 /nfs/dbraw/zinc/16/33/54/530163354.db2.gz PSLBCXZBVHXLPM-KBPBESRZSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000664030736 530163457 /nfs/dbraw/zinc/16/34/57/530163457.db2.gz PSLBCXZBVHXLPM-KGLIPLIRSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000664030736 530163455 /nfs/dbraw/zinc/16/34/55/530163455.db2.gz PSLBCXZBVHXLPM-KGLIPLIRSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](C)CO1 ZINC000664030737 530163325 /nfs/dbraw/zinc/16/33/25/530163325.db2.gz PSLBCXZBVHXLPM-UONOGXRCSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)[C@@H](C)CO1 ZINC000664030737 530163323 /nfs/dbraw/zinc/16/33/23/530163323.db2.gz PSLBCXZBVHXLPM-UONOGXRCSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C)CO1 ZINC000664030738 530163363 /nfs/dbraw/zinc/16/33/63/530163363.db2.gz PSLBCXZBVHXLPM-ZIAGYGMSSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C)CO1 ZINC000664030738 530163361 /nfs/dbraw/zinc/16/33/61/530163361.db2.gz PSLBCXZBVHXLPM-ZIAGYGMSSA-N 1 2 394.563 -0.227 20 0 GBADLO C[C@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)S(N)(=O)=O ZINC000664084808 1073918143 /nfs/dbraw/zinc/91/81/43/1073918143.db2.gz DQWUAUZCVLWBBK-GDBMZVCRSA-N 1 2 384.502 -0.094 20 0 GBADLO C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)S(N)(=O)=O ZINC000664084809 1073918479 /nfs/dbraw/zinc/91/84/79/1073918479.db2.gz DQWUAUZCVLWBBK-GOEBONIOSA-N 1 2 384.502 -0.094 20 0 GBADLO C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)S(N)(=O)=O ZINC000664084810 1073918369 /nfs/dbraw/zinc/91/83/69/1073918369.db2.gz DQWUAUZCVLWBBK-HOCLYGCPSA-N 1 2 384.502 -0.094 20 0 GBADLO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)S(N)(=O)=O ZINC000664084811 1073918319 /nfs/dbraw/zinc/91/83/19/1073918319.db2.gz DQWUAUZCVLWBBK-ZBFHGGJFSA-N 1 2 384.502 -0.094 20 0 GBADLO C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)CS1(=O)=O ZINC000664142414 1073925111 /nfs/dbraw/zinc/92/51/11/1073925111.db2.gz GWQAPRKGHNHCRV-BZUAXINKSA-N 1 2 388.534 -0.342 20 0 GBADLO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)CS1(=O)=O ZINC000664142416 1073925447 /nfs/dbraw/zinc/92/54/47/1073925447.db2.gz GWQAPRKGHNHCRV-OAGGEKHMSA-N 1 2 388.534 -0.342 20 0 GBADLO C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)CS1(=O)=O ZINC000664142418 1073925424 /nfs/dbraw/zinc/92/54/24/1073925424.db2.gz GWQAPRKGHNHCRV-OWCLPIDISA-N 1 2 388.534 -0.342 20 0 GBADLO C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)CS1(=O)=O ZINC000664142420 1073925391 /nfs/dbraw/zinc/92/53/91/1073925391.db2.gz GWQAPRKGHNHCRV-PMPSAXMXSA-N 1 2 388.534 -0.342 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664178929 1073970544 /nfs/dbraw/zinc/97/05/44/1073970544.db2.gz NAMBUQRLIGFQAQ-CABCVRRESA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664178929 1073970539 /nfs/dbraw/zinc/97/05/39/1073970539.db2.gz NAMBUQRLIGFQAQ-CABCVRRESA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000664178930 1073970571 /nfs/dbraw/zinc/97/05/71/1073970571.db2.gz NAMBUQRLIGFQAQ-GJZGRUSLSA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000664178930 1073970560 /nfs/dbraw/zinc/97/05/60/1073970560.db2.gz NAMBUQRLIGFQAQ-GJZGRUSLSA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000664178931 1073970368 /nfs/dbraw/zinc/97/03/68/1073970368.db2.gz NAMBUQRLIGFQAQ-HUUCEWRRSA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000664178931 1073970363 /nfs/dbraw/zinc/97/03/63/1073970363.db2.gz NAMBUQRLIGFQAQ-HUUCEWRRSA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664178933 1073970809 /nfs/dbraw/zinc/97/08/09/1073970809.db2.gz NAMBUQRLIGFQAQ-LSDHHAIUSA-N 1 2 383.493 -0.524 20 0 GBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664178933 1073970804 /nfs/dbraw/zinc/97/08/04/1073970804.db2.gz NAMBUQRLIGFQAQ-LSDHHAIUSA-N 1 2 383.493 -0.524 20 0 GBADLO Cc1cc(N2CC[C@H](NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000664247323 1072281391 /nfs/dbraw/zinc/28/13/91/1072281391.db2.gz JYGRKXVTHZFVPK-CABCVRRESA-N 1 2 376.461 -0.050 20 0 GBADLO Cc1cc(N2CC[C@H](NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000664247324 1072281060 /nfs/dbraw/zinc/28/10/60/1072281060.db2.gz JYGRKXVTHZFVPK-GJZGRUSLSA-N 1 2 376.461 -0.050 20 0 GBADLO Cc1cc(N2CC[C@@H](NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000664247325 1072280952 /nfs/dbraw/zinc/28/09/52/1072280952.db2.gz JYGRKXVTHZFVPK-HUUCEWRRSA-N 1 2 376.461 -0.050 20 0 GBADLO Cc1cc(N2CC[C@@H](NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000664247326 1072281244 /nfs/dbraw/zinc/28/12/44/1072281244.db2.gz JYGRKXVTHZFVPK-LSDHHAIUSA-N 1 2 376.461 -0.050 20 0 GBADLO Cn1ncnc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000664247781 1072280463 /nfs/dbraw/zinc/28/04/63/1072280463.db2.gz HQQYYCXUMBCVPW-UHFFFAOYSA-N 1 2 379.446 -0.908 20 0 GBADLO COCc1nc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n(C)n1 ZINC000664249343 1072283226 /nfs/dbraw/zinc/28/32/26/1072283226.db2.gz IRWPMNUDIBBJCI-UHFFFAOYSA-N 1 2 387.444 -0.175 20 0 GBADLO CNc1nc(N2CCC[C@@](CO)(OC)C2)[nH+]c(N2CCC[C@@](CO)(OC)C2)n1 ZINC000664255769 1072294727 /nfs/dbraw/zinc/29/47/27/1072294727.db2.gz JALAQWYTGPBFRL-QZTJIDSGSA-N 1 2 396.492 -0.709 20 0 GBADLO CNc1nc(N2CCC[C@](CO)(OC)C2)[nH+]c(N2CCC[C@](CO)(OC)C2)n1 ZINC000664255771 1072294210 /nfs/dbraw/zinc/29/42/10/1072294210.db2.gz JALAQWYTGPBFRL-ROUUACIJSA-N 1 2 396.492 -0.709 20 0 GBADLO CNc1nc(N2CC[C@H](O)C(F)(F)C2)[nH+]c(N2CC[C@H](O)C(F)(F)C2)n1 ZINC000664259758 1072305913 /nfs/dbraw/zinc/30/59/13/1072305913.db2.gz WDWWDSKWXQUFRB-IUCAKERBSA-N 1 2 380.346 -0.252 20 0 GBADLO CNc1nc(N2CC[C@@H](O)C(F)(F)C2)[nH+]c(N2CC[C@@H](O)C(F)(F)C2)n1 ZINC000664259759 1072305931 /nfs/dbraw/zinc/30/59/31/1072305931.db2.gz WDWWDSKWXQUFRB-RKDXNWHRSA-N 1 2 380.346 -0.252 20 0 GBADLO CNS(=O)(=O)N1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000664291189 1072417248 /nfs/dbraw/zinc/41/72/48/1072417248.db2.gz UFIGDAMHWZGHFU-UHFFFAOYSA-N 1 2 380.474 -0.023 20 0 GBADLO C[C@H](O)[C@H]1CCN(c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)[nH+]cn2)C1 ZINC000664328045 1072473871 /nfs/dbraw/zinc/47/38/71/1072473871.db2.gz PRTJWPMLRDCGEH-KBPBESRZSA-N 1 2 384.506 -0.388 20 0 GBADLO C[C@H](O)[C@H]1CCN(c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)nc[nH+]2)C1 ZINC000664328045 1072473862 /nfs/dbraw/zinc/47/38/62/1072473862.db2.gz PRTJWPMLRDCGEH-KBPBESRZSA-N 1 2 384.506 -0.388 20 0 GBADLO C[C@@H](O)[C@H]1CCN(c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)[nH+]cn2)C1 ZINC000664328046 1072473954 /nfs/dbraw/zinc/47/39/54/1072473954.db2.gz PRTJWPMLRDCGEH-KGLIPLIRSA-N 1 2 384.506 -0.388 20 0 GBADLO C[C@@H](O)[C@H]1CCN(c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)nc[nH+]2)C1 ZINC000664328046 1072473948 /nfs/dbraw/zinc/47/39/48/1072473948.db2.gz PRTJWPMLRDCGEH-KGLIPLIRSA-N 1 2 384.506 -0.388 20 0 GBADLO C[C@H](O)[C@@H]1CCN(c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)[nH+]cn2)C1 ZINC000664328047 1072474029 /nfs/dbraw/zinc/47/40/29/1072474029.db2.gz PRTJWPMLRDCGEH-UONOGXRCSA-N 1 2 384.506 -0.388 20 0 GBADLO C[C@H](O)[C@@H]1CCN(c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)nc[nH+]2)C1 ZINC000664328047 1072474025 /nfs/dbraw/zinc/47/40/25/1072474025.db2.gz PRTJWPMLRDCGEH-UONOGXRCSA-N 1 2 384.506 -0.388 20 0 GBADLO C[C@@H](O)[C@@H]1CCN(c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)[nH+]cn2)C1 ZINC000664328048 1072474111 /nfs/dbraw/zinc/47/41/11/1072474111.db2.gz PRTJWPMLRDCGEH-ZIAGYGMSSA-N 1 2 384.506 -0.388 20 0 GBADLO C[C@@H](O)[C@@H]1CCN(c2cc(N3CCN(S(=O)(=O)N(C)C)CC3)nc[nH+]2)C1 ZINC000664328048 1072474107 /nfs/dbraw/zinc/47/41/07/1072474107.db2.gz PRTJWPMLRDCGEH-ZIAGYGMSSA-N 1 2 384.506 -0.388 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@H](C)CO1 ZINC000664332393 1072483730 /nfs/dbraw/zinc/48/37/30/1072483730.db2.gz FFIRKVHSXWKTOX-CHWSQXEVSA-N 1 2 389.478 -0.498 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@H](C)CO1 ZINC000664332393 1072483725 /nfs/dbraw/zinc/48/37/25/1072483725.db2.gz FFIRKVHSXWKTOX-CHWSQXEVSA-N 1 2 389.478 -0.498 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000664332395 1072483577 /nfs/dbraw/zinc/48/35/77/1072483577.db2.gz FFIRKVHSXWKTOX-OLZOCXBDSA-N 1 2 389.478 -0.498 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000664332395 1072483575 /nfs/dbraw/zinc/48/35/75/1072483575.db2.gz FFIRKVHSXWKTOX-OLZOCXBDSA-N 1 2 389.478 -0.498 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@@H](C)CO1 ZINC000664332397 1072483525 /nfs/dbraw/zinc/48/35/25/1072483525.db2.gz FFIRKVHSXWKTOX-QWHCGFSZSA-N 1 2 389.478 -0.498 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@@H](C)CO1 ZINC000664332397 1072483522 /nfs/dbraw/zinc/48/35/22/1072483522.db2.gz FFIRKVHSXWKTOX-QWHCGFSZSA-N 1 2 389.478 -0.498 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@@H](C)CO1 ZINC000664332399 1072483463 /nfs/dbraw/zinc/48/34/63/1072483463.db2.gz FFIRKVHSXWKTOX-STQMWFEESA-N 1 2 389.478 -0.498 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)[C@@H](C)CO1 ZINC000664332399 1072483457 /nfs/dbraw/zinc/48/34/57/1072483457.db2.gz FFIRKVHSXWKTOX-STQMWFEESA-N 1 2 389.478 -0.498 20 0 GBADLO COCCNc1nc(N2CC[C@@]3(O)C[C@H]3C2)[nH+]c(N2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000664422221 1072627096 /nfs/dbraw/zinc/62/70/96/1072627096.db2.gz JOTQNODYHLTTTL-RPLLJCPNSA-N 1 2 376.461 -0.726 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)nc2OC)CC1 ZINC000664456802 1072651683 /nfs/dbraw/zinc/65/16/83/1072651683.db2.gz QYPPWICTPWOCAH-UHFFFAOYSA-N 1 2 396.444 -0.157 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc(N4CCN(C)C(=O)C4)[nH+]cn3)C[C@H]21 ZINC000664492140 1072701564 /nfs/dbraw/zinc/70/15/64/1072701564.db2.gz LGTBSZYIICMCSK-XQQFMLRXSA-N 1 2 381.458 -0.997 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc(N4CC[C@H]([C@@H](C)O)C4)[nH+]cn3)C[C@H]21 ZINC000664493045 1072700559 /nfs/dbraw/zinc/70/05/59/1072700559.db2.gz VQBDFRSQUVZKMU-FQKPHLNHSA-N 1 2 382.486 -0.068 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc(N4CC[C@H]([C@H](C)O)C4)[nH+]cn3)C[C@H]21 ZINC000664493048 1072700261 /nfs/dbraw/zinc/70/02/61/1072700261.db2.gz VQBDFRSQUVZKMU-LXFSFDBISA-N 1 2 382.486 -0.068 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc(N4CC[C@@H]([C@@H](C)O)C4)[nH+]cn3)C[C@H]21 ZINC000664493050 1072700418 /nfs/dbraw/zinc/70/04/18/1072700418.db2.gz VQBDFRSQUVZKMU-QMIVOQANSA-N 1 2 382.486 -0.068 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc(N4CC[C@@H]([C@H](C)O)C4)[nH+]cn3)C[C@H]21 ZINC000664493052 1072700630 /nfs/dbraw/zinc/70/06/30/1072700630.db2.gz VQBDFRSQUVZKMU-ZQNQSHIBSA-N 1 2 382.486 -0.068 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)C[C@H]21 ZINC000664494916 1072707179 /nfs/dbraw/zinc/70/71/79/1072707179.db2.gz YGCJWQKINMLMGV-BARDWOONSA-N 1 2 382.486 -0.067 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C[C@H]21 ZINC000664494917 1072707262 /nfs/dbraw/zinc/70/72/62/1072707262.db2.gz YGCJWQKINMLMGV-XQLPTFJDSA-N 1 2 382.486 -0.067 20 0 GBADLO O=C(NCCNS(=O)(=O)c1cccnc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664498859 1072715336 /nfs/dbraw/zinc/71/53/36/1072715336.db2.gz QDYSFWMAZKTYSQ-AWEZNQCLSA-N 1 2 383.474 -0.524 20 0 GBADLO O=C(NCCNS(=O)(=O)c1cccnc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000664498860 1072715278 /nfs/dbraw/zinc/71/52/78/1072715278.db2.gz QDYSFWMAZKTYSQ-CQSZACIVSA-N 1 2 383.474 -0.524 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)[C@@H](C)CO1 ZINC000664498941 1072715211 /nfs/dbraw/zinc/71/52/11/1072715211.db2.gz SJJCKHUZODIFLE-KBPBESRZSA-N 1 2 385.490 -0.232 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)[C@@H](C)CO1 ZINC000664498941 1072715207 /nfs/dbraw/zinc/71/52/07/1072715207.db2.gz SJJCKHUZODIFLE-KBPBESRZSA-N 1 2 385.490 -0.232 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000664498942 1072715297 /nfs/dbraw/zinc/71/52/97/1072715297.db2.gz SJJCKHUZODIFLE-KGLIPLIRSA-N 1 2 385.490 -0.232 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000664498942 1072715290 /nfs/dbraw/zinc/71/52/90/1072715290.db2.gz SJJCKHUZODIFLE-KGLIPLIRSA-N 1 2 385.490 -0.232 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)[C@@H](C)CO1 ZINC000664498943 1072715520 /nfs/dbraw/zinc/71/55/20/1072715520.db2.gz SJJCKHUZODIFLE-UONOGXRCSA-N 1 2 385.490 -0.232 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)[C@@H](C)CO1 ZINC000664498943 1072715508 /nfs/dbraw/zinc/71/55/08/1072715508.db2.gz SJJCKHUZODIFLE-UONOGXRCSA-N 1 2 385.490 -0.232 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)[C@H](C)CO1 ZINC000664498944 1072715408 /nfs/dbraw/zinc/71/54/08/1072715408.db2.gz SJJCKHUZODIFLE-ZIAGYGMSSA-N 1 2 385.490 -0.232 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)c2cccnc2)[C@H](C)CO1 ZINC000664498944 1072715402 /nfs/dbraw/zinc/71/54/02/1072715402.db2.gz SJJCKHUZODIFLE-ZIAGYGMSSA-N 1 2 385.490 -0.232 20 0 GBADLO COCCNc1nc(N2CCC3(COC3)C2)[nH+]c(N2CCC3(COC3)C2)n1 ZINC000664570308 1072752176 /nfs/dbraw/zinc/75/21/76/1072752176.db2.gz RTQSQQZRPMPSGS-UHFFFAOYSA-N 1 2 376.461 -0.195 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664617409 1072793395 /nfs/dbraw/zinc/79/33/95/1072793395.db2.gz XHFYHIJSRDPKIS-JTQLQIEISA-N 1 2 393.366 -0.471 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664617410 1072792953 /nfs/dbraw/zinc/79/29/53/1072792953.db2.gz XHFYHIJSRDPKIS-SNVBAGLBSA-N 1 2 393.366 -0.471 20 0 GBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664713957 1072908546 /nfs/dbraw/zinc/90/85/46/1072908546.db2.gz FBUJMLLYFDBSHV-GFCCVEGCSA-N 1 2 379.446 -0.363 20 0 GBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664713958 1072908217 /nfs/dbraw/zinc/90/82/17/1072908217.db2.gz FBUJMLLYFDBSHV-LBPRGKRZSA-N 1 2 379.446 -0.363 20 0 GBADLO CCOC1CC(CNC(=O)N2CCN3C(=O)N=NC3C2)([NH+]2CCOCC2)C1 ZINC000664765463 1072965312 /nfs/dbraw/zinc/96/53/12/1072965312.db2.gz KLVDLCIHNAQIMD-UHFFFAOYSA-N 1 2 380.449 -0.221 20 0 GBADLO CCS(=O)(=O)C1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000664883032 1073078415 /nfs/dbraw/zinc/07/84/15/1073078415.db2.gz AXKJDZLQGBTCER-AGUYFDCRSA-N 1 2 386.518 -0.102 20 0 GBADLO CCS(=O)(=O)C1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000664883032 1073078406 /nfs/dbraw/zinc/07/84/06/1073078406.db2.gz AXKJDZLQGBTCER-AGUYFDCRSA-N 1 2 386.518 -0.102 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000664899666 1073078993 /nfs/dbraw/zinc/07/89/93/1073078993.db2.gz YXBKKKSXISRPKD-QLFBSQMISA-N 1 2 391.538 -0.334 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000664899666 1073078985 /nfs/dbraw/zinc/07/89/85/1073078985.db2.gz YXBKKKSXISRPKD-QLFBSQMISA-N 1 2 391.538 -0.334 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)[C@H](C)CO1 ZINC000664899668 1073079296 /nfs/dbraw/zinc/07/92/96/1073079296.db2.gz YXBKKKSXISRPKD-RBSFLKMASA-N 1 2 391.538 -0.334 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)[C@H](C)CO1 ZINC000664899668 1073079291 /nfs/dbraw/zinc/07/92/91/1073079291.db2.gz YXBKKKSXISRPKD-RBSFLKMASA-N 1 2 391.538 -0.334 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)[C@@H](C)CO1 ZINC000664899670 1073078849 /nfs/dbraw/zinc/07/88/49/1073078849.db2.gz YXBKKKSXISRPKD-RRFJBIMHSA-N 1 2 391.538 -0.334 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)[C@@H](C)CO1 ZINC000664899670 1073078842 /nfs/dbraw/zinc/07/88/42/1073078842.db2.gz YXBKKKSXISRPKD-RRFJBIMHSA-N 1 2 391.538 -0.334 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)[C@@H](C)CO1 ZINC000664899672 1073078877 /nfs/dbraw/zinc/07/88/77/1073078877.db2.gz YXBKKKSXISRPKD-SOUVJXGZSA-N 1 2 391.538 -0.334 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)[C@@H](C)CO1 ZINC000664899672 1073078870 /nfs/dbraw/zinc/07/88/70/1073078870.db2.gz YXBKKKSXISRPKD-SOUVJXGZSA-N 1 2 391.538 -0.334 20 0 GBADLO COc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1S(N)(=O)=O ZINC000664913177 1073078931 /nfs/dbraw/zinc/07/89/31/1073078931.db2.gz QQTVJGDGHLVMGV-AWEZNQCLSA-N 1 2 398.485 -0.041 20 0 GBADLO COc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1S(N)(=O)=O ZINC000664913179 1073078908 /nfs/dbraw/zinc/07/89/08/1073078908.db2.gz QQTVJGDGHLVMGV-CQSZACIVSA-N 1 2 398.485 -0.041 20 0 GBADLO CN(C)S(=O)(=O)NCCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665005102 530166326 /nfs/dbraw/zinc/16/63/26/530166326.db2.gz FXPLKYISJMNGHN-LLVKDONJSA-N 1 2 376.483 -0.825 20 0 GBADLO CN(C)S(=O)(=O)NCCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665005103 530166548 /nfs/dbraw/zinc/16/65/48/530166548.db2.gz FXPLKYISJMNGHN-NSHDSACASA-N 1 2 376.483 -0.825 20 0 GBADLO CN(C)S(=O)(=O)NCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000665007010 530166273 /nfs/dbraw/zinc/16/62/73/530166273.db2.gz YTOGMODYNLMUAE-UHFFFAOYSA-N 1 2 377.511 -0.864 20 0 GBADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC1 ZINC000665015481 1073160410 /nfs/dbraw/zinc/16/04/10/1073160410.db2.gz ZNWHYMNFFMDQGN-AWEZNQCLSA-N 1 2 384.506 -0.134 20 0 GBADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC1 ZINC000665015482 1073160729 /nfs/dbraw/zinc/16/07/29/1073160729.db2.gz ZNWHYMNFFMDQGN-CQSZACIVSA-N 1 2 384.506 -0.134 20 0 GBADLO CN(C)S(=O)(=O)NCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000665016741 530167599 /nfs/dbraw/zinc/16/75/99/530167599.db2.gz CQJSMGVGZRHHHM-UHFFFAOYSA-N 1 2 375.520 -0.029 20 0 GBADLO CN(C)S(=O)(=O)NCCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000665017741 1073161464 /nfs/dbraw/zinc/16/14/64/1073161464.db2.gz JTWSWAWUFPGYPU-UHFFFAOYSA-N 1 2 399.517 -0.211 20 0 GBADLO CN(C)S(=O)(=O)NCCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000665017913 530167847 /nfs/dbraw/zinc/16/78/47/530167847.db2.gz FKNUFUFBTPKTTR-UHFFFAOYSA-N 1 2 390.535 -0.244 20 0 GBADLO CN(C)S(=O)(=O)NCCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000665017913 530167845 /nfs/dbraw/zinc/16/78/45/530167845.db2.gz FKNUFUFBTPKTTR-UHFFFAOYSA-N 1 2 390.535 -0.244 20 0 GBADLO COc1ccccc1C[NH+]1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC1 ZINC000665018134 1073162908 /nfs/dbraw/zinc/16/29/08/1073162908.db2.gz IZHQFRFZMBCIRT-UHFFFAOYSA-N 1 2 399.517 -0.082 20 0 GBADLO CN(C)S(=O)(=O)NCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000665018844 530167786 /nfs/dbraw/zinc/16/77/86/530167786.db2.gz XNMUGIIMFQGVOA-UHFFFAOYSA-N 1 2 375.520 -0.029 20 0 GBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000665035416 1073169602 /nfs/dbraw/zinc/16/96/02/1073169602.db2.gz SXNOUSCLNYQJEA-CJNGLKHVSA-N 1 2 399.469 -0.993 20 0 GBADLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000665035416 1073169598 /nfs/dbraw/zinc/16/95/98/1073169598.db2.gz SXNOUSCLNYQJEA-CJNGLKHVSA-N 1 2 399.469 -0.993 20 0 GBADLO Cc1cc(N2CCN(C(=O)CN3C[C@H](O)C[C@H]3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000665036974 1073169676 /nfs/dbraw/zinc/16/96/76/1073169676.db2.gz BYTGNNQFRQWPBU-CABCVRRESA-N 1 2 390.488 -0.522 20 0 GBADLO NC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000665037188 1073169540 /nfs/dbraw/zinc/16/95/40/1073169540.db2.gz JESHDUKOMNBDSJ-SJORKVTESA-N 1 2 376.457 -0.945 20 0 GBADLO NC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000665039328 1073169578 /nfs/dbraw/zinc/16/95/78/1073169578.db2.gz NBYUQAPUEZJJCO-SJORKVTESA-N 1 2 388.468 -0.814 20 0 GBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@H](O)C[C@H]3C(N)=O)CC2)cc1 ZINC000665047066 1073170821 /nfs/dbraw/zinc/17/08/21/1073170821.db2.gz ZZEXKARRRVLARU-WBVHZDCISA-N 1 2 376.457 -0.740 20 0 GBADLO NS(=O)(=O)CCOCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000665100889 530167843 /nfs/dbraw/zinc/16/78/43/530167843.db2.gz FXEOJYFCPJYUIM-UHFFFAOYSA-N 1 2 376.504 -0.120 20 0 GBADLO NS(=O)(=O)CCOCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000665100910 530167835 /nfs/dbraw/zinc/16/78/35/530167835.db2.gz GMHBACRHOOOFDB-UHFFFAOYSA-N 1 2 376.504 -0.120 20 0 GBADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 ZINC000665102683 1073177258 /nfs/dbraw/zinc/17/72/58/1073177258.db2.gz VFIXUQUNENPISS-AWEZNQCLSA-N 1 2 385.490 -0.225 20 0 GBADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 ZINC000665102684 1073177307 /nfs/dbraw/zinc/17/73/07/1073177307.db2.gz VFIXUQUNENPISS-CQSZACIVSA-N 1 2 385.490 -0.225 20 0 GBADLO NS(=O)(=O)CCOCCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000665103042 530167764 /nfs/dbraw/zinc/16/77/64/530167764.db2.gz HIDWKQJZPMWHFG-UHFFFAOYSA-N 1 2 391.519 -0.335 20 0 GBADLO NS(=O)(=O)CCOCCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000665103042 530167762 /nfs/dbraw/zinc/16/77/62/530167762.db2.gz HIDWKQJZPMWHFG-UHFFFAOYSA-N 1 2 391.519 -0.335 20 0 GBADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000665155857 530168681 /nfs/dbraw/zinc/16/86/81/530168681.db2.gz ZRFITDURUUYGLM-UHFFFAOYSA-N 1 2 376.523 -0.137 20 0 GBADLO Cn1c(=O)c2cc(NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cnc2n(C)c1=O ZINC000665566873 1073466404 /nfs/dbraw/zinc/46/64/04/1073466404.db2.gz AHICJLHNRYFKCJ-CYBMUJFWSA-N 1 2 388.428 -0.429 20 0 GBADLO Cn1c(=O)c2cc(NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cnc2n(C)c1=O ZINC000665566874 1073466234 /nfs/dbraw/zinc/46/62/34/1073466234.db2.gz AHICJLHNRYFKCJ-ZDUSSCGKSA-N 1 2 388.428 -0.429 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000665567974 1073467381 /nfs/dbraw/zinc/46/73/81/1073467381.db2.gz ZLOCKJHRYUZIQV-NEPJUHHUSA-N 1 2 390.444 -0.137 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000665567974 1073467375 /nfs/dbraw/zinc/46/73/75/1073467375.db2.gz ZLOCKJHRYUZIQV-NEPJUHHUSA-N 1 2 390.444 -0.137 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H](C)CO1 ZINC000665567975 1073467006 /nfs/dbraw/zinc/46/70/06/1073467006.db2.gz ZLOCKJHRYUZIQV-NWDGAFQWSA-N 1 2 390.444 -0.137 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H](C)CO1 ZINC000665567975 1073467000 /nfs/dbraw/zinc/46/70/00/1073467000.db2.gz ZLOCKJHRYUZIQV-NWDGAFQWSA-N 1 2 390.444 -0.137 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H](C)CO1 ZINC000665567976 1073467401 /nfs/dbraw/zinc/46/74/01/1073467401.db2.gz ZLOCKJHRYUZIQV-RYUDHWBXSA-N 1 2 390.444 -0.137 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H](C)CO1 ZINC000665567976 1073467395 /nfs/dbraw/zinc/46/73/95/1073467395.db2.gz ZLOCKJHRYUZIQV-RYUDHWBXSA-N 1 2 390.444 -0.137 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H](C)CO1 ZINC000665567977 1073467577 /nfs/dbraw/zinc/46/75/77/1073467577.db2.gz ZLOCKJHRYUZIQV-VXGBXAGGSA-N 1 2 390.444 -0.137 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H](C)CO1 ZINC000665567977 1073467572 /nfs/dbraw/zinc/46/75/72/1073467572.db2.gz ZLOCKJHRYUZIQV-VXGBXAGGSA-N 1 2 390.444 -0.137 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000665616266 530175103 /nfs/dbraw/zinc/17/51/03/530175103.db2.gz OICSGRBDEVQTHX-HNNXBMFYSA-N 1 2 377.507 -0.394 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000665616267 530175049 /nfs/dbraw/zinc/17/50/49/530175049.db2.gz OICSGRBDEVQTHX-OAHLLOKOSA-N 1 2 377.507 -0.394 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000665630917 1073495948 /nfs/dbraw/zinc/49/59/48/1073495948.db2.gz QARHNULAQCDHNH-CVEARBPZSA-N 1 2 376.457 -0.091 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000665630918 1073495741 /nfs/dbraw/zinc/49/57/41/1073495741.db2.gz QARHNULAQCDHNH-HOTGVXAUSA-N 1 2 376.457 -0.091 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000665630919 1073495958 /nfs/dbraw/zinc/49/59/58/1073495958.db2.gz QARHNULAQCDHNH-HZPDHXFCSA-N 1 2 376.457 -0.091 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000665630920 1073496116 /nfs/dbraw/zinc/49/61/16/1073496116.db2.gz QARHNULAQCDHNH-JKSUJKDBSA-N 1 2 376.457 -0.091 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000665634494 1073497038 /nfs/dbraw/zinc/49/70/38/1073497038.db2.gz AXHHOCPNKFQWIQ-ZIAGYGMSSA-N 1 2 375.429 -0.947 20 0 GBADLO CN1CCO[C@@H](C(=O)NCC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCCCC2)C1 ZINC000665670652 1073502276 /nfs/dbraw/zinc/50/22/76/1073502276.db2.gz ZJCHXXUGSTZZSK-IAGOWNOFSA-N 1 2 396.532 -0.170 20 0 GBADLO CN1CCO[C@@H](C(=O)NCC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCCCC2)C1 ZINC000665670652 1073502266 /nfs/dbraw/zinc/50/22/66/1073502266.db2.gz ZJCHXXUGSTZZSK-IAGOWNOFSA-N 1 2 396.532 -0.170 20 0 GBADLO CN1CCO[C@H](C(=O)NCC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCCCC2)C1 ZINC000665670653 1073502151 /nfs/dbraw/zinc/50/21/51/1073502151.db2.gz ZJCHXXUGSTZZSK-IRXDYDNUSA-N 1 2 396.532 -0.170 20 0 GBADLO CN1CCO[C@H](C(=O)NCC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCCCC2)C1 ZINC000665670653 1073502144 /nfs/dbraw/zinc/50/21/44/1073502144.db2.gz ZJCHXXUGSTZZSK-IRXDYDNUSA-N 1 2 396.532 -0.170 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3nc[nH+]c4c3OCCN4)CC2)C[C@H](C)O1 ZINC000665691216 1073506307 /nfs/dbraw/zinc/50/63/07/1073506307.db2.gz DMWPQWRXETYEEX-BETUJISGSA-N 1 2 398.489 -0.243 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(c3nc[nH+]c4c3OCCN4)CC2)C[C@@H](C)O1 ZINC000665691217 1073506279 /nfs/dbraw/zinc/50/62/79/1073506279.db2.gz DMWPQWRXETYEEX-CHWSQXEVSA-N 1 2 398.489 -0.243 20 0 GBADLO C[C@H]1CN(S(=O)(=O)N2CCN(c3nc[nH+]c4c3OCCN4)CC2)C[C@H](C)O1 ZINC000665691218 1073506329 /nfs/dbraw/zinc/50/63/29/1073506329.db2.gz DMWPQWRXETYEEX-STQMWFEESA-N 1 2 398.489 -0.243 20 0 GBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc[nH+]c4c3OCCN4)CC2)o1 ZINC000665692036 1073506530 /nfs/dbraw/zinc/50/65/30/1073506530.db2.gz YBOXUMPJDCGSRD-UHFFFAOYSA-N 1 2 394.413 -0.516 20 0 GBADLO C[C@@H](O)[C@H]1CCN(c2cc(NCCN3CCN(S(C)(=O)=O)CC3)nc[nH+]2)C1 ZINC000665694168 1073506092 /nfs/dbraw/zinc/50/60/92/1073506092.db2.gz HTULHGXANITBAQ-CABCVRRESA-N 1 2 398.533 -0.327 20 0 GBADLO C[C@H](O)[C@H]1CCN(c2cc(NCCN3CCN(S(C)(=O)=O)CC3)nc[nH+]2)C1 ZINC000665694169 1073506026 /nfs/dbraw/zinc/50/60/26/1073506026.db2.gz HTULHGXANITBAQ-GJZGRUSLSA-N 1 2 398.533 -0.327 20 0 GBADLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCN3CCN(S(C)(=O)=O)CC3)nc[nH+]2)C1 ZINC000665694170 1073506241 /nfs/dbraw/zinc/50/62/41/1073506241.db2.gz HTULHGXANITBAQ-HUUCEWRRSA-N 1 2 398.533 -0.327 20 0 GBADLO C[C@H](O)[C@@H]1CCN(c2cc(NCCN3CCN(S(C)(=O)=O)CC3)nc[nH+]2)C1 ZINC000665694171 1073506080 /nfs/dbraw/zinc/50/60/80/1073506080.db2.gz HTULHGXANITBAQ-LSDHHAIUSA-N 1 2 398.533 -0.327 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(c3nc[nH+]c4c3OCCN4)CC2)cn1C ZINC000665707450 1073508125 /nfs/dbraw/zinc/50/81/25/1073508125.db2.gz DRUGYSVVMCKPQE-UHFFFAOYSA-N 1 2 379.446 -0.166 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(C3CC3)C2=O)CC1 ZINC000665843122 1073527196 /nfs/dbraw/zinc/52/71/96/1073527196.db2.gz FIICHIGSGNCWCZ-UHFFFAOYSA-N 1 2 384.444 -0.088 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cc2nnn(C(C)(C)C)n2)CC1 ZINC000665843943 1073526746 /nfs/dbraw/zinc/52/67/46/1073526746.db2.gz CBDALIHQGRAIST-UHFFFAOYSA-N 1 2 384.448 -0.004 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000665844174 1073527352 /nfs/dbraw/zinc/52/73/52/1073527352.db2.gz JBLACBBKLORNTP-UHFFFAOYSA-N 1 2 398.431 -0.796 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000666004337 1073811236 /nfs/dbraw/zinc/81/12/36/1073811236.db2.gz ZJVYDIMBPSJTOX-ZIAGYGMSSA-N 1 2 383.474 -0.755 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000666094928 530135042 /nfs/dbraw/zinc/13/50/42/530135042.db2.gz KEKFUYFQVAJLIJ-QLFBSQMISA-N 1 2 375.491 -0.305 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000666094929 530135050 /nfs/dbraw/zinc/13/50/50/530135050.db2.gz KEKFUYFQVAJLIJ-RBSFLKMASA-N 1 2 375.491 -0.305 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000666094930 530135171 /nfs/dbraw/zinc/13/51/71/530135171.db2.gz KEKFUYFQVAJLIJ-RRFJBIMHSA-N 1 2 375.491 -0.305 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000666094931 530135081 /nfs/dbraw/zinc/13/50/81/530135081.db2.gz KEKFUYFQVAJLIJ-SOUVJXGZSA-N 1 2 375.491 -0.305 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000666097360 1073863690 /nfs/dbraw/zinc/86/36/90/1073863690.db2.gz NKUVSBSILPBNMZ-BRWVUGGUSA-N 1 2 397.497 -0.483 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000666097360 1073863682 /nfs/dbraw/zinc/86/36/82/1073863682.db2.gz NKUVSBSILPBNMZ-BRWVUGGUSA-N 1 2 397.497 -0.483 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000666097362 1073864166 /nfs/dbraw/zinc/86/41/66/1073864166.db2.gz NKUVSBSILPBNMZ-IKGGRYGDSA-N 1 2 397.497 -0.483 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000666097362 1073864160 /nfs/dbraw/zinc/86/41/60/1073864160.db2.gz NKUVSBSILPBNMZ-IKGGRYGDSA-N 1 2 397.497 -0.483 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000666097364 1073864219 /nfs/dbraw/zinc/86/42/19/1073864219.db2.gz NKUVSBSILPBNMZ-IXDOHACOSA-N 1 2 397.497 -0.483 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000666097364 1073864210 /nfs/dbraw/zinc/86/42/10/1073864210.db2.gz NKUVSBSILPBNMZ-IXDOHACOSA-N 1 2 397.497 -0.483 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000666097402 1073862552 /nfs/dbraw/zinc/86/25/52/1073862552.db2.gz NKUVSBSILPBNMZ-ZACQAIPSSA-N 1 2 397.497 -0.483 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000666097402 1073862548 /nfs/dbraw/zinc/86/25/48/1073862548.db2.gz NKUVSBSILPBNMZ-ZACQAIPSSA-N 1 2 397.497 -0.483 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000666099831 530135885 /nfs/dbraw/zinc/13/58/85/530135885.db2.gz GEUCPGQJZOKJCW-AEGPPILISA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000666099831 530135884 /nfs/dbraw/zinc/13/58/84/530135884.db2.gz GEUCPGQJZOKJCW-AEGPPILISA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000666099832 530135737 /nfs/dbraw/zinc/13/57/37/530135737.db2.gz GEUCPGQJZOKJCW-BPLDGKMQSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000666099832 530135733 /nfs/dbraw/zinc/13/57/33/530135733.db2.gz GEUCPGQJZOKJCW-BPLDGKMQSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000666099833 530135821 /nfs/dbraw/zinc/13/58/21/530135821.db2.gz GEUCPGQJZOKJCW-CFVMTHIKSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000666099833 530135818 /nfs/dbraw/zinc/13/58/18/530135818.db2.gz GEUCPGQJZOKJCW-CFVMTHIKSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000666099834 530135617 /nfs/dbraw/zinc/13/56/17/530135617.db2.gz GEUCPGQJZOKJCW-NWANDNLSSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000666099834 530135613 /nfs/dbraw/zinc/13/56/13/530135613.db2.gz GEUCPGQJZOKJCW-NWANDNLSSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000666099835 530135599 /nfs/dbraw/zinc/13/55/99/530135599.db2.gz GEUCPGQJZOKJCW-QEJZJMRPSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000666099835 530135597 /nfs/dbraw/zinc/13/55/97/530135597.db2.gz GEUCPGQJZOKJCW-QEJZJMRPSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000666099836 530135462 /nfs/dbraw/zinc/13/54/62/530135462.db2.gz GEUCPGQJZOKJCW-SNPRPXQTSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000666099836 530135458 /nfs/dbraw/zinc/13/54/58/530135458.db2.gz GEUCPGQJZOKJCW-SNPRPXQTSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000666099837 530135912 /nfs/dbraw/zinc/13/59/12/530135912.db2.gz GEUCPGQJZOKJCW-VHDGCEQUSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000666099837 530135910 /nfs/dbraw/zinc/13/59/10/530135910.db2.gz GEUCPGQJZOKJCW-VHDGCEQUSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000666099838 530135892 /nfs/dbraw/zinc/13/58/92/530135892.db2.gz GEUCPGQJZOKJCW-YUELXQCFSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000666099838 530135891 /nfs/dbraw/zinc/13/58/91/530135891.db2.gz GEUCPGQJZOKJCW-YUELXQCFSA-N 1 2 375.491 -0.307 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000666100235 530135888 /nfs/dbraw/zinc/13/58/88/530135888.db2.gz KFORWHLKLCDYAB-ILXRZTDVSA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000666100236 530135528 /nfs/dbraw/zinc/13/55/28/530135528.db2.gz KFORWHLKLCDYAB-KFWWJZLASA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000666100238 530135686 /nfs/dbraw/zinc/13/56/86/530135686.db2.gz KFORWHLKLCDYAB-KKUMJFAQSA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000666100242 530135907 /nfs/dbraw/zinc/13/59/07/530135907.db2.gz KFORWHLKLCDYAB-QLFBSQMISA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000666100243 530135624 /nfs/dbraw/zinc/13/56/24/530135624.db2.gz KFORWHLKLCDYAB-RBSFLKMASA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000666100245 530135676 /nfs/dbraw/zinc/13/56/76/530135676.db2.gz KFORWHLKLCDYAB-RRFJBIMHSA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000666100247 530135861 /nfs/dbraw/zinc/13/58/61/530135861.db2.gz KFORWHLKLCDYAB-SOUVJXGZSA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000666100251 530135646 /nfs/dbraw/zinc/13/56/46/530135646.db2.gz KFORWHLKLCDYAB-ZNMIVQPWSA-N 1 2 375.491 -0.448 20 0 GBADLO CCC[C@@H]1CN(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC[N@H+]1CCOC ZINC000666102377 530136207 /nfs/dbraw/zinc/13/62/07/530136207.db2.gz BHDQHDCIXXXDDD-ILXRZTDVSA-N 1 2 377.507 -0.059 20 0 GBADLO CCC[C@@H]1CN(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC[N@@H+]1CCOC ZINC000666102377 530136203 /nfs/dbraw/zinc/13/62/03/530136203.db2.gz BHDQHDCIXXXDDD-ILXRZTDVSA-N 1 2 377.507 -0.059 20 0 GBADLO CCC[C@@H]1CN(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC[N@H+]1CCOC ZINC000666102378 530136175 /nfs/dbraw/zinc/13/61/75/530136175.db2.gz BHDQHDCIXXXDDD-KFWWJZLASA-N 1 2 377.507 -0.059 20 0 GBADLO CCC[C@@H]1CN(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC[N@@H+]1CCOC ZINC000666102378 530136172 /nfs/dbraw/zinc/13/61/72/530136172.db2.gz BHDQHDCIXXXDDD-KFWWJZLASA-N 1 2 377.507 -0.059 20 0 GBADLO CCC[C@@H]1CN(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC[N@H+]1CCOC ZINC000666102379 530136516 /nfs/dbraw/zinc/13/65/16/530136516.db2.gz BHDQHDCIXXXDDD-QLFBSQMISA-N 1 2 377.507 -0.059 20 0 GBADLO CCC[C@@H]1CN(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC[N@@H+]1CCOC ZINC000666102379 530136513 /nfs/dbraw/zinc/13/65/13/530136513.db2.gz BHDQHDCIXXXDDD-QLFBSQMISA-N 1 2 377.507 -0.059 20 0 GBADLO CCC[C@@H]1CN(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC[N@H+]1CCOC ZINC000666102380 530136086 /nfs/dbraw/zinc/13/60/86/530136086.db2.gz BHDQHDCIXXXDDD-RBSFLKMASA-N 1 2 377.507 -0.059 20 0 GBADLO CCC[C@@H]1CN(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC[N@@H+]1CCOC ZINC000666102380 530136084 /nfs/dbraw/zinc/13/60/84/530136084.db2.gz BHDQHDCIXXXDDD-RBSFLKMASA-N 1 2 377.507 -0.059 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000666103645 1073865778 /nfs/dbraw/zinc/86/57/78/1073865778.db2.gz MSOYARVUFYMKJS-CAOSSQGBSA-N 1 2 388.534 -0.534 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000666103646 1073865868 /nfs/dbraw/zinc/86/58/68/1073865868.db2.gz MSOYARVUFYMKJS-FXUDXRNXSA-N 1 2 388.534 -0.534 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000666103647 1073866140 /nfs/dbraw/zinc/86/61/40/1073866140.db2.gz MSOYARVUFYMKJS-QKPAOTATSA-N 1 2 388.534 -0.534 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000666103648 1073866380 /nfs/dbraw/zinc/86/63/80/1073866380.db2.gz MSOYARVUFYMKJS-YHUYYLMFSA-N 1 2 388.534 -0.534 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000666108703 530137376 /nfs/dbraw/zinc/13/73/76/530137376.db2.gz RKVLXNPTDFKUEL-CABCVRRESA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000666108705 530137534 /nfs/dbraw/zinc/13/75/34/530137534.db2.gz RKVLXNPTDFKUEL-GJZGRUSLSA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000666108707 530137578 /nfs/dbraw/zinc/13/75/78/530137578.db2.gz RKVLXNPTDFKUEL-HUUCEWRRSA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000666108709 530137786 /nfs/dbraw/zinc/13/77/86/530137786.db2.gz RKVLXNPTDFKUEL-LSDHHAIUSA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000666124261 1073872737 /nfs/dbraw/zinc/87/27/37/1073872737.db2.gz DOIPIKXHYIFPIS-CHWSQXEVSA-N 1 2 387.462 -0.851 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000666124262 1073872584 /nfs/dbraw/zinc/87/25/84/1073872584.db2.gz DOIPIKXHYIFPIS-OLZOCXBDSA-N 1 2 387.462 -0.851 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000666124263 1073873527 /nfs/dbraw/zinc/87/35/27/1073873527.db2.gz DOIPIKXHYIFPIS-QWHCGFSZSA-N 1 2 387.462 -0.851 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000666124264 1073873027 /nfs/dbraw/zinc/87/30/27/1073873027.db2.gz DOIPIKXHYIFPIS-STQMWFEESA-N 1 2 387.462 -0.851 20 0 GBADLO O=C(NC[C@@]1(OCCO)CCOC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000666124373 1073871636 /nfs/dbraw/zinc/87/16/36/1073871636.db2.gz HLVCITUKINQWLK-KRWDZBQOSA-N 1 2 383.449 -0.495 20 0 GBADLO O=C(NC[C@]1(OCCO)CCOC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000666124374 1073872070 /nfs/dbraw/zinc/87/20/70/1073872070.db2.gz HLVCITUKINQWLK-QGZVFWFLSA-N 1 2 383.449 -0.495 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000666126443 1073872811 /nfs/dbraw/zinc/87/28/11/1073872811.db2.gz NYHRYPLIRVOWEH-CABCVRRESA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000666126443 1073872803 /nfs/dbraw/zinc/87/28/03/1073872803.db2.gz NYHRYPLIRVOWEH-CABCVRRESA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[C@@H](C)CO1 ZINC000666126444 1073872653 /nfs/dbraw/zinc/87/26/53/1073872653.db2.gz NYHRYPLIRVOWEH-GJZGRUSLSA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[C@@H](C)CO1 ZINC000666126444 1073872640 /nfs/dbraw/zinc/87/26/40/1073872640.db2.gz NYHRYPLIRVOWEH-GJZGRUSLSA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[C@H](C)CO1 ZINC000666126445 1073872568 /nfs/dbraw/zinc/87/25/68/1073872568.db2.gz NYHRYPLIRVOWEH-HUUCEWRRSA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[C@H](C)CO1 ZINC000666126445 1073872559 /nfs/dbraw/zinc/87/25/59/1073872559.db2.gz NYHRYPLIRVOWEH-HUUCEWRRSA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[C@@H](C)CO1 ZINC000666126446 1073872690 /nfs/dbraw/zinc/87/26/90/1073872690.db2.gz NYHRYPLIRVOWEH-LSDHHAIUSA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[C@@H](C)CO1 ZINC000666126446 1073872680 /nfs/dbraw/zinc/87/26/80/1073872680.db2.gz NYHRYPLIRVOWEH-LSDHHAIUSA-N 1 2 394.476 -0.027 20 0 GBADLO O=C(Cn1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)n1)N1CCOCC1 ZINC000666126822 1073872513 /nfs/dbraw/zinc/87/25/13/1073872513.db2.gz WEWMPHJVQLDKMD-HNNXBMFYSA-N 1 2 392.460 -0.320 20 0 GBADLO O=C(Cn1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)n1)N1CCOCC1 ZINC000666126823 1073872528 /nfs/dbraw/zinc/87/25/28/1073872528.db2.gz WEWMPHJVQLDKMD-OAHLLOKOSA-N 1 2 392.460 -0.320 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000666139848 1073883000 /nfs/dbraw/zinc/88/30/00/1073883000.db2.gz XEZKHOGQTSBNNA-UHFFFAOYSA-N 1 2 379.442 -0.253 20 0 GBADLO COc1cc2nc(C(=O)N3CC[NH+](CCO)CC3)c(=O)n(C)c2cc1OC ZINC000666190359 1073887372 /nfs/dbraw/zinc/88/73/72/1073887372.db2.gz KPUKBMRAVHCVMV-UHFFFAOYSA-N 1 2 376.413 -0.299 20 0 GBADLO Cn1cc(C(=O)N2CC[NH+](CCO)CC2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000666190405 1073887681 /nfs/dbraw/zinc/88/76/81/1073887681.db2.gz NCORPIKOKWJGGK-UHFFFAOYSA-N 1 2 397.435 -0.034 20 0 GBADLO CN(C)S(=O)(=O)NCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000666233195 1073894391 /nfs/dbraw/zinc/89/43/91/1073894391.db2.gz KOSZSGCPHGLECO-UHFFFAOYSA-N 1 2 383.474 -0.591 20 0 GBADLO O=C(NC[C@@]1(OCCO)CCOC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000666239943 1073894378 /nfs/dbraw/zinc/89/43/78/1073894378.db2.gz SPHLSPPVJXHWQN-KRWDZBQOSA-N 1 2 383.449 -0.495 20 0 GBADLO O=C(NC[C@]1(OCCO)CCOC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000666239944 1073894155 /nfs/dbraw/zinc/89/41/55/1073894155.db2.gz SPHLSPPVJXHWQN-QGZVFWFLSA-N 1 2 383.449 -0.495 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000666240142 1073894316 /nfs/dbraw/zinc/89/43/16/1073894316.db2.gz ZPHZMXYJVRVZHP-KBPBESRZSA-N 1 2 387.462 -0.851 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000666240143 1073894726 /nfs/dbraw/zinc/89/47/26/1073894726.db2.gz ZPHZMXYJVRVZHP-KGLIPLIRSA-N 1 2 387.462 -0.851 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000666240144 1073894490 /nfs/dbraw/zinc/89/44/90/1073894490.db2.gz ZPHZMXYJVRVZHP-UONOGXRCSA-N 1 2 387.462 -0.851 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000666240145 1073894448 /nfs/dbraw/zinc/89/44/48/1073894448.db2.gz ZPHZMXYJVRVZHP-ZIAGYGMSSA-N 1 2 387.462 -0.851 20 0 GBADLO O=C(Cn1cc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cn1)N1CCOCC1 ZINC000666240864 1073894066 /nfs/dbraw/zinc/89/40/66/1073894066.db2.gz DXFJLOWSLZDSIK-INIZCTEOSA-N 1 2 392.460 -0.320 20 0 GBADLO O=C(Cn1cc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cn1)N1CCOCC1 ZINC000666240865 1073894511 /nfs/dbraw/zinc/89/45/11/1073894511.db2.gz DXFJLOWSLZDSIK-MRXNPFEDSA-N 1 2 392.460 -0.320 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000666241674 1073895755 /nfs/dbraw/zinc/89/57/55/1073895755.db2.gz SUHNEOGUAYDCTN-CABCVRRESA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000666241674 1073895749 /nfs/dbraw/zinc/89/57/49/1073895749.db2.gz SUHNEOGUAYDCTN-CABCVRRESA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)[C@@H](C)CO1 ZINC000666241675 1073895676 /nfs/dbraw/zinc/89/56/76/1073895676.db2.gz SUHNEOGUAYDCTN-GJZGRUSLSA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)[C@@H](C)CO1 ZINC000666241675 1073895672 /nfs/dbraw/zinc/89/56/72/1073895672.db2.gz SUHNEOGUAYDCTN-GJZGRUSLSA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)[C@H](C)CO1 ZINC000666241676 1073895736 /nfs/dbraw/zinc/89/57/36/1073895736.db2.gz SUHNEOGUAYDCTN-HUUCEWRRSA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)[C@H](C)CO1 ZINC000666241676 1073895731 /nfs/dbraw/zinc/89/57/31/1073895731.db2.gz SUHNEOGUAYDCTN-HUUCEWRRSA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)[C@@H](C)CO1 ZINC000666241677 1073895625 /nfs/dbraw/zinc/89/56/25/1073895625.db2.gz SUHNEOGUAYDCTN-LSDHHAIUSA-N 1 2 394.476 -0.027 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)[C@@H](C)CO1 ZINC000666241677 1073895614 /nfs/dbraw/zinc/89/56/14/1073895614.db2.gz SUHNEOGUAYDCTN-LSDHHAIUSA-N 1 2 394.476 -0.027 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000666247887 1073896273 /nfs/dbraw/zinc/89/62/73/1073896273.db2.gz UKKBWZUXRBQGDP-HNNXBMFYSA-N 1 2 380.449 -0.416 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000666247889 1073896163 /nfs/dbraw/zinc/89/61/63/1073896163.db2.gz UKKBWZUXRBQGDP-OAHLLOKOSA-N 1 2 380.449 -0.416 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000666248169 1073896236 /nfs/dbraw/zinc/89/62/36/1073896236.db2.gz ZNYNIKHKPVRXEH-KBPBESRZSA-N 1 2 382.465 -0.124 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cn1 ZINC000666248169 1073896228 /nfs/dbraw/zinc/89/62/28/1073896228.db2.gz ZNYNIKHKPVRXEH-KBPBESRZSA-N 1 2 382.465 -0.124 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000666248170 1073896411 /nfs/dbraw/zinc/89/64/11/1073896411.db2.gz ZNYNIKHKPVRXEH-KGLIPLIRSA-N 1 2 382.465 -0.124 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cn1 ZINC000666248170 1073896405 /nfs/dbraw/zinc/89/64/05/1073896405.db2.gz ZNYNIKHKPVRXEH-KGLIPLIRSA-N 1 2 382.465 -0.124 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000666248171 1073896393 /nfs/dbraw/zinc/89/63/93/1073896393.db2.gz ZNYNIKHKPVRXEH-UONOGXRCSA-N 1 2 382.465 -0.124 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000666248171 1073896385 /nfs/dbraw/zinc/89/63/85/1073896385.db2.gz ZNYNIKHKPVRXEH-UONOGXRCSA-N 1 2 382.465 -0.124 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000666248172 1073896543 /nfs/dbraw/zinc/89/65/43/1073896543.db2.gz ZNYNIKHKPVRXEH-ZIAGYGMSSA-N 1 2 382.465 -0.124 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cn1 ZINC000666248172 1073896529 /nfs/dbraw/zinc/89/65/29/1073896529.db2.gz ZNYNIKHKPVRXEH-ZIAGYGMSSA-N 1 2 382.465 -0.124 20 0 GBADLO Cc1nnc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000666249320 530180000 /nfs/dbraw/zinc/18/00/00/530180000.db2.gz BNCPNVZWHWLSHN-UHFFFAOYSA-N 1 2 388.519 -0.975 20 0 GBADLO C[C@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1CCCO1 ZINC000666249502 1073896184 /nfs/dbraw/zinc/89/61/84/1073896184.db2.gz FHJTYFGLHBSIQF-CVEARBPZSA-N 1 2 388.534 -0.172 20 0 GBADLO C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1CCCO1 ZINC000666249503 1073896336 /nfs/dbraw/zinc/89/63/36/1073896336.db2.gz FHJTYFGLHBSIQF-HOTGVXAUSA-N 1 2 388.534 -0.172 20 0 GBADLO C[C@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000666249504 1073896313 /nfs/dbraw/zinc/89/63/13/1073896313.db2.gz FHJTYFGLHBSIQF-HZPDHXFCSA-N 1 2 388.534 -0.172 20 0 GBADLO C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000666249505 1073896198 /nfs/dbraw/zinc/89/61/98/1073896198.db2.gz FHJTYFGLHBSIQF-JKSUJKDBSA-N 1 2 388.534 -0.172 20 0 GBADLO CO[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000666249574 1073896459 /nfs/dbraw/zinc/89/64/59/1073896459.db2.gz HCMUTKXTVSJHLO-INIZCTEOSA-N 1 2 388.534 -0.172 20 0 GBADLO CO[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000666249575 1073896439 /nfs/dbraw/zinc/89/64/39/1073896439.db2.gz HCMUTKXTVSJHLO-MRXNPFEDSA-N 1 2 388.534 -0.172 20 0 GBADLO CCc1ccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000666249751 1073895776 /nfs/dbraw/zinc/89/57/76/1073895776.db2.gz JEQVENQXWZCBFK-UHFFFAOYSA-N 1 2 395.529 -0.177 20 0 GBADLO COCCCOCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000666249920 1073896645 /nfs/dbraw/zinc/89/66/45/1073896645.db2.gz LFYLTPQHLMUUHH-UHFFFAOYSA-N 1 2 392.522 -0.934 20 0 GBADLO CCCn1nccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000666249925 1073896749 /nfs/dbraw/zinc/89/67/49/1073896749.db2.gz LMJHDLQQKOOMKD-UHFFFAOYSA-N 1 2 384.506 -0.457 20 0 GBADLO Cc1ccn([C@@H](C)CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000666249929 1073896699 /nfs/dbraw/zinc/89/66/99/1073896699.db2.gz LSWPPBBUDUZXHE-INIZCTEOSA-N 1 2 398.533 -0.221 20 0 GBADLO Cc1ccn([C@H](C)CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000666249930 1073896296 /nfs/dbraw/zinc/89/62/96/1073896296.db2.gz LSWPPBBUDUZXHE-MRXNPFEDSA-N 1 2 398.533 -0.221 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000666250308 1073896568 /nfs/dbraw/zinc/89/65/68/1073896568.db2.gz RHXZDZNIKHDSMZ-HUUCEWRRSA-N 1 2 396.517 -0.840 20 0 GBADLO Cn1ncc(Cl)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000666250457 530270367 /nfs/dbraw/zinc/27/03/67/530270367.db2.gz UWEMWJDPZVOKGD-UHFFFAOYSA-N 1 2 390.897 -0.677 20 0 GBADLO CCc1c[nH]c(=O)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000666250691 1073896725 /nfs/dbraw/zinc/89/67/25/1073896725.db2.gz YSPCZLIJFDSKJM-UHFFFAOYSA-N 1 2 397.501 -0.400 20 0 GBADLO Cc1ccncc1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000666250702 1073896840 /nfs/dbraw/zinc/89/68/40/1073896840.db2.gz ZNEFPRWZWKKAGB-UHFFFAOYSA-N 1 2 381.502 -0.431 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)CC1 ZINC000666268508 1073898433 /nfs/dbraw/zinc/89/84/33/1073898433.db2.gz JKRVAGPZESUPTO-MRXNPFEDSA-N 1 2 388.534 -0.237 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)CC1 ZINC000666268508 1073898430 /nfs/dbraw/zinc/89/84/30/1073898430.db2.gz JKRVAGPZESUPTO-MRXNPFEDSA-N 1 2 388.534 -0.237 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000666268719 1073898351 /nfs/dbraw/zinc/89/83/51/1073898351.db2.gz OLZDUCMWDWTXQZ-UHFFFAOYSA-N 1 2 379.465 -0.761 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000666268719 1073898343 /nfs/dbraw/zinc/89/83/43/1073898343.db2.gz OLZDUCMWDWTXQZ-UHFFFAOYSA-N 1 2 379.465 -0.761 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC000666270375 1073900242 /nfs/dbraw/zinc/90/02/42/1073900242.db2.gz NYHCTNDIQIERMK-UHFFFAOYSA-N 1 2 397.501 -0.783 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC000666270375 1073900234 /nfs/dbraw/zinc/90/02/34/1073900234.db2.gz NYHCTNDIQIERMK-UHFFFAOYSA-N 1 2 397.501 -0.783 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cnn(C[C@@H](O)CO)c1 ZINC000666313664 1073903695 /nfs/dbraw/zinc/90/36/95/1073903695.db2.gz ZERQXPKHVGLFFH-GOSISDBHSA-N 1 2 391.447 -0.073 20 0 GBADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cnn(C[C@H](O)CO)c1 ZINC000666313665 1073903143 /nfs/dbraw/zinc/90/31/43/1073903143.db2.gz ZERQXPKHVGLFFH-SFHVURJKSA-N 1 2 391.447 -0.073 20 0 GBADLO Cn1nncc1CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000666373463 1073907436 /nfs/dbraw/zinc/90/74/36/1073907436.db2.gz DETXDHSAYLMAIN-UHFFFAOYSA-N 1 2 393.473 -0.979 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000666373842 1073907617 /nfs/dbraw/zinc/90/76/17/1073907617.db2.gz GGYQMQPUKQTBEK-FOLVSLTJSA-N 1 2 380.470 -0.458 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cn[nH]c(=O)c1 ZINC000666374544 1073907691 /nfs/dbraw/zinc/90/76/91/1073907691.db2.gz KKBAIJRWQPKWBB-UHFFFAOYSA-N 1 2 392.441 -0.541 20 0 GBADLO COC[C@H](OC)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000666375015 1073907467 /nfs/dbraw/zinc/90/74/67/1073907467.db2.gz OGQRGVJFIYBJFG-AWEZNQCLSA-N 1 2 386.474 -0.689 20 0 GBADLO COC[C@@H](OC)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000666375018 1073907582 /nfs/dbraw/zinc/90/75/82/1073907582.db2.gz OGQRGVJFIYBJFG-CQSZACIVSA-N 1 2 386.474 -0.689 20 0 GBADLO Cc1nnc(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000666375993 1073907356 /nfs/dbraw/zinc/90/73/56/1073907356.db2.gz UKZCWZGRAMPKFL-UHFFFAOYSA-N 1 2 393.473 -0.681 20 0 GBADLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000666454874 1073910311 /nfs/dbraw/zinc/91/03/11/1073910311.db2.gz OXVZEGBPSJRWMU-CYBMUJFWSA-N 1 2 382.486 -0.243 20 0 GBADLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000666454878 1073910616 /nfs/dbraw/zinc/91/06/16/1073910616.db2.gz OXVZEGBPSJRWMU-ZDUSSCGKSA-N 1 2 382.486 -0.243 20 0 GBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)C3(n4cnnn4)CCOCC3)CC2)cc1 ZINC000666455164 1073910240 /nfs/dbraw/zinc/91/02/40/1073910240.db2.gz RMBVPOYIYBJZHW-UHFFFAOYSA-N 1 2 399.455 -0.378 20 0 GBADLO CN1NN=C2C1=NCC[C@@H]2C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000666455708 1073910069 /nfs/dbraw/zinc/91/00/69/1073910069.db2.gz ZYCUJPIEABBSLZ-HNNXBMFYSA-N 1 2 383.456 -0.346 20 0 GBADLO CN1NN=C2C1=NCC[C@H]2C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000666455711 1073910197 /nfs/dbraw/zinc/91/01/97/1073910197.db2.gz ZYCUJPIEABBSLZ-OAHLLOKOSA-N 1 2 383.456 -0.346 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000666503242 1073912982 /nfs/dbraw/zinc/91/29/82/1073912982.db2.gz UGPYZJVGTQFHEL-DLBZAZTESA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000666503243 1073913080 /nfs/dbraw/zinc/91/30/80/1073913080.db2.gz UGPYZJVGTQFHEL-IAGOWNOFSA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000666503244 1073912769 /nfs/dbraw/zinc/91/27/69/1073912769.db2.gz UGPYZJVGTQFHEL-IRXDYDNUSA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000666503245 1073913321 /nfs/dbraw/zinc/91/33/21/1073913321.db2.gz UGPYZJVGTQFHEL-SJORKVTESA-N 1 2 399.488 -0.802 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000666503256 1073913184 /nfs/dbraw/zinc/91/31/84/1073913184.db2.gz YCUYUTTVZCCIGO-HNNXBMFYSA-N 1 2 393.488 -0.079 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000666503257 1073913240 /nfs/dbraw/zinc/91/32/40/1073913240.db2.gz YCUYUTTVZCCIGO-OAHLLOKOSA-N 1 2 393.488 -0.079 20 0 GBADLO Nc1ncnc2c1ncn2CCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000666703232 1073950526 /nfs/dbraw/zinc/95/05/26/1073950526.db2.gz QSKQRRVMLFHULX-UHFFFAOYSA-N 1 2 396.459 -0.473 20 0 GBADLO C[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)n1cnc2c1ncnc2N ZINC000666703338 1073950387 /nfs/dbraw/zinc/95/03/87/1073950387.db2.gz FLPOXLKUYITFNC-CYBMUJFWSA-N 1 2 396.459 -0.302 20 0 GBADLO C[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)n1cnc2c1ncnc2N ZINC000666703339 1073950534 /nfs/dbraw/zinc/95/05/34/1073950534.db2.gz FLPOXLKUYITFNC-ZDUSSCGKSA-N 1 2 396.459 -0.302 20 0 GBADLO NS(=O)(=O)N1CCC[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000667044803 530181424 /nfs/dbraw/zinc/18/14/24/530181424.db2.gz QTXHUEHRSASEGW-DZGCQCFKSA-N 1 2 392.547 -0.774 20 0 GBADLO NS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000667044804 530181606 /nfs/dbraw/zinc/18/16/06/530181606.db2.gz QTXHUEHRSASEGW-HIFRSBDPSA-N 1 2 392.547 -0.774 20 0 GBADLO NS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000667044805 530181569 /nfs/dbraw/zinc/18/15/69/530181569.db2.gz QTXHUEHRSASEGW-UKRRQHHQSA-N 1 2 392.547 -0.774 20 0 GBADLO NS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000667044806 530181431 /nfs/dbraw/zinc/18/14/31/530181431.db2.gz QTXHUEHRSASEGW-ZFWWWQNUSA-N 1 2 392.547 -0.774 20 0 GBADLO CCC[C@H](C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C)S(N)(=O)=O ZINC000668350219 530078991 /nfs/dbraw/zinc/07/89/91/530078991.db2.gz HHAGQWZDUSRSFK-QLFBSQMISA-N 1 2 376.523 -0.693 20 0 GBADLO CCC[C@H](C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C)S(N)(=O)=O ZINC000668350219 530078989 /nfs/dbraw/zinc/07/89/89/530078989.db2.gz HHAGQWZDUSRSFK-QLFBSQMISA-N 1 2 376.523 -0.693 20 0 GBADLO CCC[C@H](C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@H]1C)S(N)(=O)=O ZINC000668350220 530078785 /nfs/dbraw/zinc/07/87/85/530078785.db2.gz HHAGQWZDUSRSFK-RBSFLKMASA-N 1 2 376.523 -0.693 20 0 GBADLO CCC[C@H](C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@H]1C)S(N)(=O)=O ZINC000668350220 530078783 /nfs/dbraw/zinc/07/87/83/530078783.db2.gz HHAGQWZDUSRSFK-RBSFLKMASA-N 1 2 376.523 -0.693 20 0 GBADLO CCC[C@H](C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C)S(N)(=O)=O ZINC000668350221 530078821 /nfs/dbraw/zinc/07/88/21/530078821.db2.gz HHAGQWZDUSRSFK-RRFJBIMHSA-N 1 2 376.523 -0.693 20 0 GBADLO CCC[C@H](C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C)S(N)(=O)=O ZINC000668350221 530078820 /nfs/dbraw/zinc/07/88/20/530078820.db2.gz HHAGQWZDUSRSFK-RRFJBIMHSA-N 1 2 376.523 -0.693 20 0 GBADLO CCC[C@H](C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C)S(N)(=O)=O ZINC000668350222 530078878 /nfs/dbraw/zinc/07/88/78/530078878.db2.gz HHAGQWZDUSRSFK-SOUVJXGZSA-N 1 2 376.523 -0.693 20 0 GBADLO CCC[C@H](C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C)S(N)(=O)=O ZINC000668350222 530078876 /nfs/dbraw/zinc/07/88/76/530078876.db2.gz HHAGQWZDUSRSFK-SOUVJXGZSA-N 1 2 376.523 -0.693 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000668358520 530079158 /nfs/dbraw/zinc/07/91/58/530079158.db2.gz GLYPQNBYDOTNTK-GRYCIOLGSA-N 1 2 389.499 -0.605 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000668358521 530079179 /nfs/dbraw/zinc/07/91/79/530079179.db2.gz GLYPQNBYDOTNTK-IJLUTSLNSA-N 1 2 389.499 -0.605 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000668358522 530078862 /nfs/dbraw/zinc/07/88/62/530078862.db2.gz GLYPQNBYDOTNTK-QJPTWQEYSA-N 1 2 389.499 -0.605 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000668358523 530078839 /nfs/dbraw/zinc/07/88/39/530078839.db2.gz GLYPQNBYDOTNTK-SDDRHHMPSA-N 1 2 389.499 -0.605 20 0 GBADLO CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC000668376866 530081138 /nfs/dbraw/zinc/08/11/38/530081138.db2.gz QBJGBKCMQAADJP-NXEZZACHSA-N 1 2 382.364 -0.567 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1)[NH+]1CCOCC1 ZINC000668428005 1072466587 /nfs/dbraw/zinc/46/65/87/1072466587.db2.gz UMWALDLWHJAEAR-JKSUJKDBSA-N 1 2 378.477 -0.400 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000668429521 1072471236 /nfs/dbraw/zinc/47/12/36/1072471236.db2.gz HZYZGYVQMQKFEZ-KBPBESRZSA-N 1 2 396.469 -0.774 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)C[C@H]21 ZINC000668502336 1072175321 /nfs/dbraw/zinc/17/53/21/1072175321.db2.gz SUDMGTUTYYKZEG-XQLPTFJDSA-N 1 2 387.502 -0.753 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000668543825 1072255744 /nfs/dbraw/zinc/25/57/44/1072255744.db2.gz YALGJMIKDAIZDY-UONOGXRCSA-N 1 2 396.469 -0.905 20 0 GBADLO CC[C@H](C)[C@@H](NC(=O)CCS(C)(=O)=O)C(=O)NCC[NH+]1CCOCC1 ZINC000668587197 530103160 /nfs/dbraw/zinc/10/31/60/530103160.db2.gz JNEJKTOTGJWVAF-DZGCQCFKSA-N 1 2 377.507 -0.600 20 0 GBADLO CC[C@@H](C)[C@H](NC(=O)CCS(C)(=O)=O)C(=O)NCC[NH+]1CCOCC1 ZINC000668587199 530102851 /nfs/dbraw/zinc/10/28/51/530102851.db2.gz JNEJKTOTGJWVAF-HIFRSBDPSA-N 1 2 377.507 -0.600 20 0 GBADLO CC[C@@H](C)[C@@H](NC(=O)CCS(C)(=O)=O)C(=O)NCC[NH+]1CCOCC1 ZINC000668587200 530103183 /nfs/dbraw/zinc/10/31/83/530103183.db2.gz JNEJKTOTGJWVAF-UKRRQHHQSA-N 1 2 377.507 -0.600 20 0 GBADLO CC[C@H](C)[C@H](NC(=O)CCS(C)(=O)=O)C(=O)NCC[NH+]1CCOCC1 ZINC000668587203 530103178 /nfs/dbraw/zinc/10/31/78/530103178.db2.gz JNEJKTOTGJWVAF-ZFWWWQNUSA-N 1 2 377.507 -0.600 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000668611126 1072337966 /nfs/dbraw/zinc/33/79/66/1072337966.db2.gz ATODUBAARPLMNX-ZFWWWQNUSA-N 1 2 392.437 -0.583 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCCCCn3cc[nH+]c3)C[C@H]21 ZINC000668612167 1072339713 /nfs/dbraw/zinc/33/97/13/1072339713.db2.gz OJGSYIODNFGFOB-MJBXVCDLSA-N 1 2 384.458 -0.950 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000668642479 1072395923 /nfs/dbraw/zinc/39/59/23/1072395923.db2.gz BXFLUGBEFNYAMQ-HUUCEWRRSA-N 1 2 383.470 -0.837 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000668642479 1072395922 /nfs/dbraw/zinc/39/59/22/1072395922.db2.gz BXFLUGBEFNYAMQ-HUUCEWRRSA-N 1 2 383.470 -0.837 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000668642480 1072395918 /nfs/dbraw/zinc/39/59/18/1072395918.db2.gz BXFLUGBEFNYAMQ-LSDHHAIUSA-N 1 2 383.470 -0.837 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000668642480 1072395913 /nfs/dbraw/zinc/39/59/13/1072395913.db2.gz BXFLUGBEFNYAMQ-LSDHHAIUSA-N 1 2 383.470 -0.837 20 0 GBADLO CN(C)S(=O)(=O)NCC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000668667413 530109238 /nfs/dbraw/zinc/10/92/38/530109238.db2.gz XKXGMUVUTIYLEO-CYBMUJFWSA-N 1 2 389.547 -0.451 20 0 GBADLO CN(C)S(=O)(=O)NCC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000668667414 530109072 /nfs/dbraw/zinc/10/90/72/530109072.db2.gz XKXGMUVUTIYLEO-ZDUSSCGKSA-N 1 2 389.547 -0.451 20 0 GBADLO CCC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)S(N)(=O)=O ZINC000668672331 530109643 /nfs/dbraw/zinc/10/96/43/530109643.db2.gz NJYVEBIHVVVTGL-AWEZNQCLSA-N 1 2 376.523 -0.154 20 0 GBADLO CCC[C@@H](C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1)S(N)(=O)=O ZINC000668672331 530109641 /nfs/dbraw/zinc/10/96/41/530109641.db2.gz NJYVEBIHVVVTGL-AWEZNQCLSA-N 1 2 376.523 -0.154 20 0 GBADLO CCC[C@H](C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)S(N)(=O)=O ZINC000668672332 530109542 /nfs/dbraw/zinc/10/95/42/530109542.db2.gz NJYVEBIHVVVTGL-CQSZACIVSA-N 1 2 376.523 -0.154 20 0 GBADLO CCC[C@H](C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1)S(N)(=O)=O ZINC000668672332 530109540 /nfs/dbraw/zinc/10/95/40/530109540.db2.gz NJYVEBIHVVVTGL-CQSZACIVSA-N 1 2 376.523 -0.154 20 0 GBADLO NS(=O)(=O)c1ccsc1C(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000668821069 530125360 /nfs/dbraw/zinc/12/53/60/530125360.db2.gz AXDRKKCEKPDPLI-GFCCVEGCSA-N 1 2 388.515 -0.468 20 0 GBADLO NS(=O)(=O)c1ccsc1C(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000668821070 530125390 /nfs/dbraw/zinc/12/53/90/530125390.db2.gz AXDRKKCEKPDPLI-LBPRGKRZSA-N 1 2 388.515 -0.468 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Cn1ccnn1 ZINC000668856558 1073135125 /nfs/dbraw/zinc/13/51/25/1073135125.db2.gz AFLPUQGPDRLHGH-QGZVFWFLSA-N 1 2 398.467 -0.011 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000668856604 1073134929 /nfs/dbraw/zinc/13/49/29/1073134929.db2.gz AZTFHEYGXFVEIF-LTIDMASMSA-N 1 2 392.500 -0.269 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000668856605 1073135287 /nfs/dbraw/zinc/13/52/87/1073135287.db2.gz AZTFHEYGXFVEIF-NCOADZHNSA-N 1 2 392.500 -0.269 20 0 GBADLO CC(C)(C)n1nnc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000668858046 1073142822 /nfs/dbraw/zinc/14/28/22/1073142822.db2.gz SYVWKQDGFWQOTK-ZDUSSCGKSA-N 1 2 379.465 -0.980 20 0 GBADLO CO[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000668890925 1073262902 /nfs/dbraw/zinc/26/29/02/1073262902.db2.gz GJGXCTORJFODNY-WCXIOVBPSA-N 1 2 383.489 -0.086 20 0 GBADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000668891325 1073263665 /nfs/dbraw/zinc/26/36/65/1073263665.db2.gz NDOIDXKVCJKJLI-KURKYZTESA-N 1 2 394.516 -0.321 20 0 GBADLO NC(=O)c1csc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000668892237 1073268236 /nfs/dbraw/zinc/26/82/36/1073268236.db2.gz ZIDQKMRWFPZASH-AAEUAGOBSA-N 1 2 395.485 -0.382 20 0 GBADLO CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669196492 1073623114 /nfs/dbraw/zinc/62/31/14/1073623114.db2.gz DWGMIUUGOBOSDX-GJZGRUSLSA-N 1 2 388.472 -0.009 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000669631250 530346252 /nfs/dbraw/zinc/34/62/52/530346252.db2.gz UYYHRDCXLSGWKN-NEPJUHHUSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000669631250 530346250 /nfs/dbraw/zinc/34/62/50/530346250.db2.gz UYYHRDCXLSGWKN-NEPJUHHUSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000669631251 530346516 /nfs/dbraw/zinc/34/65/16/530346516.db2.gz UYYHRDCXLSGWKN-NWDGAFQWSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000669631251 530346513 /nfs/dbraw/zinc/34/65/13/530346513.db2.gz UYYHRDCXLSGWKN-NWDGAFQWSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000669631252 530346488 /nfs/dbraw/zinc/34/64/88/530346488.db2.gz UYYHRDCXLSGWKN-RYUDHWBXSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000669631252 530346486 /nfs/dbraw/zinc/34/64/86/530346486.db2.gz UYYHRDCXLSGWKN-RYUDHWBXSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000669631253 530346308 /nfs/dbraw/zinc/34/63/08/530346308.db2.gz UYYHRDCXLSGWKN-VXGBXAGGSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000669631253 530346307 /nfs/dbraw/zinc/34/63/07/530346307.db2.gz UYYHRDCXLSGWKN-VXGBXAGGSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000669633814 530346959 /nfs/dbraw/zinc/34/69/59/530346959.db2.gz ZBPZDOQKHDHCAH-UHFFFAOYSA-N 1 2 391.515 -0.328 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000669633814 530346957 /nfs/dbraw/zinc/34/69/57/530346957.db2.gz ZBPZDOQKHDHCAH-UHFFFAOYSA-N 1 2 391.515 -0.328 20 0 GBADLO CS(=O)(=O)NC1CC(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000669855841 530414063 /nfs/dbraw/zinc/41/40/63/530414063.db2.gz PKTUMEIWTVEKBZ-PIMMBPRGSA-N 1 2 392.547 -0.426 20 0 GBADLO CS(=O)(=O)NC1CC(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000669855842 530414242 /nfs/dbraw/zinc/41/42/42/530414242.db2.gz PKTUMEIWTVEKBZ-SSDMNJCBSA-N 1 2 392.547 -0.426 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)N(CCO)CC[NH+]2CCOCC2)c(F)c1 ZINC000669908473 530419221 /nfs/dbraw/zinc/41/92/21/530419221.db2.gz QMXVVOFCGGDYGS-UHFFFAOYSA-N 1 2 375.422 -0.760 20 0 GBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000670406414 530130833 /nfs/dbraw/zinc/13/08/33/530130833.db2.gz QRASAAWVLLDOIN-JTQLQIEISA-N 1 2 386.250 -0.783 20 0 GBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000670406414 530130830 /nfs/dbraw/zinc/13/08/30/530130830.db2.gz QRASAAWVLLDOIN-JTQLQIEISA-N 1 2 386.250 -0.783 20 0 GBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000670406415 530130784 /nfs/dbraw/zinc/13/07/84/530130784.db2.gz QRASAAWVLLDOIN-SNVBAGLBSA-N 1 2 386.250 -0.783 20 0 GBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000670406415 530130783 /nfs/dbraw/zinc/13/07/83/530130783.db2.gz QRASAAWVLLDOIN-SNVBAGLBSA-N 1 2 386.250 -0.783 20 0 GBADLO COc1ccc(OCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000670724401 1072615655 /nfs/dbraw/zinc/61/56/55/1072615655.db2.gz OWDIVITWRGOGIK-HNNXBMFYSA-N 1 2 395.456 -0.658 20 0 GBADLO COc1ccc(OCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000670724402 1072615569 /nfs/dbraw/zinc/61/55/69/1072615569.db2.gz OWDIVITWRGOGIK-OAHLLOKOSA-N 1 2 395.456 -0.658 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC000670814316 1073532325 /nfs/dbraw/zinc/53/23/25/1073532325.db2.gz KJBGQNBHNXBTDO-CQSZACIVSA-N 1 2 376.448 -0.131 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000671126343 1073857510 /nfs/dbraw/zinc/85/75/10/1073857510.db2.gz ILGCUPIKIXSXLR-CQSZACIVSA-N 1 2 397.501 -0.582 20 0 GBADLO CN(C)S(=O)(=O)CC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000671688680 530176485 /nfs/dbraw/zinc/17/64/85/530176485.db2.gz BVCARTAPVPUSCG-UHFFFAOYSA-N 1 2 376.504 -0.653 20 0 GBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CCOC1 ZINC000671822684 1073856152 /nfs/dbraw/zinc/85/61/52/1073856152.db2.gz RQGIQRFZEFNTBB-MRXNPFEDSA-N 1 2 377.441 -0.081 20 0 GBADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000672165353 530182563 /nfs/dbraw/zinc/18/25/63/530182563.db2.gz JHISNZLDXXFUEK-BFHYXJOUSA-N 1 2 377.507 -0.507 20 0 GBADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000672165353 530182558 /nfs/dbraw/zinc/18/25/58/530182558.db2.gz JHISNZLDXXFUEK-BFHYXJOUSA-N 1 2 377.507 -0.507 20 0 GBADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000672165354 530443408 /nfs/dbraw/zinc/44/34/08/530443408.db2.gz JHISNZLDXXFUEK-HZSPNIEDSA-N 1 2 377.507 -0.507 20 0 GBADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000672165354 530443406 /nfs/dbraw/zinc/44/34/06/530443406.db2.gz JHISNZLDXXFUEK-HZSPNIEDSA-N 1 2 377.507 -0.507 20 0 GBADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000672165355 530443206 /nfs/dbraw/zinc/44/32/06/530443206.db2.gz JHISNZLDXXFUEK-MELADBBJSA-N 1 2 377.507 -0.507 20 0 GBADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000672165355 530443205 /nfs/dbraw/zinc/44/32/05/530443205.db2.gz JHISNZLDXXFUEK-MELADBBJSA-N 1 2 377.507 -0.507 20 0 GBADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000672165356 530443682 /nfs/dbraw/zinc/44/36/82/530443682.db2.gz JHISNZLDXXFUEK-MGPQQGTHSA-N 1 2 377.507 -0.507 20 0 GBADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000672165356 530443681 /nfs/dbraw/zinc/44/36/81/530443681.db2.gz JHISNZLDXXFUEK-MGPQQGTHSA-N 1 2 377.507 -0.507 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(N2CCn3cc[nH+]c3C2)c(S(N)(=O)=O)c1 ZINC000672201206 530182616 /nfs/dbraw/zinc/18/26/16/530182616.db2.gz HARSVKZSINWSOT-UHFFFAOYSA-N 1 2 385.471 -0.199 20 0 GBADLO C[NH+](C)C[C@H](NS(=O)(=O)N1CCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000672423485 530184153 /nfs/dbraw/zinc/18/41/53/530184153.db2.gz QUYHQZQENUJDBV-AWEZNQCLSA-N 1 2 379.479 -0.007 20 0 GBADLO C[NH+](C)C[C@@H](NS(=O)(=O)N1CCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000672423486 530184023 /nfs/dbraw/zinc/18/40/23/530184023.db2.gz QUYHQZQENUJDBV-CQSZACIVSA-N 1 2 379.479 -0.007 20 0 GBADLO CS(=O)(=O)N1CCN(CCNC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000672773701 530184402 /nfs/dbraw/zinc/18/44/02/530184402.db2.gz CKMRIRGYKGMRHW-UHFFFAOYSA-N 1 2 382.477 -0.343 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000672797297 530415915 /nfs/dbraw/zinc/41/59/15/530415915.db2.gz CBIJFGWTDLBUMZ-CHWSQXEVSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000672797297 530415913 /nfs/dbraw/zinc/41/59/13/530415913.db2.gz CBIJFGWTDLBUMZ-CHWSQXEVSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672797298 530416172 /nfs/dbraw/zinc/41/61/72/530416172.db2.gz CBIJFGWTDLBUMZ-OLZOCXBDSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000672797298 530416171 /nfs/dbraw/zinc/41/61/71/530416171.db2.gz CBIJFGWTDLBUMZ-OLZOCXBDSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000672797299 530415900 /nfs/dbraw/zinc/41/59/00/530415900.db2.gz CBIJFGWTDLBUMZ-QWHCGFSZSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000672797299 530415897 /nfs/dbraw/zinc/41/58/97/530415897.db2.gz CBIJFGWTDLBUMZ-QWHCGFSZSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672797300 530416084 /nfs/dbraw/zinc/41/60/84/530416084.db2.gz CBIJFGWTDLBUMZ-STQMWFEESA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000672797300 530416081 /nfs/dbraw/zinc/41/60/81/530416081.db2.gz CBIJFGWTDLBUMZ-STQMWFEESA-N 1 2 391.515 -0.066 20 0 GBADLO CC1(C)CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC[N@H+]1CCO ZINC000672878757 530184435 /nfs/dbraw/zinc/18/44/35/530184435.db2.gz SZSQWSIUXLXYBD-UHFFFAOYSA-N 1 2 377.488 -0.589 20 0 GBADLO CC1(C)CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC[N@@H+]1CCO ZINC000672878757 530184430 /nfs/dbraw/zinc/18/44/30/530184430.db2.gz SZSQWSIUXLXYBD-UHFFFAOYSA-N 1 2 377.488 -0.589 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000672879467 530184893 /nfs/dbraw/zinc/18/48/93/530184893.db2.gz UYNFUNLBQYHEIQ-UHFFFAOYSA-N 1 2 391.515 -0.328 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000672879467 530184889 /nfs/dbraw/zinc/18/48/89/530184889.db2.gz UYNFUNLBQYHEIQ-UHFFFAOYSA-N 1 2 391.515 -0.328 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1 ZINC000672880805 530184935 /nfs/dbraw/zinc/18/49/35/530184935.db2.gz WWDGMHWPPDWEFA-UHFFFAOYSA-N 1 2 391.515 -0.328 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000672880805 530184932 /nfs/dbraw/zinc/18/49/32/530184932.db2.gz WWDGMHWPPDWEFA-UHFFFAOYSA-N 1 2 391.515 -0.328 20 0 GBADLO CC1(C)CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@H+]1CCO ZINC000672880811 530184945 /nfs/dbraw/zinc/18/49/45/530184945.db2.gz YOKBIELDNOSGCQ-UHFFFAOYSA-N 1 2 377.488 -0.589 20 0 GBADLO CC1(C)CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000672880811 530184943 /nfs/dbraw/zinc/18/49/43/530184943.db2.gz YOKBIELDNOSGCQ-UHFFFAOYSA-N 1 2 377.488 -0.589 20 0 GBADLO CC(C)(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000673998846 530186552 /nfs/dbraw/zinc/18/65/52/530186552.db2.gz SKAKHCAETSHANP-CYBMUJFWSA-N 1 2 375.491 -0.894 20 0 GBADLO CC(C)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000673998847 530186652 /nfs/dbraw/zinc/18/66/52/530186652.db2.gz SKAKHCAETSHANP-ZDUSSCGKSA-N 1 2 375.491 -0.894 20 0 GBADLO CC(C)(CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000674030513 530186478 /nfs/dbraw/zinc/18/64/78/530186478.db2.gz KBRVQABMIYDWSR-AWEZNQCLSA-N 1 2 376.523 -0.485 20 0 GBADLO CC(C)(CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000674030513 530186476 /nfs/dbraw/zinc/18/64/76/530186476.db2.gz KBRVQABMIYDWSR-AWEZNQCLSA-N 1 2 376.523 -0.485 20 0 GBADLO CC(C)(CNC(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000674030513 530186473 /nfs/dbraw/zinc/18/64/73/530186473.db2.gz KBRVQABMIYDWSR-AWEZNQCLSA-N 1 2 376.523 -0.485 20 0 GBADLO CC(C)(CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000674030514 530186915 /nfs/dbraw/zinc/18/69/15/530186915.db2.gz KBRVQABMIYDWSR-CQSZACIVSA-N 1 2 376.523 -0.485 20 0 GBADLO CC(C)(CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)S(C)(=O)=O ZINC000674030514 530186911 /nfs/dbraw/zinc/18/69/11/530186911.db2.gz KBRVQABMIYDWSR-CQSZACIVSA-N 1 2 376.523 -0.485 20 0 GBADLO CC(C)(CNC(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000674030514 530186907 /nfs/dbraw/zinc/18/69/07/530186907.db2.gz KBRVQABMIYDWSR-CQSZACIVSA-N 1 2 376.523 -0.485 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCCOC3)CC2)cc1 ZINC000674300954 530187783 /nfs/dbraw/zinc/18/77/83/530187783.db2.gz JNSYYEMOMFLQNE-CYBMUJFWSA-N 1 2 389.499 -0.181 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCCOC3)CC2)cc1 ZINC000674300955 530187668 /nfs/dbraw/zinc/18/76/68/530187668.db2.gz JNSYYEMOMFLQNE-ZDUSSCGKSA-N 1 2 389.499 -0.181 20 0 GBADLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000674328433 530187753 /nfs/dbraw/zinc/18/77/53/530187753.db2.gz OSHPTHCKOPNIBZ-UHFFFAOYSA-N 1 2 375.495 -0.997 20 0 GBADLO NC(=O)[C@@H]1CCN(c2nc(N3CC[C@H](C(N)=O)C3)[nH+]cc2Br)C1 ZINC000674335587 530187870 /nfs/dbraw/zinc/18/78/70/530187870.db2.gz OFRWIZRFKZODPI-BDAKNGLRSA-N 1 2 383.250 -0.138 20 0 GBADLO NC(=O)[C@@H]1CCN(c2nc(N3CC[C@H](C(N)=O)C3)c(Br)c[nH+]2)C1 ZINC000674335588 530187774 /nfs/dbraw/zinc/18/77/74/530187774.db2.gz OFRWIZRFKZODPI-DTWKUNHWSA-N 1 2 383.250 -0.138 20 0 GBADLO NC(=O)[C@H]1CCN(c2nc(N3CC[C@H](C(N)=O)C3)c(Br)c[nH+]2)C1 ZINC000674335589 530187758 /nfs/dbraw/zinc/18/77/58/530187758.db2.gz OFRWIZRFKZODPI-IUCAKERBSA-N 1 2 383.250 -0.138 20 0 GBADLO NC(=O)[C@@H]1CCN(c2nc(N3CC[C@@H](C(N)=O)C3)c(Br)c[nH+]2)C1 ZINC000674335590 530187722 /nfs/dbraw/zinc/18/77/22/530187722.db2.gz OFRWIZRFKZODPI-RKDXNWHRSA-N 1 2 383.250 -0.138 20 0 GBADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000674369112 530188232 /nfs/dbraw/zinc/18/82/32/530188232.db2.gz YNDPKLIBDRQMOY-GFCCVEGCSA-N 1 2 375.447 -0.691 20 0 GBADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000674369113 530188339 /nfs/dbraw/zinc/18/83/39/530188339.db2.gz YNDPKLIBDRQMOY-LBPRGKRZSA-N 1 2 375.447 -0.691 20 0 GBADLO CN(CCN1CCCS1(=O)=O)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000674463290 530188204 /nfs/dbraw/zinc/18/82/04/530188204.db2.gz KQNFBHXUDMWERS-UHFFFAOYSA-N 1 2 376.523 -0.819 20 0 GBADLO O=C(CNC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)Nc1ccccc1Br ZINC000674494990 530188353 /nfs/dbraw/zinc/18/83/53/530188353.db2.gz CZQQGCHHOQZJCQ-PHIMTYICSA-N 1 2 386.246 -0.069 20 0 GBADLO O=C(CNC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1)Nc1ccccc1Br ZINC000674494990 530188352 /nfs/dbraw/zinc/18/83/52/530188352.db2.gz CZQQGCHHOQZJCQ-PHIMTYICSA-N 1 2 386.246 -0.069 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)ccc1Cl ZINC000674497597 530188261 /nfs/dbraw/zinc/18/82/61/530188261.db2.gz JPESPNAIBMONQE-TXEJJXNPSA-N 1 2 391.877 -0.044 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)ccc1Cl ZINC000674497597 530188260 /nfs/dbraw/zinc/18/82/60/530188260.db2.gz JPESPNAIBMONQE-TXEJJXNPSA-N 1 2 391.877 -0.044 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000674715227 530188878 /nfs/dbraw/zinc/18/88/78/530188878.db2.gz DTMLUYYCTSRXMK-CYBMUJFWSA-N 1 2 377.492 -0.658 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000674715228 530188753 /nfs/dbraw/zinc/18/87/53/530188753.db2.gz DTMLUYYCTSRXMK-ZDUSSCGKSA-N 1 2 377.492 -0.658 20 0 GBADLO CS(=O)(=O)N1CCN(S(=O)(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000674716084 530188848 /nfs/dbraw/zinc/18/88/48/530188848.db2.gz UPAFTIQDTKGPBT-UHFFFAOYSA-N 1 2 388.515 -0.586 20 0 GBADLO CCN(C(=O)[C@@H](C)N1CC[NH+](C(C)(C)CO)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000674757649 530188808 /nfs/dbraw/zinc/18/88/08/530188808.db2.gz HOJZXYVBYYDWTM-CABCVRRESA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@H](C)N1CC[NH+](C(C)(C)CO)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000674757650 530188720 /nfs/dbraw/zinc/18/87/20/530188720.db2.gz HOJZXYVBYYDWTM-GJZGRUSLSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@@H](C)N1CC[NH+](C(C)(C)CO)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000674757651 530188893 /nfs/dbraw/zinc/18/88/93/530188893.db2.gz HOJZXYVBYYDWTM-HUUCEWRRSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@H](C)N1CC[NH+](C(C)(C)CO)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000674757652 530188882 /nfs/dbraw/zinc/18/88/82/530188882.db2.gz HOJZXYVBYYDWTM-LSDHHAIUSA-N 1 2 375.535 -0.201 20 0 GBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000675541218 530189745 /nfs/dbraw/zinc/18/97/45/530189745.db2.gz LDKHFADRUTVXKM-CABCVRRESA-N 1 2 375.491 -0.640 20 0 GBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000675541219 530189869 /nfs/dbraw/zinc/18/98/69/530189869.db2.gz LDKHFADRUTVXKM-GJZGRUSLSA-N 1 2 375.491 -0.640 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000675541220 530189808 /nfs/dbraw/zinc/18/98/08/530189808.db2.gz LDKHFADRUTVXKM-HUUCEWRRSA-N 1 2 375.491 -0.640 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000675541221 530189790 /nfs/dbraw/zinc/18/97/90/530189790.db2.gz LDKHFADRUTVXKM-LSDHHAIUSA-N 1 2 375.491 -0.640 20 0 GBADLO C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675554380 530189932 /nfs/dbraw/zinc/18/99/32/530189932.db2.gz JQNVITYZAXEMDT-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675554380 530189931 /nfs/dbraw/zinc/18/99/31/530189931.db2.gz JQNVITYZAXEMDT-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675554380 530189929 /nfs/dbraw/zinc/18/99/29/530189929.db2.gz JQNVITYZAXEMDT-CABCVRRESA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675554381 530189678 /nfs/dbraw/zinc/18/96/78/530189678.db2.gz JQNVITYZAXEMDT-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675554381 530189675 /nfs/dbraw/zinc/18/96/75/530189675.db2.gz JQNVITYZAXEMDT-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675554381 530189672 /nfs/dbraw/zinc/18/96/72/530189672.db2.gz JQNVITYZAXEMDT-GJZGRUSLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675554382 530189735 /nfs/dbraw/zinc/18/97/35/530189735.db2.gz JQNVITYZAXEMDT-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675554382 530189732 /nfs/dbraw/zinc/18/97/32/530189732.db2.gz JQNVITYZAXEMDT-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675554382 530189727 /nfs/dbraw/zinc/18/97/27/530189727.db2.gz JQNVITYZAXEMDT-HUUCEWRRSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000675554383 530189857 /nfs/dbraw/zinc/18/98/57/530189857.db2.gz JQNVITYZAXEMDT-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675554383 530189855 /nfs/dbraw/zinc/18/98/55/530189855.db2.gz JQNVITYZAXEMDT-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675554383 530189854 /nfs/dbraw/zinc/18/98/54/530189854.db2.gz JQNVITYZAXEMDT-LSDHHAIUSA-N 1 2 376.523 -0.485 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+]C2(C(=O)[O-])CCCC2)CC1 ZINC000676230460 600558326 /nfs/dbraw/zinc/55/83/26/600558326.db2.gz IWDPMLCFKBBAQN-UHFFFAOYSA-N 1 2 387.444 -0.001 20 0 GBADLO C[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676236583 530191043 /nfs/dbraw/zinc/19/10/43/530191043.db2.gz BYXKJULMICWGIO-DZGCQCFKSA-N 1 2 391.515 -0.397 20 0 GBADLO C[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000676236583 530191041 /nfs/dbraw/zinc/19/10/41/530191041.db2.gz BYXKJULMICWGIO-DZGCQCFKSA-N 1 2 391.515 -0.397 20 0 GBADLO C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676236584 530191028 /nfs/dbraw/zinc/19/10/28/530191028.db2.gz BYXKJULMICWGIO-HIFRSBDPSA-N 1 2 391.515 -0.397 20 0 GBADLO C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676236584 530191027 /nfs/dbraw/zinc/19/10/27/530191027.db2.gz BYXKJULMICWGIO-HIFRSBDPSA-N 1 2 391.515 -0.397 20 0 GBADLO C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676236585 530190726 /nfs/dbraw/zinc/19/07/26/530190726.db2.gz BYXKJULMICWGIO-UKRRQHHQSA-N 1 2 391.515 -0.397 20 0 GBADLO C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000676236585 530190723 /nfs/dbraw/zinc/19/07/23/530190723.db2.gz BYXKJULMICWGIO-UKRRQHHQSA-N 1 2 391.515 -0.397 20 0 GBADLO C[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676236586 530190575 /nfs/dbraw/zinc/19/05/75/530190575.db2.gz BYXKJULMICWGIO-ZFWWWQNUSA-N 1 2 391.515 -0.397 20 0 GBADLO C[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676236586 530190572 /nfs/dbraw/zinc/19/05/72/530190572.db2.gz BYXKJULMICWGIO-ZFWWWQNUSA-N 1 2 391.515 -0.397 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000676236656 530190829 /nfs/dbraw/zinc/19/08/29/530190829.db2.gz CTINLQHZJOPZAP-BXUZGUMPSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000676236656 530190827 /nfs/dbraw/zinc/19/08/27/530190827.db2.gz CTINLQHZJOPZAP-BXUZGUMPSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000676236660 530190942 /nfs/dbraw/zinc/19/09/42/530190942.db2.gz CTINLQHZJOPZAP-FZMZJTMJSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000676236660 530190940 /nfs/dbraw/zinc/19/09/40/530190940.db2.gz CTINLQHZJOPZAP-FZMZJTMJSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000676236662 530191012 /nfs/dbraw/zinc/19/10/12/530191012.db2.gz CTINLQHZJOPZAP-RISCZKNCSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000676236662 530191011 /nfs/dbraw/zinc/19/10/11/530191011.db2.gz CTINLQHZJOPZAP-RISCZKNCSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000676236664 530190957 /nfs/dbraw/zinc/19/09/57/530190957.db2.gz CTINLQHZJOPZAP-SMDDNHRTSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000676236664 530190955 /nfs/dbraw/zinc/19/09/55/530190955.db2.gz CTINLQHZJOPZAP-SMDDNHRTSA-N 1 2 377.488 -0.408 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676237057 530190970 /nfs/dbraw/zinc/19/09/70/530190970.db2.gz GOUKIEAHZRJOGK-DOMZBBRYSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676237057 530190968 /nfs/dbraw/zinc/19/09/68/530190968.db2.gz GOUKIEAHZRJOGK-DOMZBBRYSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676237059 530190675 /nfs/dbraw/zinc/19/06/75/530190675.db2.gz GOUKIEAHZRJOGK-IUODEOHRSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676237059 530190672 /nfs/dbraw/zinc/19/06/72/530190672.db2.gz GOUKIEAHZRJOGK-IUODEOHRSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676237061 530190881 /nfs/dbraw/zinc/19/08/81/530190881.db2.gz GOUKIEAHZRJOGK-SWLSCSKDSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676237061 530190880 /nfs/dbraw/zinc/19/08/80/530190880.db2.gz GOUKIEAHZRJOGK-SWLSCSKDSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676237062 530190621 /nfs/dbraw/zinc/19/06/21/530190621.db2.gz GOUKIEAHZRJOGK-WFASDCNBSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676237062 530190618 /nfs/dbraw/zinc/19/06/18/530190618.db2.gz GOUKIEAHZRJOGK-WFASDCNBSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676237628 530191037 /nfs/dbraw/zinc/19/10/37/530191037.db2.gz LWMGHQHOXWIBMO-DOMZBBRYSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676237628 530191036 /nfs/dbraw/zinc/19/10/36/530191036.db2.gz LWMGHQHOXWIBMO-DOMZBBRYSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676237629 530190876 /nfs/dbraw/zinc/19/08/76/530190876.db2.gz LWMGHQHOXWIBMO-IUODEOHRSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676237629 530190874 /nfs/dbraw/zinc/19/08/74/530190874.db2.gz LWMGHQHOXWIBMO-IUODEOHRSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676237630 530191025 /nfs/dbraw/zinc/19/10/25/530191025.db2.gz LWMGHQHOXWIBMO-SWLSCSKDSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676237630 530191024 /nfs/dbraw/zinc/19/10/24/530191024.db2.gz LWMGHQHOXWIBMO-SWLSCSKDSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676237631 530191020 /nfs/dbraw/zinc/19/10/20/530191020.db2.gz LWMGHQHOXWIBMO-WFASDCNBSA-N 1 2 391.515 -0.066 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676237631 530191018 /nfs/dbraw/zinc/19/10/18/530191018.db2.gz LWMGHQHOXWIBMO-WFASDCNBSA-N 1 2 391.515 -0.066 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000676238225 530190640 /nfs/dbraw/zinc/19/06/40/530190640.db2.gz UYGSRBJRUOBCDX-BXUZGUMPSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000676238225 530190638 /nfs/dbraw/zinc/19/06/38/530190638.db2.gz UYGSRBJRUOBCDX-BXUZGUMPSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000676238226 530190899 /nfs/dbraw/zinc/19/08/99/530190899.db2.gz UYGSRBJRUOBCDX-FZMZJTMJSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000676238226 530190896 /nfs/dbraw/zinc/19/08/96/530190896.db2.gz UYGSRBJRUOBCDX-FZMZJTMJSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000676238227 530190758 /nfs/dbraw/zinc/19/07/58/530190758.db2.gz UYGSRBJRUOBCDX-RISCZKNCSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000676238227 530190757 /nfs/dbraw/zinc/19/07/57/530190757.db2.gz UYGSRBJRUOBCDX-RISCZKNCSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000676238228 530190777 /nfs/dbraw/zinc/19/07/77/530190777.db2.gz UYGSRBJRUOBCDX-SMDDNHRTSA-N 1 2 377.488 -0.408 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000676238228 530190775 /nfs/dbraw/zinc/19/07/75/530190775.db2.gz UYGSRBJRUOBCDX-SMDDNHRTSA-N 1 2 377.488 -0.408 20 0 GBADLO O=C(CNS(=O)(=O)c1cccs1)N(CCO)CC[NH+]1CCOCC1 ZINC000676404938 530191470 /nfs/dbraw/zinc/19/14/70/530191470.db2.gz VVMHICOKPSUUBC-UHFFFAOYSA-N 1 2 377.488 -0.821 20 0 GBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000676862546 530192208 /nfs/dbraw/zinc/19/22/08/530192208.db2.gz OISXSJOUBKPRQE-GFCCVEGCSA-N 1 2 377.488 -0.589 20 0 GBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000676862549 530192359 /nfs/dbraw/zinc/19/23/59/530192359.db2.gz OISXSJOUBKPRQE-LBPRGKRZSA-N 1 2 377.488 -0.589 20 0 GBADLO O=C(CCCS(=O)(=O)N1CCCC1)N(CCO)CC[NH+]1CCOCC1 ZINC000677442558 530193634 /nfs/dbraw/zinc/19/36/34/530193634.db2.gz CPLDSQFEALBEEK-UHFFFAOYSA-N 1 2 377.507 -0.655 20 0 GBADLO O=C(CCNS(=O)(=O)c1cccs1)N(CCO)CC[NH+]1CCOCC1 ZINC000677444446 530193619 /nfs/dbraw/zinc/19/36/19/530193619.db2.gz REWCHHCWESZZIH-UHFFFAOYSA-N 1 2 391.515 -0.430 20 0 GBADLO NS(=O)(=O)c1ccc(CC(=O)N(CCO)CC[NH+]2CCOCC2)s1 ZINC000677444637 530193377 /nfs/dbraw/zinc/19/33/77/530193377.db2.gz XCSPUEACBSAVPU-UHFFFAOYSA-N 1 2 377.488 -0.909 20 0 GBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677444891 530193249 /nfs/dbraw/zinc/19/32/49/530193249.db2.gz PHRGORCUDNAKOH-HNNXBMFYSA-N 1 2 377.507 -0.799 20 0 GBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677444892 530193393 /nfs/dbraw/zinc/19/33/93/530193393.db2.gz PHRGORCUDNAKOH-OAHLLOKOSA-N 1 2 377.507 -0.799 20 0 GBADLO O=S(=O)(NCc1[nH]cc[nH+]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000677601074 530193384 /nfs/dbraw/zinc/19/33/84/530193384.db2.gz ZWIGPJLUYAUZPQ-UHFFFAOYSA-N 1 2 386.455 -0.091 20 0 GBADLO CC(C)(C)NS(=O)(=O)CCNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000677895929 530193958 /nfs/dbraw/zinc/19/39/58/530193958.db2.gz ZLPYMRJPTFDWLM-UHFFFAOYSA-N 1 2 380.511 -0.960 20 0 GBADLO O=S1(=O)CCN(c2nc(N3CCS(=O)(=O)CC3)c(C3CC3)c[nH+]2)CC1 ZINC000677955682 530194207 /nfs/dbraw/zinc/19/42/07/530194207.db2.gz LDYQHXUVMCAKNF-UHFFFAOYSA-N 1 2 386.499 -0.176 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000678133394 530193906 /nfs/dbraw/zinc/19/39/06/530193906.db2.gz IKZQTPRVUPTWEZ-UHFFFAOYSA-N 1 2 375.520 -0.096 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678133624 530193821 /nfs/dbraw/zinc/19/38/21/530193821.db2.gz OUWQBCXHBZGZIT-UHFFFAOYSA-N 1 2 376.504 -0.018 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)nc1 ZINC000678305573 530193834 /nfs/dbraw/zinc/19/38/34/530193834.db2.gz ABMGXBVLSUWMTN-HNNXBMFYSA-N 1 2 386.499 -0.333 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)nc1 ZINC000678305578 530194161 /nfs/dbraw/zinc/19/41/61/530194161.db2.gz ABMGXBVLSUWMTN-OAHLLOKOSA-N 1 2 386.499 -0.333 20 0 GBADLO CC(C)(C)NS(=O)(=O)CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000679238010 530195167 /nfs/dbraw/zinc/19/51/67/530195167.db2.gz WBWKMZPUHXARKP-AWEZNQCLSA-N 1 2 377.507 -0.346 20 0 GBADLO CC(C)(C)NS(=O)(=O)CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000679238011 530195070 /nfs/dbraw/zinc/19/50/70/530195070.db2.gz WBWKMZPUHXARKP-CQSZACIVSA-N 1 2 377.507 -0.346 20 0 GBADLO COc1cc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)sc1S(N)(=O)=O ZINC000679317837 530195095 /nfs/dbraw/zinc/19/50/95/530195095.db2.gz CWVLITSOKLQWQP-UHFFFAOYSA-N 1 2 377.488 -0.067 20 0 GBADLO O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000679389773 530195592 /nfs/dbraw/zinc/19/55/92/530195592.db2.gz NFLKQTFNJSUWBK-HNNXBMFYSA-N 1 2 375.491 -0.638 20 0 GBADLO O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000679389774 530195788 /nfs/dbraw/zinc/19/57/88/530195788.db2.gz NFLKQTFNJSUWBK-OAHLLOKOSA-N 1 2 375.491 -0.638 20 0 GBADLO O=S(=O)([C@H]1CCC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000679436331 530195824 /nfs/dbraw/zinc/19/58/24/530195824.db2.gz ARDMQCXDWWTTTJ-CABCVRRESA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@H]1CCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000679436331 530195823 /nfs/dbraw/zinc/19/58/23/530195823.db2.gz ARDMQCXDWWTTTJ-CABCVRRESA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@H]1CCC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000679436332 530195564 /nfs/dbraw/zinc/19/55/64/530195564.db2.gz ARDMQCXDWWTTTJ-GJZGRUSLSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@H]1CCC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000679436332 530195562 /nfs/dbraw/zinc/19/55/62/530195562.db2.gz ARDMQCXDWWTTTJ-GJZGRUSLSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000679436333 530195504 /nfs/dbraw/zinc/19/55/04/530195504.db2.gz ARDMQCXDWWTTTJ-HUUCEWRRSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000679436333 530195502 /nfs/dbraw/zinc/19/55/02/530195502.db2.gz ARDMQCXDWWTTTJ-HUUCEWRRSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000679436334 530195727 /nfs/dbraw/zinc/19/57/27/530195727.db2.gz ARDMQCXDWWTTTJ-LSDHHAIUSA-N 1 2 380.532 -0.062 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1)N1CCOCC1 ZINC000679436334 530195725 /nfs/dbraw/zinc/19/57/25/530195725.db2.gz ARDMQCXDWWTTTJ-LSDHHAIUSA-N 1 2 380.532 -0.062 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(c2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000679470841 530195688 /nfs/dbraw/zinc/19/56/88/530195688.db2.gz VGNSTYGTEGULJF-SECBINFHSA-N 1 2 379.280 -0.006 20 0 GBADLO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000679473279 530195460 /nfs/dbraw/zinc/19/54/60/530195460.db2.gz UMSIUJLYWXDGGW-CABCVRRESA-N 1 2 389.499 -0.446 20 0 GBADLO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000679473280 530195736 /nfs/dbraw/zinc/19/57/36/530195736.db2.gz UMSIUJLYWXDGGW-GJZGRUSLSA-N 1 2 389.499 -0.446 20 0 GBADLO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000679473281 530195813 /nfs/dbraw/zinc/19/58/13/530195813.db2.gz UMSIUJLYWXDGGW-HUUCEWRRSA-N 1 2 389.499 -0.446 20 0 GBADLO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000679473282 530195793 /nfs/dbraw/zinc/19/57/93/530195793.db2.gz UMSIUJLYWXDGGW-LSDHHAIUSA-N 1 2 389.499 -0.446 20 0 GBADLO CC(C)OCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000680390740 530196735 /nfs/dbraw/zinc/19/67/35/530196735.db2.gz UVLLPMFSQXSTJM-UHFFFAOYSA-N 1 2 377.511 -0.769 20 0 GBADLO COCCN(C(=O)CN1CC[NH+](CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000680906763 530196947 /nfs/dbraw/zinc/19/69/47/530196947.db2.gz BUZRISWRJQPMAN-INIZCTEOSA-N 1 2 375.535 -0.078 20 0 GBADLO COCCN(C(=O)CN1CC[NH+](CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000680906764 530196782 /nfs/dbraw/zinc/19/67/82/530196782.db2.gz BUZRISWRJQPMAN-MRXNPFEDSA-N 1 2 375.535 -0.078 20 0 GBADLO CS(=O)(=O)NC1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CCCCC1 ZINC000680951860 530197534 /nfs/dbraw/zinc/19/75/34/530197534.db2.gz XPTYCBZOMMNLDE-UHFFFAOYSA-N 1 2 397.563 -0.120 20 0 GBADLO NS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)CCC[NH+]1CCOCC1)CC2 ZINC000680951907 530197509 /nfs/dbraw/zinc/19/75/09/530197509.db2.gz BIOGXZIDDDZWAS-UHFFFAOYSA-N 1 2 389.499 -0.251 20 0 GBADLO NS(=O)(=O)c1ccc(F)c(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000680951982 530197354 /nfs/dbraw/zinc/19/73/54/530197354.db2.gz FVHGCEDDSIVIRJ-UHFFFAOYSA-N 1 2 395.478 -0.385 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000681690140 530198509 /nfs/dbraw/zinc/19/85/09/530198509.db2.gz VKIQPOATGYKKHN-CHWSQXEVSA-N 1 2 391.515 -0.018 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000681690140 530198505 /nfs/dbraw/zinc/19/85/05/530198505.db2.gz VKIQPOATGYKKHN-CHWSQXEVSA-N 1 2 391.515 -0.018 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000681690141 530198518 /nfs/dbraw/zinc/19/85/18/530198518.db2.gz VKIQPOATGYKKHN-OLZOCXBDSA-N 1 2 391.515 -0.018 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000681690141 530198514 /nfs/dbraw/zinc/19/85/14/530198514.db2.gz VKIQPOATGYKKHN-OLZOCXBDSA-N 1 2 391.515 -0.018 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000681690142 530198342 /nfs/dbraw/zinc/19/83/42/530198342.db2.gz VKIQPOATGYKKHN-QWHCGFSZSA-N 1 2 391.515 -0.018 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000681690142 530198339 /nfs/dbraw/zinc/19/83/39/530198339.db2.gz VKIQPOATGYKKHN-QWHCGFSZSA-N 1 2 391.515 -0.018 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000681690143 530198439 /nfs/dbraw/zinc/19/84/39/530198439.db2.gz VKIQPOATGYKKHN-STQMWFEESA-N 1 2 391.515 -0.018 20 0 GBADLO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000681690143 530198435 /nfs/dbraw/zinc/19/84/35/530198435.db2.gz VKIQPOATGYKKHN-STQMWFEESA-N 1 2 391.515 -0.018 20 0 GBADLO COc1cc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)sc1S(N)(=O)=O ZINC000682010498 530199329 /nfs/dbraw/zinc/19/93/29/530199329.db2.gz LRNBAPIDWRKMOP-UHFFFAOYSA-N 1 2 377.488 -0.067 20 0 GBADLO COc1cc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)sc1S(N)(=O)=O ZINC000682010498 530199326 /nfs/dbraw/zinc/19/93/26/530199326.db2.gz LRNBAPIDWRKMOP-UHFFFAOYSA-N 1 2 377.488 -0.067 20 0 GBADLO CCN(C(=O)[C@@H](C)N1CC[N@@H+](CCO)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000682035506 530198940 /nfs/dbraw/zinc/19/89/40/530198940.db2.gz ZNXITZOQOAZRSL-CABCVRRESA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@@H](C)N1CC[N@H+](CCO)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000682035506 530198939 /nfs/dbraw/zinc/19/89/39/530198939.db2.gz ZNXITZOQOAZRSL-CABCVRRESA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@H](C)N1CC[N@@H+](CCO)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000682035512 530198948 /nfs/dbraw/zinc/19/89/48/530198948.db2.gz ZNXITZOQOAZRSL-GJZGRUSLSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@H](C)N1CC[N@H+](CCO)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000682035512 530198946 /nfs/dbraw/zinc/19/89/46/530198946.db2.gz ZNXITZOQOAZRSL-GJZGRUSLSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@@H](C)N1CC[N@@H+](CCO)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000682035514 530198872 /nfs/dbraw/zinc/19/88/72/530198872.db2.gz ZNXITZOQOAZRSL-HUUCEWRRSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@@H](C)N1CC[N@H+](CCO)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000682035514 530198871 /nfs/dbraw/zinc/19/88/71/530198871.db2.gz ZNXITZOQOAZRSL-HUUCEWRRSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@H](C)N1CC[N@@H+](CCO)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000682035516 530198956 /nfs/dbraw/zinc/19/89/56/530198956.db2.gz ZNXITZOQOAZRSL-LSDHHAIUSA-N 1 2 375.535 -0.201 20 0 GBADLO CCN(C(=O)[C@H](C)N1CC[N@H+](CCO)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000682035516 530198954 /nfs/dbraw/zinc/19/89/54/530198954.db2.gz ZNXITZOQOAZRSL-LSDHHAIUSA-N 1 2 375.535 -0.201 20 0 GBADLO CNS(=O)(=O)CCC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000682369699 530199032 /nfs/dbraw/zinc/19/90/32/530199032.db2.gz MURJEBSJKFAOHV-UHFFFAOYSA-N 1 2 376.504 -0.605 20 0 GBADLO NS(=O)(=O)c1ccccc1N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000682370818 530198885 /nfs/dbraw/zinc/19/88/85/530198885.db2.gz HGKGJHRLPMVYRJ-UHFFFAOYSA-N 1 2 388.515 -0.509 20 0 GBADLO CCS(=O)(=O)NCC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000682371433 530199219 /nfs/dbraw/zinc/19/92/19/530199219.db2.gz WHFKFFFINXLYBX-UHFFFAOYSA-N 1 2 376.504 -0.605 20 0 GBADLO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000682371489 530199166 /nfs/dbraw/zinc/19/91/66/530199166.db2.gz VFOVUFRIBGGKDX-UHFFFAOYSA-N 1 2 390.531 -0.263 20 0 GBADLO CCS(=O)(=O)NCCC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000682372376 530199149 /nfs/dbraw/zinc/19/91/49/530199149.db2.gz SRTIQXUORJMZPY-UHFFFAOYSA-N 1 2 390.531 -0.215 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)c2ccc(NCCC3CS(=O)(=O)C3)nc2)CC1 ZINC000682469879 530199488 /nfs/dbraw/zinc/19/94/88/530199488.db2.gz RYFXCXFOZHLFDM-UHFFFAOYSA-N 1 2 388.515 -0.136 20 0 GBADLO Cn1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1 ZINC000683124422 1072136190 /nfs/dbraw/zinc/13/61/90/1072136190.db2.gz LTEVSHFESQGCLT-AWEZNQCLSA-N 1 2 385.472 -0.003 20 0 GBADLO Cn1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)n1 ZINC000683124426 1072136435 /nfs/dbraw/zinc/13/64/35/1072136435.db2.gz LTEVSHFESQGCLT-CQSZACIVSA-N 1 2 385.472 -0.003 20 0 GBADLO CCC[C@H](C)S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000683185947 530200041 /nfs/dbraw/zinc/20/00/41/530200041.db2.gz GICWDKGEIJQALG-AWEZNQCLSA-N 1 2 382.552 -0.385 20 0 GBADLO CCC[C@@H](C)S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000683185948 530200374 /nfs/dbraw/zinc/20/03/74/530200374.db2.gz GICWDKGEIJQALG-CQSZACIVSA-N 1 2 382.552 -0.385 20 0 GBADLO CN(C)C(=O)CN1CCN(C(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000683226286 1072185949 /nfs/dbraw/zinc/18/59/49/1072185949.db2.gz AEVCVEYOZQLJQV-UHFFFAOYSA-N 1 2 376.505 -0.116 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000683382978 1072273213 /nfs/dbraw/zinc/27/32/13/1072273213.db2.gz FJFCJUNIUQLORD-AWEZNQCLSA-N 1 2 384.506 -0.244 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000683382978 1072273209 /nfs/dbraw/zinc/27/32/09/1072273209.db2.gz FJFCJUNIUQLORD-AWEZNQCLSA-N 1 2 384.506 -0.244 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000683382982 1072273625 /nfs/dbraw/zinc/27/36/25/1072273625.db2.gz FJFCJUNIUQLORD-CQSZACIVSA-N 1 2 384.506 -0.244 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000683382982 1072273618 /nfs/dbraw/zinc/27/36/18/1072273618.db2.gz FJFCJUNIUQLORD-CQSZACIVSA-N 1 2 384.506 -0.244 20 0 GBADLO CS(=O)(=O)N1CCN(CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000683386219 1072274780 /nfs/dbraw/zinc/27/47/80/1072274780.db2.gz RIQSBSHOZRLKCL-HNNXBMFYSA-N 1 2 398.533 -0.183 20 0 GBADLO CS(=O)(=O)N1CCN(CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000683386220 1072274301 /nfs/dbraw/zinc/27/43/01/1072274301.db2.gz RIQSBSHOZRLKCL-OAHLLOKOSA-N 1 2 398.533 -0.183 20 0 GBADLO CCOC1CC(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)([NH+]2CCOCC2)C1 ZINC000683456966 1072302805 /nfs/dbraw/zinc/30/28/05/1072302805.db2.gz UCYPIIOBUIPMSY-CKDBGZEDSA-N 1 2 389.518 -0.204 20 0 GBADLO CCOC1CC(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)([NH+]2CCOCC2)C1 ZINC000683456967 1072302392 /nfs/dbraw/zinc/30/23/92/1072302392.db2.gz UCYPIIOBUIPMSY-ISXOHVOVSA-N 1 2 389.518 -0.204 20 0 GBADLO CC(C)(C(N)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000683465897 1072302553 /nfs/dbraw/zinc/30/25/53/1072302553.db2.gz GRMBWRNURHSIQK-UHFFFAOYSA-N 1 2 383.474 -0.839 20 0 GBADLO CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000683483576 1072302752 /nfs/dbraw/zinc/30/27/52/1072302752.db2.gz COSSOTNPUPKULN-CYBMUJFWSA-N 1 2 376.461 -0.090 20 0 GBADLO CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000683483576 1072302747 /nfs/dbraw/zinc/30/27/47/1072302747.db2.gz COSSOTNPUPKULN-CYBMUJFWSA-N 1 2 376.461 -0.090 20 0 GBADLO CC(C)(C(N)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000683483577 1072302536 /nfs/dbraw/zinc/30/25/36/1072302536.db2.gz COSSOTNPUPKULN-ZDUSSCGKSA-N 1 2 376.461 -0.090 20 0 GBADLO CC(C)(C(N)=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000683483577 1072302527 /nfs/dbraw/zinc/30/25/27/1072302527.db2.gz COSSOTNPUPKULN-ZDUSSCGKSA-N 1 2 376.461 -0.090 20 0 GBADLO NS(=O)(=O)[C@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000683543871 530200466 /nfs/dbraw/zinc/20/04/66/530200466.db2.gz GGDVGJASJFFPMZ-GXTWGEPZSA-N 1 2 378.520 -0.733 20 0 GBADLO NS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000683543874 530200761 /nfs/dbraw/zinc/20/07/61/530200761.db2.gz GGDVGJASJFFPMZ-JSGCOSHPSA-N 1 2 378.520 -0.733 20 0 GBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000683543876 530200869 /nfs/dbraw/zinc/20/08/69/530200869.db2.gz GGDVGJASJFFPMZ-OCCSQVGLSA-N 1 2 378.520 -0.733 20 0 GBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000683543879 530200727 /nfs/dbraw/zinc/20/07/27/530200727.db2.gz GGDVGJASJFFPMZ-TZMCWYRMSA-N 1 2 378.520 -0.733 20 0 GBADLO Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc1 ZINC000683658066 1072335542 /nfs/dbraw/zinc/33/55/42/1072335542.db2.gz GCNLESBMKYAPKJ-UHFFFAOYSA-N 1 2 389.456 -0.278 20 0 GBADLO COC1(CO)CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000683675809 1072340577 /nfs/dbraw/zinc/34/05/77/1072340577.db2.gz JGGVIGDSPSZCJT-UHFFFAOYSA-N 1 2 382.461 -0.559 20 0 GBADLO CN1CCC2(CC[NH+](CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)CC2)C1=O ZINC000683675822 1072340112 /nfs/dbraw/zinc/34/01/12/1072340112.db2.gz LYYOEXPUPGOVRF-UHFFFAOYSA-N 1 2 375.429 -0.007 20 0 GBADLO CS(=O)(=O)N1CCN(CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000683981225 1072471348 /nfs/dbraw/zinc/47/13/48/1072471348.db2.gz CZKGKQOQNHVDLS-MRXNPFEDSA-N 1 2 397.501 -0.179 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000683981974 530201281 /nfs/dbraw/zinc/20/12/81/530201281.db2.gz GHURAKFTCZSYQT-AWEZNQCLSA-N 1 2 394.563 -0.273 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000683981978 530201054 /nfs/dbraw/zinc/20/10/54/530201054.db2.gz GHURAKFTCZSYQT-CQSZACIVSA-N 1 2 394.563 -0.273 20 0 GBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000684069596 1072499375 /nfs/dbraw/zinc/49/93/75/1072499375.db2.gz QDRPEHMWALQDAZ-UHFFFAOYSA-N 1 2 391.472 -0.242 20 0 GBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000684069596 1072499368 /nfs/dbraw/zinc/49/93/68/1072499368.db2.gz QDRPEHMWALQDAZ-UHFFFAOYSA-N 1 2 391.472 -0.242 20 0 GBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000684072152 1072500065 /nfs/dbraw/zinc/50/00/65/1072500065.db2.gz HRJRFAWZVLSVEG-HNNXBMFYSA-N 1 2 380.470 -0.108 20 0 GBADLO CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000684072152 1072500062 /nfs/dbraw/zinc/50/00/62/1072500062.db2.gz HRJRFAWZVLSVEG-HNNXBMFYSA-N 1 2 380.470 -0.108 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000684072153 1072500395 /nfs/dbraw/zinc/50/03/95/1072500395.db2.gz HRJRFAWZVLSVEG-OAHLLOKOSA-N 1 2 380.470 -0.108 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000684072153 1072500380 /nfs/dbraw/zinc/50/03/80/1072500380.db2.gz HRJRFAWZVLSVEG-OAHLLOKOSA-N 1 2 380.470 -0.108 20 0 GBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)CC1 ZINC000684152701 1072540344 /nfs/dbraw/zinc/54/03/44/1072540344.db2.gz PHDVWAICEASMQK-UHFFFAOYSA-N 1 2 399.451 -0.197 20 0 GBADLO NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)o1 ZINC000684195716 1072565677 /nfs/dbraw/zinc/56/56/77/1072565677.db2.gz QECNTQZLBUOPDP-GFCCVEGCSA-N 1 2 394.457 -0.377 20 0 GBADLO NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)o1 ZINC000684195741 1072565702 /nfs/dbraw/zinc/56/57/02/1072565702.db2.gz QECNTQZLBUOPDP-LBPRGKRZSA-N 1 2 394.457 -0.377 20 0 GBADLO Cc1nc(S(=O)(=O)N2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)cn1C ZINC000684196007 1072565027 /nfs/dbraw/zinc/56/50/27/1072565027.db2.gz CIJOENGJICJHNA-AWEZNQCLSA-N 1 2 379.490 -0.027 20 0 GBADLO Cc1nc(S(=O)(=O)N2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)cn1C ZINC000684196008 1072565239 /nfs/dbraw/zinc/56/52/39/1072565239.db2.gz CIJOENGJICJHNA-CQSZACIVSA-N 1 2 379.490 -0.027 20 0 GBADLO CS(=O)(=O)C1(CNC(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000684379004 1072154284 /nfs/dbraw/zinc/15/42/84/1072154284.db2.gz AGSMOYIIJOXNGM-HNNXBMFYSA-N 1 2 388.534 -0.341 20 0 GBADLO CS(=O)(=O)C1(CNC(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000684379006 1072154507 /nfs/dbraw/zinc/15/45/07/1072154507.db2.gz AGSMOYIIJOXNGM-OAHLLOKOSA-N 1 2 388.534 -0.341 20 0 GBADLO CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000684406267 1072164264 /nfs/dbraw/zinc/16/42/64/1072164264.db2.gz XDPFQVKDCKWCPZ-INIZCTEOSA-N 1 2 388.534 -0.677 20 0 GBADLO CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000684406267 1072164261 /nfs/dbraw/zinc/16/42/61/1072164261.db2.gz XDPFQVKDCKWCPZ-INIZCTEOSA-N 1 2 388.534 -0.677 20 0 GBADLO CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000684406268 1072164348 /nfs/dbraw/zinc/16/43/48/1072164348.db2.gz XDPFQVKDCKWCPZ-MRXNPFEDSA-N 1 2 388.534 -0.677 20 0 GBADLO CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000684406268 1072164343 /nfs/dbraw/zinc/16/43/43/1072164343.db2.gz XDPFQVKDCKWCPZ-MRXNPFEDSA-N 1 2 388.534 -0.677 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1C ZINC000684583838 530201818 /nfs/dbraw/zinc/20/18/18/530201818.db2.gz FSQLUEWPVKEHAC-GXTWGEPZSA-N 1 2 391.515 -0.099 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1C ZINC000684583838 530201817 /nfs/dbraw/zinc/20/18/17/530201817.db2.gz FSQLUEWPVKEHAC-GXTWGEPZSA-N 1 2 391.515 -0.099 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1C ZINC000684583844 530201649 /nfs/dbraw/zinc/20/16/49/530201649.db2.gz FSQLUEWPVKEHAC-JSGCOSHPSA-N 1 2 391.515 -0.099 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1C ZINC000684583844 530201645 /nfs/dbraw/zinc/20/16/45/530201645.db2.gz FSQLUEWPVKEHAC-JSGCOSHPSA-N 1 2 391.515 -0.099 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1C ZINC000684583845 530201824 /nfs/dbraw/zinc/20/18/24/530201824.db2.gz FSQLUEWPVKEHAC-OCCSQVGLSA-N 1 2 391.515 -0.099 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1C ZINC000684583845 530201822 /nfs/dbraw/zinc/20/18/22/530201822.db2.gz FSQLUEWPVKEHAC-OCCSQVGLSA-N 1 2 391.515 -0.099 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1C ZINC000684583846 530201483 /nfs/dbraw/zinc/20/14/83/530201483.db2.gz FSQLUEWPVKEHAC-TZMCWYRMSA-N 1 2 391.515 -0.099 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1C ZINC000684583846 530201479 /nfs/dbraw/zinc/20/14/79/530201479.db2.gz FSQLUEWPVKEHAC-TZMCWYRMSA-N 1 2 391.515 -0.099 20 0 GBADLO C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000684584819 530201657 /nfs/dbraw/zinc/20/16/57/530201657.db2.gz SKFLNGZTXMENGC-GXTWGEPZSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000684584819 530201654 /nfs/dbraw/zinc/20/16/54/530201654.db2.gz SKFLNGZTXMENGC-GXTWGEPZSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684584820 530201748 /nfs/dbraw/zinc/20/17/48/530201748.db2.gz SKFLNGZTXMENGC-JSGCOSHPSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000684584820 530201746 /nfs/dbraw/zinc/20/17/46/530201746.db2.gz SKFLNGZTXMENGC-JSGCOSHPSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684584821 530201442 /nfs/dbraw/zinc/20/14/42/530201442.db2.gz SKFLNGZTXMENGC-OCCSQVGLSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000684584821 530201440 /nfs/dbraw/zinc/20/14/40/530201440.db2.gz SKFLNGZTXMENGC-OCCSQVGLSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000684584822 530202398 /nfs/dbraw/zinc/20/23/98/530202398.db2.gz SKFLNGZTXMENGC-TZMCWYRMSA-N 1 2 383.536 -0.704 20 0 GBADLO C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000684584822 530202396 /nfs/dbraw/zinc/20/23/96/530202396.db2.gz SKFLNGZTXMENGC-TZMCWYRMSA-N 1 2 383.536 -0.704 20 0 GBADLO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000684585670 530202323 /nfs/dbraw/zinc/20/23/23/530202323.db2.gz FQCSACPBZJIVGB-HNNXBMFYSA-N 1 2 395.547 -0.606 20 0 GBADLO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000684585673 530202333 /nfs/dbraw/zinc/20/23/33/530202333.db2.gz FQCSACPBZJIVGB-OAHLLOKOSA-N 1 2 395.547 -0.606 20 0 GBADLO CC1(C)CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC[N@H+]1CCO ZINC000684590119 530202081 /nfs/dbraw/zinc/20/20/81/530202081.db2.gz RJMVQTGTPMGPBP-UHFFFAOYSA-N 1 2 397.563 -0.624 20 0 GBADLO CC1(C)CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1CCO ZINC000684590119 530202078 /nfs/dbraw/zinc/20/20/78/530202078.db2.gz RJMVQTGTPMGPBP-UHFFFAOYSA-N 1 2 397.563 -0.624 20 0 GBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC(CC(N)=O)C2)CC1 ZINC000684647415 1072282617 /nfs/dbraw/zinc/28/26/17/1072282617.db2.gz DVLVDWYQUZKETN-UHFFFAOYSA-N 1 2 387.440 -0.654 20 0 GBADLO COc1cccnc1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000684830989 1072340567 /nfs/dbraw/zinc/34/05/67/1072340567.db2.gz QNWLEBMHPZLEBE-UHFFFAOYSA-N 1 2 397.501 -0.731 20 0 GBADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C)CCC3)CC2)CC1 ZINC000684841364 530202387 /nfs/dbraw/zinc/20/23/87/530202387.db2.gz WRPPJGGFAGLEDT-UHFFFAOYSA-N 1 2 394.563 -0.384 20 0 GBADLO Cc1nc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)CC2)cc[nH+]1 ZINC000684877684 1072356584 /nfs/dbraw/zinc/35/65/84/1072356584.db2.gz VOVDKENTBARWCJ-AWEZNQCLSA-N 1 2 376.461 -0.160 20 0 GBADLO Cc1nc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC2)cc[nH+]1 ZINC000684877687 1072356269 /nfs/dbraw/zinc/35/62/69/1072356269.db2.gz VOVDKENTBARWCJ-CQSZACIVSA-N 1 2 376.461 -0.160 20 0 GBADLO CNC(=O)c1c(C)[nH]nc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000684999306 1072389934 /nfs/dbraw/zinc/38/99/34/1072389934.db2.gz FLJDDYNPRUBLCP-GFCCVEGCSA-N 1 2 378.433 -0.803 20 0 GBADLO CNC(=O)c1c(C)[nH]nc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000684999320 1072390457 /nfs/dbraw/zinc/39/04/57/1072390457.db2.gz FLJDDYNPRUBLCP-LBPRGKRZSA-N 1 2 378.433 -0.803 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)CC1 ZINC000685027137 1072399867 /nfs/dbraw/zinc/39/98/67/1072399867.db2.gz KINKOKYIRYFUFG-GFCCVEGCSA-N 1 2 376.413 -0.495 20 0 GBADLO COCC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000685034023 1072404318 /nfs/dbraw/zinc/40/43/18/1072404318.db2.gz KIENAWPDUJAZDG-AWEZNQCLSA-N 1 2 392.456 -0.474 20 0 GBADLO COCC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000685034024 1072404343 /nfs/dbraw/zinc/40/43/43/1072404343.db2.gz KIENAWPDUJAZDG-CQSZACIVSA-N 1 2 392.456 -0.474 20 0 GBADLO COCCn1cc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000685078013 1072432596 /nfs/dbraw/zinc/43/25/96/1072432596.db2.gz VJUYRVAQJXPTLV-INIZCTEOSA-N 1 2 379.461 -0.531 20 0 GBADLO COCCn1cc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000685078014 1072432603 /nfs/dbraw/zinc/43/26/03/1072432603.db2.gz VJUYRVAQJXPTLV-MRXNPFEDSA-N 1 2 379.461 -0.531 20 0 GBADLO CN(C)c1nccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000685093990 1072440628 /nfs/dbraw/zinc/44/06/28/1072440628.db2.gz MNAMNPDDQQRZNP-HNNXBMFYSA-N 1 2 376.461 -0.518 20 0 GBADLO CN(C)c1nccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000685093991 1072440697 /nfs/dbraw/zinc/44/06/97/1072440697.db2.gz MNAMNPDDQQRZNP-OAHLLOKOSA-N 1 2 376.461 -0.518 20 0 GBADLO CN(C)c1nccc(CNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC000685095750 1072442405 /nfs/dbraw/zinc/44/24/05/1072442405.db2.gz USDNEKXIBRXOJI-UHFFFAOYSA-N 1 2 378.477 -0.272 20 0 GBADLO CN(C)c1nccc(CNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000685095750 1072442396 /nfs/dbraw/zinc/44/23/96/1072442396.db2.gz USDNEKXIBRXOJI-UHFFFAOYSA-N 1 2 378.477 -0.272 20 0 GBADLO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C(=O)N1c1cnn(C)c1 ZINC000685170107 1072484640 /nfs/dbraw/zinc/48/46/40/1072484640.db2.gz KZRJUILUKURMHE-DOMZBBRYSA-N 1 2 395.423 -0.006 20 0 GBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C(=O)N1c1cnn(C)c1 ZINC000685170108 1072484310 /nfs/dbraw/zinc/48/43/10/1072484310.db2.gz KZRJUILUKURMHE-IUODEOHRSA-N 1 2 395.423 -0.006 20 0 GBADLO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C(=O)N1c1cnn(C)c1 ZINC000685170109 1072484343 /nfs/dbraw/zinc/48/43/43/1072484343.db2.gz KZRJUILUKURMHE-SWLSCSKDSA-N 1 2 395.423 -0.006 20 0 GBADLO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C(=O)N1c1cnn(C)c1 ZINC000685170110 1072484296 /nfs/dbraw/zinc/48/42/96/1072484296.db2.gz KZRJUILUKURMHE-WFASDCNBSA-N 1 2 395.423 -0.006 20 0 GBADLO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)C(=O)N1c1cnn(C)c1 ZINC000685172344 1072488468 /nfs/dbraw/zinc/48/84/68/1072488468.db2.gz KWKGKPIYTIEBSN-DZGCQCFKSA-N 1 2 387.444 -0.225 20 0 GBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)C(=O)N1c1cnn(C)c1 ZINC000685172348 1072488322 /nfs/dbraw/zinc/48/83/22/1072488322.db2.gz KWKGKPIYTIEBSN-HIFRSBDPSA-N 1 2 387.444 -0.225 20 0 GBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)C(=O)N1c1cnn(C)c1 ZINC000685172350 1072488484 /nfs/dbraw/zinc/48/84/84/1072488484.db2.gz KWKGKPIYTIEBSN-UKRRQHHQSA-N 1 2 387.444 -0.225 20 0 GBADLO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)C(=O)N1c1cnn(C)c1 ZINC000685172358 1072488102 /nfs/dbraw/zinc/48/81/02/1072488102.db2.gz KWKGKPIYTIEBSN-ZFWWWQNUSA-N 1 2 387.444 -0.225 20 0 GBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C(=O)N1c1cnn(C)c1 ZINC000685173644 1072490034 /nfs/dbraw/zinc/49/00/34/1072490034.db2.gz RNLGXJBDEZEASO-IPYPFGDCSA-N 1 2 399.455 -0.220 20 0 GBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C(=O)N1c1cnn(C)c1 ZINC000685173647 1072489948 /nfs/dbraw/zinc/48/99/48/1072489948.db2.gz RNLGXJBDEZEASO-NFAWXSAZSA-N 1 2 399.455 -0.220 20 0 GBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C(=O)N1c1cnn(C)c1 ZINC000685173650 1072489823 /nfs/dbraw/zinc/48/98/23/1072489823.db2.gz RNLGXJBDEZEASO-UMVBOHGHSA-N 1 2 399.455 -0.220 20 0 GBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C(=O)N1c1cnn(C)c1 ZINC000685173654 1072490092 /nfs/dbraw/zinc/49/00/92/1072490092.db2.gz RNLGXJBDEZEASO-VNHYZAJKSA-N 1 2 399.455 -0.220 20 0 GBADLO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2)C(=O)N1c1cnn(C)c1 ZINC000685175796 1072490518 /nfs/dbraw/zinc/49/05/18/1072490518.db2.gz PANCROKIRASAMG-DZGCQCFKSA-N 1 2 387.444 -0.177 20 0 GBADLO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2)C(=O)N1c1cnn(C)c1 ZINC000685175797 1072490742 /nfs/dbraw/zinc/49/07/42/1072490742.db2.gz PANCROKIRASAMG-HIFRSBDPSA-N 1 2 387.444 -0.177 20 0 GBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2)C(=O)N1c1cnn(C)c1 ZINC000685175798 1072490754 /nfs/dbraw/zinc/49/07/54/1072490754.db2.gz PANCROKIRASAMG-UKRRQHHQSA-N 1 2 387.444 -0.177 20 0 GBADLO C[C@H]1C[C@H](NC(=O)C(=O)NCCCCn2cc[nH+]c2)C(=O)N1c1cnn(C)c1 ZINC000685175799 1072490561 /nfs/dbraw/zinc/49/05/61/1072490561.db2.gz PANCROKIRASAMG-ZFWWWQNUSA-N 1 2 387.444 -0.177 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000685176812 1072492176 /nfs/dbraw/zinc/49/21/76/1072492176.db2.gz AVXRZQPJKYMIEF-KRWDZBQOSA-N 1 2 393.488 -0.234 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000685176813 1072492279 /nfs/dbraw/zinc/49/22/79/1072492279.db2.gz AVXRZQPJKYMIEF-QGZVFWFLSA-N 1 2 393.488 -0.234 20 0 GBADLO CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1(C)C ZINC000685181598 1072494140 /nfs/dbraw/zinc/49/41/40/1072494140.db2.gz OOACMMGAXWBOOJ-QLFBSQMISA-N 1 2 380.489 -0.319 20 0 GBADLO CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1(C)C ZINC000685181598 1072494109 /nfs/dbraw/zinc/49/41/09/1072494109.db2.gz OOACMMGAXWBOOJ-QLFBSQMISA-N 1 2 380.489 -0.319 20 0 GBADLO CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1(C)C ZINC000685181600 1072494263 /nfs/dbraw/zinc/49/42/63/1072494263.db2.gz OOACMMGAXWBOOJ-RBSFLKMASA-N 1 2 380.489 -0.319 20 0 GBADLO CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1(C)C ZINC000685181600 1072494257 /nfs/dbraw/zinc/49/42/57/1072494257.db2.gz OOACMMGAXWBOOJ-RBSFLKMASA-N 1 2 380.489 -0.319 20 0 GBADLO CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1(C)C ZINC000685181602 1072494175 /nfs/dbraw/zinc/49/41/75/1072494175.db2.gz OOACMMGAXWBOOJ-RRFJBIMHSA-N 1 2 380.489 -0.319 20 0 GBADLO CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1(C)C ZINC000685181602 1072494164 /nfs/dbraw/zinc/49/41/64/1072494164.db2.gz OOACMMGAXWBOOJ-RRFJBIMHSA-N 1 2 380.489 -0.319 20 0 GBADLO CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1(C)C ZINC000685181604 1072494245 /nfs/dbraw/zinc/49/42/45/1072494245.db2.gz OOACMMGAXWBOOJ-SOUVJXGZSA-N 1 2 380.489 -0.319 20 0 GBADLO CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1(C)C ZINC000685181604 1072494236 /nfs/dbraw/zinc/49/42/36/1072494236.db2.gz OOACMMGAXWBOOJ-SOUVJXGZSA-N 1 2 380.489 -0.319 20 0 GBADLO CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH+]3CCN(C)CC3)C2)C1(C)C ZINC000685184062 1072496267 /nfs/dbraw/zinc/49/62/67/1072496267.db2.gz PKKYFGQCTZNULN-ARFHVFGLSA-N 1 2 382.505 -0.609 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000685215548 1072509263 /nfs/dbraw/zinc/50/92/63/1072509263.db2.gz NWWJTHKYROADIF-ARFHVFGLSA-N 1 2 380.489 -0.269 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000685215549 1072508930 /nfs/dbraw/zinc/50/89/30/1072508930.db2.gz NWWJTHKYROADIF-BZUAXINKSA-N 1 2 380.489 -0.269 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000685215550 1072509056 /nfs/dbraw/zinc/50/90/56/1072509056.db2.gz NWWJTHKYROADIF-OAGGEKHMSA-N 1 2 380.489 -0.269 20 0 GBADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000685215551 1072508962 /nfs/dbraw/zinc/50/89/62/1072508962.db2.gz NWWJTHKYROADIF-XHSDSOJGSA-N 1 2 380.489 -0.269 20 0 GBADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC[C@H](n3cc[nH+]c3)C1)CC2 ZINC000685314338 1072566821 /nfs/dbraw/zinc/56/68/21/1072566821.db2.gz HGLMEOIGDZFQIM-KBPBESRZSA-N 1 2 387.444 -0.084 20 0 GBADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC[C@H](n3cc[nH+]c3)C1)CC2 ZINC000685314339 1072566627 /nfs/dbraw/zinc/56/66/27/1072566627.db2.gz HGLMEOIGDZFQIM-KGLIPLIRSA-N 1 2 387.444 -0.084 20 0 GBADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000685314340 1072566675 /nfs/dbraw/zinc/56/66/75/1072566675.db2.gz HGLMEOIGDZFQIM-UONOGXRCSA-N 1 2 387.444 -0.084 20 0 GBADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000685314341 1072566520 /nfs/dbraw/zinc/56/65/20/1072566520.db2.gz HGLMEOIGDZFQIM-ZIAGYGMSSA-N 1 2 387.444 -0.084 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000685323960 1072575686 /nfs/dbraw/zinc/57/56/86/1072575686.db2.gz PNBGJUUWPQTHDI-CVEARBPZSA-N 1 2 385.505 -0.151 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000685323961 1072575673 /nfs/dbraw/zinc/57/56/73/1072575673.db2.gz PNBGJUUWPQTHDI-HOTGVXAUSA-N 1 2 385.505 -0.151 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000685323962 1072575770 /nfs/dbraw/zinc/57/57/70/1072575770.db2.gz PNBGJUUWPQTHDI-HZPDHXFCSA-N 1 2 385.505 -0.151 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000685323963 1072575651 /nfs/dbraw/zinc/57/56/51/1072575651.db2.gz PNBGJUUWPQTHDI-JKSUJKDBSA-N 1 2 385.505 -0.151 20 0 GBADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000685328794 1072578978 /nfs/dbraw/zinc/57/89/78/1072578978.db2.gz XEEPZTRRFVFODF-UHFFFAOYSA-N 1 2 394.497 -0.662 20 0 GBADLO C[N@H+]1CCN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@H](c2ccccc2)C1 ZINC000685329401 1072579638 /nfs/dbraw/zinc/57/96/38/1072579638.db2.gz PPFXATPUPGUHGC-INIZCTEOSA-N 1 2 394.497 -0.491 20 0 GBADLO C[N@@H+]1CCN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@H](c2ccccc2)C1 ZINC000685329401 1072579630 /nfs/dbraw/zinc/57/96/30/1072579630.db2.gz PPFXATPUPGUHGC-INIZCTEOSA-N 1 2 394.497 -0.491 20 0 GBADLO C[N@H+]1CCN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@@H](c2ccccc2)C1 ZINC000685329402 1072579123 /nfs/dbraw/zinc/57/91/23/1072579123.db2.gz PPFXATPUPGUHGC-MRXNPFEDSA-N 1 2 394.497 -0.491 20 0 GBADLO C[N@@H+]1CCN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[C@@H](c2ccccc2)C1 ZINC000685329402 1072579116 /nfs/dbraw/zinc/57/91/16/1072579116.db2.gz PPFXATPUPGUHGC-MRXNPFEDSA-N 1 2 394.497 -0.491 20 0 GBADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000685329955 1072577637 /nfs/dbraw/zinc/57/76/37/1072577637.db2.gz BHGUNRSAZDKMHH-CQSZACIVSA-N 1 2 382.442 -0.931 20 0 GBADLO CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1(C)C ZINC000685335442 1072579652 /nfs/dbraw/zinc/57/96/52/1072579652.db2.gz VQGKWFLPIWGMRW-ARFHVFGLSA-N 1 2 385.505 -0.154 20 0 GBADLO CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1(C)C ZINC000685335443 1072579309 /nfs/dbraw/zinc/57/93/09/1072579309.db2.gz VQGKWFLPIWGMRW-BZUAXINKSA-N 1 2 385.505 -0.154 20 0 GBADLO CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1(C)C ZINC000685335444 1072579244 /nfs/dbraw/zinc/57/92/44/1072579244.db2.gz VQGKWFLPIWGMRW-HRCADAONSA-N 1 2 385.505 -0.154 20 0 GBADLO CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1(C)C ZINC000685335445 1072579667 /nfs/dbraw/zinc/57/96/67/1072579667.db2.gz VQGKWFLPIWGMRW-OWCLPIDISA-N 1 2 385.505 -0.154 20 0 GBADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000685358426 1072591586 /nfs/dbraw/zinc/59/15/86/1072591586.db2.gz FWFQYGUERNUIOB-CYBMUJFWSA-N 1 2 376.461 -0.034 20 0 GBADLO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000685358427 1072591872 /nfs/dbraw/zinc/59/18/72/1072591872.db2.gz FWFQYGUERNUIOB-ZDUSSCGKSA-N 1 2 376.461 -0.034 20 0 GBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000685358583 1072591539 /nfs/dbraw/zinc/59/15/39/1072591539.db2.gz YEAAQAWOGDRPTK-KBPBESRZSA-N 1 2 375.429 -0.836 20 0 GBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000685358584 1072591734 /nfs/dbraw/zinc/59/17/34/1072591734.db2.gz YEAAQAWOGDRPTK-KGLIPLIRSA-N 1 2 375.429 -0.836 20 0 GBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000685358585 1072591468 /nfs/dbraw/zinc/59/14/68/1072591468.db2.gz YEAAQAWOGDRPTK-UONOGXRCSA-N 1 2 375.429 -0.836 20 0 GBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000685358586 1072591777 /nfs/dbraw/zinc/59/17/77/1072591777.db2.gz YEAAQAWOGDRPTK-ZIAGYGMSSA-N 1 2 375.429 -0.836 20 0 GBADLO COc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)ncn1 ZINC000685359072 1072591953 /nfs/dbraw/zinc/59/19/53/1072591953.db2.gz LRESTOUXBHKUGX-CYBMUJFWSA-N 1 2 385.428 -0.539 20 0 GBADLO COc1cc(N2CCN(C(=O)C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)ncn1 ZINC000685359073 1072591527 /nfs/dbraw/zinc/59/15/27/1072591527.db2.gz LRESTOUXBHKUGX-ZDUSSCGKSA-N 1 2 385.428 -0.539 20 0 GBADLO CCc1cnccc1[C@@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000685398974 1072593571 /nfs/dbraw/zinc/59/35/71/1072593571.db2.gz MKSXTXFXGVECQJ-GDBMZVCRSA-N 1 2 378.473 -0.027 20 0 GBADLO CCc1cnccc1[C@H](C)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000685398975 1072593091 /nfs/dbraw/zinc/59/30/91/1072593091.db2.gz MKSXTXFXGVECQJ-GOEBONIOSA-N 1 2 378.473 -0.027 20 0 GBADLO CCc1cnccc1[C@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000685398976 1072593112 /nfs/dbraw/zinc/59/31/12/1072593112.db2.gz MKSXTXFXGVECQJ-HOCLYGCPSA-N 1 2 378.473 -0.027 20 0 GBADLO CCc1cnccc1[C@@H](C)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000685398977 1072593373 /nfs/dbraw/zinc/59/33/73/1072593373.db2.gz MKSXTXFXGVECQJ-ZBFHGGJFSA-N 1 2 378.473 -0.027 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000685404141 1072593441 /nfs/dbraw/zinc/59/34/41/1072593441.db2.gz ANCZNEQVKPEZHX-KGLIPLIRSA-N 1 2 383.474 -0.413 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000685404142 1072593389 /nfs/dbraw/zinc/59/33/89/1072593389.db2.gz ANCZNEQVKPEZHX-ZIAGYGMSSA-N 1 2 383.474 -0.413 20 0 GBADLO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685430566 1072594445 /nfs/dbraw/zinc/59/44/45/1072594445.db2.gz HGFGHTYADOSJTN-AWEZNQCLSA-N 1 2 393.488 -0.070 20 0 GBADLO CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685430567 1072594310 /nfs/dbraw/zinc/59/43/10/1072594310.db2.gz HGFGHTYADOSJTN-CQSZACIVSA-N 1 2 393.488 -0.070 20 0 GBADLO CCNC(=O)C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000685450847 1072595251 /nfs/dbraw/zinc/59/52/51/1072595251.db2.gz AZHFIPVIRIZDCM-HNNXBMFYSA-N 1 2 380.489 -0.268 20 0 GBADLO CCNC(=O)C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000685450848 1072595669 /nfs/dbraw/zinc/59/56/69/1072595669.db2.gz AZHFIPVIRIZDCM-OAHLLOKOSA-N 1 2 380.489 -0.268 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccnn1C ZINC000685478852 1072596521 /nfs/dbraw/zinc/59/65/21/1072596521.db2.gz FESXYUSMTRBXPI-CVEARBPZSA-N 1 2 395.504 -0.573 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccnn1C ZINC000685478859 1072596066 /nfs/dbraw/zinc/59/60/66/1072596066.db2.gz FESXYUSMTRBXPI-HOTGVXAUSA-N 1 2 395.504 -0.573 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccnn1C ZINC000685478861 1072596243 /nfs/dbraw/zinc/59/62/43/1072596243.db2.gz FESXYUSMTRBXPI-HZPDHXFCSA-N 1 2 395.504 -0.573 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccnn1C ZINC000685478863 1072596400 /nfs/dbraw/zinc/59/64/00/1072596400.db2.gz FESXYUSMTRBXPI-JKSUJKDBSA-N 1 2 395.504 -0.573 20 0 GBADLO O=C(NCc1nnc2n1CCOC2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000685484792 1072597417 /nfs/dbraw/zinc/59/74/17/1072597417.db2.gz TWSGISOYXJCLHA-UHFFFAOYSA-N 1 2 384.440 -0.231 20 0 GBADLO C[N@H+]1CCN(C(=O)C(=O)NCc2nnc3n2CCOC3)[C@H](c2ccccc2)C1 ZINC000685485670 1072596971 /nfs/dbraw/zinc/59/69/71/1072596971.db2.gz RXSUENYYFAUFTC-HNNXBMFYSA-N 1 2 384.440 -0.060 20 0 GBADLO C[N@@H+]1CCN(C(=O)C(=O)NCc2nnc3n2CCOC3)[C@H](c2ccccc2)C1 ZINC000685485670 1072596969 /nfs/dbraw/zinc/59/69/69/1072596969.db2.gz RXSUENYYFAUFTC-HNNXBMFYSA-N 1 2 384.440 -0.060 20 0 GBADLO C[N@H+]1CCN(C(=O)C(=O)NCc2nnc3n2CCOC3)[C@@H](c2ccccc2)C1 ZINC000685485673 1072597079 /nfs/dbraw/zinc/59/70/79/1072597079.db2.gz RXSUENYYFAUFTC-OAHLLOKOSA-N 1 2 384.440 -0.060 20 0 GBADLO C[N@@H+]1CCN(C(=O)C(=O)NCc2nnc3n2CCOC3)[C@@H](c2ccccc2)C1 ZINC000685485673 1072597073 /nfs/dbraw/zinc/59/70/73/1072597073.db2.gz RXSUENYYFAUFTC-OAHLLOKOSA-N 1 2 384.440 -0.060 20 0 GBADLO O=C(NCC1(N2CCOCC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685511171 1072598996 /nfs/dbraw/zinc/59/89/96/1072598996.db2.gz PVHUXNWVIXXRSN-INIZCTEOSA-N 1 2 380.489 -0.709 20 0 GBADLO O=C(NCC1(N2CCOCC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685511172 1072599080 /nfs/dbraw/zinc/59/90/80/1072599080.db2.gz PVHUXNWVIXXRSN-MRXNPFEDSA-N 1 2 380.489 -0.709 20 0 GBADLO O=C(NCCCn1cc(CO)nn1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000685529440 1072603693 /nfs/dbraw/zinc/60/36/93/1072603693.db2.gz CABCFIPINSBCLG-UHFFFAOYSA-N 1 2 378.437 -0.489 20 0 GBADLO O=C(NCCCn1cc(CO)nn1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000685530951 1072604039 /nfs/dbraw/zinc/60/40/39/1072604039.db2.gz AYZJAICMCSSGRO-UHFFFAOYSA-N 1 2 378.437 -0.489 20 0 GBADLO CC(C)(C)n1ncnc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685557149 1072610750 /nfs/dbraw/zinc/61/07/50/1072610750.db2.gz NWGIHIFIHKAVHV-AWEZNQCLSA-N 1 2 378.477 -0.028 20 0 GBADLO CC(C)(C)n1ncnc1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685557151 1072611074 /nfs/dbraw/zinc/61/10/74/1072611074.db2.gz NWGIHIFIHKAVHV-CQSZACIVSA-N 1 2 378.477 -0.028 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000685569406 1072613548 /nfs/dbraw/zinc/61/35/48/1072613548.db2.gz MRFWCRKQDYJYRF-INIZCTEOSA-N 1 2 392.504 -0.285 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000685569407 1072613502 /nfs/dbraw/zinc/61/35/02/1072613502.db2.gz MRFWCRKQDYJYRF-MRXNPFEDSA-N 1 2 392.504 -0.285 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000685572686 1072613684 /nfs/dbraw/zinc/61/36/84/1072613684.db2.gz OWAYMAUGVCIVNW-AWEZNQCLSA-N 1 2 385.490 -0.413 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000685572686 1072613679 /nfs/dbraw/zinc/61/36/79/1072613679.db2.gz OWAYMAUGVCIVNW-AWEZNQCLSA-N 1 2 385.490 -0.413 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000685572687 1072614647 /nfs/dbraw/zinc/61/46/47/1072614647.db2.gz OWAYMAUGVCIVNW-CQSZACIVSA-N 1 2 385.490 -0.413 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000685572687 1072614644 /nfs/dbraw/zinc/61/46/44/1072614644.db2.gz OWAYMAUGVCIVNW-CQSZACIVSA-N 1 2 385.490 -0.413 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(=O)N1CCOCC1 ZINC000685585025 1072615374 /nfs/dbraw/zinc/61/53/74/1072615374.db2.gz UUBWNJWJRTVGTE-HNNXBMFYSA-N 1 2 379.461 -0.152 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(=O)N1CCOCC1 ZINC000685585025 1072615368 /nfs/dbraw/zinc/61/53/68/1072615368.db2.gz UUBWNJWJRTVGTE-HNNXBMFYSA-N 1 2 379.461 -0.152 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(=O)N1CCOCC1 ZINC000685585026 1072615228 /nfs/dbraw/zinc/61/52/28/1072615228.db2.gz UUBWNJWJRTVGTE-OAHLLOKOSA-N 1 2 379.461 -0.152 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC(=O)N1CCOCC1 ZINC000685585026 1072615221 /nfs/dbraw/zinc/61/52/21/1072615221.db2.gz UUBWNJWJRTVGTE-OAHLLOKOSA-N 1 2 379.461 -0.152 20 0 GBADLO C[C@@H](O)C[N@@H+](CCO)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000685589477 530204035 /nfs/dbraw/zinc/20/40/35/530204035.db2.gz BKTOJZSHOQWLRO-CYBMUJFWSA-N 1 2 394.515 -0.614 20 0 GBADLO C[C@@H](O)C[N@H+](CCO)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000685589477 530204031 /nfs/dbraw/zinc/20/40/31/530204031.db2.gz BKTOJZSHOQWLRO-CYBMUJFWSA-N 1 2 394.515 -0.614 20 0 GBADLO C[C@H](O)C[N@@H+](CCO)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000685589478 530203678 /nfs/dbraw/zinc/20/36/78/530203678.db2.gz BKTOJZSHOQWLRO-ZDUSSCGKSA-N 1 2 394.515 -0.614 20 0 GBADLO C[C@H](O)C[N@H+](CCO)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000685589478 530203675 /nfs/dbraw/zinc/20/36/75/530203675.db2.gz BKTOJZSHOQWLRO-ZDUSSCGKSA-N 1 2 394.515 -0.614 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCN(C)S(C)(=O)=O ZINC000685609568 1072617931 /nfs/dbraw/zinc/61/79/31/1072617931.db2.gz GJLIEMSTQLMBGL-AWEZNQCLSA-N 1 2 387.506 -0.119 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCN(C)S(C)(=O)=O ZINC000685609568 1072617925 /nfs/dbraw/zinc/61/79/25/1072617925.db2.gz GJLIEMSTQLMBGL-AWEZNQCLSA-N 1 2 387.506 -0.119 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCN(C)S(C)(=O)=O ZINC000685609569 1072618133 /nfs/dbraw/zinc/61/81/33/1072618133.db2.gz GJLIEMSTQLMBGL-CQSZACIVSA-N 1 2 387.506 -0.119 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCN(C)S(C)(=O)=O ZINC000685609569 1072618129 /nfs/dbraw/zinc/61/81/29/1072618129.db2.gz GJLIEMSTQLMBGL-CQSZACIVSA-N 1 2 387.506 -0.119 20 0 GBADLO Cn1cnc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000685611974 1072619471 /nfs/dbraw/zinc/61/94/71/1072619471.db2.gz GPJBQANEDSHKES-UHFFFAOYSA-N 1 2 379.446 -0.908 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC000685644582 1072630201 /nfs/dbraw/zinc/63/02/01/1072630201.db2.gz HKDAIMYCTRLNPH-UHFFFAOYSA-N 1 2 383.474 -0.970 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC000685644582 1072630190 /nfs/dbraw/zinc/63/01/90/1072630190.db2.gz HKDAIMYCTRLNPH-UHFFFAOYSA-N 1 2 383.474 -0.970 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000685727499 1072720171 /nfs/dbraw/zinc/72/01/71/1072720171.db2.gz GKAMUVYDHMOQAC-CYBMUJFWSA-N 1 2 387.506 -0.073 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000685727499 1072720165 /nfs/dbraw/zinc/72/01/65/1072720165.db2.gz GKAMUVYDHMOQAC-CYBMUJFWSA-N 1 2 387.506 -0.073 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000685727500 1072720089 /nfs/dbraw/zinc/72/00/89/1072720089.db2.gz GKAMUVYDHMOQAC-ZDUSSCGKSA-N 1 2 387.506 -0.073 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000685727500 1072720084 /nfs/dbraw/zinc/72/00/84/1072720084.db2.gz GKAMUVYDHMOQAC-ZDUSSCGKSA-N 1 2 387.506 -0.073 20 0 GBADLO NS(=O)(=O)CCN1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000685764688 1072805165 /nfs/dbraw/zinc/80/51/65/1072805165.db2.gz LHUPXCUGARELTC-UHFFFAOYSA-N 1 2 391.497 -0.093 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000685768972 1072811554 /nfs/dbraw/zinc/81/15/54/1072811554.db2.gz SCRODKKNFRRQHZ-HNNXBMFYSA-N 1 2 399.517 -0.023 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000685768972 1072811543 /nfs/dbraw/zinc/81/15/43/1072811543.db2.gz SCRODKKNFRRQHZ-HNNXBMFYSA-N 1 2 399.517 -0.023 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000685768973 1072811652 /nfs/dbraw/zinc/81/16/52/1072811652.db2.gz SCRODKKNFRRQHZ-OAHLLOKOSA-N 1 2 399.517 -0.023 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000685768973 1072811642 /nfs/dbraw/zinc/81/16/42/1072811642.db2.gz SCRODKKNFRRQHZ-OAHLLOKOSA-N 1 2 399.517 -0.023 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H](CO)C1CCCC1 ZINC000685777948 1072824254 /nfs/dbraw/zinc/82/42/54/1072824254.db2.gz MWZLNDORBXORKP-HNNXBMFYSA-N 1 2 379.461 -0.179 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H](CO)C1CCCC1 ZINC000685777949 1072824809 /nfs/dbraw/zinc/82/48/09/1072824809.db2.gz MWZLNDORBXORKP-OAHLLOKOSA-N 1 2 379.461 -0.179 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCS(=O)(=O)N(C)C ZINC000685780571 1072828010 /nfs/dbraw/zinc/82/80/10/1072828010.db2.gz UERUFQYGVAAZOU-UHFFFAOYSA-N 1 2 399.473 -0.827 20 0 GBADLO O=C(CO)N1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000685805060 1072871969 /nfs/dbraw/zinc/87/19/69/1072871969.db2.gz APUMTWFTWPPXRA-INIZCTEOSA-N 1 2 391.472 -0.320 20 0 GBADLO O=C(CO)N1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000685805060 1072871959 /nfs/dbraw/zinc/87/19/59/1072871959.db2.gz APUMTWFTWPPXRA-INIZCTEOSA-N 1 2 391.472 -0.320 20 0 GBADLO O=C(CO)N1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000685805061 1072872452 /nfs/dbraw/zinc/87/24/52/1072872452.db2.gz APUMTWFTWPPXRA-MRXNPFEDSA-N 1 2 391.472 -0.320 20 0 GBADLO O=C(CO)N1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000685805061 1072872445 /nfs/dbraw/zinc/87/24/45/1072872445.db2.gz APUMTWFTWPPXRA-MRXNPFEDSA-N 1 2 391.472 -0.320 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000685821808 1072890741 /nfs/dbraw/zinc/89/07/41/1072890741.db2.gz WVLJAAZWOIPQEN-INIZCTEOSA-N 1 2 390.488 -0.435 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000685821808 1072890728 /nfs/dbraw/zinc/89/07/28/1072890728.db2.gz WVLJAAZWOIPQEN-INIZCTEOSA-N 1 2 390.488 -0.435 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000685821809 1072890858 /nfs/dbraw/zinc/89/08/58/1072890858.db2.gz WVLJAAZWOIPQEN-MRXNPFEDSA-N 1 2 390.488 -0.435 20 0 GBADLO O=C(NCCN1CCNC(=O)C1)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000685821809 1072890845 /nfs/dbraw/zinc/89/08/45/1072890845.db2.gz WVLJAAZWOIPQEN-MRXNPFEDSA-N 1 2 390.488 -0.435 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000685846477 1072906925 /nfs/dbraw/zinc/90/69/25/1072906925.db2.gz YVGGMZNRQZHXEQ-ORHYLEIMSA-N 1 2 385.490 -0.321 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000685846477 1072906921 /nfs/dbraw/zinc/90/69/21/1072906921.db2.gz YVGGMZNRQZHXEQ-ORHYLEIMSA-N 1 2 385.490 -0.321 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000685846478 1072907381 /nfs/dbraw/zinc/90/73/81/1072907381.db2.gz YVGGMZNRQZHXEQ-YIZWMMSDSA-N 1 2 385.490 -0.321 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000685846478 1072907375 /nfs/dbraw/zinc/90/73/75/1072907375.db2.gz YVGGMZNRQZHXEQ-YIZWMMSDSA-N 1 2 385.490 -0.321 20 0 GBADLO NC(=O)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000685878206 1072939287 /nfs/dbraw/zinc/93/92/87/1072939287.db2.gz GXSDOUAMXFLGOQ-KRWDZBQOSA-N 1 2 388.468 -0.489 20 0 GBADLO NC(=O)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000685878207 1072939634 /nfs/dbraw/zinc/93/96/34/1072939634.db2.gz GXSDOUAMXFLGOQ-QGZVFWFLSA-N 1 2 388.468 -0.489 20 0 GBADLO OC[C@H]1CCN(c2nc(N3CC[C@@H](CO)[C@H](O)C3)[nH+]c3c2SCC3)C[C@H]1O ZINC000685917450 1072984303 /nfs/dbraw/zinc/98/43/03/1072984303.db2.gz LSYGOOXBWMSQBA-AYRXBEOTSA-N 1 2 396.513 -0.516 20 0 GBADLO OC[C@H]1CCN(c2nc(N3CC[C@@H](CO)[C@@H](O)C3)[nH+]c3c2SCC3)C[C@@H]1O ZINC000685917451 1072985002 /nfs/dbraw/zinc/98/50/02/1072985002.db2.gz LSYGOOXBWMSQBA-DHMWGJHJSA-N 1 2 396.513 -0.516 20 0 GBADLO OC[C@H]1CCN(c2nc(N3CC[C@@H](CO)[C@@H](O)C3)[nH+]c3c2SCC3)C[C@H]1O ZINC000685917452 1072984703 /nfs/dbraw/zinc/98/47/03/1072984703.db2.gz LSYGOOXBWMSQBA-OSRDXIQISA-N 1 2 396.513 -0.516 20 0 GBADLO OC[C@H]1CCN(c2nc(N3CC[C@@H](CO)[C@H](O)C3)[nH+]c3c2SCC3)C[C@@H]1O ZINC000685917453 1072985201 /nfs/dbraw/zinc/98/52/01/1072985201.db2.gz LSYGOOXBWMSQBA-PAPYEOQZSA-N 1 2 396.513 -0.516 20 0 GBADLO OC[C@H]1CCN(c2nc(N3CC[C@@H](CO)[C@@H](O)C3)[nH+]cc2C2CC2)C[C@@H]1O ZINC000685917519 1072985106 /nfs/dbraw/zinc/98/51/06/1072985106.db2.gz XMWGETUWEOYRQV-OHFALNGGSA-N 1 2 378.473 -0.287 20 0 GBADLO OC[C@H]1CCN(c2nc(N3CC[C@@H](CO)[C@@H](O)C3)[nH+]cc2C2CC2)C[C@H]1O ZINC000685917644 1072983337 /nfs/dbraw/zinc/98/33/37/1072983337.db2.gz XMWGETUWEOYRQV-WTTBNOFXSA-N 1 2 378.473 -0.287 20 0 GBADLO OC[C@H]1CCN(c2nc(N3CC[C@@H](CO)[C@H](O)C3)[nH+]cc2C2CC2)C[C@H]1O ZINC000685917647 1072983257 /nfs/dbraw/zinc/98/32/57/1072983257.db2.gz XMWGETUWEOYRQV-YALNPMBYSA-N 1 2 378.473 -0.287 20 0 GBADLO OC[C@H]1CCN(c2nc(N3CC[C@@H](CO)[C@H](O)C3)[nH+]cc2C2CC2)C[C@@H]1O ZINC000685917649 1072983601 /nfs/dbraw/zinc/98/36/01/1072983601.db2.gz XMWGETUWEOYRQV-YQFWSFKMSA-N 1 2 378.473 -0.287 20 0 GBADLO C1OC[C@@H]2CN(c3nc(N4C[C@@H]5COC[C@@H]5C4)[nH+]c(N4CCOCC4)n3)C[C@H]12 ZINC000685918462 1072985830 /nfs/dbraw/zinc/98/58/30/1072985830.db2.gz HDCOCUIEICEOHN-GEEKYZPCSA-N 1 2 388.472 -0.127 20 0 GBADLO C1OC[C@@H]2CN(c3nc(N4CCOCC4)nc(N4C[C@@H]5COC[C@@H]5C4)[nH+]3)C[C@H]12 ZINC000685918462 1072985821 /nfs/dbraw/zinc/98/58/21/1072985821.db2.gz HDCOCUIEICEOHN-GEEKYZPCSA-N 1 2 388.472 -0.127 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702617218 637607646 /nfs/dbraw/zinc/60/76/46/637607646.db2.gz ABNDGXNFQFYZFZ-HNNXBMFYSA-N 1 2 376.500 -0.413 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702617218 637607641 /nfs/dbraw/zinc/60/76/41/637607641.db2.gz ABNDGXNFQFYZFZ-HNNXBMFYSA-N 1 2 376.500 -0.413 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702617221 637607403 /nfs/dbraw/zinc/60/74/03/637607403.db2.gz ABNDGXNFQFYZFZ-OAHLLOKOSA-N 1 2 376.500 -0.413 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702617221 637607398 /nfs/dbraw/zinc/60/73/98/637607398.db2.gz ABNDGXNFQFYZFZ-OAHLLOKOSA-N 1 2 376.500 -0.413 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCOCC2)CCO1 ZINC000726251474 637384444 /nfs/dbraw/zinc/38/44/44/637384444.db2.gz ZFGZZXYDYOIBFZ-UHFFFAOYSA-N 1 2 378.495 -0.942 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCOCC2)CCO1 ZINC000726251474 637384439 /nfs/dbraw/zinc/38/44/39/637384439.db2.gz ZFGZZXYDYOIBFZ-UHFFFAOYSA-N 1 2 378.495 -0.942 20 0 GBADLO Cn1nc(Br)c2c1ncn(CC(=O)NCCn1cc[nH+]c1)c2=O ZINC000727065519 637392266 /nfs/dbraw/zinc/39/22/66/637392266.db2.gz VTWVQTZOVCWTBK-UHFFFAOYSA-N 1 2 380.206 -0.095 20 0 GBADLO CS(=O)(=O)NCCNC(=S)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000727071480 637393320 /nfs/dbraw/zinc/39/33/20/637393320.db2.gz AFTBIIFTMQSVAK-HNNXBMFYSA-N 1 2 386.543 -0.099 20 0 GBADLO CS(=O)(=O)NCCNC(=S)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000727071480 637393312 /nfs/dbraw/zinc/39/33/12/637393312.db2.gz AFTBIIFTMQSVAK-HNNXBMFYSA-N 1 2 386.543 -0.099 20 0 GBADLO CS(=O)(=O)NCCNC(=S)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000727071481 637393527 /nfs/dbraw/zinc/39/35/27/637393527.db2.gz AFTBIIFTMQSVAK-OAHLLOKOSA-N 1 2 386.543 -0.099 20 0 GBADLO CS(=O)(=O)NCCNC(=S)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000727071481 637393520 /nfs/dbraw/zinc/39/35/20/637393520.db2.gz AFTBIIFTMQSVAK-OAHLLOKOSA-N 1 2 386.543 -0.099 20 0 GBADLO CS(=O)(=O)NCCNC(=S)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000727080071 637394568 /nfs/dbraw/zinc/39/45/68/637394568.db2.gz CZINIULWNNKSLU-CYBMUJFWSA-N 1 2 382.577 -0.792 20 0 GBADLO CS(=O)(=O)NCCNC(=S)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000727080072 637394630 /nfs/dbraw/zinc/39/46/30/637394630.db2.gz CZINIULWNNKSLU-ZDUSSCGKSA-N 1 2 382.577 -0.792 20 0 GBADLO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCS(C)(=O)=O ZINC000728054322 637404228 /nfs/dbraw/zinc/40/42/28/637404228.db2.gz WWLNLGSJVRYLRS-UHFFFAOYSA-N 1 2 391.515 -0.641 20 0 GBADLO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCS(C)(=O)=O ZINC000728054322 637404225 /nfs/dbraw/zinc/40/42/25/637404225.db2.gz WWLNLGSJVRYLRS-UHFFFAOYSA-N 1 2 391.515 -0.641 20 0 GBADLO O=C(Cn1ccc(=O)[nH]c1=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000728321109 1072544782 /nfs/dbraw/zinc/54/47/82/1072544782.db2.gz SYAIKCNMQPWMCT-UHFFFAOYSA-N 1 2 392.437 -0.102 20 0 GBADLO CCOCCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000728351836 1072622299 /nfs/dbraw/zinc/62/22/99/1072622299.db2.gz PRONZWDEYKCSLQ-UHFFFAOYSA-N 1 2 376.417 -0.018 20 0 GBADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000728397769 637406019 /nfs/dbraw/zinc/40/60/19/637406019.db2.gz WOXGVIVBDXCAAZ-UHFFFAOYSA-N 1 2 378.495 -0.942 20 0 GBADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000728397769 637406014 /nfs/dbraw/zinc/40/60/14/637406014.db2.gz WOXGVIVBDXCAAZ-UHFFFAOYSA-N 1 2 378.495 -0.942 20 0 GBADLO COC(=O)[C@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000728574115 1072496522 /nfs/dbraw/zinc/49/65/22/1072496522.db2.gz VFRAZDQJWRDDMO-GFCCVEGCSA-N 1 2 382.417 -0.464 20 0 GBADLO COC(=O)[C@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000728574115 1072496517 /nfs/dbraw/zinc/49/65/17/1072496517.db2.gz VFRAZDQJWRDDMO-GFCCVEGCSA-N 1 2 382.417 -0.464 20 0 GBADLO COC(=O)[C@@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000728574116 1072496026 /nfs/dbraw/zinc/49/60/26/1072496026.db2.gz VFRAZDQJWRDDMO-LBPRGKRZSA-N 1 2 382.417 -0.464 20 0 GBADLO COC(=O)[C@@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCO1 ZINC000728574116 1072496019 /nfs/dbraw/zinc/49/60/19/1072496019.db2.gz VFRAZDQJWRDDMO-LBPRGKRZSA-N 1 2 382.417 -0.464 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000728869729 1073568481 /nfs/dbraw/zinc/56/84/81/1073568481.db2.gz YOZYFOUINHHRLB-UHFFFAOYSA-N 1 2 382.486 -0.317 20 0 GBADLO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000728869729 1073568472 /nfs/dbraw/zinc/56/84/72/1073568472.db2.gz YOZYFOUINHHRLB-UHFFFAOYSA-N 1 2 382.486 -0.317 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000728869741 1073568718 /nfs/dbraw/zinc/56/87/18/1073568718.db2.gz ZKBKVFIRWVVQAJ-AWEZNQCLSA-N 1 2 382.486 -0.319 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000728869741 1073568711 /nfs/dbraw/zinc/56/87/11/1073568711.db2.gz ZKBKVFIRWVVQAJ-AWEZNQCLSA-N 1 2 382.486 -0.319 20 0 GBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC2(C1)OCCO2 ZINC000729266923 1073945064 /nfs/dbraw/zinc/94/50/64/1073945064.db2.gz RKIQTQUAVFLSRR-CYBMUJFWSA-N 1 2 383.470 -0.170 20 0 GBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC2(C1)OCCO2 ZINC000729266923 1073945059 /nfs/dbraw/zinc/94/50/59/1073945059.db2.gz RKIQTQUAVFLSRR-CYBMUJFWSA-N 1 2 383.470 -0.170 20 0 GBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC2(C1)OCCO2 ZINC000729266924 1073945258 /nfs/dbraw/zinc/94/52/58/1073945258.db2.gz RKIQTQUAVFLSRR-ZDUSSCGKSA-N 1 2 383.470 -0.170 20 0 GBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC2(C1)OCCO2 ZINC000729266924 1073945250 /nfs/dbraw/zinc/94/52/50/1073945250.db2.gz RKIQTQUAVFLSRR-ZDUSSCGKSA-N 1 2 383.470 -0.170 20 0 GBADLO CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000729312903 1073947368 /nfs/dbraw/zinc/94/73/68/1073947368.db2.gz QIAYJAHYIURALN-CABCVRRESA-N 1 2 399.513 -0.326 20 0 GBADLO CCOC(=O)[C@@H]1CSCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000729312907 1073947032 /nfs/dbraw/zinc/94/70/32/1073947032.db2.gz QIAYJAHYIURALN-GJZGRUSLSA-N 1 2 399.513 -0.326 20 0 GBADLO CCOC(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000729312908 1073946834 /nfs/dbraw/zinc/94/68/34/1073946834.db2.gz QIAYJAHYIURALN-HUUCEWRRSA-N 1 2 399.513 -0.326 20 0 GBADLO CCOC(=O)[C@H]1CSCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000729312911 1073947265 /nfs/dbraw/zinc/94/72/65/1073947265.db2.gz QIAYJAHYIURALN-LSDHHAIUSA-N 1 2 399.513 -0.326 20 0 GBADLO O=C(Nc1ccc(-n2nccn2)nc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000729325347 1073947086 /nfs/dbraw/zinc/94/70/86/1073947086.db2.gz UFZQDTDUEIFTBL-AWEZNQCLSA-N 1 2 385.428 -0.219 20 0 GBADLO O=C(Nc1ccc(-n2nccn2)nc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000729325348 1073947465 /nfs/dbraw/zinc/94/74/65/1073947465.db2.gz UFZQDTDUEIFTBL-CQSZACIVSA-N 1 2 385.428 -0.219 20 0 GBADLO Cn1c2ncn(CC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)c2c(=O)n(C)c1=O ZINC000729338793 1073948271 /nfs/dbraw/zinc/94/82/71/1073948271.db2.gz XDKYCUORXBFZIX-GFCCVEGCSA-N 1 2 387.444 -0.139 20 0 GBADLO Cn1c2ncn(CC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)c2c(=O)n(C)c1=O ZINC000729338794 1073948045 /nfs/dbraw/zinc/94/80/45/1073948045.db2.gz XDKYCUORXBFZIX-LBPRGKRZSA-N 1 2 387.444 -0.139 20 0 GBADLO Cn1cnc2c1c(=O)n(CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c(=O)n2C ZINC000729343758 1073948223 /nfs/dbraw/zinc/94/82/23/1073948223.db2.gz ZUBOMRDEVFBCJL-GFCCVEGCSA-N 1 2 387.444 -0.139 20 0 GBADLO Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c(=O)n2C ZINC000729343759 1073948374 /nfs/dbraw/zinc/94/83/74/1073948374.db2.gz ZUBOMRDEVFBCJL-LBPRGKRZSA-N 1 2 387.444 -0.139 20 0 GBADLO NC(=O)COc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000729544198 1073323150 /nfs/dbraw/zinc/32/31/50/1073323150.db2.gz ALWADPDVUQVNAM-UHFFFAOYSA-N 1 2 388.424 -0.656 20 0 GBADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000729605769 637424101 /nfs/dbraw/zinc/42/41/01/637424101.db2.gz LOEFSXJGKDYKMI-KBPBESRZSA-N 1 2 378.495 -0.943 20 0 GBADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000729605775 637423973 /nfs/dbraw/zinc/42/39/73/637423973.db2.gz LOEFSXJGKDYKMI-KGLIPLIRSA-N 1 2 378.495 -0.943 20 0 GBADLO C[C@H]([C@H](C)NC(=O)NCCS(=O)(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000729605777 637424026 /nfs/dbraw/zinc/42/40/26/637424026.db2.gz LOEFSXJGKDYKMI-UONOGXRCSA-N 1 2 378.495 -0.943 20 0 GBADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000729605780 637424074 /nfs/dbraw/zinc/42/40/74/637424074.db2.gz LOEFSXJGKDYKMI-ZIAGYGMSSA-N 1 2 378.495 -0.943 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000730546286 637508526 /nfs/dbraw/zinc/50/85/26/637508526.db2.gz NSXAISTYKCAJNJ-GFCCVEGCSA-N 1 2 380.536 -0.933 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000730546286 637508521 /nfs/dbraw/zinc/50/85/21/637508521.db2.gz NSXAISTYKCAJNJ-GFCCVEGCSA-N 1 2 380.536 -0.933 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000730546291 637508590 /nfs/dbraw/zinc/50/85/90/637508590.db2.gz NSXAISTYKCAJNJ-LBPRGKRZSA-N 1 2 380.536 -0.933 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000730546291 637508589 /nfs/dbraw/zinc/50/85/89/637508589.db2.gz NSXAISTYKCAJNJ-LBPRGKRZSA-N 1 2 380.536 -0.933 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 ZINC000730670584 637510712 /nfs/dbraw/zinc/51/07/12/637510712.db2.gz ASELPVSQWJCTTQ-CYBMUJFWSA-N 1 2 380.536 -0.615 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 ZINC000730670584 637510705 /nfs/dbraw/zinc/51/07/05/637510705.db2.gz ASELPVSQWJCTTQ-CYBMUJFWSA-N 1 2 380.536 -0.615 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 ZINC000730670585 637510381 /nfs/dbraw/zinc/51/03/81/637510381.db2.gz ASELPVSQWJCTTQ-ZDUSSCGKSA-N 1 2 380.536 -0.615 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 ZINC000730670585 637510378 /nfs/dbraw/zinc/51/03/78/637510378.db2.gz ASELPVSQWJCTTQ-ZDUSSCGKSA-N 1 2 380.536 -0.615 20 0 GBADLO CS(=O)(=O)CCN1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000731568899 637517688 /nfs/dbraw/zinc/51/76/88/637517688.db2.gz FVAVSRMJKJQVTN-UHFFFAOYSA-N 1 2 392.591 -0.318 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=S)NCCN2CCOCC2)CC1 ZINC000731570580 637517673 /nfs/dbraw/zinc/51/76/73/637517673.db2.gz XFMBDOJBSKNMLR-UHFFFAOYSA-N 1 2 378.564 -0.708 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2sccc2-n2cnnn2)CC1 ZINC000731650299 637518459 /nfs/dbraw/zinc/51/84/59/637518459.db2.gz AMBQKKOXBFIUAO-UHFFFAOYSA-N 1 2 384.487 -0.037 20 0 GBADLO C[C@@H](CN1CCOCC1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683016 637518941 /nfs/dbraw/zinc/51/89/41/637518941.db2.gz VGUNFSZLSBJBNQ-AWEZNQCLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H](CN1CCOCC1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683019 637519099 /nfs/dbraw/zinc/51/90/99/637519099.db2.gz VGUNFSZLSBJBNQ-CQSZACIVSA-N 1 2 376.523 -0.485 20 0 GBADLO CC(C)(C)C(=O)NCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731684629 637519069 /nfs/dbraw/zinc/51/90/69/637519069.db2.gz ZTFJDKYAHLQMLF-UHFFFAOYSA-N 1 2 376.523 -0.043 20 0 GBADLO COC(=O)CSCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731684899 637519062 /nfs/dbraw/zinc/51/90/62/637519062.db2.gz NIFQYVSWJHGNOQ-UHFFFAOYSA-N 1 2 381.520 -0.299 20 0 GBADLO C[C@H]1COCCN1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731758602 637521263 /nfs/dbraw/zinc/52/12/63/637521263.db2.gz JTZQOLHZWFNWHR-AWEZNQCLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H]1COCCN1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731758603 637521384 /nfs/dbraw/zinc/52/13/84/637521384.db2.gz JTZQOLHZWFNWHR-CQSZACIVSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@H]1CN(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC000731759595 637521178 /nfs/dbraw/zinc/52/11/78/637521178.db2.gz QIHJJLKSONQUAE-AWEZNQCLSA-N 1 2 376.523 -0.485 20 0 GBADLO C[C@@H]1CN(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC000731759596 637521073 /nfs/dbraw/zinc/52/10/73/637521073.db2.gz QIHJJLKSONQUAE-CQSZACIVSA-N 1 2 376.523 -0.485 20 0 GBADLO CC(C)COC[C@@H](O)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731760852 637521128 /nfs/dbraw/zinc/52/11/28/637521128.db2.gz DMVNAWVQADKSJD-HNNXBMFYSA-N 1 2 379.523 -0.172 20 0 GBADLO CC(C)COC[C@H](O)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731760853 637521335 /nfs/dbraw/zinc/52/13/35/637521335.db2.gz DMVNAWVQADKSJD-OAHLLOKOSA-N 1 2 379.523 -0.172 20 0 GBADLO COC(=O)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731760907 637521308 /nfs/dbraw/zinc/52/13/08/637521308.db2.gz HJWLBFJVJGMFFK-UHFFFAOYSA-N 1 2 376.479 -0.411 20 0 GBADLO CNS(=O)(=O)c1ccc(NC2CC[NH+](CCS(C)(=O)=O)CC2)nc1 ZINC000732046426 637523607 /nfs/dbraw/zinc/52/36/07/637523607.db2.gz WZIMCBPDHWFGCE-UHFFFAOYSA-N 1 2 376.504 -0.089 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)cc1 ZINC000732816085 637530236 /nfs/dbraw/zinc/53/02/36/637530236.db2.gz ZZNBBSWZPZVGDV-UHFFFAOYSA-N 1 2 379.529 -0.078 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCOC[C@@H]2CCCO2)CC1 ZINC000734533402 637571001 /nfs/dbraw/zinc/57/10/01/637571001.db2.gz UKRNRRUBNBZXCG-HNNXBMFYSA-N 1 2 377.507 -0.010 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCOC[C@H]2CCCO2)CC1 ZINC000734533404 637571249 /nfs/dbraw/zinc/57/12/49/637571249.db2.gz UKRNRRUBNBZXCG-OAHLLOKOSA-N 1 2 377.507 -0.010 20 0 GBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1cccnc1Cl ZINC000734839392 637572838 /nfs/dbraw/zinc/57/28/38/637572838.db2.gz XRUDJWUWIZDQSH-CHWSQXEVSA-N 1 2 388.877 -0.239 20 0 GBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1cccnc1Cl ZINC000734839393 637572683 /nfs/dbraw/zinc/57/26/83/637572683.db2.gz XRUDJWUWIZDQSH-OLZOCXBDSA-N 1 2 388.877 -0.239 20 0 GBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1cccnc1Cl ZINC000734839394 637572621 /nfs/dbraw/zinc/57/26/21/637572621.db2.gz XRUDJWUWIZDQSH-QWHCGFSZSA-N 1 2 388.877 -0.239 20 0 GBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1cccnc1Cl ZINC000734839395 637572922 /nfs/dbraw/zinc/57/29/22/637572922.db2.gz XRUDJWUWIZDQSH-STQMWFEESA-N 1 2 388.877 -0.239 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000735077864 637574997 /nfs/dbraw/zinc/57/49/97/637574997.db2.gz CIHNQWUGGRXCET-CHWSQXEVSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000735077864 637574988 /nfs/dbraw/zinc/57/49/88/637574988.db2.gz CIHNQWUGGRXCET-CHWSQXEVSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000735077865 637575162 /nfs/dbraw/zinc/57/51/62/637575162.db2.gz CIHNQWUGGRXCET-OLZOCXBDSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000735077865 637575156 /nfs/dbraw/zinc/57/51/56/637575156.db2.gz CIHNQWUGGRXCET-OLZOCXBDSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000735077866 637575095 /nfs/dbraw/zinc/57/50/95/637575095.db2.gz CIHNQWUGGRXCET-QWHCGFSZSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000735077866 637575091 /nfs/dbraw/zinc/57/50/91/637575091.db2.gz CIHNQWUGGRXCET-QWHCGFSZSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000735077867 637574899 /nfs/dbraw/zinc/57/48/99/637574899.db2.gz CIHNQWUGGRXCET-STQMWFEESA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000735077867 637574892 /nfs/dbraw/zinc/57/48/92/637574892.db2.gz CIHNQWUGGRXCET-STQMWFEESA-N 1 2 376.479 -0.701 20 0 GBADLO CC(=O)N1CCN(C(=O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000735466669 598252214 /nfs/dbraw/zinc/25/22/14/598252214.db2.gz WUNQZBCCJRGDQS-UHFFFAOYSA-N 1 2 398.471 -0.321 20 0 GBADLO CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000735472806 599269948 /nfs/dbraw/zinc/26/99/48/599269948.db2.gz AEJSDCDXKCTASM-GDBMZVCRSA-N 1 2 376.417 -0.557 20 0 GBADLO CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000735472806 599269946 /nfs/dbraw/zinc/26/99/46/599269946.db2.gz AEJSDCDXKCTASM-GDBMZVCRSA-N 1 2 376.417 -0.557 20 0 GBADLO CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000735472807 599269351 /nfs/dbraw/zinc/26/93/51/599269351.db2.gz AEJSDCDXKCTASM-GOEBONIOSA-N 1 2 376.417 -0.557 20 0 GBADLO CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000735472807 599269349 /nfs/dbraw/zinc/26/93/49/599269349.db2.gz AEJSDCDXKCTASM-GOEBONIOSA-N 1 2 376.417 -0.557 20 0 GBADLO CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000735472808 599270027 /nfs/dbraw/zinc/27/00/27/599270027.db2.gz AEJSDCDXKCTASM-HOCLYGCPSA-N 1 2 376.417 -0.557 20 0 GBADLO CC(=O)NC[C@H]1C[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000735472808 599270025 /nfs/dbraw/zinc/27/00/25/599270025.db2.gz AEJSDCDXKCTASM-HOCLYGCPSA-N 1 2 376.417 -0.557 20 0 GBADLO CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000735472809 599269436 /nfs/dbraw/zinc/26/94/36/599269436.db2.gz AEJSDCDXKCTASM-ZBFHGGJFSA-N 1 2 376.417 -0.557 20 0 GBADLO CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000735472809 599269435 /nfs/dbraw/zinc/26/94/35/599269435.db2.gz AEJSDCDXKCTASM-ZBFHGGJFSA-N 1 2 376.417 -0.557 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000735561341 598567212 /nfs/dbraw/zinc/56/72/12/598567212.db2.gz XFXPETBKKJJLIR-JTQLQIEISA-N 1 2 379.446 -0.053 20 0 GBADLO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000735561342 598567224 /nfs/dbraw/zinc/56/72/24/598567224.db2.gz XFXPETBKKJJLIR-SNVBAGLBSA-N 1 2 379.446 -0.053 20 0 GBADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000735564006 598567580 /nfs/dbraw/zinc/56/75/80/598567580.db2.gz VWVDHOWRFXZHFB-JTQLQIEISA-N 1 2 379.446 -0.053 20 0 GBADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000735564007 598567328 /nfs/dbraw/zinc/56/73/28/598567328.db2.gz VWVDHOWRFXZHFB-SNVBAGLBSA-N 1 2 379.446 -0.053 20 0 GBADLO CC(C)(CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCOCC1 ZINC000735665630 598398322 /nfs/dbraw/zinc/39/83/22/598398322.db2.gz IQMXRIFGHMDEGT-UHFFFAOYSA-N 1 2 387.444 -0.177 20 0 GBADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000735835374 598262995 /nfs/dbraw/zinc/26/29/95/598262995.db2.gz IAYRPWLJSOGQMH-GFCCVEGCSA-N 1 2 381.462 -0.103 20 0 GBADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000735835374 598262993 /nfs/dbraw/zinc/26/29/93/598262993.db2.gz IAYRPWLJSOGQMH-GFCCVEGCSA-N 1 2 381.462 -0.103 20 0 GBADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000735835375 598263462 /nfs/dbraw/zinc/26/34/62/598263462.db2.gz IAYRPWLJSOGQMH-LBPRGKRZSA-N 1 2 381.462 -0.103 20 0 GBADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)C1 ZINC000735835375 598263461 /nfs/dbraw/zinc/26/34/61/598263461.db2.gz IAYRPWLJSOGQMH-LBPRGKRZSA-N 1 2 381.462 -0.103 20 0 GBADLO CC(C)N1C(=O)N[C@]2(CC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000735876069 599290602 /nfs/dbraw/zinc/29/06/02/599290602.db2.gz UPRYWFBHOBOJBI-ACJLOTCBSA-N 1 2 398.427 -0.202 20 0 GBADLO CC(C)N1C(=O)N[C@]2(CC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000735876069 599290601 /nfs/dbraw/zinc/29/06/01/599290601.db2.gz UPRYWFBHOBOJBI-ACJLOTCBSA-N 1 2 398.427 -0.202 20 0 GBADLO CC(C)N1C(=O)N[C@@]2(CC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000735876070 599290633 /nfs/dbraw/zinc/29/06/33/599290633.db2.gz UPRYWFBHOBOJBI-FZKQIMNGSA-N 1 2 398.427 -0.202 20 0 GBADLO CC(C)N1C(=O)N[C@@]2(CC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000735876070 599290632 /nfs/dbraw/zinc/29/06/32/599290632.db2.gz UPRYWFBHOBOJBI-FZKQIMNGSA-N 1 2 398.427 -0.202 20 0 GBADLO CC(C)N1C(=O)N[C@@]2(CC[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000735876071 599290797 /nfs/dbraw/zinc/29/07/97/599290797.db2.gz UPRYWFBHOBOJBI-SCLBCKFNSA-N 1 2 398.427 -0.202 20 0 GBADLO CC(C)N1C(=O)N[C@@]2(CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000735876071 599290795 /nfs/dbraw/zinc/29/07/95/599290795.db2.gz UPRYWFBHOBOJBI-SCLBCKFNSA-N 1 2 398.427 -0.202 20 0 GBADLO CC(C)N1C(=O)N[C@]2(CC[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000735876072 599291050 /nfs/dbraw/zinc/29/10/50/599291050.db2.gz UPRYWFBHOBOJBI-UGSOOPFHSA-N 1 2 398.427 -0.202 20 0 GBADLO CC(C)N1C(=O)N[C@]2(CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000735876072 599291046 /nfs/dbraw/zinc/29/10/46/599291046.db2.gz UPRYWFBHOBOJBI-UGSOOPFHSA-N 1 2 398.427 -0.202 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000735999527 598390192 /nfs/dbraw/zinc/39/01/92/598390192.db2.gz BMRVYPBSVUEXLU-CYBMUJFWSA-N 1 2 388.480 -0.391 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000735999529 598390225 /nfs/dbraw/zinc/39/02/25/598390225.db2.gz BMRVYPBSVUEXLU-ZDUSSCGKSA-N 1 2 388.480 -0.391 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000736002649 598390608 /nfs/dbraw/zinc/39/06/08/598390608.db2.gz SFHDSFKRQVDSKR-CYBMUJFWSA-N 1 2 388.480 -0.391 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000736002650 598390837 /nfs/dbraw/zinc/39/08/37/598390837.db2.gz SFHDSFKRQVDSKR-ZDUSSCGKSA-N 1 2 388.480 -0.391 20 0 GBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736003449 598410181 /nfs/dbraw/zinc/41/01/81/598410181.db2.gz ZGLSHTNSVKIVJQ-CYBMUJFWSA-N 1 2 386.460 -0.651 20 0 GBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736003450 598410020 /nfs/dbraw/zinc/41/00/20/598410020.db2.gz ZGLSHTNSVKIVJQ-ZDUSSCGKSA-N 1 2 386.460 -0.651 20 0 GBADLO C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C)CC1 ZINC000736015138 599013412 /nfs/dbraw/zinc/01/34/12/599013412.db2.gz YJXUIGGHGRBWGI-CYBMUJFWSA-N 1 2 386.460 -0.651 20 0 GBADLO C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C)CC1 ZINC000736015140 599013045 /nfs/dbraw/zinc/01/30/45/599013045.db2.gz YJXUIGGHGRBWGI-ZDUSSCGKSA-N 1 2 386.460 -0.651 20 0 GBADLO C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000736105400 598261959 /nfs/dbraw/zinc/26/19/59/598261959.db2.gz NXBZTJNJNDZDBB-CHWSQXEVSA-N 1 2 387.444 -0.178 20 0 GBADLO C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000736105401 598261498 /nfs/dbraw/zinc/26/14/98/598261498.db2.gz NXBZTJNJNDZDBB-OLZOCXBDSA-N 1 2 387.444 -0.178 20 0 GBADLO C[C@H]([C@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCOCC1 ZINC000736105402 598261671 /nfs/dbraw/zinc/26/16/71/598261671.db2.gz NXBZTJNJNDZDBB-QWHCGFSZSA-N 1 2 387.444 -0.178 20 0 GBADLO C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000736105503 598261702 /nfs/dbraw/zinc/26/17/02/598261702.db2.gz NXBZTJNJNDZDBB-STQMWFEESA-N 1 2 387.444 -0.178 20 0 GBADLO C[C@H](O)CN1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736145910 598343432 /nfs/dbraw/zinc/34/34/32/598343432.db2.gz DQYKNMRAQUBHPF-DZKIICNBSA-N 1 2 376.461 -0.007 20 0 GBADLO C[C@H](O)CN1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736145910 598343430 /nfs/dbraw/zinc/34/34/30/598343430.db2.gz DQYKNMRAQUBHPF-DZKIICNBSA-N 1 2 376.461 -0.007 20 0 GBADLO C[C@H](O)CN1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145912 598343000 /nfs/dbraw/zinc/34/30/00/598343000.db2.gz DQYKNMRAQUBHPF-IJEWVQPXSA-N 1 2 376.461 -0.007 20 0 GBADLO C[C@H](O)CN1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145912 598342997 /nfs/dbraw/zinc/34/29/97/598342997.db2.gz DQYKNMRAQUBHPF-IJEWVQPXSA-N 1 2 376.461 -0.007 20 0 GBADLO C[C@H](O)CN1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736145914 598343186 /nfs/dbraw/zinc/34/31/86/598343186.db2.gz DQYKNMRAQUBHPF-OFQRWUPVSA-N 1 2 376.461 -0.007 20 0 GBADLO C[C@H](O)CN1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736145914 598343185 /nfs/dbraw/zinc/34/31/85/598343185.db2.gz DQYKNMRAQUBHPF-OFQRWUPVSA-N 1 2 376.461 -0.007 20 0 GBADLO C[C@H](O)CN1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145915 598343109 /nfs/dbraw/zinc/34/31/09/598343109.db2.gz DQYKNMRAQUBHPF-YCPHGPKFSA-N 1 2 376.461 -0.007 20 0 GBADLO C[C@H](O)CN1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736145915 598343106 /nfs/dbraw/zinc/34/31/06/598343106.db2.gz DQYKNMRAQUBHPF-YCPHGPKFSA-N 1 2 376.461 -0.007 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736146968 598932400 /nfs/dbraw/zinc/93/24/00/598932400.db2.gz LUJBFKQHBHXFGG-JTQLQIEISA-N 1 2 393.835 -0.016 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736146969 598932387 /nfs/dbraw/zinc/93/23/87/598932387.db2.gz LUJBFKQHBHXFGG-SNVBAGLBSA-N 1 2 393.835 -0.016 20 0 GBADLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000736197228 599307708 /nfs/dbraw/zinc/30/77/08/599307708.db2.gz LXRSWLNSOYWTAI-AWEZNQCLSA-N 1 2 399.455 -0.069 20 0 GBADLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000736197230 599307369 /nfs/dbraw/zinc/30/73/69/599307369.db2.gz LXRSWLNSOYWTAI-CQSZACIVSA-N 1 2 399.455 -0.069 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000736213133 598405718 /nfs/dbraw/zinc/40/57/18/598405718.db2.gz IAVAOBRCSZTDAT-UHFFFAOYSA-N 1 2 387.444 -0.177 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000736213133 598405716 /nfs/dbraw/zinc/40/57/16/598405716.db2.gz IAVAOBRCSZTDAT-UHFFFAOYSA-N 1 2 387.444 -0.177 20 0 GBADLO CC1(C)COCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736214688 598618430 /nfs/dbraw/zinc/61/84/30/598618430.db2.gz PKZQIPLGGLANED-UHFFFAOYSA-N 1 2 387.444 -0.177 20 0 GBADLO CC1(C)COCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736214688 598618427 /nfs/dbraw/zinc/61/84/27/598618427.db2.gz PKZQIPLGGLANED-UHFFFAOYSA-N 1 2 387.444 -0.177 20 0 GBADLO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[NH+]2CCC(C(N)=O)CC2)C1=O ZINC000736222059 598232866 /nfs/dbraw/zinc/23/28/66/598232866.db2.gz DCLAMEIXPHLRAE-GOSISDBHSA-N 1 2 398.427 -0.212 20 0 GBADLO C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[NH+]2CCC(C(N)=O)CC2)C1=O ZINC000736222062 598232763 /nfs/dbraw/zinc/23/27/63/598232763.db2.gz DCLAMEIXPHLRAE-SFHVURJKSA-N 1 2 398.427 -0.212 20 0 GBADLO CC1CCC([NH+]2CCN(c3c(-c4nn[nH]n4)c(=O)n(C)c(=O)n3C)CC2)CC1 ZINC000736242181 599062423 /nfs/dbraw/zinc/06/24/23/599062423.db2.gz QAWNWPVTOZGIGT-UHFFFAOYSA-N 1 2 388.476 -0.035 20 0 GBADLO C[C@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000736278770 599299965 /nfs/dbraw/zinc/29/99/65/599299965.db2.gz IJMFATDWJXUOFH-BBRMVZONSA-N 1 2 399.455 -0.224 20 0 GBADLO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000736278771 599301145 /nfs/dbraw/zinc/30/11/45/599301145.db2.gz IJMFATDWJXUOFH-CJNGLKHVSA-N 1 2 399.455 -0.224 20 0 GBADLO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000736278772 599301225 /nfs/dbraw/zinc/30/12/25/599301225.db2.gz IJMFATDWJXUOFH-CZUORRHYSA-N 1 2 399.455 -0.224 20 0 GBADLO C[C@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000736278773 599301094 /nfs/dbraw/zinc/30/10/94/599301094.db2.gz IJMFATDWJXUOFH-XJKSGUPXSA-N 1 2 399.455 -0.224 20 0 GBADLO C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736285182 599029672 /nfs/dbraw/zinc/02/96/72/599029672.db2.gz JAQFBNVLIAMNGU-DZGCQCFKSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736285182 599029670 /nfs/dbraw/zinc/02/96/70/599029670.db2.gz JAQFBNVLIAMNGU-DZGCQCFKSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736285183 599029754 /nfs/dbraw/zinc/02/97/54/599029754.db2.gz JAQFBNVLIAMNGU-HIFRSBDPSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736285183 599029752 /nfs/dbraw/zinc/02/97/52/599029752.db2.gz JAQFBNVLIAMNGU-HIFRSBDPSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736285184 599029830 /nfs/dbraw/zinc/02/98/30/599029830.db2.gz JAQFBNVLIAMNGU-UKRRQHHQSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736285184 599029828 /nfs/dbraw/zinc/02/98/28/599029828.db2.gz JAQFBNVLIAMNGU-UKRRQHHQSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736285185 599029392 /nfs/dbraw/zinc/02/93/92/599029392.db2.gz JAQFBNVLIAMNGU-ZFWWWQNUSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736285185 599029390 /nfs/dbraw/zinc/02/93/90/599029390.db2.gz JAQFBNVLIAMNGU-ZFWWWQNUSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736286106 598464866 /nfs/dbraw/zinc/46/48/66/598464866.db2.gz LYKJFNJYDISSDY-DZGCQCFKSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736286106 598464865 /nfs/dbraw/zinc/46/48/65/598464865.db2.gz LYKJFNJYDISSDY-DZGCQCFKSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736286110 598464650 /nfs/dbraw/zinc/46/46/50/598464650.db2.gz LYKJFNJYDISSDY-HIFRSBDPSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736286110 598464648 /nfs/dbraw/zinc/46/46/48/598464648.db2.gz LYKJFNJYDISSDY-HIFRSBDPSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736286113 598464567 /nfs/dbraw/zinc/46/45/67/598464567.db2.gz LYKJFNJYDISSDY-UKRRQHHQSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736286113 598464565 /nfs/dbraw/zinc/46/45/65/598464565.db2.gz LYKJFNJYDISSDY-UKRRQHHQSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736286117 598464439 /nfs/dbraw/zinc/46/44/39/598464439.db2.gz LYKJFNJYDISSDY-ZFWWWQNUSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736286117 598464437 /nfs/dbraw/zinc/46/44/37/598464437.db2.gz LYKJFNJYDISSDY-ZFWWWQNUSA-N 1 2 386.460 -0.261 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC000736289295 598303416 /nfs/dbraw/zinc/30/34/16/598303416.db2.gz VVHASOHTHBNGLA-GFCCVEGCSA-N 1 2 375.437 -0.307 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC000736289295 598303415 /nfs/dbraw/zinc/30/34/15/598303415.db2.gz VVHASOHTHBNGLA-GFCCVEGCSA-N 1 2 375.437 -0.307 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC000736289296 598303526 /nfs/dbraw/zinc/30/35/26/598303526.db2.gz VVHASOHTHBNGLA-LBPRGKRZSA-N 1 2 375.437 -0.307 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CCO1 ZINC000736289296 598303524 /nfs/dbraw/zinc/30/35/24/598303524.db2.gz VVHASOHTHBNGLA-LBPRGKRZSA-N 1 2 375.437 -0.307 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNc2ncccc2-c2nn[nH]n2)CCO1 ZINC000736290064 598303479 /nfs/dbraw/zinc/30/34/79/598303479.db2.gz ZOSPASGGAMRFSU-GFCCVEGCSA-N 1 2 375.437 -0.307 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCNc2ncccc2-c2nn[nH]n2)CCO1 ZINC000736290064 598303477 /nfs/dbraw/zinc/30/34/77/598303477.db2.gz ZOSPASGGAMRFSU-GFCCVEGCSA-N 1 2 375.437 -0.307 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCNc2ncccc2-c2nn[nH]n2)CCO1 ZINC000736290066 598303390 /nfs/dbraw/zinc/30/33/90/598303390.db2.gz ZOSPASGGAMRFSU-LBPRGKRZSA-N 1 2 375.437 -0.307 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)NCCNc2ncccc2-c2nn[nH]n2)CCO1 ZINC000736290066 598303388 /nfs/dbraw/zinc/30/33/88/598303388.db2.gz ZOSPASGGAMRFSU-LBPRGKRZSA-N 1 2 375.437 -0.307 20 0 GBADLO CC(C)[C@H](NC(=O)[O-])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000736360153 599917744 /nfs/dbraw/zinc/91/77/44/599917744.db2.gz PUVLCBXZHXTVJW-KRWDZBQOSA-N 1 2 397.520 -0.025 20 0 GBADLO CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000736360154 599850372 /nfs/dbraw/zinc/85/03/72/599850372.db2.gz PUVLCBXZHXTVJW-QGZVFWFLSA-N 1 2 397.520 -0.025 20 0 GBADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@H+]1CCOC ZINC000736405314 599237101 /nfs/dbraw/zinc/23/71/01/599237101.db2.gz GIVALZVCVWODDB-GFCCVEGCSA-N 1 2 381.462 -0.007 20 0 GBADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@@H+]1CCOC ZINC000736405314 599237100 /nfs/dbraw/zinc/23/71/00/599237100.db2.gz GIVALZVCVWODDB-GFCCVEGCSA-N 1 2 381.462 -0.007 20 0 GBADLO CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@H+]1CCOC ZINC000736405315 599237157 /nfs/dbraw/zinc/23/71/57/599237157.db2.gz GIVALZVCVWODDB-LBPRGKRZSA-N 1 2 381.462 -0.007 20 0 GBADLO CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@@H+]1CCOC ZINC000736405315 599237156 /nfs/dbraw/zinc/23/71/56/599237156.db2.gz GIVALZVCVWODDB-LBPRGKRZSA-N 1 2 381.462 -0.007 20 0 GBADLO CSCC[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000736408738 637586037 /nfs/dbraw/zinc/58/60/37/637586037.db2.gz NNOQDQXZLRXFII-AWEZNQCLSA-N 1 2 393.579 -0.053 20 0 GBADLO CSCC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000736408740 637585862 /nfs/dbraw/zinc/58/58/62/637585862.db2.gz NNOQDQXZLRXFII-CQSZACIVSA-N 1 2 393.579 -0.053 20 0 GBADLO CC[N@H+]1CCO[C@H](CN2CCN(C(=O)c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC000736570057 599029273 /nfs/dbraw/zinc/02/92/73/599029273.db2.gz VMHMYPADPUEXDA-HNNXBMFYSA-N 1 2 386.460 -0.260 20 0 GBADLO CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC000736570057 599029271 /nfs/dbraw/zinc/02/92/71/599029271.db2.gz VMHMYPADPUEXDA-HNNXBMFYSA-N 1 2 386.460 -0.260 20 0 GBADLO CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC000736570061 599029912 /nfs/dbraw/zinc/02/99/12/599029912.db2.gz VMHMYPADPUEXDA-OAHLLOKOSA-N 1 2 386.460 -0.260 20 0 GBADLO CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC000736570061 599029909 /nfs/dbraw/zinc/02/99/09/599029909.db2.gz VMHMYPADPUEXDA-OAHLLOKOSA-N 1 2 386.460 -0.260 20 0 GBADLO C[C@H](C[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)[O-] ZINC000736572749 600365418 /nfs/dbraw/zinc/36/54/18/600365418.db2.gz QIOOKQMUHCKJTR-GFCCVEGCSA-N 1 2 375.433 -0.336 20 0 GBADLO C[C@H](C[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)[O-] ZINC000736572749 600365416 /nfs/dbraw/zinc/36/54/16/600365416.db2.gz QIOOKQMUHCKJTR-GFCCVEGCSA-N 1 2 375.433 -0.336 20 0 GBADLO C[C@@H](C[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)[O-] ZINC000736572751 600365752 /nfs/dbraw/zinc/36/57/52/600365752.db2.gz QIOOKQMUHCKJTR-LBPRGKRZSA-N 1 2 375.433 -0.336 20 0 GBADLO C[C@@H](C[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)[O-] ZINC000736572751 600365748 /nfs/dbraw/zinc/36/57/48/600365748.db2.gz QIOOKQMUHCKJTR-LBPRGKRZSA-N 1 2 375.433 -0.336 20 0 GBADLO CCOC[C@@H](O)C[NH+]1CCN(C(=O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC000736610288 598377356 /nfs/dbraw/zinc/37/73/56/598377356.db2.gz WDERPAJJPAUIAV-AWEZNQCLSA-N 1 2 390.444 -0.213 20 0 GBADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC000736610290 598377107 /nfs/dbraw/zinc/37/71/07/598377107.db2.gz WDERPAJJPAUIAV-CQSZACIVSA-N 1 2 390.444 -0.213 20 0 GBADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000736635279 599282940 /nfs/dbraw/zinc/28/29/40/599282940.db2.gz LGGXLUAMOHHANM-GFCCVEGCSA-N 1 2 389.416 -0.349 20 0 GBADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000736635279 599282937 /nfs/dbraw/zinc/28/29/37/599282937.db2.gz LGGXLUAMOHHANM-GFCCVEGCSA-N 1 2 389.416 -0.349 20 0 GBADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000736635280 599283455 /nfs/dbraw/zinc/28/34/55/599283455.db2.gz LGGXLUAMOHHANM-LBPRGKRZSA-N 1 2 389.416 -0.349 20 0 GBADLO CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000736635280 599283454 /nfs/dbraw/zinc/28/34/54/599283454.db2.gz LGGXLUAMOHHANM-LBPRGKRZSA-N 1 2 389.416 -0.349 20 0 GBADLO CCn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)NC2CC[NH+](C(C)C)CC2)c1=O ZINC000736713674 944876003 /nfs/dbraw/zinc/87/60/03/944876003.db2.gz KYVBZUWWUSAYCP-UHFFFAOYSA-N 1 2 390.448 -0.801 20 0 GBADLO CCn1cc(-c2nn[nH]n2)c(=O)n(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1=O ZINC000736715011 598369211 /nfs/dbraw/zinc/36/92/11/598369211.db2.gz ZXWCPTMVKLXUQR-AWEZNQCLSA-N 1 2 385.428 -0.297 20 0 GBADLO CCn1cc(-c2nn[nH]n2)c(=O)n(C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1=O ZINC000736715011 598369210 /nfs/dbraw/zinc/36/92/10/598369210.db2.gz ZXWCPTMVKLXUQR-AWEZNQCLSA-N 1 2 385.428 -0.297 20 0 GBADLO CCn1cc(-c2nn[nH]n2)c(=O)n(C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1=O ZINC000736715012 598368812 /nfs/dbraw/zinc/36/88/12/598368812.db2.gz ZXWCPTMVKLXUQR-CQSZACIVSA-N 1 2 385.428 -0.297 20 0 GBADLO CCn1cc(-c2nn[nH]n2)c(=O)n(C[C@H](O)C[N@H+](C)Cc2ccccc2)c1=O ZINC000736715012 598368810 /nfs/dbraw/zinc/36/88/10/598368810.db2.gz ZXWCPTMVKLXUQR-CQSZACIVSA-N 1 2 385.428 -0.297 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736745725 598596480 /nfs/dbraw/zinc/59/64/80/598596480.db2.gz BATCOPVCAKVTQO-UHFFFAOYSA-N 1 2 393.473 -0.302 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000736747582 598596219 /nfs/dbraw/zinc/59/62/19/598596219.db2.gz RWVFWAKXYKRTNV-UHFFFAOYSA-N 1 2 394.461 -0.907 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736748326 598596455 /nfs/dbraw/zinc/59/64/55/598596455.db2.gz YHVFSRDODHRWNL-UHFFFAOYSA-N 1 2 393.473 -0.302 20 0 GBADLO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000736765447 599033015 /nfs/dbraw/zinc/03/30/15/599033015.db2.gz WVYATHDFFZEDCF-UHFFFAOYSA-N 1 2 397.436 -0.600 20 0 GBADLO CN(CC[NH+]1CCOCC1)C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000736798803 598271301 /nfs/dbraw/zinc/27/13/01/598271301.db2.gz HIQYQHFUGXISQL-UHFFFAOYSA-N 1 2 375.437 -0.353 20 0 GBADLO CN(CC[NH+]1CCOCC1)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000736798862 598269239 /nfs/dbraw/zinc/26/92/39/598269239.db2.gz JUFLVMGUJVWOJU-UHFFFAOYSA-N 1 2 375.437 -0.353 20 0 GBADLO CN1C(=O)C(=O)N(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1=O ZINC000736844151 598722776 /nfs/dbraw/zinc/72/27/76/598722776.db2.gz SGAQSKBTFPWOSM-UHFFFAOYSA-N 1 2 384.400 -0.243 20 0 GBADLO CN1C(=O)C(=O)N(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1=O ZINC000736844151 598722775 /nfs/dbraw/zinc/72/27/75/598722775.db2.gz SGAQSKBTFPWOSM-UHFFFAOYSA-N 1 2 384.400 -0.243 20 0 GBADLO CN1C(=O)N[C@]2(CC[N@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1=O ZINC000736846533 598760738 /nfs/dbraw/zinc/76/07/38/598760738.db2.gz RFYRGGPJXCAIDI-ACJLOTCBSA-N 1 2 396.411 -0.402 20 0 GBADLO CN1C(=O)N[C@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1=O ZINC000736846533 598760736 /nfs/dbraw/zinc/76/07/36/598760736.db2.gz RFYRGGPJXCAIDI-ACJLOTCBSA-N 1 2 396.411 -0.402 20 0 GBADLO CN1C(=O)N[C@@]2(CC[N@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1=O ZINC000736846535 598760823 /nfs/dbraw/zinc/76/08/23/598760823.db2.gz RFYRGGPJXCAIDI-FZKQIMNGSA-N 1 2 396.411 -0.402 20 0 GBADLO CN1C(=O)N[C@@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1=O ZINC000736846535 598760822 /nfs/dbraw/zinc/76/08/22/598760822.db2.gz RFYRGGPJXCAIDI-FZKQIMNGSA-N 1 2 396.411 -0.402 20 0 GBADLO CN1C(=O)N[C@@]2(CC[N@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1=O ZINC000736846538 598760708 /nfs/dbraw/zinc/76/07/08/598760708.db2.gz RFYRGGPJXCAIDI-SCLBCKFNSA-N 1 2 396.411 -0.402 20 0 GBADLO CN1C(=O)N[C@@]2(CC[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1=O ZINC000736846538 598760706 /nfs/dbraw/zinc/76/07/06/598760706.db2.gz RFYRGGPJXCAIDI-SCLBCKFNSA-N 1 2 396.411 -0.402 20 0 GBADLO CN1C(=O)N[C@]2(CC[N@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1=O ZINC000736846541 598760874 /nfs/dbraw/zinc/76/08/74/598760874.db2.gz RFYRGGPJXCAIDI-UGSOOPFHSA-N 1 2 396.411 -0.402 20 0 GBADLO CN1C(=O)N[C@]2(CC[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)C1=O ZINC000736846541 598760873 /nfs/dbraw/zinc/76/08/73/598760873.db2.gz RFYRGGPJXCAIDI-UGSOOPFHSA-N 1 2 396.411 -0.402 20 0 GBADLO CN1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000736857961 599602928 /nfs/dbraw/zinc/60/29/28/599602928.db2.gz VOKCLUKJNSQWLS-HNNXBMFYSA-N 1 2 384.444 -0.075 20 0 GBADLO CN1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000736857970 599602581 /nfs/dbraw/zinc/60/25/81/599602581.db2.gz VOKCLUKJNSQWLS-OAHLLOKOSA-N 1 2 384.444 -0.075 20 0 GBADLO CC[C@](C)([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)[O-] ZINC000736861195 600561018 /nfs/dbraw/zinc/56/10/18/600561018.db2.gz HYNBLNXLBDDZGW-KRWDZBQOSA-N 1 2 375.433 -0.145 20 0 GBADLO CC[C@@](C)([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)[O-] ZINC000736861196 600561234 /nfs/dbraw/zinc/56/12/34/600561234.db2.gz HYNBLNXLBDDZGW-QGZVFWFLSA-N 1 2 375.433 -0.145 20 0 GBADLO CN1CC[NH+](C[C@H]2CN(C(=O)Cc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000736862955 598345180 /nfs/dbraw/zinc/34/51/80/598345180.db2.gz GXZWMKUUGIQUKH-KRWDZBQOSA-N 1 2 385.472 -0.116 20 0 GBADLO CN1CC[NH+](C[C@@H]2CN(C(=O)Cc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000736862958 598345174 /nfs/dbraw/zinc/34/51/74/598345174.db2.gz GXZWMKUUGIQUKH-QGZVFWFLSA-N 1 2 385.472 -0.116 20 0 GBADLO CN1CC[NH+](CCCCNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000736863033 598406451 /nfs/dbraw/zinc/40/64/51/598406451.db2.gz HJYNSVZRNFPGJR-UHFFFAOYSA-N 1 2 380.478 -0.432 20 0 GBADLO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736865141 598635781 /nfs/dbraw/zinc/63/57/81/598635781.db2.gz VVDCHPSCWKTPAU-UHFFFAOYSA-N 1 2 390.423 -0.302 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 ZINC000736866456 598258001 /nfs/dbraw/zinc/25/80/01/598258001.db2.gz GJQAVVRPYAWPAC-AWEZNQCLSA-N 1 2 387.448 -0.576 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 ZINC000736866456 598257998 /nfs/dbraw/zinc/25/79/98/598257998.db2.gz GJQAVVRPYAWPAC-AWEZNQCLSA-N 1 2 387.448 -0.576 20 0 GBADLO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 ZINC000736866458 598257672 /nfs/dbraw/zinc/25/76/72/598257672.db2.gz GJQAVVRPYAWPAC-CQSZACIVSA-N 1 2 387.448 -0.576 20 0 GBADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 ZINC000736866458 598257671 /nfs/dbraw/zinc/25/76/71/598257671.db2.gz GJQAVVRPYAWPAC-CQSZACIVSA-N 1 2 387.448 -0.576 20 0 GBADLO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000736867115 598436294 /nfs/dbraw/zinc/43/62/94/598436294.db2.gz JICBYSKRXPVVQC-CYBMUJFWSA-N 1 2 383.416 -0.305 20 0 GBADLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000736867115 598436292 /nfs/dbraw/zinc/43/62/92/598436292.db2.gz JICBYSKRXPVVQC-CYBMUJFWSA-N 1 2 383.416 -0.305 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000736867120 598436339 /nfs/dbraw/zinc/43/63/39/598436339.db2.gz JICBYSKRXPVVQC-ZDUSSCGKSA-N 1 2 383.416 -0.305 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C1 ZINC000736867120 598436338 /nfs/dbraw/zinc/43/63/38/598436338.db2.gz JICBYSKRXPVVQC-ZDUSSCGKSA-N 1 2 383.416 -0.305 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)C1 ZINC000736867621 599318082 /nfs/dbraw/zinc/31/80/82/599318082.db2.gz LGXKXXXDPCERCI-AWEZNQCLSA-N 1 2 375.408 -0.015 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)C1 ZINC000736867621 599318080 /nfs/dbraw/zinc/31/80/80/599318080.db2.gz LGXKXXXDPCERCI-AWEZNQCLSA-N 1 2 375.408 -0.015 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)C1 ZINC000736867629 599318979 /nfs/dbraw/zinc/31/89/79/599318979.db2.gz LGXKXXXDPCERCI-CQSZACIVSA-N 1 2 375.408 -0.015 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)C1 ZINC000736867629 599318977 /nfs/dbraw/zinc/31/89/77/599318977.db2.gz LGXKXXXDPCERCI-CQSZACIVSA-N 1 2 375.408 -0.015 20 0 GBADLO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC000736867637 598257901 /nfs/dbraw/zinc/25/79/01/598257901.db2.gz LPSVENZDKHOKAI-CYBMUJFWSA-N 1 2 387.448 -0.576 20 0 GBADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC000736867637 598257899 /nfs/dbraw/zinc/25/78/99/598257899.db2.gz LPSVENZDKHOKAI-CYBMUJFWSA-N 1 2 387.448 -0.576 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC000736867640 598257624 /nfs/dbraw/zinc/25/76/24/598257624.db2.gz LPSVENZDKHOKAI-ZDUSSCGKSA-N 1 2 387.448 -0.576 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC000736867640 598257623 /nfs/dbraw/zinc/25/76/23/598257623.db2.gz LPSVENZDKHOKAI-ZDUSSCGKSA-N 1 2 387.448 -0.576 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736867700 598331649 /nfs/dbraw/zinc/33/16/49/598331649.db2.gz MNIKCYBMQORCBT-JTQLQIEISA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736867700 598331647 /nfs/dbraw/zinc/33/16/47/598331647.db2.gz MNIKCYBMQORCBT-JTQLQIEISA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736867703 598331300 /nfs/dbraw/zinc/33/13/00/598331300.db2.gz MNIKCYBMQORCBT-SNVBAGLBSA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736867703 598331298 /nfs/dbraw/zinc/33/12/98/598331298.db2.gz MNIKCYBMQORCBT-SNVBAGLBSA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000736867767 599283097 /nfs/dbraw/zinc/28/30/97/599283097.db2.gz NWIUVKUJAHYCQT-JTQLQIEISA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000736867767 599283094 /nfs/dbraw/zinc/28/30/94/599283094.db2.gz NWIUVKUJAHYCQT-JTQLQIEISA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000736867768 599282791 /nfs/dbraw/zinc/28/27/91/599282791.db2.gz NWIUVKUJAHYCQT-SNVBAGLBSA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC000736867768 599282788 /nfs/dbraw/zinc/28/27/88/599282788.db2.gz NWIUVKUJAHYCQT-SNVBAGLBSA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC000736868183 598255496 /nfs/dbraw/zinc/25/54/96/598255496.db2.gz QMALSUJRUMHLCB-AWEZNQCLSA-N 1 2 387.448 -0.576 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC000736868183 598255494 /nfs/dbraw/zinc/25/54/94/598255494.db2.gz QMALSUJRUMHLCB-AWEZNQCLSA-N 1 2 387.448 -0.576 20 0 GBADLO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC000736868184 598255168 /nfs/dbraw/zinc/25/51/68/598255168.db2.gz QMALSUJRUMHLCB-CQSZACIVSA-N 1 2 387.448 -0.576 20 0 GBADLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC000736868184 598255166 /nfs/dbraw/zinc/25/51/66/598255166.db2.gz QMALSUJRUMHLCB-CQSZACIVSA-N 1 2 387.448 -0.576 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000736873112 598998747 /nfs/dbraw/zinc/99/87/47/598998747.db2.gz GEHJJSCXCAFAOX-UHFFFAOYSA-N 1 2 393.473 -0.336 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)CC1 ZINC000736873765 598951104 /nfs/dbraw/zinc/95/11/04/598951104.db2.gz LNCCQRUOGOXELT-UHFFFAOYSA-N 1 2 393.473 -0.336 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000736873776 598690111 /nfs/dbraw/zinc/69/01/11/598690111.db2.gz LSRPMCLSFYYLLR-UHFFFAOYSA-N 1 2 397.436 -0.506 20 0 GBADLO CNS(=O)(=O)C1CC[NH+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736881575 598704066 /nfs/dbraw/zinc/70/40/66/598704066.db2.gz DKMZFQVMMOGVIC-UHFFFAOYSA-N 1 2 393.473 -0.504 20 0 GBADLO CNS(=O)(=O)C1CC[NH+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736881613 598703790 /nfs/dbraw/zinc/70/37/90/598703790.db2.gz FNOAPUABBSZOLA-UHFFFAOYSA-N 1 2 393.473 -0.504 20 0 GBADLO CNS(=O)(=O)CCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736883801 598813280 /nfs/dbraw/zinc/81/32/80/598813280.db2.gz RILWXASIIFLZET-UHFFFAOYSA-N 1 2 379.490 -0.076 20 0 GBADLO CNS(=O)(=O)CCC[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736885222 598700674 /nfs/dbraw/zinc/70/06/74/598700674.db2.gz ZPRAQSHPRRHQKA-UHFFFAOYSA-N 1 2 396.477 -0.207 20 0 GBADLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000736901978 598861418 /nfs/dbraw/zinc/86/14/18/598861418.db2.gz QCPJATNDRAWZMI-HNNXBMFYSA-N 1 2 388.428 -0.099 20 0 GBADLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000736901980 598861076 /nfs/dbraw/zinc/86/10/76/598861076.db2.gz QCPJATNDRAWZMI-OAHLLOKOSA-N 1 2 388.428 -0.099 20 0 GBADLO CO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)C1 ZINC000736961737 598554824 /nfs/dbraw/zinc/55/48/24/598554824.db2.gz LSZMVGUOTDEIJI-CYBMUJFWSA-N 1 2 390.448 -0.077 20 0 GBADLO CO[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)C1 ZINC000736961737 598554822 /nfs/dbraw/zinc/55/48/22/598554822.db2.gz LSZMVGUOTDEIJI-CYBMUJFWSA-N 1 2 390.448 -0.077 20 0 GBADLO CO[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)C1 ZINC000736961739 598554794 /nfs/dbraw/zinc/55/47/94/598554794.db2.gz LSZMVGUOTDEIJI-ZDUSSCGKSA-N 1 2 390.448 -0.077 20 0 GBADLO CO[C@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)C1 ZINC000736961739 598554793 /nfs/dbraw/zinc/55/47/93/598554793.db2.gz LSZMVGUOTDEIJI-ZDUSSCGKSA-N 1 2 390.448 -0.077 20 0 GBADLO COCCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736980853 598395043 /nfs/dbraw/zinc/39/50/43/598395043.db2.gz FZECNANMXCERRN-UHFFFAOYSA-N 1 2 378.437 -0.823 20 0 GBADLO COCC[N@@H+](C)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736989725 598408639 /nfs/dbraw/zinc/40/86/39/598408639.db2.gz FSGWPRGCCFHUIF-UHFFFAOYSA-N 1 2 396.473 -0.524 20 0 GBADLO COCC[N@H+](C)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736989725 598408636 /nfs/dbraw/zinc/40/86/36/598408636.db2.gz FSGWPRGCCFHUIF-UHFFFAOYSA-N 1 2 396.473 -0.524 20 0 GBADLO COCCN(C)S(=O)(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736991172 598709729 /nfs/dbraw/zinc/70/97/29/598709729.db2.gz ZGBVYUXKXRYRRM-UHFFFAOYSA-N 1 2 395.489 -0.193 20 0 GBADLO COCC[N@@H+](CCO)CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000736995168 599586728 /nfs/dbraw/zinc/58/67/28/599586728.db2.gz OHQXXKHHYZIOLW-UHFFFAOYSA-N 1 2 386.416 -0.068 20 0 GBADLO COCC[N@H+](CCO)CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000736995168 599586725 /nfs/dbraw/zinc/58/67/25/599586725.db2.gz OHQXXKHHYZIOLW-UHFFFAOYSA-N 1 2 386.416 -0.068 20 0 GBADLO COCCNC(=O)CN1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737006275 599084911 /nfs/dbraw/zinc/08/49/11/599084911.db2.gz IPEYEAWMAAIHOD-UHFFFAOYSA-N 1 2 389.460 -0.374 20 0 GBADLO COCCNC(=O)CN1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000737007398 598678355 /nfs/dbraw/zinc/67/83/55/598678355.db2.gz RNKVWYCPUQBFAH-UHFFFAOYSA-N 1 2 377.424 -0.114 20 0 GBADLO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000737031320 598980184 /nfs/dbraw/zinc/98/01/84/598980184.db2.gz FPPWGCGLQBLAGD-UHFFFAOYSA-N 1 2 389.460 -0.040 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000737059518 599284050 /nfs/dbraw/zinc/28/40/50/599284050.db2.gz VXHUJICSLPDAFU-LLVKDONJSA-N 1 2 375.389 -0.739 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000737059518 599284048 /nfs/dbraw/zinc/28/40/48/599284048.db2.gz VXHUJICSLPDAFU-LLVKDONJSA-N 1 2 375.389 -0.739 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000737059519 599284206 /nfs/dbraw/zinc/28/42/06/599284206.db2.gz VXHUJICSLPDAFU-NSHDSACASA-N 1 2 375.389 -0.739 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000737059519 599284205 /nfs/dbraw/zinc/28/42/05/599284205.db2.gz VXHUJICSLPDAFU-NSHDSACASA-N 1 2 375.389 -0.739 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737162398 598591180 /nfs/dbraw/zinc/59/11/80/598591180.db2.gz JYBPZFQZCWDOAE-UHFFFAOYSA-N 1 2 379.446 -0.500 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737169483 599068486 /nfs/dbraw/zinc/06/84/86/599068486.db2.gz ZHBNIKVANVFOFX-BXUZGUMPSA-N 1 2 393.473 -0.346 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737169483 599068485 /nfs/dbraw/zinc/06/84/85/599068485.db2.gz ZHBNIKVANVFOFX-BXUZGUMPSA-N 1 2 393.473 -0.346 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737169484 599067982 /nfs/dbraw/zinc/06/79/82/599067982.db2.gz ZHBNIKVANVFOFX-FZMZJTMJSA-N 1 2 393.473 -0.346 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737169484 599067979 /nfs/dbraw/zinc/06/79/79/599067979.db2.gz ZHBNIKVANVFOFX-FZMZJTMJSA-N 1 2 393.473 -0.346 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737169485 599068186 /nfs/dbraw/zinc/06/81/86/599068186.db2.gz ZHBNIKVANVFOFX-RISCZKNCSA-N 1 2 393.473 -0.346 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737169485 599068184 /nfs/dbraw/zinc/06/81/84/599068184.db2.gz ZHBNIKVANVFOFX-RISCZKNCSA-N 1 2 393.473 -0.346 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737169486 599067690 /nfs/dbraw/zinc/06/76/90/599067690.db2.gz ZHBNIKVANVFOFX-SMDDNHRTSA-N 1 2 393.473 -0.346 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737169486 599067688 /nfs/dbraw/zinc/06/76/88/599067688.db2.gz ZHBNIKVANVFOFX-SMDDNHRTSA-N 1 2 393.473 -0.346 20 0 GBADLO Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000737200972 598375668 /nfs/dbraw/zinc/37/56/68/598375668.db2.gz OTASKQOFWFXVGG-UHFFFAOYSA-N 1 2 388.432 -0.935 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[NH+]3CCSCC3)CC2)o1 ZINC000737466772 598759157 /nfs/dbraw/zinc/75/91/57/598759157.db2.gz CONQHEVCFBNUNX-UHFFFAOYSA-N 1 2 378.462 -0.139 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCOC3)CC2)o1 ZINC000737466851 598406905 /nfs/dbraw/zinc/40/69/05/598406905.db2.gz FDEJBMWCBGAXJZ-GFCCVEGCSA-N 1 2 376.421 -0.468 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCOC3)CC2)o1 ZINC000737466851 598406903 /nfs/dbraw/zinc/40/69/03/598406903.db2.gz FDEJBMWCBGAXJZ-GFCCVEGCSA-N 1 2 376.421 -0.468 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)[C@H]3CCOC3)CC2)o1 ZINC000737466852 598407603 /nfs/dbraw/zinc/40/76/03/598407603.db2.gz FDEJBMWCBGAXJZ-LBPRGKRZSA-N 1 2 376.421 -0.468 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCOC3)CC2)o1 ZINC000737466852 598407602 /nfs/dbraw/zinc/40/76/02/598407602.db2.gz FDEJBMWCBGAXJZ-LBPRGKRZSA-N 1 2 376.421 -0.468 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)C[C@H]3CCCO3)CC2)o1 ZINC000737467043 598553353 /nfs/dbraw/zinc/55/33/53/598553353.db2.gz KHDHKHPMZJZXIU-CYBMUJFWSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)C[C@H]3CCCO3)CC2)o1 ZINC000737467043 598553351 /nfs/dbraw/zinc/55/33/51/598553351.db2.gz KHDHKHPMZJZXIU-CYBMUJFWSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)C[C@@H]3CCCO3)CC2)o1 ZINC000737467046 598553269 /nfs/dbraw/zinc/55/32/69/598553269.db2.gz KHDHKHPMZJZXIU-ZDUSSCGKSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)C[C@@H]3CCCO3)CC2)o1 ZINC000737467046 598553266 /nfs/dbraw/zinc/55/32/66/598553266.db2.gz KHDHKHPMZJZXIU-ZDUSSCGKSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](CCCO)C3CC3)CC2)o1 ZINC000737467795 598988963 /nfs/dbraw/zinc/98/89/63/598988963.db2.gz SWOKTSIBIMPXCS-UHFFFAOYSA-N 1 2 390.448 -0.341 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](CCCO)C3CC3)CC2)o1 ZINC000737467795 598988962 /nfs/dbraw/zinc/98/89/62/598988962.db2.gz SWOKTSIBIMPXCS-UHFFFAOYSA-N 1 2 390.448 -0.341 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCCO[C@H](C)C3)CC2)o1 ZINC000737468072 598462500 /nfs/dbraw/zinc/46/25/00/598462500.db2.gz XVIAWQOFXNSCLJ-GFCCVEGCSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CCCO[C@H](C)C3)CC2)o1 ZINC000737468072 598462497 /nfs/dbraw/zinc/46/24/97/598462497.db2.gz XVIAWQOFXNSCLJ-GFCCVEGCSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCCO[C@@H](C)C3)CC2)o1 ZINC000737468073 598462615 /nfs/dbraw/zinc/46/26/15/598462615.db2.gz XVIAWQOFXNSCLJ-LBPRGKRZSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CCCO[C@@H](C)C3)CC2)o1 ZINC000737468073 598462613 /nfs/dbraw/zinc/46/26/13/598462613.db2.gz XVIAWQOFXNSCLJ-LBPRGKRZSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nnc(CN2CC[NH+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]1 ZINC000737477248 599357913 /nfs/dbraw/zinc/35/79/13/599357913.db2.gz LTXNKPMLNQSEIY-HNNXBMFYSA-N 1 2 399.459 -0.149 20 0 GBADLO Cc1nnc(CN2CC[NH+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]1 ZINC000737477250 599357888 /nfs/dbraw/zinc/35/78/88/599357888.db2.gz LTXNKPMLNQSEIY-OAHLLOKOSA-N 1 2 399.459 -0.149 20 0 GBADLO CN(C(=O)CCCNC(=O)[O-])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000737514767 602676289 /nfs/dbraw/zinc/67/62/89/602676289.db2.gz AZYRMVSFVWAUQX-UHFFFAOYSA-N 1 2 383.493 -0.269 20 0 GBADLO CN(C(=O)C(C)(C)NC(=O)[O-])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000737516344 602676427 /nfs/dbraw/zinc/67/64/27/602676427.db2.gz WCORUENSHPVZMX-UHFFFAOYSA-N 1 2 383.493 -0.271 20 0 GBADLO Cc1oc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(-c2nn[nH]n2)c1C ZINC000737550655 598568038 /nfs/dbraw/zinc/56/80/38/598568038.db2.gz BLSNJPNKISWLHW-UHFFFAOYSA-N 1 2 388.388 -0.311 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(NCC2([NH+]3CCCC3)CCOCC2)n(C)c1=O ZINC000737595085 598245499 /nfs/dbraw/zinc/24/54/99/598245499.db2.gz FLZTZOHMRGMYOC-UHFFFAOYSA-N 1 2 390.448 -0.679 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(NC2CC[NH+](C[C@H]3CCOC3)CC2)n(C)c1=O ZINC000737595609 599441212 /nfs/dbraw/zinc/44/12/12/599441212.db2.gz IYDWIACMBHHLKF-LLVKDONJSA-N 1 2 390.448 -0.823 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)n(C)c1=O ZINC000737595610 599441809 /nfs/dbraw/zinc/44/18/09/599441809.db2.gz IYDWIACMBHHLKF-NSHDSACASA-N 1 2 390.448 -0.823 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000737627591 598458497 /nfs/dbraw/zinc/45/84/97/598458497.db2.gz KPCKLPAMTNXPJO-UHFFFAOYSA-N 1 2 391.399 -0.099 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000737629496 599021496 /nfs/dbraw/zinc/02/14/96/599021496.db2.gz WNDCWXRMESHIQS-UHFFFAOYSA-N 1 2 391.399 -0.099 20 0 GBADLO COC(=O)[C@@H]1C[C@@H](O)C[NH+]1Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000737642731 600141720 /nfs/dbraw/zinc/14/17/20/600141720.db2.gz NKIVOUNXJHPFFI-NCOADZHNSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@@H](O)C[NH+]1Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000737642731 600141719 /nfs/dbraw/zinc/14/17/19/600141719.db2.gz NKIVOUNXJHPFFI-NCOADZHNSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C[NH+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000737642731 600141718 /nfs/dbraw/zinc/14/17/18/600141718.db2.gz NKIVOUNXJHPFFI-NCOADZHNSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C[NH+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000737642731 600141717 /nfs/dbraw/zinc/14/17/17/600141717.db2.gz NKIVOUNXJHPFFI-NCOADZHNSA-N 1 2 378.425 -0.185 20 0 GBADLO NC(=O)[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736033 599085660 /nfs/dbraw/zinc/08/56/60/599085660.db2.gz HBLGTNMAOYEQNH-AWEZNQCLSA-N 1 2 387.425 -0.170 20 0 GBADLO NC(=O)[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736034 599086130 /nfs/dbraw/zinc/08/61/30/599086130.db2.gz HBLGTNMAOYEQNH-CQSZACIVSA-N 1 2 387.425 -0.170 20 0 GBADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000737738608 599077919 /nfs/dbraw/zinc/07/79/19/599077919.db2.gz GWEPMEYSQZWFBA-GWCFXTLKSA-N 1 2 379.446 -0.606 20 0 GBADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000737738608 599077916 /nfs/dbraw/zinc/07/79/16/599077916.db2.gz GWEPMEYSQZWFBA-GWCFXTLKSA-N 1 2 379.446 -0.606 20 0 GBADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000737738612 599077334 /nfs/dbraw/zinc/07/73/34/599077334.db2.gz GWEPMEYSQZWFBA-GXFFZTMASA-N 1 2 379.446 -0.606 20 0 GBADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000737738612 599077331 /nfs/dbraw/zinc/07/73/31/599077331.db2.gz GWEPMEYSQZWFBA-GXFFZTMASA-N 1 2 379.446 -0.606 20 0 GBADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000737738618 599077492 /nfs/dbraw/zinc/07/74/92/599077492.db2.gz GWEPMEYSQZWFBA-MFKMUULPSA-N 1 2 379.446 -0.606 20 0 GBADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000737738618 599077489 /nfs/dbraw/zinc/07/74/89/599077489.db2.gz GWEPMEYSQZWFBA-MFKMUULPSA-N 1 2 379.446 -0.606 20 0 GBADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000737738625 599077586 /nfs/dbraw/zinc/07/75/86/599077586.db2.gz GWEPMEYSQZWFBA-ZWNOBZJWSA-N 1 2 379.446 -0.606 20 0 GBADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000737738625 599077583 /nfs/dbraw/zinc/07/75/83/599077583.db2.gz GWEPMEYSQZWFBA-ZWNOBZJWSA-N 1 2 379.446 -0.606 20 0 GBADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737753077 598605287 /nfs/dbraw/zinc/60/52/87/598605287.db2.gz KYDBWGRBULIQBV-INIZCTEOSA-N 1 2 398.471 -0.145 20 0 GBADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737753077 598605286 /nfs/dbraw/zinc/60/52/86/598605286.db2.gz KYDBWGRBULIQBV-INIZCTEOSA-N 1 2 398.471 -0.145 20 0 GBADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737753079 598605180 /nfs/dbraw/zinc/60/51/80/598605180.db2.gz KYDBWGRBULIQBV-MRXNPFEDSA-N 1 2 398.471 -0.145 20 0 GBADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737753079 598605179 /nfs/dbraw/zinc/60/51/79/598605179.db2.gz KYDBWGRBULIQBV-MRXNPFEDSA-N 1 2 398.471 -0.145 20 0 GBADLO NC(=O)CNC(=S)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737753809 598417131 /nfs/dbraw/zinc/41/71/31/598417131.db2.gz RQGHLLPJGKWRCQ-UHFFFAOYSA-N 1 2 397.468 -0.103 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737763361 598898133 /nfs/dbraw/zinc/89/81/33/598898133.db2.gz CBJMRWIOKNRRCP-LLVKDONJSA-N 1 2 379.446 -0.194 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737763361 598898132 /nfs/dbraw/zinc/89/81/32/598898132.db2.gz CBJMRWIOKNRRCP-LLVKDONJSA-N 1 2 379.446 -0.194 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737763363 598897732 /nfs/dbraw/zinc/89/77/32/598897732.db2.gz CBJMRWIOKNRRCP-NSHDSACASA-N 1 2 379.446 -0.194 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737763363 598897730 /nfs/dbraw/zinc/89/77/30/598897730.db2.gz CBJMRWIOKNRRCP-NSHDSACASA-N 1 2 379.446 -0.194 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737763630 598917615 /nfs/dbraw/zinc/91/76/15/598917615.db2.gz DNABSKXGLUWFQE-CYBMUJFWSA-N 1 2 379.446 -0.764 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737763630 598917613 /nfs/dbraw/zinc/91/76/13/598917613.db2.gz DNABSKXGLUWFQE-CYBMUJFWSA-N 1 2 379.446 -0.764 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737763631 598917331 /nfs/dbraw/zinc/91/73/31/598917331.db2.gz DNABSKXGLUWFQE-ZDUSSCGKSA-N 1 2 379.446 -0.764 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737763631 598917329 /nfs/dbraw/zinc/91/73/29/598917329.db2.gz DNABSKXGLUWFQE-ZDUSSCGKSA-N 1 2 379.446 -0.764 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737764664 598428305 /nfs/dbraw/zinc/42/83/05/598428305.db2.gz JZQVCQICHGDKTF-LLVKDONJSA-N 1 2 394.461 -0.690 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737764664 598428304 /nfs/dbraw/zinc/42/83/04/598428304.db2.gz JZQVCQICHGDKTF-LLVKDONJSA-N 1 2 394.461 -0.690 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737764666 598428258 /nfs/dbraw/zinc/42/82/58/598428258.db2.gz JZQVCQICHGDKTF-NSHDSACASA-N 1 2 394.461 -0.690 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737764666 598428257 /nfs/dbraw/zinc/42/82/57/598428257.db2.gz JZQVCQICHGDKTF-NSHDSACASA-N 1 2 394.461 -0.690 20 0 GBADLO NS(=O)(=O)CCC[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000737764688 598510512 /nfs/dbraw/zinc/51/05/12/598510512.db2.gz KFPKIGKMHSGHRN-UHFFFAOYSA-N 1 2 382.450 -0.467 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737764993 598916050 /nfs/dbraw/zinc/91/60/50/598916050.db2.gz PYKVOEJGFRLYJK-LLVKDONJSA-N 1 2 379.446 -0.194 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737764993 598916049 /nfs/dbraw/zinc/91/60/49/598916049.db2.gz PYKVOEJGFRLYJK-LLVKDONJSA-N 1 2 379.446 -0.194 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737764995 598916142 /nfs/dbraw/zinc/91/61/42/598916142.db2.gz PYKVOEJGFRLYJK-NSHDSACASA-N 1 2 379.446 -0.194 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737764995 598916140 /nfs/dbraw/zinc/91/61/40/598916140.db2.gz PYKVOEJGFRLYJK-NSHDSACASA-N 1 2 379.446 -0.194 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737766154 598917659 /nfs/dbraw/zinc/91/76/59/598917659.db2.gz YJTQYBORTHLNLJ-CYBMUJFWSA-N 1 2 379.446 -0.764 20 0 GBADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737766154 598917657 /nfs/dbraw/zinc/91/76/57/598917657.db2.gz YJTQYBORTHLNLJ-CYBMUJFWSA-N 1 2 379.446 -0.764 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737766157 598917799 /nfs/dbraw/zinc/91/77/99/598917799.db2.gz YJTQYBORTHLNLJ-ZDUSSCGKSA-N 1 2 379.446 -0.764 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737766157 598917797 /nfs/dbraw/zinc/91/77/97/598917797.db2.gz YJTQYBORTHLNLJ-ZDUSSCGKSA-N 1 2 379.446 -0.764 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737766744 598377708 /nfs/dbraw/zinc/37/77/08/598377708.db2.gz VTMCEIHRGGNCHH-LLVKDONJSA-N 1 2 394.461 -0.690 20 0 GBADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737766744 598377707 /nfs/dbraw/zinc/37/77/07/598377707.db2.gz VTMCEIHRGGNCHH-LLVKDONJSA-N 1 2 394.461 -0.690 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737766746 598377400 /nfs/dbraw/zinc/37/74/00/598377400.db2.gz VTMCEIHRGGNCHH-NSHDSACASA-N 1 2 394.461 -0.690 20 0 GBADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737766746 598377398 /nfs/dbraw/zinc/37/73/98/598377398.db2.gz VTMCEIHRGGNCHH-NSHDSACASA-N 1 2 394.461 -0.690 20 0 GBADLO O=C(C[N@H+](CCO)CCCO)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000737863641 598620192 /nfs/dbraw/zinc/62/01/92/598620192.db2.gz GLMSSFDJRRBYCF-UHFFFAOYSA-N 1 2 386.416 -0.332 20 0 GBADLO O=C(C[N@@H+](CCO)CCCO)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000737863641 598620191 /nfs/dbraw/zinc/62/01/91/598620191.db2.gz GLMSSFDJRRBYCF-UHFFFAOYSA-N 1 2 386.416 -0.332 20 0 GBADLO O=C(CN1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1)N1CCOCC1 ZINC000737872450 598679044 /nfs/dbraw/zinc/67/90/44/598679044.db2.gz ICMSYDNTCYSUDA-UHFFFAOYSA-N 1 2 389.435 -0.018 20 0 GBADLO O=C(C[NH+]1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1)N1CCOCC1 ZINC000737880900 598631343 /nfs/dbraw/zinc/63/13/43/598631343.db2.gz DJDIJXSFYWTKDG-UHFFFAOYSA-N 1 2 375.408 -0.013 20 0 GBADLO O=C(C[NH+]1CCN(c2nc3ccccn3c2-c2nn[nH]n2)CC1)N1CCOCC1 ZINC000737884787 598567002 /nfs/dbraw/zinc/56/70/02/598567002.db2.gz WPKORMJZOHLRRV-UHFFFAOYSA-N 1 2 397.443 -0.505 20 0 GBADLO O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000737896767 598932342 /nfs/dbraw/zinc/93/23/42/598932342.db2.gz YKELQIXNQINSSY-UHFFFAOYSA-N 1 2 382.432 -0.286 20 0 GBADLO O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000737918346 598931405 /nfs/dbraw/zinc/93/14/05/598931405.db2.gz BLIAGEQCKHPPGC-UHFFFAOYSA-N 1 2 383.416 -0.319 20 0 GBADLO O=C(COc1ccccc1-c1nn[nH]n1)N1CC[NH+](CCn2cncn2)CC1 ZINC000737924682 598931361 /nfs/dbraw/zinc/93/13/61/598931361.db2.gz IMCBELMQVQHLNN-UHFFFAOYSA-N 1 2 383.416 -0.319 20 0 GBADLO O=C(COc1cccc(-c2nn[nH]n2)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000737924764 598931570 /nfs/dbraw/zinc/93/15/70/598931570.db2.gz KMFVEVJWXVTUAG-UHFFFAOYSA-N 1 2 383.416 -0.319 20 0 GBADLO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000737960436 599387127 /nfs/dbraw/zinc/38/71/27/599387127.db2.gz HBBHMYAYYSOOFI-INIZCTEOSA-N 1 2 399.455 -0.542 20 0 GBADLO O=C(Cc1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000737960437 599387808 /nfs/dbraw/zinc/38/78/08/599387808.db2.gz HBBHMYAYYSOOFI-MRXNPFEDSA-N 1 2 399.455 -0.542 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000738022008 599344895 /nfs/dbraw/zinc/34/48/95/599344895.db2.gz STKMCTAFIGWOSB-HNNXBMFYSA-N 1 2 385.428 -0.470 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000738022013 599344934 /nfs/dbraw/zinc/34/49/34/599344934.db2.gz STKMCTAFIGWOSB-OAHLLOKOSA-N 1 2 385.428 -0.470 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738023997 599344662 /nfs/dbraw/zinc/34/46/62/599344662.db2.gz ZYVMRHMFOAWQRO-HNNXBMFYSA-N 1 2 385.428 -0.470 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738023998 599344961 /nfs/dbraw/zinc/34/49/61/599344961.db2.gz ZYVMRHMFOAWQRO-OAHLLOKOSA-N 1 2 385.428 -0.470 20 0 GBADLO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000738037031 599300198 /nfs/dbraw/zinc/30/01/98/599300198.db2.gz CPMYCZNOPDDHAC-HNNXBMFYSA-N 1 2 385.428 -0.470 20 0 GBADLO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000738037034 599300380 /nfs/dbraw/zinc/30/03/80/599300380.db2.gz CPMYCZNOPDDHAC-OAHLLOKOSA-N 1 2 385.428 -0.470 20 0 GBADLO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000738073774 599296872 /nfs/dbraw/zinc/29/68/72/599296872.db2.gz AKZDRBUCQPGJBB-AWEZNQCLSA-N 1 2 387.448 -0.210 20 0 GBADLO O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000738073775 599297141 /nfs/dbraw/zinc/29/71/41/599297141.db2.gz AKZDRBUCQPGJBB-CQSZACIVSA-N 1 2 387.448 -0.210 20 0 GBADLO O=C(NCCNc1ncccc1-c1nn[nH]n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000738077922 599296997 /nfs/dbraw/zinc/29/69/97/599296997.db2.gz JLDLCNJHCHZYSA-CYBMUJFWSA-N 1 2 387.448 -0.210 20 0 GBADLO O=C(NCCNc1ncccc1-c1nn[nH]n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000738077924 599296781 /nfs/dbraw/zinc/29/67/81/599296781.db2.gz JLDLCNJHCHZYSA-ZDUSSCGKSA-N 1 2 387.448 -0.210 20 0 GBADLO O=C(NCCn1cncn1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738094168 598362648 /nfs/dbraw/zinc/36/26/48/598362648.db2.gz CONOEPUYOABAQM-UHFFFAOYSA-N 1 2 382.432 -0.014 20 0 GBADLO O=C1C[C@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738299963 599303762 /nfs/dbraw/zinc/30/37/62/599303762.db2.gz CNMYGVIEGSCSSR-CVEARBPZSA-N 1 2 397.439 -0.095 20 0 GBADLO O=C1C[C@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738299963 599303760 /nfs/dbraw/zinc/30/37/60/599303760.db2.gz CNMYGVIEGSCSSR-CVEARBPZSA-N 1 2 397.439 -0.095 20 0 GBADLO O=C1C[C@H]([N@H+]2CC[C@H](N3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738299968 599303577 /nfs/dbraw/zinc/30/35/77/599303577.db2.gz CNMYGVIEGSCSSR-HOTGVXAUSA-N 1 2 397.439 -0.095 20 0 GBADLO O=C1C[C@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738299968 599303575 /nfs/dbraw/zinc/30/35/75/599303575.db2.gz CNMYGVIEGSCSSR-HOTGVXAUSA-N 1 2 397.439 -0.095 20 0 GBADLO O=C1C[C@@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738299971 599303514 /nfs/dbraw/zinc/30/35/14/599303514.db2.gz CNMYGVIEGSCSSR-HZPDHXFCSA-N 1 2 397.439 -0.095 20 0 GBADLO O=C1C[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738299971 599303512 /nfs/dbraw/zinc/30/35/12/599303512.db2.gz CNMYGVIEGSCSSR-HZPDHXFCSA-N 1 2 397.439 -0.095 20 0 GBADLO O=C1C[C@@H]([N@H+]2CC[C@H](N3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738299976 599303618 /nfs/dbraw/zinc/30/36/18/599303618.db2.gz CNMYGVIEGSCSSR-JKSUJKDBSA-N 1 2 397.439 -0.095 20 0 GBADLO O=C1C[C@@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000738299976 599303616 /nfs/dbraw/zinc/30/36/16/599303616.db2.gz CNMYGVIEGSCSSR-JKSUJKDBSA-N 1 2 397.439 -0.095 20 0 GBADLO O=C1CCCN1C[C@@H](O)C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738301897 598728449 /nfs/dbraw/zinc/72/84/49/598728449.db2.gz FHZQRAWKVISKSJ-KRWDZBQOSA-N 1 2 385.472 -0.032 20 0 GBADLO O=C1CCCN1C[C@@H](O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738301897 598728447 /nfs/dbraw/zinc/72/84/47/598728447.db2.gz FHZQRAWKVISKSJ-KRWDZBQOSA-N 1 2 385.472 -0.032 20 0 GBADLO O=C1CCCN1C[C@H](O)C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738301898 598728373 /nfs/dbraw/zinc/72/83/73/598728373.db2.gz FHZQRAWKVISKSJ-QGZVFWFLSA-N 1 2 385.472 -0.032 20 0 GBADLO O=C1CCCN1C[C@H](O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738301898 598728372 /nfs/dbraw/zinc/72/83/72/598728372.db2.gz FHZQRAWKVISKSJ-QGZVFWFLSA-N 1 2 385.472 -0.032 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738303353 598718137 /nfs/dbraw/zinc/71/81/37/598718137.db2.gz QEERIJMTTMOIOR-UHFFFAOYSA-N 1 2 384.400 -0.937 20 0 GBADLO O=C(C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)N1CCNC(=O)C1 ZINC000738303456 598249483 /nfs/dbraw/zinc/24/94/83/598249483.db2.gz RILKEZKOXKWHPN-UHFFFAOYSA-N 1 2 385.428 -0.332 20 0 GBADLO O=C(C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCNC(=O)C1 ZINC000738303953 598767242 /nfs/dbraw/zinc/76/72/42/598767242.db2.gz SOOPFCZXMKYRMM-UHFFFAOYSA-N 1 2 385.428 -0.332 20 0 GBADLO O=C1CN(C[N@H+]2CCNC(=O)CC2)C(=O)N1Cc1ccccc1-c1nn[nH]n1 ZINC000738304543 598335973 /nfs/dbraw/zinc/33/59/73/598335973.db2.gz OHOSFDPJBWKBMN-UHFFFAOYSA-N 1 2 384.400 -0.590 20 0 GBADLO O=C1CN(C[N@@H+]2CCNC(=O)CC2)C(=O)N1Cc1ccccc1-c1nn[nH]n1 ZINC000738304543 598335971 /nfs/dbraw/zinc/33/59/71/598335971.db2.gz OHOSFDPJBWKBMN-UHFFFAOYSA-N 1 2 384.400 -0.590 20 0 GBADLO O=C1CN(C[N@H+]2CCNC(=O)CC2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738304879 598335623 /nfs/dbraw/zinc/33/56/23/598335623.db2.gz PCTOBOCFTGKJGQ-UHFFFAOYSA-N 1 2 384.400 -0.590 20 0 GBADLO O=C1CN(C[N@@H+]2CCNC(=O)CC2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738304879 598335620 /nfs/dbraw/zinc/33/56/20/598335620.db2.gz PCTOBOCFTGKJGQ-UHFFFAOYSA-N 1 2 384.400 -0.590 20 0 GBADLO O=C(CN1CCC(=O)NC1=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738305550 598718418 /nfs/dbraw/zinc/71/84/18/598718418.db2.gz ULMIXYDXZNTJIT-UHFFFAOYSA-N 1 2 398.427 -0.547 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000738355274 599450263 /nfs/dbraw/zinc/45/02/63/599450263.db2.gz MZIIYTAWWSYVLK-UHFFFAOYSA-N 1 2 393.473 -0.005 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000738355751 598266422 /nfs/dbraw/zinc/26/64/22/598266422.db2.gz RJMFABGZOVZTGZ-UHFFFAOYSA-N 1 2 393.473 -0.005 20 0 GBADLO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000738356506 599173446 /nfs/dbraw/zinc/17/34/46/599173446.db2.gz DPIGNCBUWQUNCF-CABCVRRESA-N 1 2 396.448 -0.407 20 0 GBADLO O=S1(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H](N2CCOCC2)C1 ZINC000738356507 599173567 /nfs/dbraw/zinc/17/35/67/599173567.db2.gz DPIGNCBUWQUNCF-GJZGRUSLSA-N 1 2 396.448 -0.407 20 0 GBADLO O=S1(=O)C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H](N2CCOCC2)C1 ZINC000738356508 599173837 /nfs/dbraw/zinc/17/38/37/599173837.db2.gz DPIGNCBUWQUNCF-HUUCEWRRSA-N 1 2 396.448 -0.407 20 0 GBADLO O=S1(=O)C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H](N2CCOCC2)C1 ZINC000738356509 599174166 /nfs/dbraw/zinc/17/41/66/599174166.db2.gz DPIGNCBUWQUNCF-LSDHHAIUSA-N 1 2 396.448 -0.407 20 0 GBADLO O=c1cc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)[nH]c2ccnn21 ZINC000738378921 598539668 /nfs/dbraw/zinc/53/96/68/598539668.db2.gz BNAZDAGHNSCUQY-UHFFFAOYSA-N 1 2 378.400 -0.080 20 0 GBADLO O=c1cc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)[nH]c2ccnn21 ZINC000738380036 598538806 /nfs/dbraw/zinc/53/88/06/598538806.db2.gz MPQZZKNOBXYEFW-UHFFFAOYSA-N 1 2 378.400 -0.080 20 0 GBADLO O=c1cc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)[nH]c2ccnn21 ZINC000738381116 598813473 /nfs/dbraw/zinc/81/34/73/598813473.db2.gz UVQJABCJCKLUQD-UHFFFAOYSA-N 1 2 378.400 -0.080 20 0 GBADLO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000738388286 598354171 /nfs/dbraw/zinc/35/41/71/598354171.db2.gz RWERWVZULMNQFM-GDBMZVCRSA-N 1 2 386.416 -0.401 20 0 GBADLO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000738388286 598354169 /nfs/dbraw/zinc/35/41/69/598354169.db2.gz RWERWVZULMNQFM-GDBMZVCRSA-N 1 2 386.416 -0.401 20 0 GBADLO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000738388287 598354028 /nfs/dbraw/zinc/35/40/28/598354028.db2.gz RWERWVZULMNQFM-GOEBONIOSA-N 1 2 386.416 -0.401 20 0 GBADLO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000738388287 598354027 /nfs/dbraw/zinc/35/40/27/598354027.db2.gz RWERWVZULMNQFM-GOEBONIOSA-N 1 2 386.416 -0.401 20 0 GBADLO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000738388288 598353834 /nfs/dbraw/zinc/35/38/34/598353834.db2.gz RWERWVZULMNQFM-HOCLYGCPSA-N 1 2 386.416 -0.401 20 0 GBADLO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000738388288 598353832 /nfs/dbraw/zinc/35/38/32/598353832.db2.gz RWERWVZULMNQFM-HOCLYGCPSA-N 1 2 386.416 -0.401 20 0 GBADLO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000738388289 598354148 /nfs/dbraw/zinc/35/41/48/598354148.db2.gz RWERWVZULMNQFM-ZBFHGGJFSA-N 1 2 386.416 -0.401 20 0 GBADLO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000738388289 598354146 /nfs/dbraw/zinc/35/41/46/598354146.db2.gz RWERWVZULMNQFM-ZBFHGGJFSA-N 1 2 386.416 -0.401 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000738413150 637614557 /nfs/dbraw/zinc/61/45/57/637614557.db2.gz NYMWNPNJEPPKLR-AWEZNQCLSA-N 1 2 378.495 -0.437 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000738413151 637614364 /nfs/dbraw/zinc/61/43/64/637614364.db2.gz NYMWNPNJEPPKLR-CQSZACIVSA-N 1 2 378.495 -0.437 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000739062640 600133378 /nfs/dbraw/zinc/13/33/78/600133378.db2.gz LBLQFJUSLYKXKU-CYBMUJFWSA-N 1 2 387.444 -0.192 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000739062640 600133376 /nfs/dbraw/zinc/13/33/76/600133376.db2.gz LBLQFJUSLYKXKU-CYBMUJFWSA-N 1 2 387.444 -0.192 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000739062641 601033123 /nfs/dbraw/zinc/03/31/23/601033123.db2.gz LBLQFJUSLYKXKU-ZDUSSCGKSA-N 1 2 387.444 -0.192 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000739062641 601033120 /nfs/dbraw/zinc/03/31/20/601033120.db2.gz LBLQFJUSLYKXKU-ZDUSSCGKSA-N 1 2 387.444 -0.192 20 0 GBADLO CCN(CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C(=O)[O-] ZINC000739383130 603431767 /nfs/dbraw/zinc/43/17/67/603431767.db2.gz PHJRVNDVFIEXDZ-UHFFFAOYSA-N 1 2 383.493 -0.317 20 0 GBADLO CC[C@H](NC(=O)[O-])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000739520197 602676460 /nfs/dbraw/zinc/67/64/60/602676460.db2.gz GOXAFQUCXGWSCA-HNNXBMFYSA-N 1 2 383.493 -0.271 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)CCCNC(=O)[O-])CC1 ZINC000739677307 603251564 /nfs/dbraw/zinc/25/15/64/603251564.db2.gz VREBIIMKEPTISU-UHFFFAOYSA-N 1 2 390.448 -0.399 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)CCCNC(=O)[O-])CC1 ZINC000739677307 603251560 /nfs/dbraw/zinc/25/15/60/603251560.db2.gz VREBIIMKEPTISU-UHFFFAOYSA-N 1 2 390.448 -0.399 20 0 GBADLO C[NH+]1CCC([NH+]2CCC(NC(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)CC1 ZINC000739730734 603021020 /nfs/dbraw/zinc/02/10/20/603021020.db2.gz ZMELZQSMYXAMLL-UHFFFAOYSA-N 1 2 381.477 -0.517 20 0 GBADLO CN(C(=O)CSCC(=O)[O-])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000739731883 597101711 /nfs/dbraw/zinc/10/17/11/597101711.db2.gz QTHXMGRHNOFEJV-UHFFFAOYSA-N 1 2 386.518 -0.499 20 0 GBADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739733776 602622208 /nfs/dbraw/zinc/62/22/08/602622208.db2.gz VXRUGWXZCGYOSQ-UHFFFAOYSA-N 1 2 398.508 -0.524 20 0 GBADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739733776 602622206 /nfs/dbraw/zinc/62/22/06/602622206.db2.gz VXRUGWXZCGYOSQ-UHFFFAOYSA-N 1 2 398.508 -0.524 20 0 GBADLO CN(C(=O)CN1CCN(C(=O)[O-])CC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000739733809 603028708 /nfs/dbraw/zinc/02/87/08/603028708.db2.gz WHTNWRRVPDMBGV-HNNXBMFYSA-N 1 2 381.477 -0.565 20 0 GBADLO CN(C(=O)CN1CCN(C(=O)[O-])CC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000739733809 603028704 /nfs/dbraw/zinc/02/87/04/603028704.db2.gz WHTNWRRVPDMBGV-HNNXBMFYSA-N 1 2 381.477 -0.565 20 0 GBADLO CN(C(=O)CN1CCN(C(=O)[O-])CC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000739733812 603028583 /nfs/dbraw/zinc/02/85/83/603028583.db2.gz WHTNWRRVPDMBGV-OAHLLOKOSA-N 1 2 381.477 -0.565 20 0 GBADLO CN(C(=O)CN1CCN(C(=O)[O-])CC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000739733812 603028579 /nfs/dbraw/zinc/02/85/79/603028579.db2.gz WHTNWRRVPDMBGV-OAHLLOKOSA-N 1 2 381.477 -0.565 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N(C)C2CCOCC2)CC1 ZINC000739942179 637618255 /nfs/dbraw/zinc/61/82/55/637618255.db2.gz ZNTGGFNHDGGAFW-UHFFFAOYSA-N 1 2 376.523 -0.078 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC000740296407 596920514 /nfs/dbraw/zinc/92/05/14/596920514.db2.gz HZTGBYUGHMNCTG-UHFFFAOYSA-N 1 2 387.444 -0.192 20 0 GBADLO O=C([O-])N1CC[NH+](CCCNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000740526746 602332650 /nfs/dbraw/zinc/33/26/50/602332650.db2.gz KGUHIJCJDZASCE-CVEARBPZSA-N 1 2 383.493 -0.087 20 0 GBADLO O=C([O-])N1CC[NH+](CCCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000740526747 602332394 /nfs/dbraw/zinc/33/23/94/602332394.db2.gz KGUHIJCJDZASCE-HOTGVXAUSA-N 1 2 383.493 -0.087 20 0 GBADLO O=C([O-])N1CC[NH+](CCCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000740526748 602332618 /nfs/dbraw/zinc/33/26/18/602332618.db2.gz KGUHIJCJDZASCE-HZPDHXFCSA-N 1 2 383.493 -0.087 20 0 GBADLO O=C([O-])N1CC[NH+](CCCNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000740526749 602332352 /nfs/dbraw/zinc/33/23/52/602332352.db2.gz KGUHIJCJDZASCE-JKSUJKDBSA-N 1 2 383.493 -0.087 20 0 GBADLO CCCCOC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000741787964 637626477 /nfs/dbraw/zinc/62/64/77/637626477.db2.gz MPCCKALRQNSGIB-HNNXBMFYSA-N 1 2 376.523 -0.172 20 0 GBADLO CCCCOC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000741787966 637626525 /nfs/dbraw/zinc/62/65/25/637626525.db2.gz MPCCKALRQNSGIB-OAHLLOKOSA-N 1 2 376.523 -0.172 20 0 GBADLO COC(=O)[C@H]1CCN(CCS(=O)(=O)CC[N@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000742588343 637631743 /nfs/dbraw/zinc/63/17/43/637631743.db2.gz GUETZUJCWZMXBW-KBPBESRZSA-N 1 2 376.475 -0.609 20 0 GBADLO COC(=O)[C@H]1CCN(CCS(=O)(=O)CC[N@@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000742588343 637631740 /nfs/dbraw/zinc/63/17/40/637631740.db2.gz GUETZUJCWZMXBW-KBPBESRZSA-N 1 2 376.475 -0.609 20 0 GBADLO COC(=O)[C@@H]1CCN(CCS(=O)(=O)CC[N@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000742588345 637631619 /nfs/dbraw/zinc/63/16/19/637631619.db2.gz GUETZUJCWZMXBW-ZIAGYGMSSA-N 1 2 376.475 -0.609 20 0 GBADLO COC(=O)[C@@H]1CCN(CCS(=O)(=O)CC[N@@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000742588345 637631609 /nfs/dbraw/zinc/63/16/09/637631609.db2.gz GUETZUJCWZMXBW-ZIAGYGMSSA-N 1 2 376.475 -0.609 20 0 GBADLO CSC(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000743709097 637634215 /nfs/dbraw/zinc/63/42/15/637634215.db2.gz ADJROPVYAZHYAE-UHFFFAOYSA-N 1 2 393.579 -0.053 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000743848435 637635001 /nfs/dbraw/zinc/63/50/01/637635001.db2.gz PLXUZCKVGXEYEU-LLVKDONJSA-N 1 2 383.396 -0.207 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000743848435 637634991 /nfs/dbraw/zinc/63/49/91/637634991.db2.gz PLXUZCKVGXEYEU-LLVKDONJSA-N 1 2 383.396 -0.207 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000743848436 637635145 /nfs/dbraw/zinc/63/51/45/637635145.db2.gz PLXUZCKVGXEYEU-NSHDSACASA-N 1 2 383.396 -0.207 20 0 GBADLO Cn1cc(S(=O)(=O)NCC[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000743848436 637635138 /nfs/dbraw/zinc/63/51/38/637635138.db2.gz PLXUZCKVGXEYEU-NSHDSACASA-N 1 2 383.396 -0.207 20 0 GBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cn1 ZINC000746321958 637644406 /nfs/dbraw/zinc/64/44/06/637644406.db2.gz BDVSRPHDJGPXMD-UHFFFAOYSA-N 1 2 379.433 -0.114 20 0 GBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CCC([N@H+](C)CC(F)F)CC2)cn1 ZINC000746321958 637644396 /nfs/dbraw/zinc/64/43/96/637644396.db2.gz BDVSRPHDJGPXMD-UHFFFAOYSA-N 1 2 379.433 -0.114 20 0 GBADLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCCS(=O)(=O)N1CCOCC1 ZINC000748095294 1072260686 /nfs/dbraw/zinc/26/06/86/1072260686.db2.gz UAFTYQIKTDGGHF-UHFFFAOYSA-N 1 2 385.490 -0.277 20 0 GBADLO CC(C)[C@H](C(=O)NCCS(=O)(=O)N1CCOCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000748097552 1072261762 /nfs/dbraw/zinc/26/17/62/1072261762.db2.gz HXQIAQXYCOGHIY-BZUAXINKSA-N 1 2 391.534 -0.102 20 0 GBADLO CC(C)[C@H](C(=O)NCCS(=O)(=O)N1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000748097553 1072261942 /nfs/dbraw/zinc/26/19/42/1072261942.db2.gz HXQIAQXYCOGHIY-OWCLPIDISA-N 1 2 391.534 -0.102 20 0 GBADLO CC(C)[C@H](C(=O)NCCS(=O)(=O)N1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000748097553 1072261934 /nfs/dbraw/zinc/26/19/34/1072261934.db2.gz HXQIAQXYCOGHIY-OWCLPIDISA-N 1 2 391.534 -0.102 20 0 GBADLO CCN(C(=O)[C@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000748456588 637655088 /nfs/dbraw/zinc/65/50/88/637655088.db2.gz JDVLRMWCWVKWEI-IHRRRGAJSA-N 1 2 376.475 -0.326 20 0 GBADLO CCN(C(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000748456588 637655083 /nfs/dbraw/zinc/65/50/83/637655083.db2.gz JDVLRMWCWVKWEI-IHRRRGAJSA-N 1 2 376.475 -0.326 20 0 GBADLO CCN(C(=O)[C@@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000748456592 637655137 /nfs/dbraw/zinc/65/51/37/637655137.db2.gz JDVLRMWCWVKWEI-MCIONIFRSA-N 1 2 376.475 -0.326 20 0 GBADLO CCN(C(=O)[C@@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000748456592 637655133 /nfs/dbraw/zinc/65/51/33/637655133.db2.gz JDVLRMWCWVKWEI-MCIONIFRSA-N 1 2 376.475 -0.326 20 0 GBADLO CCN(C(=O)[C@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000748456594 637655038 /nfs/dbraw/zinc/65/50/38/637655038.db2.gz JDVLRMWCWVKWEI-MJBXVCDLSA-N 1 2 376.475 -0.326 20 0 GBADLO CCN(C(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000748456594 637655033 /nfs/dbraw/zinc/65/50/33/637655033.db2.gz JDVLRMWCWVKWEI-MJBXVCDLSA-N 1 2 376.475 -0.326 20 0 GBADLO CCN(C(=O)[C@@H](C)OC(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000748456596 637655112 /nfs/dbraw/zinc/65/51/12/637655112.db2.gz JDVLRMWCWVKWEI-RDBSUJKOSA-N 1 2 376.475 -0.326 20 0 GBADLO CCN(C(=O)[C@@H](C)OC(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000748456596 637655106 /nfs/dbraw/zinc/65/51/06/637655106.db2.gz JDVLRMWCWVKWEI-RDBSUJKOSA-N 1 2 376.475 -0.326 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000749307780 637659102 /nfs/dbraw/zinc/65/91/02/637659102.db2.gz VTFCCBKKHSEKSO-CYBMUJFWSA-N 1 2 376.479 -0.524 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000749307780 637659093 /nfs/dbraw/zinc/65/90/93/637659093.db2.gz VTFCCBKKHSEKSO-CYBMUJFWSA-N 1 2 376.479 -0.524 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000749307782 637659245 /nfs/dbraw/zinc/65/92/45/637659245.db2.gz VTFCCBKKHSEKSO-ZDUSSCGKSA-N 1 2 376.479 -0.524 20 0 GBADLO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000749307782 637659240 /nfs/dbraw/zinc/65/92/40/637659240.db2.gz VTFCCBKKHSEKSO-ZDUSSCGKSA-N 1 2 376.479 -0.524 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000749851392 637662276 /nfs/dbraw/zinc/66/22/76/637662276.db2.gz WEACSMFPDQXJIY-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000749851392 637662265 /nfs/dbraw/zinc/66/22/65/637662265.db2.gz WEACSMFPDQXJIY-AWEZNQCLSA-N 1 2 375.491 -0.198 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000749851394 637662574 /nfs/dbraw/zinc/66/25/74/637662574.db2.gz WEACSMFPDQXJIY-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000749851394 637662567 /nfs/dbraw/zinc/66/25/67/637662567.db2.gz WEACSMFPDQXJIY-CQSZACIVSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)CC1 ZINC000749853333 637662344 /nfs/dbraw/zinc/66/23/44/637662344.db2.gz XCPRYRUBUVSFLK-CYBMUJFWSA-N 1 2 376.479 -0.699 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)CC1 ZINC000749853333 637662339 /nfs/dbraw/zinc/66/23/39/637662339.db2.gz XCPRYRUBUVSFLK-CYBMUJFWSA-N 1 2 376.479 -0.699 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)CC1 ZINC000749853334 637662307 /nfs/dbraw/zinc/66/23/07/637662307.db2.gz XCPRYRUBUVSFLK-ZDUSSCGKSA-N 1 2 376.479 -0.699 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)CC1 ZINC000749853334 637662299 /nfs/dbraw/zinc/66/22/99/637662299.db2.gz XCPRYRUBUVSFLK-ZDUSSCGKSA-N 1 2 376.479 -0.699 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000750218245 637663838 /nfs/dbraw/zinc/66/38/38/637663838.db2.gz SOKOVBZVRYGVHH-CHWSQXEVSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000750218245 637663825 /nfs/dbraw/zinc/66/38/25/637663825.db2.gz SOKOVBZVRYGVHH-CHWSQXEVSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000750218256 637664770 /nfs/dbraw/zinc/66/47/70/637664770.db2.gz SOKOVBZVRYGVHH-OLZOCXBDSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000750218256 637664764 /nfs/dbraw/zinc/66/47/64/637664764.db2.gz SOKOVBZVRYGVHH-OLZOCXBDSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000750218259 637664924 /nfs/dbraw/zinc/66/49/24/637664924.db2.gz SOKOVBZVRYGVHH-QWHCGFSZSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000750218259 637664921 /nfs/dbraw/zinc/66/49/21/637664921.db2.gz SOKOVBZVRYGVHH-QWHCGFSZSA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000750218262 637664880 /nfs/dbraw/zinc/66/48/80/637664880.db2.gz SOKOVBZVRYGVHH-STQMWFEESA-N 1 2 376.479 -0.701 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000750218262 637664875 /nfs/dbraw/zinc/66/48/75/637664875.db2.gz SOKOVBZVRYGVHH-STQMWFEESA-N 1 2 376.479 -0.701 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCO1 ZINC000750639868 637665916 /nfs/dbraw/zinc/66/59/16/637665916.db2.gz WFOJMDBFCPCRSL-GFCCVEGCSA-N 1 2 375.451 -0.886 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCO1 ZINC000750639868 637665914 /nfs/dbraw/zinc/66/59/14/637665914.db2.gz WFOJMDBFCPCRSL-GFCCVEGCSA-N 1 2 375.451 -0.886 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCO1 ZINC000750639869 637666161 /nfs/dbraw/zinc/66/61/61/637666161.db2.gz WFOJMDBFCPCRSL-LBPRGKRZSA-N 1 2 375.451 -0.886 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCO1 ZINC000750639869 637666155 /nfs/dbraw/zinc/66/61/55/637666155.db2.gz WFOJMDBFCPCRSL-LBPRGKRZSA-N 1 2 375.451 -0.886 20 0 GBADLO CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000750664394 637666176 /nfs/dbraw/zinc/66/61/76/637666176.db2.gz AIDIZTJGYALAOR-HNNXBMFYSA-N 1 2 375.539 -0.647 20 0 GBADLO CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000750664404 637666074 /nfs/dbraw/zinc/66/60/74/637666074.db2.gz AIDIZTJGYALAOR-OAHLLOKOSA-N 1 2 375.539 -0.647 20 0 GBADLO CCOCCNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000750993211 637668249 /nfs/dbraw/zinc/66/82/49/637668249.db2.gz YHUZFBCYGIVPKJ-UHFFFAOYSA-N 1 2 379.552 -0.993 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)C3CC3)CC2)cc1 ZINC000751419148 637671595 /nfs/dbraw/zinc/67/15/95/637671595.db2.gz RPFUXSPVNYBKEX-HNNXBMFYSA-N 1 2 389.499 -0.589 20 0 GBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)C3CC3)CC2)cc1 ZINC000751419150 637671368 /nfs/dbraw/zinc/67/13/68/637671368.db2.gz RPFUXSPVNYBKEX-OAHLLOKOSA-N 1 2 389.499 -0.589 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000751430941 637671413 /nfs/dbraw/zinc/67/14/13/637671413.db2.gz MUDBONZNASJUNO-GFCCVEGCSA-N 1 2 375.422 -0.762 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000751430945 637671572 /nfs/dbraw/zinc/67/15/72/637671572.db2.gz MUDBONZNASJUNO-LBPRGKRZSA-N 1 2 375.422 -0.762 20 0 GBADLO CSCCNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000752739504 637678868 /nfs/dbraw/zinc/67/88/68/637678868.db2.gz SKONOWWRMWKIND-UHFFFAOYSA-N 1 2 381.593 -0.666 20 0 GBADLO CCN(CCS(C)(=O)=O)C(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000753094481 637680455 /nfs/dbraw/zinc/68/04/55/637680455.db2.gz HRDZZGDQTFWDPK-HNNXBMFYSA-N 1 2 376.523 -0.531 20 0 GBADLO CCN(CCS(C)(=O)=O)C(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000753094488 637680393 /nfs/dbraw/zinc/68/03/93/637680393.db2.gz HRDZZGDQTFWDPK-OAHLLOKOSA-N 1 2 376.523 -0.531 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000753783992 637685453 /nfs/dbraw/zinc/68/54/53/637685453.db2.gz BIMUDKYMGJRAHY-CABCVRRESA-N 1 2 377.507 -0.394 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000753783992 637685448 /nfs/dbraw/zinc/68/54/48/637685448.db2.gz BIMUDKYMGJRAHY-CABCVRRESA-N 1 2 377.507 -0.394 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000753783997 637685067 /nfs/dbraw/zinc/68/50/67/637685067.db2.gz BIMUDKYMGJRAHY-GJZGRUSLSA-N 1 2 377.507 -0.394 20 0 GBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000753783997 637685061 /nfs/dbraw/zinc/68/50/61/637685061.db2.gz BIMUDKYMGJRAHY-GJZGRUSLSA-N 1 2 377.507 -0.394 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000753783998 637685416 /nfs/dbraw/zinc/68/54/16/637685416.db2.gz BIMUDKYMGJRAHY-HUUCEWRRSA-N 1 2 377.507 -0.394 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000753783998 637685411 /nfs/dbraw/zinc/68/54/11/637685411.db2.gz BIMUDKYMGJRAHY-HUUCEWRRSA-N 1 2 377.507 -0.394 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000753784000 637685205 /nfs/dbraw/zinc/68/52/05/637685205.db2.gz BIMUDKYMGJRAHY-LSDHHAIUSA-N 1 2 377.507 -0.394 20 0 GBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000753784000 637685200 /nfs/dbraw/zinc/68/52/00/637685200.db2.gz BIMUDKYMGJRAHY-LSDHHAIUSA-N 1 2 377.507 -0.394 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000754106517 637687851 /nfs/dbraw/zinc/68/78/51/637687851.db2.gz ZCHABWDYBXEPFC-CHWSQXEVSA-N 1 2 376.479 -0.572 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000754106517 637687847 /nfs/dbraw/zinc/68/78/47/637687847.db2.gz ZCHABWDYBXEPFC-CHWSQXEVSA-N 1 2 376.479 -0.572 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000754106520 637687983 /nfs/dbraw/zinc/68/79/83/637687983.db2.gz ZCHABWDYBXEPFC-OLZOCXBDSA-N 1 2 376.479 -0.572 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000754106520 637687979 /nfs/dbraw/zinc/68/79/79/637687979.db2.gz ZCHABWDYBXEPFC-OLZOCXBDSA-N 1 2 376.479 -0.572 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000754106522 637687895 /nfs/dbraw/zinc/68/78/95/637687895.db2.gz ZCHABWDYBXEPFC-QWHCGFSZSA-N 1 2 376.479 -0.572 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000754106522 637687892 /nfs/dbraw/zinc/68/78/92/637687892.db2.gz ZCHABWDYBXEPFC-QWHCGFSZSA-N 1 2 376.479 -0.572 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000754106525 637687862 /nfs/dbraw/zinc/68/78/62/637687862.db2.gz ZCHABWDYBXEPFC-STQMWFEESA-N 1 2 376.479 -0.572 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000754106525 637687859 /nfs/dbraw/zinc/68/78/59/637687859.db2.gz ZCHABWDYBXEPFC-STQMWFEESA-N 1 2 376.479 -0.572 20 0 GBADLO COc1c(C)c[nH+]c(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1C ZINC000754320250 637690306 /nfs/dbraw/zinc/69/03/06/637690306.db2.gz IWWAFHQJOSEZTL-UHFFFAOYSA-N 1 2 392.503 -0.381 20 0 GBADLO COCCS(=O)(=O)CC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000754545223 637692289 /nfs/dbraw/zinc/69/22/89/637692289.db2.gz KWDTXUMDNCJHMR-UHFFFAOYSA-N 1 2 375.535 -0.076 20 0 GBADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000755737477 637697595 /nfs/dbraw/zinc/69/75/95/637697595.db2.gz ZXCDUNIDWICOLC-HNNXBMFYSA-N 1 2 379.523 -0.253 20 0 GBADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000755737478 637697847 /nfs/dbraw/zinc/69/78/47/637697847.db2.gz ZXCDUNIDWICOLC-OAHLLOKOSA-N 1 2 379.523 -0.253 20 0 GBADLO COC(=O)/C=C1/SCC(=O)N1CCCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000755955934 637698704 /nfs/dbraw/zinc/69/87/04/637698704.db2.gz KBFHHHLWACYBBN-FHWWYNCCSA-N 1 2 389.543 -0.038 20 0 GBADLO COC(=O)/C=C1\SCC(=O)N1CCCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755955954 637698622 /nfs/dbraw/zinc/69/86/22/637698622.db2.gz KBFHHHLWACYBBN-LGQLLILUSA-N 1 2 389.543 -0.038 20 0 GBADLO COC(=O)/C=C1/SCC(=O)N1CCCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755955959 637698541 /nfs/dbraw/zinc/69/85/41/637698541.db2.gz KBFHHHLWACYBBN-VXIGYJSRSA-N 1 2 389.543 -0.038 20 0 GBADLO COC(=O)/C=C1\SCC(=O)N1CCCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000755955963 637698880 /nfs/dbraw/zinc/69/88/80/637698880.db2.gz KBFHHHLWACYBBN-WCKUGHEZSA-N 1 2 389.543 -0.038 20 0 GBADLO CN(CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)S(C)(=O)=O ZINC000756027604 637699345 /nfs/dbraw/zinc/69/93/45/637699345.db2.gz JNAMMOWYKQWFOP-GFCCVEGCSA-N 1 2 378.495 -0.455 20 0 GBADLO CN(CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)S(C)(=O)=O ZINC000756027604 637699336 /nfs/dbraw/zinc/69/93/36/637699336.db2.gz JNAMMOWYKQWFOP-GFCCVEGCSA-N 1 2 378.495 -0.455 20 0 GBADLO CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)S(C)(=O)=O ZINC000756027605 637699681 /nfs/dbraw/zinc/69/96/81/637699681.db2.gz JNAMMOWYKQWFOP-LBPRGKRZSA-N 1 2 378.495 -0.455 20 0 GBADLO CN(CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)S(C)(=O)=O ZINC000756027605 637699670 /nfs/dbraw/zinc/69/96/70/637699670.db2.gz JNAMMOWYKQWFOP-LBPRGKRZSA-N 1 2 378.495 -0.455 20 0 GBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000756097588 637699560 /nfs/dbraw/zinc/69/95/60/637699560.db2.gz CFZOHBGDTNQDLZ-UHFFFAOYSA-N 1 2 379.433 -0.114 20 0 GBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000756097588 637699551 /nfs/dbraw/zinc/69/95/51/637699551.db2.gz CFZOHBGDTNQDLZ-UHFFFAOYSA-N 1 2 379.433 -0.114 20 0 GBADLO CNC(=O)[C@H](CC(C)C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000756693619 637703690 /nfs/dbraw/zinc/70/36/90/637703690.db2.gz XEQQIVHIHIAWCS-AWEZNQCLSA-N 1 2 376.523 -0.045 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCO[C@H]2CCOC2)CC1 ZINC000756936468 637704312 /nfs/dbraw/zinc/70/43/12/637704312.db2.gz JFUOORNBNWRAIK-HNNXBMFYSA-N 1 2 377.507 -0.010 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCO[C@@H]2CCOC2)CC1 ZINC000756936469 637704433 /nfs/dbraw/zinc/70/44/33/637704433.db2.gz JFUOORNBNWRAIK-OAHLLOKOSA-N 1 2 377.507 -0.010 20 0 GBADLO C[NH+](C)CCCN(C(=O)CC1SC(=N)NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000758280243 637712821 /nfs/dbraw/zinc/71/28/21/637712821.db2.gz PSWSTMNFQNHGKK-GHMZBOCLSA-N 1 2 376.504 -0.490 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@H]1SC(=N)NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000758280243 637712817 /nfs/dbraw/zinc/71/28/17/637712817.db2.gz PSWSTMNFQNHGKK-GHMZBOCLSA-N 1 2 376.504 -0.490 20 0 GBADLO C[NH+](C)CCCN(C(=O)CC1SC(=N)NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000758280244 637712693 /nfs/dbraw/zinc/71/26/93/637712693.db2.gz PSWSTMNFQNHGKK-MNOVXSKESA-N 1 2 376.504 -0.490 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@@H]1SC(=N)NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000758280244 637712683 /nfs/dbraw/zinc/71/26/83/637712683.db2.gz PSWSTMNFQNHGKK-MNOVXSKESA-N 1 2 376.504 -0.490 20 0 GBADLO C[NH+](C)CCCN(C(=O)CC1SC(=N)NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000758280245 637713047 /nfs/dbraw/zinc/71/30/47/637713047.db2.gz PSWSTMNFQNHGKK-QWRGUYRKSA-N 1 2 376.504 -0.490 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@@H]1SC(=N)NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000758280245 637713043 /nfs/dbraw/zinc/71/30/43/637713043.db2.gz PSWSTMNFQNHGKK-QWRGUYRKSA-N 1 2 376.504 -0.490 20 0 GBADLO C[NH+](C)CCCN(C(=O)CC1SC(=N)NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000758280246 637712959 /nfs/dbraw/zinc/71/29/59/637712959.db2.gz PSWSTMNFQNHGKK-WDEREUQCSA-N 1 2 376.504 -0.490 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@H]1SC(=N)NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000758280246 637712953 /nfs/dbraw/zinc/71/29/53/637712953.db2.gz PSWSTMNFQNHGKK-WDEREUQCSA-N 1 2 376.504 -0.490 20 0 GBADLO Cc1cnc(=S)n(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000758300732 637712545 /nfs/dbraw/zinc/71/25/45/637712545.db2.gz OWPSPASFUNPJJI-UHFFFAOYSA-N 1 2 386.547 -0.012 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000758479596 637714919 /nfs/dbraw/zinc/71/49/19/637714919.db2.gz BIGNHCDDPBFDOA-GFCCVEGCSA-N 1 2 389.499 -0.127 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000758479600 637714837 /nfs/dbraw/zinc/71/48/37/637714837.db2.gz BIGNHCDDPBFDOA-LBPRGKRZSA-N 1 2 389.499 -0.127 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000758489378 637716124 /nfs/dbraw/zinc/71/61/24/637716124.db2.gz QXHZOUILRXVOID-GFCCVEGCSA-N 1 2 389.499 -0.127 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000758489379 637716233 /nfs/dbraw/zinc/71/62/33/637716233.db2.gz QXHZOUILRXVOID-LBPRGKRZSA-N 1 2 389.499 -0.127 20 0 GBADLO CCS(=O)(=O)CCN(C)C(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000758854309 637717581 /nfs/dbraw/zinc/71/75/81/637717581.db2.gz VQDOXVSXLOXCRL-HNNXBMFYSA-N 1 2 376.523 -0.531 20 0 GBADLO CCS(=O)(=O)CCN(C)C(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000758854315 637717380 /nfs/dbraw/zinc/71/73/80/637717380.db2.gz VQDOXVSXLOXCRL-OAHLLOKOSA-N 1 2 376.523 -0.531 20 0 GBADLO CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000759327562 637718928 /nfs/dbraw/zinc/71/89/28/637718928.db2.gz YOTKXRXUTRJMMA-GFCCVEGCSA-N 1 2 378.495 -0.407 20 0 GBADLO CCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000759327562 637718919 /nfs/dbraw/zinc/71/89/19/637718919.db2.gz YOTKXRXUTRJMMA-GFCCVEGCSA-N 1 2 378.495 -0.407 20 0 GBADLO CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000759327568 637718907 /nfs/dbraw/zinc/71/89/07/637718907.db2.gz YOTKXRXUTRJMMA-LBPRGKRZSA-N 1 2 378.495 -0.407 20 0 GBADLO CCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000759327568 637718899 /nfs/dbraw/zinc/71/88/99/637718899.db2.gz YOTKXRXUTRJMMA-LBPRGKRZSA-N 1 2 378.495 -0.407 20 0 GBADLO CC(C)[C@H](CNS(=O)(=O)N1CCC2(CC1)OCCO2)[NH+]1CCN(C)CC1 ZINC000759777670 1073322935 /nfs/dbraw/zinc/32/29/35/1073322935.db2.gz RBERTUSBEPALSN-INIZCTEOSA-N 1 2 390.550 -0.068 20 0 GBADLO CC(C)[C@@H](CNS(=O)(=O)N1CCC2(CC1)OCCO2)[NH+]1CCN(C)CC1 ZINC000759777671 1073323135 /nfs/dbraw/zinc/32/31/35/1073323135.db2.gz RBERTUSBEPALSN-MRXNPFEDSA-N 1 2 390.550 -0.068 20 0 GBADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000759804256 637721277 /nfs/dbraw/zinc/72/12/77/637721277.db2.gz RKFNQTVUZAWGPU-UHFFFAOYSA-N 1 2 382.477 -0.249 20 0 GBADLO C[N@H+](CC(F)F)C1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000759804256 637721268 /nfs/dbraw/zinc/72/12/68/637721268.db2.gz RKFNQTVUZAWGPU-UHFFFAOYSA-N 1 2 382.477 -0.249 20 0 GBADLO Cn1cnc2c1c(=O)n(CCCOC(=O)CCc1ccc(N)[nH+]c1)c(=O)n2C ZINC000759814783 1073332809 /nfs/dbraw/zinc/33/28/09/1073332809.db2.gz MQUMRFQAJBXANG-UHFFFAOYSA-N 1 2 386.412 -0.023 20 0 GBADLO COC(C[N@@H+](CCCO)CC(=O)N1CCN(C(=O)c2ccco2)CC1)OC ZINC000759869175 1073345162 /nfs/dbraw/zinc/34/51/62/1073345162.db2.gz LQHASMNXQGDZSD-UHFFFAOYSA-N 1 2 383.445 -0.133 20 0 GBADLO COC(C[N@H+](CCCO)CC(=O)N1CCN(C(=O)c2ccco2)CC1)OC ZINC000759869175 1073345156 /nfs/dbraw/zinc/34/51/56/1073345156.db2.gz LQHASMNXQGDZSD-UHFFFAOYSA-N 1 2 383.445 -0.133 20 0 GBADLO CC(C)C[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)NCC[NH+](C)C ZINC000759903440 1073349812 /nfs/dbraw/zinc/34/98/12/1073349812.db2.gz NMLOMTUTJZDHMD-ZDUSSCGKSA-N 1 2 377.449 -0.720 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CC2(CO)CC2)CC1 ZINC000759938837 1073561923 /nfs/dbraw/zinc/56/19/23/1073561923.db2.gz GLCSUUFFUDDEKV-UHFFFAOYSA-N 1 2 388.428 -0.282 20 0 GBADLO Cc1nc(N2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)cc[nH+]1 ZINC000760107824 1073479662 /nfs/dbraw/zinc/47/96/62/1073479662.db2.gz YUMWEFCOTYATPT-UHFFFAOYSA-N 1 2 398.489 -0.721 20 0 GBADLO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000760129332 1073693325 /nfs/dbraw/zinc/69/33/25/1073693325.db2.gz HLBOMOQPSFETCQ-INIZCTEOSA-N 1 2 392.456 -0.317 20 0 GBADLO NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000760129334 1073693232 /nfs/dbraw/zinc/69/32/32/1073693232.db2.gz HLBOMOQPSFETCQ-MRXNPFEDSA-N 1 2 392.456 -0.317 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000760204027 1073873252 /nfs/dbraw/zinc/87/32/52/1073873252.db2.gz MQUMTZDTFZZJOP-LBPRGKRZSA-N 1 2 379.398 -0.892 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000760204027 1073873237 /nfs/dbraw/zinc/87/32/37/1073873237.db2.gz MQUMTZDTFZZJOP-LBPRGKRZSA-N 1 2 379.398 -0.892 20 0 GBADLO CCCCS(=O)(=O)NCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000761129240 637726941 /nfs/dbraw/zinc/72/69/41/637726941.db2.gz FQDWPTOVLFVZJO-UHFFFAOYSA-N 1 2 383.536 -0.669 20 0 GBADLO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000761754295 637728175 /nfs/dbraw/zinc/72/81/75/637728175.db2.gz NYEZCWGABYYCBG-CABCVRRESA-N 1 2 392.543 -0.144 20 0 GBADLO O=C(CS[C@H]1CCS(=O)(=O)C1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000761754297 637728192 /nfs/dbraw/zinc/72/81/92/637728192.db2.gz NYEZCWGABYYCBG-GJZGRUSLSA-N 1 2 392.543 -0.144 20 0 GBADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000761754298 637729062 /nfs/dbraw/zinc/72/90/62/637729062.db2.gz NYEZCWGABYYCBG-HUUCEWRRSA-N 1 2 392.543 -0.144 20 0 GBADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000761754420 637729013 /nfs/dbraw/zinc/72/90/13/637729013.db2.gz NYEZCWGABYYCBG-LSDHHAIUSA-N 1 2 392.543 -0.144 20 0 GBADLO CNc1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000763276055 637732889 /nfs/dbraw/zinc/73/28/89/637732889.db2.gz HAGCMPFWGZHWFV-UHFFFAOYSA-N 1 2 388.519 -0.565 20 0 GBADLO COCCN(C)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763328444 637733034 /nfs/dbraw/zinc/73/30/34/637733034.db2.gz CKTQDUHRLRBQEO-CYBMUJFWSA-N 1 2 380.511 -0.050 20 0 GBADLO COCCN(C)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763328444 637733028 /nfs/dbraw/zinc/73/30/28/637733028.db2.gz CKTQDUHRLRBQEO-CYBMUJFWSA-N 1 2 380.511 -0.050 20 0 GBADLO COCCN(C)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763328446 637732629 /nfs/dbraw/zinc/73/26/29/637732629.db2.gz CKTQDUHRLRBQEO-ZDUSSCGKSA-N 1 2 380.511 -0.050 20 0 GBADLO COCCN(C)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763328446 637732621 /nfs/dbraw/zinc/73/26/21/637732621.db2.gz CKTQDUHRLRBQEO-ZDUSSCGKSA-N 1 2 380.511 -0.050 20 0 GBADLO C[N@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473378 637733954 /nfs/dbraw/zinc/73/39/54/637733954.db2.gz QPUDZSFJNYPQMH-GFCCVEGCSA-N 1 2 378.495 -0.407 20 0 GBADLO C[N@@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473378 637733940 /nfs/dbraw/zinc/73/39/40/637733940.db2.gz QPUDZSFJNYPQMH-GFCCVEGCSA-N 1 2 378.495 -0.407 20 0 GBADLO C[N@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473379 637734197 /nfs/dbraw/zinc/73/41/97/637734197.db2.gz QPUDZSFJNYPQMH-LBPRGKRZSA-N 1 2 378.495 -0.407 20 0 GBADLO C[N@@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763473379 637734191 /nfs/dbraw/zinc/73/41/91/637734191.db2.gz QPUDZSFJNYPQMH-LBPRGKRZSA-N 1 2 378.495 -0.407 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763473648 637733996 /nfs/dbraw/zinc/73/39/96/637733996.db2.gz OFFPHHSLWPUTEY-NEPJUHHUSA-N 1 2 378.495 -0.409 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763473648 637733987 /nfs/dbraw/zinc/73/39/87/637733987.db2.gz OFFPHHSLWPUTEY-NEPJUHHUSA-N 1 2 378.495 -0.409 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763473649 637734152 /nfs/dbraw/zinc/73/41/52/637734152.db2.gz OFFPHHSLWPUTEY-NWDGAFQWSA-N 1 2 378.495 -0.409 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763473649 637734149 /nfs/dbraw/zinc/73/41/49/637734149.db2.gz OFFPHHSLWPUTEY-NWDGAFQWSA-N 1 2 378.495 -0.409 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763473650 637734127 /nfs/dbraw/zinc/73/41/27/637734127.db2.gz OFFPHHSLWPUTEY-RYUDHWBXSA-N 1 2 378.495 -0.409 20 0 GBADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763473650 637734121 /nfs/dbraw/zinc/73/41/21/637734121.db2.gz OFFPHHSLWPUTEY-RYUDHWBXSA-N 1 2 378.495 -0.409 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763473651 637734038 /nfs/dbraw/zinc/73/40/38/637734038.db2.gz OFFPHHSLWPUTEY-VXGBXAGGSA-N 1 2 378.495 -0.409 20 0 GBADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763473651 637734035 /nfs/dbraw/zinc/73/40/35/637734035.db2.gz OFFPHHSLWPUTEY-VXGBXAGGSA-N 1 2 378.495 -0.409 20 0 GBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)OCCC[NH+]2CCOCC2)c1 ZINC000764031782 637736116 /nfs/dbraw/zinc/73/61/16/637736116.db2.gz HEMUJACFGVJXDK-UHFFFAOYSA-N 1 2 375.447 -0.182 20 0 GBADLO O=C(Nn1cc(Br)cn1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000765087758 637740437 /nfs/dbraw/zinc/74/04/37/637740437.db2.gz QDNBQJULOLHHLA-LLVKDONJSA-N 1 2 386.250 -0.104 20 0 GBADLO O=C(Nn1cc(Br)cn1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000765087760 637740409 /nfs/dbraw/zinc/74/04/09/637740409.db2.gz QDNBQJULOLHHLA-NSHDSACASA-N 1 2 386.250 -0.104 20 0 GBADLO Cn1c(Cl)ncc1S(=O)(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000765097443 637740491 /nfs/dbraw/zinc/74/04/91/637740491.db2.gz HFSAHZBANDKAHA-UHFFFAOYSA-N 1 2 389.869 -0.251 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCC1(O)CCC2(CC1)OCCO2 ZINC000766063540 637745588 /nfs/dbraw/zinc/74/55/88/637745588.db2.gz GADDFBQQHYUJEU-UHFFFAOYSA-N 1 2 378.491 -0.324 20 0 GBADLO CON(C)C(=O)[C@H](CCSC)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766064122 637745533 /nfs/dbraw/zinc/74/55/33/637745533.db2.gz IXLJRTLFDSBLCD-ZDUSSCGKSA-N 1 2 383.536 -0.230 20 0 GBADLO CCOC1CC(CNC(=S)NCCNS(C)(=O)=O)([NH+]2CCOCC2)C1 ZINC000766521531 637748647 /nfs/dbraw/zinc/74/86/47/637748647.db2.gz FYHLQASSULOXFK-UHFFFAOYSA-N 1 2 394.563 -0.730 20 0 GBADLO CNS(=O)(=O)CCC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000767112140 637754451 /nfs/dbraw/zinc/75/44/51/637754451.db2.gz OEGFPQJXNITJAN-UHFFFAOYSA-N 1 2 389.499 -0.125 20 0 GBADLO CN(CCCNC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1)S(C)(=O)=O ZINC000767115350 637754361 /nfs/dbraw/zinc/75/43/61/637754361.db2.gz IGSRSEKKHZAVDX-GFCCVEGCSA-N 1 2 381.520 -0.635 20 0 GBADLO CN(CCCNC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1)S(C)(=O)=O ZINC000767115350 637754355 /nfs/dbraw/zinc/75/43/55/637754355.db2.gz IGSRSEKKHZAVDX-GFCCVEGCSA-N 1 2 381.520 -0.635 20 0 GBADLO CN(CCCNC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1)S(C)(=O)=O ZINC000767115352 637754308 /nfs/dbraw/zinc/75/43/08/637754308.db2.gz IGSRSEKKHZAVDX-LBPRGKRZSA-N 1 2 381.520 -0.635 20 0 GBADLO CN(CCCNC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1)S(C)(=O)=O ZINC000767115352 637754301 /nfs/dbraw/zinc/75/43/01/637754301.db2.gz IGSRSEKKHZAVDX-LBPRGKRZSA-N 1 2 381.520 -0.635 20 0 GBADLO CCS(=O)(=O)NCC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000767388037 637755921 /nfs/dbraw/zinc/75/59/21/637755921.db2.gz SIVXWPWAICYGRT-UHFFFAOYSA-N 1 2 389.499 -0.125 20 0 GBADLO CCS(=O)(=O)NCC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000767393573 637756407 /nfs/dbraw/zinc/75/64/07/637756407.db2.gz GBRUMXKHDJTEJL-UHFFFAOYSA-N 1 2 389.499 -0.125 20 0 GBADLO CS(=O)(=O)NCC[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767744313 637758936 /nfs/dbraw/zinc/75/89/36/637758936.db2.gz AIMTUKCYPBOZBS-UHFFFAOYSA-N 1 2 376.504 -0.271 20 0 GBADLO CC[NH+](CC)CCN(C(=O)CC1SC(=N)NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000767869568 637760986 /nfs/dbraw/zinc/76/09/86/637760986.db2.gz YACCRGIALZQLBN-NEPJUHHUSA-N 1 2 390.531 -0.100 20 0 GBADLO CC[NH+](CC)CCN(C(=O)C[C@@H]1SC(=N)NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000767869568 637760985 /nfs/dbraw/zinc/76/09/85/637760985.db2.gz YACCRGIALZQLBN-NEPJUHHUSA-N 1 2 390.531 -0.100 20 0 GBADLO CC[NH+](CC)CCN(C(=O)CC1SC(=N)NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000767869580 637760879 /nfs/dbraw/zinc/76/08/79/637760879.db2.gz YACCRGIALZQLBN-NWDGAFQWSA-N 1 2 390.531 -0.100 20 0 GBADLO CC[NH+](CC)CCN(C(=O)C[C@H]1SC(=N)NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000767869580 637760875 /nfs/dbraw/zinc/76/08/75/637760875.db2.gz YACCRGIALZQLBN-NWDGAFQWSA-N 1 2 390.531 -0.100 20 0 GBADLO CC[NH+](CC)CCN(C(=O)CC1SC(=N)NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000767869584 637760742 /nfs/dbraw/zinc/76/07/42/637760742.db2.gz YACCRGIALZQLBN-RYUDHWBXSA-N 1 2 390.531 -0.100 20 0 GBADLO CC[NH+](CC)CCN(C(=O)C[C@@H]1SC(=N)NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000767869584 637760732 /nfs/dbraw/zinc/76/07/32/637760732.db2.gz YACCRGIALZQLBN-RYUDHWBXSA-N 1 2 390.531 -0.100 20 0 GBADLO CC[NH+](CC)CCN(C(=O)CC1SC(=N)NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000767869587 637760867 /nfs/dbraw/zinc/76/08/67/637760867.db2.gz YACCRGIALZQLBN-VXGBXAGGSA-N 1 2 390.531 -0.100 20 0 GBADLO CC[NH+](CC)CCN(C(=O)C[C@H]1SC(=N)NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000767869587 637760862 /nfs/dbraw/zinc/76/08/62/637760862.db2.gz YACCRGIALZQLBN-VXGBXAGGSA-N 1 2 390.531 -0.100 20 0 GBADLO CNc1nc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000769479043 637767687 /nfs/dbraw/zinc/76/76/87/637767687.db2.gz WWKYGRBAGOFIBQ-UHFFFAOYSA-N 1 2 388.519 -0.565 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000769672904 637770253 /nfs/dbraw/zinc/77/02/53/637770253.db2.gz LVTLBZAQYFGVHG-CVEARBPZSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000769672904 637770247 /nfs/dbraw/zinc/77/02/47/637770247.db2.gz LVTLBZAQYFGVHG-CVEARBPZSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000769672909 637770318 /nfs/dbraw/zinc/77/03/18/637770318.db2.gz LVTLBZAQYFGVHG-HOTGVXAUSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000769672909 637770309 /nfs/dbraw/zinc/77/03/09/637770309.db2.gz LVTLBZAQYFGVHG-HOTGVXAUSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000769672911 637770037 /nfs/dbraw/zinc/77/00/37/637770037.db2.gz LVTLBZAQYFGVHG-HZPDHXFCSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000769672911 637770009 /nfs/dbraw/zinc/77/00/09/637770009.db2.gz LVTLBZAQYFGVHG-HZPDHXFCSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000769672913 637770375 /nfs/dbraw/zinc/77/03/75/637770375.db2.gz LVTLBZAQYFGVHG-JKSUJKDBSA-N 1 2 390.527 -0.167 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000769672913 637770370 /nfs/dbraw/zinc/77/03/70/637770370.db2.gz LVTLBZAQYFGVHG-JKSUJKDBSA-N 1 2 390.527 -0.167 20 0 GBADLO CCOC1CC(O)(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000770567753 637775699 /nfs/dbraw/zinc/77/56/99/637775699.db2.gz HBBWJGYUOSLVNY-UHFFFAOYSA-N 1 2 377.507 -0.275 20 0 GBADLO COCC[C@]1(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCOC1 ZINC000770567767 637775434 /nfs/dbraw/zinc/77/54/34/637775434.db2.gz HNLHILUEOHJTDS-INIZCTEOSA-N 1 2 377.507 -0.010 20 0 GBADLO COCC[C@@]1(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCOC1 ZINC000770567778 637775631 /nfs/dbraw/zinc/77/56/31/637775631.db2.gz HNLHILUEOHJTDS-MRXNPFEDSA-N 1 2 377.507 -0.010 20 0 GBADLO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000770954895 637777774 /nfs/dbraw/zinc/77/77/74/637777774.db2.gz IVYYZRZUPPWRKO-CYBMUJFWSA-N 1 2 397.563 -0.425 20 0 GBADLO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000770954900 637777649 /nfs/dbraw/zinc/77/76/49/637777649.db2.gz IVYYZRZUPPWRKO-ZDUSSCGKSA-N 1 2 397.563 -0.425 20 0 GBADLO COC(=O)c1cc(S(N)(=O)=O)ccc1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000771144826 637777469 /nfs/dbraw/zinc/77/74/69/637777469.db2.gz JEFDHVQRJWUJQN-DEOSSOPVSA-N 1 2 389.499 -0.379 20 0 GBADLO COC(=O)c1cc(S(N)(=O)=O)ccc1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000771144831 637777542 /nfs/dbraw/zinc/77/75/42/637777542.db2.gz JEFDHVQRJWUJQN-XMMPIXPASA-N 1 2 389.499 -0.379 20 0 GBADLO CCNC(=O)C(C)(C)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000773011662 637786603 /nfs/dbraw/zinc/78/66/03/637786603.db2.gz CMVHWBIPRHAGEK-UHFFFAOYSA-N 1 2 376.523 -0.043 20 0 GBADLO COCCCOC1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000774213332 637794111 /nfs/dbraw/zinc/79/41/11/637794111.db2.gz YKERWCYDFBKITM-UHFFFAOYSA-N 1 2 377.507 -0.058 20 0 GBADLO O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCN(CCCn2cc[nH+]c2)CC1 ZINC000775976873 637801263 /nfs/dbraw/zinc/80/12/63/637801263.db2.gz BIWVNHVKXHNHFE-AWEZNQCLSA-N 1 2 376.504 -0.592 20 0 GBADLO O=S(=O)([C@@H]1CCS(=O)(=O)C1)N1CCN(CCCn2cc[nH+]c2)CC1 ZINC000775976876 637801020 /nfs/dbraw/zinc/80/10/20/637801020.db2.gz BIWVNHVKXHNHFE-CQSZACIVSA-N 1 2 376.504 -0.592 20 0 GBADLO CCO[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H]1OC ZINC000776133780 637801952 /nfs/dbraw/zinc/80/19/52/637801952.db2.gz KUDWLJXGUDIHSC-KFWWJZLASA-N 1 2 377.507 -0.013 20 0 GBADLO CCO[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H]1OC ZINC000776133782 637802122 /nfs/dbraw/zinc/80/21/22/637802122.db2.gz KUDWLJXGUDIHSC-RBSFLKMASA-N 1 2 377.507 -0.013 20 0 GBADLO CCO[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H]1OC ZINC000776133783 637801839 /nfs/dbraw/zinc/80/18/39/637801839.db2.gz KUDWLJXGUDIHSC-RRFJBIMHSA-N 1 2 377.507 -0.013 20 0 GBADLO CCO[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H]1OC ZINC000776133785 637802135 /nfs/dbraw/zinc/80/21/35/637802135.db2.gz KUDWLJXGUDIHSC-ZNMIVQPWSA-N 1 2 377.507 -0.013 20 0 GBADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000776607378 637804913 /nfs/dbraw/zinc/80/49/13/637804913.db2.gz XSTUUNLEPMPIKX-CJAAZZPWSA-N 1 2 391.515 -0.068 20 0 GBADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000776607378 637804908 /nfs/dbraw/zinc/80/49/08/637804908.db2.gz XSTUUNLEPMPIKX-CJAAZZPWSA-N 1 2 391.515 -0.068 20 0 GBADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000776607380 637804706 /nfs/dbraw/zinc/80/47/06/637804706.db2.gz XSTUUNLEPMPIKX-IGVUGNCQSA-N 1 2 391.515 -0.068 20 0 GBADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000776607380 637804702 /nfs/dbraw/zinc/80/47/02/637804702.db2.gz XSTUUNLEPMPIKX-IGVUGNCQSA-N 1 2 391.515 -0.068 20 0 GBADLO CCOCCOC1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000777743588 637810445 /nfs/dbraw/zinc/81/04/45/637810445.db2.gz PFFMLBXNYKRLDX-UHFFFAOYSA-N 1 2 377.507 -0.058 20 0 GBADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000778123066 637813227 /nfs/dbraw/zinc/81/32/27/637813227.db2.gz YQFAOUBRSYCCKU-NEPJUHHUSA-N 1 2 375.447 -0.583 20 0 GBADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000778123066 637813220 /nfs/dbraw/zinc/81/32/20/637813220.db2.gz YQFAOUBRSYCCKU-NEPJUHHUSA-N 1 2 375.447 -0.583 20 0 GBADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000778123067 637813012 /nfs/dbraw/zinc/81/30/12/637813012.db2.gz YQFAOUBRSYCCKU-NWDGAFQWSA-N 1 2 375.447 -0.583 20 0 GBADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000778123067 637813006 /nfs/dbraw/zinc/81/30/06/637813006.db2.gz YQFAOUBRSYCCKU-NWDGAFQWSA-N 1 2 375.447 -0.583 20 0 GBADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000778123068 637813280 /nfs/dbraw/zinc/81/32/80/637813280.db2.gz YQFAOUBRSYCCKU-RYUDHWBXSA-N 1 2 375.447 -0.583 20 0 GBADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000778123068 637813269 /nfs/dbraw/zinc/81/32/69/637813269.db2.gz YQFAOUBRSYCCKU-RYUDHWBXSA-N 1 2 375.447 -0.583 20 0 GBADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000778123069 637813148 /nfs/dbraw/zinc/81/31/48/637813148.db2.gz YQFAOUBRSYCCKU-VXGBXAGGSA-N 1 2 375.447 -0.583 20 0 GBADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000778123069 637813139 /nfs/dbraw/zinc/81/31/39/637813139.db2.gz YQFAOUBRSYCCKU-VXGBXAGGSA-N 1 2 375.447 -0.583 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCO1 ZINC000779621910 637820925 /nfs/dbraw/zinc/82/09/25/637820925.db2.gz AFVUUHPKUWYPPN-CABCVRRESA-N 1 2 375.491 -0.640 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCO1 ZINC000779621910 637820921 /nfs/dbraw/zinc/82/09/21/637820921.db2.gz AFVUUHPKUWYPPN-CABCVRRESA-N 1 2 375.491 -0.640 20 0 GBADLO C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCO1 ZINC000779621911 637821388 /nfs/dbraw/zinc/82/13/88/637821388.db2.gz AFVUUHPKUWYPPN-GJZGRUSLSA-N 1 2 375.491 -0.640 20 0 GBADLO C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCO1 ZINC000779621911 637821381 /nfs/dbraw/zinc/82/13/81/637821381.db2.gz AFVUUHPKUWYPPN-GJZGRUSLSA-N 1 2 375.491 -0.640 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCO1 ZINC000779621912 637821244 /nfs/dbraw/zinc/82/12/44/637821244.db2.gz AFVUUHPKUWYPPN-HUUCEWRRSA-N 1 2 375.491 -0.640 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCO1 ZINC000779621912 637821237 /nfs/dbraw/zinc/82/12/37/637821237.db2.gz AFVUUHPKUWYPPN-HUUCEWRRSA-N 1 2 375.491 -0.640 20 0 GBADLO C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCO1 ZINC000779621913 637820827 /nfs/dbraw/zinc/82/08/27/637820827.db2.gz AFVUUHPKUWYPPN-LSDHHAIUSA-N 1 2 375.491 -0.640 20 0 GBADLO C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCO1 ZINC000779621913 637820815 /nfs/dbraw/zinc/82/08/15/637820815.db2.gz AFVUUHPKUWYPPN-LSDHHAIUSA-N 1 2 375.491 -0.640 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000780853185 637825137 /nfs/dbraw/zinc/82/51/37/637825137.db2.gz QFARIQFUIVXULD-UHFFFAOYSA-N 1 2 378.495 -0.294 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000780853185 637825128 /nfs/dbraw/zinc/82/51/28/637825128.db2.gz QFARIQFUIVXULD-UHFFFAOYSA-N 1 2 378.495 -0.294 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000781750344 637828780 /nfs/dbraw/zinc/82/87/80/637828780.db2.gz VHGIGTFZFMKNKZ-HNNXBMFYSA-N 1 2 376.500 -0.283 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000781750344 637828773 /nfs/dbraw/zinc/82/87/73/637828773.db2.gz VHGIGTFZFMKNKZ-HNNXBMFYSA-N 1 2 376.500 -0.283 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000781750345 637828585 /nfs/dbraw/zinc/82/85/85/637828585.db2.gz VHGIGTFZFMKNKZ-OAHLLOKOSA-N 1 2 376.500 -0.283 20 0 GBADLO CS(=O)(=O)CCS(=O)(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000781750345 637828570 /nfs/dbraw/zinc/82/85/70/637828570.db2.gz VHGIGTFZFMKNKZ-OAHLLOKOSA-N 1 2 376.500 -0.283 20 0 GBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@@H]4C[C@]4(CO)C3)C2=O)c1 ZINC000782611090 1072811902 /nfs/dbraw/zinc/81/19/02/1072811902.db2.gz BOYWTDKVVIMPTA-FASAQXTFSA-N 1 2 388.424 -0.192 20 0 GBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@@H]4C[C@]4(CO)C3)C2=O)c1 ZINC000782611090 1072811898 /nfs/dbraw/zinc/81/18/98/1072811898.db2.gz BOYWTDKVVIMPTA-FASAQXTFSA-N 1 2 388.424 -0.192 20 0 GBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@H]4C[C@@]4(CO)C3)C2=O)c1 ZINC000782611091 1072811272 /nfs/dbraw/zinc/81/12/72/1072811272.db2.gz BOYWTDKVVIMPTA-VMDGZTHMSA-N 1 2 388.424 -0.192 20 0 GBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)C2=O)c1 ZINC000782611091 1072811266 /nfs/dbraw/zinc/81/12/66/1072811266.db2.gz BOYWTDKVVIMPTA-VMDGZTHMSA-N 1 2 388.424 -0.192 20 0 GBADLO CNS(=O)(=O)CCC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000783190997 637836692 /nfs/dbraw/zinc/83/66/92/637836692.db2.gz WABWPIZGKIDVDY-UHFFFAOYSA-N 1 2 389.499 -0.125 20 0 GBADLO COC[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000784078124 637839504 /nfs/dbraw/zinc/83/95/04/637839504.db2.gz ISFGGNJOARVCNP-DZGCQCFKSA-N 1 2 377.507 -0.059 20 0 GBADLO COC[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000784078125 637839784 /nfs/dbraw/zinc/83/97/84/637839784.db2.gz ISFGGNJOARVCNP-HIFRSBDPSA-N 1 2 377.507 -0.059 20 0 GBADLO COC[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000784078126 637839920 /nfs/dbraw/zinc/83/99/20/637839920.db2.gz ISFGGNJOARVCNP-UKRRQHHQSA-N 1 2 377.507 -0.059 20 0 GBADLO COC[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000784078127 637839620 /nfs/dbraw/zinc/83/96/20/637839620.db2.gz ISFGGNJOARVCNP-ZFWWWQNUSA-N 1 2 377.507 -0.059 20 0 GBADLO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ncsc2S(N)(=O)=O)CC1 ZINC000784667692 637841292 /nfs/dbraw/zinc/84/12/92/637841292.db2.gz BHOHAZUFQOPBPN-SECBINFHSA-N 1 2 376.460 -0.500 20 0 GBADLO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ncsc2S(N)(=O)=O)CC1 ZINC000784667693 637841130 /nfs/dbraw/zinc/84/11/30/637841130.db2.gz BHOHAZUFQOPBPN-VIFPVBQESA-N 1 2 376.460 -0.500 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000784905629 1072133164 /nfs/dbraw/zinc/13/31/64/1072133164.db2.gz LXICADRYYZIBSN-CHWSQXEVSA-N 1 2 399.469 -0.284 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000784905630 1072133243 /nfs/dbraw/zinc/13/32/43/1072133243.db2.gz LXICADRYYZIBSN-OLZOCXBDSA-N 1 2 399.469 -0.284 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784905631 1072133454 /nfs/dbraw/zinc/13/34/54/1072133454.db2.gz LXICADRYYZIBSN-QWHCGFSZSA-N 1 2 399.469 -0.284 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000784905632 1072133484 /nfs/dbraw/zinc/13/34/84/1072133484.db2.gz LXICADRYYZIBSN-STQMWFEESA-N 1 2 399.469 -0.284 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000784907523 1072134772 /nfs/dbraw/zinc/13/47/72/1072134772.db2.gz NIQWOPRXXSJPFB-CYBMUJFWSA-N 1 2 375.433 0.000 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000784907528 1072135105 /nfs/dbraw/zinc/13/51/05/1072135105.db2.gz NIQWOPRXXSJPFB-ZDUSSCGKSA-N 1 2 375.433 0.000 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000784913933 1072139124 /nfs/dbraw/zinc/13/91/24/1072139124.db2.gz IIGARRMMKWZDQZ-CHWSQXEVSA-N 1 2 387.458 -0.584 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000784913934 1072139325 /nfs/dbraw/zinc/13/93/25/1072139325.db2.gz IIGARRMMKWZDQZ-OLZOCXBDSA-N 1 2 387.458 -0.584 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000784913935 1072139055 /nfs/dbraw/zinc/13/90/55/1072139055.db2.gz IIGARRMMKWZDQZ-QWHCGFSZSA-N 1 2 387.458 -0.584 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000784913936 1072139077 /nfs/dbraw/zinc/13/90/77/1072139077.db2.gz IIGARRMMKWZDQZ-STQMWFEESA-N 1 2 387.458 -0.584 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784919390 1072141481 /nfs/dbraw/zinc/14/14/81/1072141481.db2.gz RYRQDFIZHJTKHF-AAEUAGOBSA-N 1 2 388.490 -0.032 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784919391 1072141524 /nfs/dbraw/zinc/14/15/24/1072141524.db2.gz RYRQDFIZHJTKHF-DGCLKSJQSA-N 1 2 388.490 -0.032 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784919392 1072141409 /nfs/dbraw/zinc/14/14/09/1072141409.db2.gz RYRQDFIZHJTKHF-WCQYABFASA-N 1 2 388.490 -0.032 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784919393 1072141309 /nfs/dbraw/zinc/14/13/09/1072141309.db2.gz RYRQDFIZHJTKHF-YPMHNXCESA-N 1 2 388.490 -0.032 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000784919400 1072141452 /nfs/dbraw/zinc/14/14/52/1072141452.db2.gz SCZNYPZIQZRWEA-GFCCVEGCSA-N 1 2 379.417 -0.912 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000784919401 1072141320 /nfs/dbraw/zinc/14/13/20/1072141320.db2.gz SCZNYPZIQZRWEA-LBPRGKRZSA-N 1 2 379.417 -0.912 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000784969274 1072314762 /nfs/dbraw/zinc/31/47/62/1072314762.db2.gz GPCHXFWGALADTA-HNNXBMFYSA-N 1 2 388.428 -0.643 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000784969926 1072315102 /nfs/dbraw/zinc/31/51/02/1072315102.db2.gz GPCHXFWGALADTA-OAHLLOKOSA-N 1 2 388.428 -0.643 20 0 GBADLO CC(C)Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n(C)n1 ZINC000784969949 1072315281 /nfs/dbraw/zinc/31/52/81/1072315281.db2.gz GTBJYPSNLKKBKP-HNNXBMFYSA-N 1 2 381.477 -0.291 20 0 GBADLO CC(C)Cc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n(C)n1 ZINC000784969953 1072315777 /nfs/dbraw/zinc/31/57/77/1072315777.db2.gz GTBJYPSNLKKBKP-OAHLLOKOSA-N 1 2 381.477 -0.291 20 0 GBADLO COC(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000784971200 1072315675 /nfs/dbraw/zinc/31/56/75/1072315675.db2.gz LNTCTXOFQKPOED-HNNXBMFYSA-N 1 2 394.428 -0.045 20 0 GBADLO COC(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000784971201 1072315355 /nfs/dbraw/zinc/31/53/55/1072315355.db2.gz LNTCTXOFQKPOED-OAHLLOKOSA-N 1 2 394.428 -0.045 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(N(C)C)n1 ZINC000784972325 1072316520 /nfs/dbraw/zinc/31/65/20/1072316520.db2.gz QCTHRPHQKSBBSW-AWEZNQCLSA-N 1 2 379.461 -0.454 20 0 GBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(N(C)C)n1 ZINC000784972330 1072316582 /nfs/dbraw/zinc/31/65/82/1072316582.db2.gz QCTHRPHQKSBBSW-CQSZACIVSA-N 1 2 379.461 -0.454 20 0 GBADLO COC(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000784972868 1072317676 /nfs/dbraw/zinc/31/76/76/1072317676.db2.gz RZQXTVGFUXUPES-HNNXBMFYSA-N 1 2 394.428 -0.045 20 0 GBADLO COC(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000784972869 1072317184 /nfs/dbraw/zinc/31/71/84/1072317184.db2.gz RZQXTVGFUXUPES-OAHLLOKOSA-N 1 2 394.428 -0.045 20 0 GBADLO CO[C@H]1Cc2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2C1 ZINC000784972884 1072317099 /nfs/dbraw/zinc/31/70/99/1072317099.db2.gz SGBZBKOCZNCYIF-MSOLQXFVSA-N 1 2 391.468 -0.110 20 0 GBADLO CO[C@@H]1Cc2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2C1 ZINC000784972886 1072317704 /nfs/dbraw/zinc/31/77/04/1072317704.db2.gz SGBZBKOCZNCYIF-QZTJIDSGSA-N 1 2 391.468 -0.110 20 0 GBADLO CO[C@H]1Cc2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2C1 ZINC000784972887 1072317730 /nfs/dbraw/zinc/31/77/30/1072317730.db2.gz SGBZBKOCZNCYIF-ROUUACIJSA-N 1 2 391.468 -0.110 20 0 GBADLO CO[C@@H]1Cc2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2C1 ZINC000784972888 1072317520 /nfs/dbraw/zinc/31/75/20/1072317520.db2.gz SGBZBKOCZNCYIF-ZWKOTPCHSA-N 1 2 391.468 -0.110 20 0 GBADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1F ZINC000784974112 1072318557 /nfs/dbraw/zinc/31/85/57/1072318557.db2.gz YLYGLAHXCXKPRM-CYBMUJFWSA-N 1 2 397.403 -0.298 20 0 GBADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1F ZINC000784974154 1072318786 /nfs/dbraw/zinc/31/87/86/1072318786.db2.gz YLYGLAHXCXKPRM-ZDUSSCGKSA-N 1 2 397.403 -0.298 20 0 GBADLO CN1C(=O)CN(NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1=O ZINC000785305090 1073504878 /nfs/dbraw/zinc/50/48/78/1073504878.db2.gz DNJUHZXASGEROV-UHFFFAOYSA-N 1 2 388.428 -0.702 20 0 GBADLO C[C@H](c1cccc(NC(=O)C(=O)NN2CC(=O)N(C)C2=O)c1)[NH+]1CCOCC1 ZINC000785305981 1073506004 /nfs/dbraw/zinc/50/60/04/1073506004.db2.gz OQJPFPMONVVUKA-GFCCVEGCSA-N 1 2 389.412 -0.057 20 0 GBADLO C[C@@H](c1cccc(NC(=O)C(=O)NN2CC(=O)N(C)C2=O)c1)[NH+]1CCOCC1 ZINC000785305992 1073505865 /nfs/dbraw/zinc/50/58/65/1073505865.db2.gz OQJPFPMONVVUKA-LBPRGKRZSA-N 1 2 389.412 -0.057 20 0 GBADLO COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(C)[nH+]c3N(C)C)C2)nn1 ZINC000785329596 1073544848 /nfs/dbraw/zinc/54/48/48/1073544848.db2.gz AIJQWHRORALIAZ-UHFFFAOYSA-N 1 2 387.400 -0.144 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@]12CCOC2=O ZINC000785346944 1073580225 /nfs/dbraw/zinc/58/02/25/1073580225.db2.gz MMYXOQXXXLVUQV-GOSISDBHSA-N 1 2 391.428 -0.538 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@@]12CCOC2=O ZINC000785346948 1073579529 /nfs/dbraw/zinc/57/95/29/1073579529.db2.gz MMYXOQXXXLVUQV-SFHVURJKSA-N 1 2 391.428 -0.538 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@]12CCOC2=O ZINC000785350233 1073586496 /nfs/dbraw/zinc/58/64/96/1073586496.db2.gz SSORWGIQNNQAHI-GOSISDBHSA-N 1 2 391.428 -0.538 20 0 GBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@]12CCOC2=O ZINC000785350234 1073586654 /nfs/dbraw/zinc/58/66/54/1073586654.db2.gz SSORWGIQNNQAHI-SFHVURJKSA-N 1 2 391.428 -0.538 20 0 GBADLO CS(=O)(=O)CCCCOC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785661347 637847237 /nfs/dbraw/zinc/84/72/37/637847237.db2.gz NBCDNVULVFVFLM-AWEZNQCLSA-N 1 2 376.475 -0.465 20 0 GBADLO CS(=O)(=O)CCCCOC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785661349 637847371 /nfs/dbraw/zinc/84/73/71/637847371.db2.gz NBCDNVULVFVFLM-CQSZACIVSA-N 1 2 376.475 -0.465 20 0 GBADLO C[C@@H](COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CS(C)(=O)=O ZINC000785664057 637847369 /nfs/dbraw/zinc/84/73/69/637847369.db2.gz QLLXWCDJBUDMAU-KBPBESRZSA-N 1 2 376.475 -0.609 20 0 GBADLO C[C@H](COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CS(C)(=O)=O ZINC000785664058 637847384 /nfs/dbraw/zinc/84/73/84/637847384.db2.gz QLLXWCDJBUDMAU-KGLIPLIRSA-N 1 2 376.475 -0.609 20 0 GBADLO C[C@@H](COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CS(C)(=O)=O ZINC000785664059 637847223 /nfs/dbraw/zinc/84/72/23/637847223.db2.gz QLLXWCDJBUDMAU-UONOGXRCSA-N 1 2 376.475 -0.609 20 0 GBADLO C[C@H](COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CS(C)(=O)=O ZINC000785664060 637847391 /nfs/dbraw/zinc/84/73/91/637847391.db2.gz QLLXWCDJBUDMAU-ZIAGYGMSSA-N 1 2 376.475 -0.609 20 0 GBADLO CCCCCC[N@@H+](C)CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000787998381 637857930 /nfs/dbraw/zinc/85/79/30/637857930.db2.gz KZHVUABYQQKPOZ-CVEARBPZSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCCC[N@H+](C)CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000787998381 637857922 /nfs/dbraw/zinc/85/79/22/637857922.db2.gz KZHVUABYQQKPOZ-CVEARBPZSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCCC[N@@H+](C)CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000787998382 637858421 /nfs/dbraw/zinc/85/84/21/637858421.db2.gz KZHVUABYQQKPOZ-HOTGVXAUSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCCC[N@H+](C)CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000787998382 637858416 /nfs/dbraw/zinc/85/84/16/637858416.db2.gz KZHVUABYQQKPOZ-HOTGVXAUSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCCC[N@@H+](C)CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000787998383 637858256 /nfs/dbraw/zinc/85/82/56/637858256.db2.gz KZHVUABYQQKPOZ-HZPDHXFCSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCCC[N@H+](C)CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000787998383 637858251 /nfs/dbraw/zinc/85/82/51/637858251.db2.gz KZHVUABYQQKPOZ-HZPDHXFCSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCCC[N@@H+](C)CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000787998384 637858314 /nfs/dbraw/zinc/85/83/14/637858314.db2.gz KZHVUABYQQKPOZ-JKSUJKDBSA-N 1 2 375.535 -0.199 20 0 GBADLO CCCCCC[N@H+](C)CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000787998384 637858309 /nfs/dbraw/zinc/85/83/09/637858309.db2.gz KZHVUABYQQKPOZ-JKSUJKDBSA-N 1 2 375.535 -0.199 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Br)n[nH]1 ZINC000788299205 637859547 /nfs/dbraw/zinc/85/95/47/637859547.db2.gz PYEWUNZGIYYIRE-JTQLQIEISA-N 1 2 386.250 -0.165 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Br)n[nH]1 ZINC000788299207 637859687 /nfs/dbraw/zinc/85/96/87/637859687.db2.gz PYEWUNZGIYYIRE-SNVBAGLBSA-N 1 2 386.250 -0.165 20 0 GBADLO CS(=O)(=O)CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000788396350 637860977 /nfs/dbraw/zinc/86/09/77/637860977.db2.gz LMFRPPKUCUIZGU-UHFFFAOYSA-N 1 2 377.532 -0.375 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+](CCN2CCN(S(N)(=O)=O)CC2)CC1 ZINC000788483384 637861886 /nfs/dbraw/zinc/86/18/86/637861886.db2.gz QJQQLWOZIHQNOJ-UHFFFAOYSA-N 1 2 377.511 -0.640 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000788939966 637864122 /nfs/dbraw/zinc/86/41/22/637864122.db2.gz NBLKAGLFSOOAJQ-AWEZNQCLSA-N 1 2 378.495 -0.990 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000788939975 637864163 /nfs/dbraw/zinc/86/41/63/637864163.db2.gz NBLKAGLFSOOAJQ-CQSZACIVSA-N 1 2 378.495 -0.990 20 0 GBADLO COC[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000788993123 637864232 /nfs/dbraw/zinc/86/42/32/637864232.db2.gz LSVOQCVLKAAEMV-CABCVRRESA-N 1 2 377.507 -0.011 20 0 GBADLO COC[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000788993133 637864100 /nfs/dbraw/zinc/86/41/00/637864100.db2.gz LSVOQCVLKAAEMV-GJZGRUSLSA-N 1 2 377.507 -0.011 20 0 GBADLO COC[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000788993136 637864077 /nfs/dbraw/zinc/86/40/77/637864077.db2.gz LSVOQCVLKAAEMV-HUUCEWRRSA-N 1 2 377.507 -0.011 20 0 GBADLO COC[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000788993138 637864031 /nfs/dbraw/zinc/86/40/31/637864031.db2.gz LSVOQCVLKAAEMV-LSDHHAIUSA-N 1 2 377.507 -0.011 20 0 GBADLO COc1nc(Br)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000789581717 637867714 /nfs/dbraw/zinc/86/77/14/637867714.db2.gz SUMUUQFGGTWOCY-UHFFFAOYSA-N 1 2 387.234 -0.072 20 0 GBADLO CN(CCS(C)(=O)=O)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000789704665 637867692 /nfs/dbraw/zinc/86/76/92/637867692.db2.gz CRNSVLIJVWTODU-UHFFFAOYSA-N 1 2 391.559 -0.033 20 0 GBADLO COC(=O)[C@H](CSCC(=O)NCC(C)(C)[NH+]1CCOCC1)NC(C)=O ZINC000790011656 637868615 /nfs/dbraw/zinc/86/86/15/637868615.db2.gz DDIRXYCRGSQEJJ-ZDUSSCGKSA-N 1 2 375.491 -0.376 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792959720 637881001 /nfs/dbraw/zinc/88/10/01/637881001.db2.gz PWLTYIMVWSQKCI-CYBMUJFWSA-N 1 2 380.511 -0.314 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792959721 637881125 /nfs/dbraw/zinc/88/11/25/637881125.db2.gz PWLTYIMVWSQKCI-ZDUSSCGKSA-N 1 2 380.511 -0.314 20 0 GBADLO CSCCONC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000793255943 637882334 /nfs/dbraw/zinc/88/23/34/637882334.db2.gz WNIWVFQTHSCCOE-UHFFFAOYSA-N 1 2 381.524 -0.900 20 0 GBADLO C[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794804076 637887997 /nfs/dbraw/zinc/88/79/97/637887997.db2.gz SXIKGJNZDCWMMV-AWEZNQCLSA-N 1 2 375.491 -0.246 20 0 GBADLO C[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794804076 637887989 /nfs/dbraw/zinc/88/79/89/637887989.db2.gz SXIKGJNZDCWMMV-AWEZNQCLSA-N 1 2 375.491 -0.246 20 0 GBADLO C[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794804079 637888287 /nfs/dbraw/zinc/88/82/87/637888287.db2.gz SXIKGJNZDCWMMV-CQSZACIVSA-N 1 2 375.491 -0.246 20 0 GBADLO C[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794804079 637888284 /nfs/dbraw/zinc/88/82/84/637888284.db2.gz SXIKGJNZDCWMMV-CQSZACIVSA-N 1 2 375.491 -0.246 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000794804693 637888045 /nfs/dbraw/zinc/88/80/45/637888045.db2.gz UWXONDORQWIFRI-CYBMUJFWSA-N 1 2 376.479 -0.747 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000794804693 637888035 /nfs/dbraw/zinc/88/80/35/637888035.db2.gz UWXONDORQWIFRI-CYBMUJFWSA-N 1 2 376.479 -0.747 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000794804696 637888325 /nfs/dbraw/zinc/88/83/25/637888325.db2.gz UWXONDORQWIFRI-ZDUSSCGKSA-N 1 2 376.479 -0.747 20 0 GBADLO CCOC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000794804696 637888322 /nfs/dbraw/zinc/88/83/22/637888322.db2.gz UWXONDORQWIFRI-ZDUSSCGKSA-N 1 2 376.479 -0.747 20 0 GBADLO COC[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000795651672 637893486 /nfs/dbraw/zinc/89/34/86/637893486.db2.gz ISIBVQGJBQCUHU-DOMZBBRYSA-N 1 2 376.479 -0.496 20 0 GBADLO COC[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000795651672 637893484 /nfs/dbraw/zinc/89/34/84/637893484.db2.gz ISIBVQGJBQCUHU-DOMZBBRYSA-N 1 2 376.479 -0.496 20 0 GBADLO COC[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000795651674 637893370 /nfs/dbraw/zinc/89/33/70/637893370.db2.gz ISIBVQGJBQCUHU-IUODEOHRSA-N 1 2 376.479 -0.496 20 0 GBADLO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000795651674 637893368 /nfs/dbraw/zinc/89/33/68/637893368.db2.gz ISIBVQGJBQCUHU-IUODEOHRSA-N 1 2 376.479 -0.496 20 0 GBADLO COC[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000795651677 637893270 /nfs/dbraw/zinc/89/32/70/637893270.db2.gz ISIBVQGJBQCUHU-SWLSCSKDSA-N 1 2 376.479 -0.496 20 0 GBADLO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000795651677 637893264 /nfs/dbraw/zinc/89/32/64/637893264.db2.gz ISIBVQGJBQCUHU-SWLSCSKDSA-N 1 2 376.479 -0.496 20 0 GBADLO COC[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000795651679 637893346 /nfs/dbraw/zinc/89/33/46/637893346.db2.gz ISIBVQGJBQCUHU-WFASDCNBSA-N 1 2 376.479 -0.496 20 0 GBADLO COC[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000795651679 637893340 /nfs/dbraw/zinc/89/33/40/637893340.db2.gz ISIBVQGJBQCUHU-WFASDCNBSA-N 1 2 376.479 -0.496 20 0 GBADLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000796565462 637897625 /nfs/dbraw/zinc/89/76/25/637897625.db2.gz AXBHCWDBUWAWEG-UHFFFAOYSA-N 1 2 376.475 -0.322 20 0 GBADLO CC1=C(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)SCCO1 ZINC000798160159 637903495 /nfs/dbraw/zinc/90/34/95/637903495.db2.gz NSXPJJPOEPNDDS-UHFFFAOYSA-N 1 2 390.531 -0.382 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000798330140 637905603 /nfs/dbraw/zinc/90/56/03/637905603.db2.gz CEMZDVACDBOGFQ-LLVKDONJSA-N 1 2 375.422 -0.762 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000798330141 637905723 /nfs/dbraw/zinc/90/57/23/637905723.db2.gz CEMZDVACDBOGFQ-NSHDSACASA-N 1 2 375.422 -0.762 20 0 GBADLO CON(C)C(=O)CC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000799112574 637908096 /nfs/dbraw/zinc/90/80/96/637908096.db2.gz WAHHGASZIZHOQM-KBPBESRZSA-N 1 2 378.495 -0.632 20 0 GBADLO CON(C)C(=O)CC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000799112575 637908335 /nfs/dbraw/zinc/90/83/35/637908335.db2.gz WAHHGASZIZHOQM-OKILXGFUSA-N 1 2 378.495 -0.632 20 0 GBADLO CON(C)C(=O)CC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000799112576 637908425 /nfs/dbraw/zinc/90/84/25/637908425.db2.gz WAHHGASZIZHOQM-ZIAGYGMSSA-N 1 2 378.495 -0.632 20 0 GBADLO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000801114922 638362905 /nfs/dbraw/zinc/36/29/05/638362905.db2.gz IPFRHVFKVRMPMZ-UHFFFAOYSA-N 1 2 376.523 -0.172 20 0 GBADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000801507664 638369128 /nfs/dbraw/zinc/36/91/28/638369128.db2.gz HPHZWDXISQXBNG-AWEZNQCLSA-N 1 2 382.552 -0.528 20 0 GBADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000801507669 638369114 /nfs/dbraw/zinc/36/91/14/638369114.db2.gz HPHZWDXISQXBNG-CQSZACIVSA-N 1 2 382.552 -0.528 20 0 GBADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000802235253 637914870 /nfs/dbraw/zinc/91/48/70/637914870.db2.gz LEMVDMMEOWRFDU-NEPJUHHUSA-N 1 2 375.422 -0.261 20 0 GBADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000802235253 637914867 /nfs/dbraw/zinc/91/48/67/637914867.db2.gz LEMVDMMEOWRFDU-NEPJUHHUSA-N 1 2 375.422 -0.261 20 0 GBADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000802235254 637914838 /nfs/dbraw/zinc/91/48/38/637914838.db2.gz LEMVDMMEOWRFDU-NWDGAFQWSA-N 1 2 375.422 -0.261 20 0 GBADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000802235254 637914836 /nfs/dbraw/zinc/91/48/36/637914836.db2.gz LEMVDMMEOWRFDU-NWDGAFQWSA-N 1 2 375.422 -0.261 20 0 GBADLO O=C(O[C@H]1CC[N@H+](CCF)C1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000802235255 637914776 /nfs/dbraw/zinc/91/47/76/637914776.db2.gz LEMVDMMEOWRFDU-RYUDHWBXSA-N 1 2 375.422 -0.261 20 0 GBADLO O=C(O[C@H]1CC[N@@H+](CCF)C1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000802235255 637914773 /nfs/dbraw/zinc/91/47/73/637914773.db2.gz LEMVDMMEOWRFDU-RYUDHWBXSA-N 1 2 375.422 -0.261 20 0 GBADLO O=C(O[C@@H]1CC[N@H+](CCF)C1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000802235256 637914698 /nfs/dbraw/zinc/91/46/98/637914698.db2.gz LEMVDMMEOWRFDU-VXGBXAGGSA-N 1 2 375.422 -0.261 20 0 GBADLO O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000802235256 637914692 /nfs/dbraw/zinc/91/46/92/637914692.db2.gz LEMVDMMEOWRFDU-VXGBXAGGSA-N 1 2 375.422 -0.261 20 0 GBADLO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C ZINC000804352713 637923846 /nfs/dbraw/zinc/92/38/46/637923846.db2.gz WZSUCCBHTJIJFV-AWEZNQCLSA-N 1 2 377.507 -0.505 20 0 GBADLO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C ZINC000804352713 637923837 /nfs/dbraw/zinc/92/38/37/637923837.db2.gz WZSUCCBHTJIJFV-AWEZNQCLSA-N 1 2 377.507 -0.505 20 0 GBADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C ZINC000804352715 637924060 /nfs/dbraw/zinc/92/40/60/637924060.db2.gz WZSUCCBHTJIJFV-CQSZACIVSA-N 1 2 377.507 -0.505 20 0 GBADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C ZINC000804352715 637924057 /nfs/dbraw/zinc/92/40/57/637924057.db2.gz WZSUCCBHTJIJFV-CQSZACIVSA-N 1 2 377.507 -0.505 20 0 GBADLO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000804355330 637923956 /nfs/dbraw/zinc/92/39/56/637923956.db2.gz XMEAPQLJCGGWPI-AWEZNQCLSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000804355330 637923952 /nfs/dbraw/zinc/92/39/52/637923952.db2.gz XMEAPQLJCGGWPI-AWEZNQCLSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000804355331 637924203 /nfs/dbraw/zinc/92/42/03/637924203.db2.gz XMEAPQLJCGGWPI-CQSZACIVSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000804355331 637924198 /nfs/dbraw/zinc/92/41/98/637924198.db2.gz XMEAPQLJCGGWPI-CQSZACIVSA-N 1 2 375.491 -0.751 20 0 GBADLO CCS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000804550733 637926001 /nfs/dbraw/zinc/92/60/01/637926001.db2.gz KVIIGARXBDNQQD-UHFFFAOYSA-N 1 2 377.507 -0.457 20 0 GBADLO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCS(C)(=O)=O)CC1 ZINC000805156964 637710633 /nfs/dbraw/zinc/71/06/33/637710633.db2.gz LTDRBPXUORHFOS-UHFFFAOYSA-N 1 2 377.507 -0.505 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000805375208 637765289 /nfs/dbraw/zinc/76/52/89/637765289.db2.gz DVEGTTSMLOYNPC-BETUJISGSA-N 1 2 375.491 -0.753 20 0 GBADLO CC1(C)CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC000805375270 637765223 /nfs/dbraw/zinc/76/52/23/637765223.db2.gz HANNCHAAKAMCOM-UHFFFAOYSA-N 1 2 375.491 -0.751 20 0 GBADLO CO[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)C ZINC000805375599 637765364 /nfs/dbraw/zinc/76/53/64/637765364.db2.gz QOHDZKMGGKEVIM-AWEZNQCLSA-N 1 2 377.507 -0.601 20 0 GBADLO CO[C@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)C ZINC000805375600 637765269 /nfs/dbraw/zinc/76/52/69/637765269.db2.gz QOHDZKMGGKEVIM-CQSZACIVSA-N 1 2 377.507 -0.601 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC000805377300 637765258 /nfs/dbraw/zinc/76/52/58/637765258.db2.gz XZWIMYFCJDYULV-AWEZNQCLSA-N 1 2 375.491 -0.751 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC000805377301 637765369 /nfs/dbraw/zinc/76/53/69/637765369.db2.gz XZWIMYFCJDYULV-CQSZACIVSA-N 1 2 375.491 -0.751 20 0 GBADLO C[C@@H]1CSCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805377483 637765311 /nfs/dbraw/zinc/76/53/11/637765311.db2.gz BHKBAEXIMMVWOG-GFCCVEGCSA-N 1 2 377.532 -0.425 20 0 GBADLO C[C@H]1CSCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805377484 637765352 /nfs/dbraw/zinc/76/53/52/637765352.db2.gz BHKBAEXIMMVWOG-LBPRGKRZSA-N 1 2 377.532 -0.425 20 0 GBADLO CSC[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805378349 637766065 /nfs/dbraw/zinc/76/60/65/637766065.db2.gz PXHPBKRNZGPRPX-AWEZNQCLSA-N 1 2 391.559 -0.034 20 0 GBADLO CSC[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805378350 637766042 /nfs/dbraw/zinc/76/60/42/637766042.db2.gz PXHPBKRNZGPRPX-CQSZACIVSA-N 1 2 391.559 -0.034 20 0 GBADLO C[C@@H]1CCSCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805379210 637765821 /nfs/dbraw/zinc/76/58/21/637765821.db2.gz UHRKECSONGVJHS-CYBMUJFWSA-N 1 2 391.559 -0.034 20 0 GBADLO C[C@H]1CCSCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805379211 637766141 /nfs/dbraw/zinc/76/61/41/637766141.db2.gz UHRKECSONGVJHS-ZDUSSCGKSA-N 1 2 391.559 -0.034 20 0 GBADLO C[C@H]1OCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H]1C ZINC000805379261 637766078 /nfs/dbraw/zinc/76/60/78/637766078.db2.gz VYAJFESKZWIZKL-CHWSQXEVSA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805379262 637765960 /nfs/dbraw/zinc/76/59/60/637765960.db2.gz VYAJFESKZWIZKL-OLZOCXBDSA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@H]1OCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H]1C ZINC000805379263 637765751 /nfs/dbraw/zinc/76/57/51/637765751.db2.gz VYAJFESKZWIZKL-QWHCGFSZSA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@@H]1OCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H]1C ZINC000805379264 637765699 /nfs/dbraw/zinc/76/56/99/637765699.db2.gz VYAJFESKZWIZKL-STQMWFEESA-N 1 2 375.491 -0.753 20 0 GBADLO CC[C@H]1COCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805379436 637766112 /nfs/dbraw/zinc/76/61/12/637766112.db2.gz ZAMIHMYXSMFLTP-AWEZNQCLSA-N 1 2 375.491 -0.751 20 0 GBADLO CC[C@@H]1COCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805379437 637765833 /nfs/dbraw/zinc/76/58/33/637765833.db2.gz ZAMIHMYXSMFLTP-CQSZACIVSA-N 1 2 375.491 -0.751 20 0 GBADLO CCSCCCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805379939 637766612 /nfs/dbraw/zinc/76/66/12/637766612.db2.gz WUOZSENNLKYTHN-UHFFFAOYSA-N 1 2 379.548 -0.129 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCS2)CC1 ZINC000805379986 637766024 /nfs/dbraw/zinc/76/60/24/637766024.db2.gz YBHSRZGOOAHXTK-CYBMUJFWSA-N 1 2 377.532 -0.377 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCS2)CC1 ZINC000805379987 637766757 /nfs/dbraw/zinc/76/67/57/637766757.db2.gz YBHSRZGOOAHXTK-ZDUSSCGKSA-N 1 2 377.532 -0.377 20 0 GBADLO COC[C@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)C ZINC000805380166 637766764 /nfs/dbraw/zinc/76/67/64/637766764.db2.gz FJGGNXRROLFZPV-AWEZNQCLSA-N 1 2 377.507 -0.601 20 0 GBADLO COC[C@@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)C ZINC000805380167 637766560 /nfs/dbraw/zinc/76/65/60/637766560.db2.gz FJGGNXRROLFZPV-CQSZACIVSA-N 1 2 377.507 -0.601 20 0 GBADLO C[C@H]1CSCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805380834 637766734 /nfs/dbraw/zinc/76/67/34/637766734.db2.gz YYEYPXKYCWEFIE-CYBMUJFWSA-N 1 2 391.559 -0.177 20 0 GBADLO C[C@@H]1CSCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805380836 637766685 /nfs/dbraw/zinc/76/66/85/637766685.db2.gz YYEYPXKYCWEFIE-ZDUSSCGKSA-N 1 2 391.559 -0.177 20 0 GBADLO CSCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805380993 637766595 /nfs/dbraw/zinc/76/65/95/637766595.db2.gz JQWVVZVUKWZHLF-GFCCVEGCSA-N 1 2 379.548 -0.131 20 0 GBADLO CSCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805380996 637766771 /nfs/dbraw/zinc/76/67/71/637766771.db2.gz JQWVVZVUKWZHLF-LBPRGKRZSA-N 1 2 379.548 -0.131 20 0 GBADLO C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCS1 ZINC000805381066 637766707 /nfs/dbraw/zinc/76/67/07/637766707.db2.gz AWKWYZWYMSBCSA-CYBMUJFWSA-N 1 2 391.559 -0.034 20 0 GBADLO C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCS1 ZINC000805381067 637766630 /nfs/dbraw/zinc/76/66/30/637766630.db2.gz AWKWYZWYMSBCSA-ZDUSSCGKSA-N 1 2 391.559 -0.034 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C)S1 ZINC000805381267 637766646 /nfs/dbraw/zinc/76/66/46/637766646.db2.gz MWEAHJFRRUTTKC-BETUJISGSA-N 1 2 391.559 -0.036 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](C)S1 ZINC000805381269 637766605 /nfs/dbraw/zinc/76/66/05/637766605.db2.gz MWEAHJFRRUTTKC-CHWSQXEVSA-N 1 2 391.559 -0.036 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C)S1 ZINC000805381271 637766715 /nfs/dbraw/zinc/76/67/15/637766715.db2.gz MWEAHJFRRUTTKC-STQMWFEESA-N 1 2 391.559 -0.036 20 0 GBADLO C[C@H]1SCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H]1C ZINC000805381417 637766779 /nfs/dbraw/zinc/76/67/79/637766779.db2.gz GMWQXLINCJPMJW-CHWSQXEVSA-N 1 2 391.559 -0.036 20 0 GBADLO C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805381418 637766639 /nfs/dbraw/zinc/76/66/39/637766639.db2.gz GMWQXLINCJPMJW-OLZOCXBDSA-N 1 2 391.559 -0.036 20 0 GBADLO C[C@H]1SCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H]1C ZINC000805381419 637766710 /nfs/dbraw/zinc/76/67/10/637766710.db2.gz GMWQXLINCJPMJW-QWHCGFSZSA-N 1 2 391.559 -0.036 20 0 GBADLO C[C@@H]1SCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H]1C ZINC000805381421 637766694 /nfs/dbraw/zinc/76/66/94/637766694.db2.gz GMWQXLINCJPMJW-STQMWFEESA-N 1 2 391.559 -0.036 20 0 GBADLO CC1(C)CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCS1 ZINC000805381542 637766742 /nfs/dbraw/zinc/76/67/42/637766742.db2.gz JKFHNHIKSQJKSZ-UHFFFAOYSA-N 1 2 391.559 -0.034 20 0 GBADLO CC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCS1 ZINC000805381993 637766622 /nfs/dbraw/zinc/76/66/22/637766622.db2.gz NPULBQJBYJTMDP-AWEZNQCLSA-N 1 2 391.559 -0.034 20 0 GBADLO CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCS1 ZINC000805381996 637767455 /nfs/dbraw/zinc/76/74/55/637767455.db2.gz NPULBQJBYJTMDP-CQSZACIVSA-N 1 2 391.559 -0.034 20 0 GBADLO CC[C@H](CSC)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805382847 637767360 /nfs/dbraw/zinc/76/73/60/637767360.db2.gz ZRKLZDCNCIJHSE-GFCCVEGCSA-N 1 2 379.548 -0.131 20 0 GBADLO CC[C@@H](CSC)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805382849 637767545 /nfs/dbraw/zinc/76/75/45/637767545.db2.gz ZRKLZDCNCIJHSE-LBPRGKRZSA-N 1 2 379.548 -0.131 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H](C)CO1 ZINC000805382891 637767346 /nfs/dbraw/zinc/76/73/46/637767346.db2.gz JFPLQJVYFWZUOC-CHWSQXEVSA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805382893 637767669 /nfs/dbraw/zinc/76/76/69/637767669.db2.gz JFPLQJVYFWZUOC-OLZOCXBDSA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H](C)CO1 ZINC000805382895 637767555 /nfs/dbraw/zinc/76/75/55/637767555.db2.gz JFPLQJVYFWZUOC-QWHCGFSZSA-N 1 2 375.491 -0.753 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H](C)CO1 ZINC000805382896 637767466 /nfs/dbraw/zinc/76/74/66/637767466.db2.gz JFPLQJVYFWZUOC-STQMWFEESA-N 1 2 375.491 -0.753 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)C1 ZINC000805472736 637785101 /nfs/dbraw/zinc/78/51/01/637785101.db2.gz NTAFJPALBMCJFP-HZSPNIEDSA-N 1 2 376.475 -0.422 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)C1 ZINC000805472736 637785092 /nfs/dbraw/zinc/78/50/92/637785092.db2.gz NTAFJPALBMCJFP-HZSPNIEDSA-N 1 2 376.475 -0.422 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)C1 ZINC000805472737 637785355 /nfs/dbraw/zinc/78/53/55/637785355.db2.gz NTAFJPALBMCJFP-IHRRRGAJSA-N 1 2 376.475 -0.422 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)C1 ZINC000805472737 637785352 /nfs/dbraw/zinc/78/53/52/637785352.db2.gz NTAFJPALBMCJFP-IHRRRGAJSA-N 1 2 376.475 -0.422 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)C1 ZINC000805472738 637785030 /nfs/dbraw/zinc/78/50/30/637785030.db2.gz NTAFJPALBMCJFP-MELADBBJSA-N 1 2 376.475 -0.422 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)C1 ZINC000805472738 637785019 /nfs/dbraw/zinc/78/50/19/637785019.db2.gz NTAFJPALBMCJFP-MELADBBJSA-N 1 2 376.475 -0.422 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)C1 ZINC000805472739 637785231 /nfs/dbraw/zinc/78/52/31/637785231.db2.gz NTAFJPALBMCJFP-RDBSUJKOSA-N 1 2 376.475 -0.422 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)C1 ZINC000805472739 637785227 /nfs/dbraw/zinc/78/52/27/637785227.db2.gz NTAFJPALBMCJFP-RDBSUJKOSA-N 1 2 376.475 -0.422 20 0 GBADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000806198079 637927659 /nfs/dbraw/zinc/92/76/59/637927659.db2.gz JMRCRZWPBHEFNA-CANCMXDXSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000806198079 637927656 /nfs/dbraw/zinc/92/76/56/637927656.db2.gz JMRCRZWPBHEFNA-CANCMXDXSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000806198080 637927776 /nfs/dbraw/zinc/92/77/76/637927776.db2.gz JMRCRZWPBHEFNA-SHZVTRLKSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000806198080 637927772 /nfs/dbraw/zinc/92/77/72/637927772.db2.gz JMRCRZWPBHEFNA-SHZVTRLKSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000806198081 637927841 /nfs/dbraw/zinc/92/78/41/637927841.db2.gz JMRCRZWPBHEFNA-YMXBGEKHSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000806198081 637927839 /nfs/dbraw/zinc/92/78/39/637927839.db2.gz JMRCRZWPBHEFNA-YMXBGEKHSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000806198082 637927807 /nfs/dbraw/zinc/92/78/07/637927807.db2.gz JMRCRZWPBHEFNA-ZJWNCGCPSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000806198082 637927803 /nfs/dbraw/zinc/92/78/03/637927803.db2.gz JMRCRZWPBHEFNA-ZJWNCGCPSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC[N@H+]1CC(C)(C)O ZINC000806198828 637927741 /nfs/dbraw/zinc/92/77/41/637927741.db2.gz UBFSJFSILCYHJJ-CANCMXDXSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000806198828 637927739 /nfs/dbraw/zinc/92/77/39/637927739.db2.gz UBFSJFSILCYHJJ-CANCMXDXSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC[N@H+]1CC(C)(C)O ZINC000806198829 637927866 /nfs/dbraw/zinc/92/78/66/637927866.db2.gz UBFSJFSILCYHJJ-SHZVTRLKSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000806198829 637927861 /nfs/dbraw/zinc/92/78/61/637927861.db2.gz UBFSJFSILCYHJJ-SHZVTRLKSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC[N@H+]1CC(C)(C)O ZINC000806198830 637927880 /nfs/dbraw/zinc/92/78/80/637927880.db2.gz UBFSJFSILCYHJJ-YMXBGEKHSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000806198830 637927876 /nfs/dbraw/zinc/92/78/76/637927876.db2.gz UBFSJFSILCYHJJ-YMXBGEKHSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC[N@H+]1CC(C)(C)O ZINC000806198831 637351784 /nfs/dbraw/zinc/35/17/84/637351784.db2.gz UBFSJFSILCYHJJ-ZJWNCGCPSA-N 1 2 375.535 -0.047 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000806198831 637351774 /nfs/dbraw/zinc/35/17/74/637351774.db2.gz UBFSJFSILCYHJJ-ZJWNCGCPSA-N 1 2 375.535 -0.047 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000806475863 637929061 /nfs/dbraw/zinc/92/90/61/637929061.db2.gz YFIZXJSSHSAGCE-CHWSQXEVSA-N 1 2 377.532 -0.897 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000806475864 637929053 /nfs/dbraw/zinc/92/90/53/637929053.db2.gz YFIZXJSSHSAGCE-OLZOCXBDSA-N 1 2 377.532 -0.897 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000806475865 637929150 /nfs/dbraw/zinc/92/91/50/637929150.db2.gz YFIZXJSSHSAGCE-QWHCGFSZSA-N 1 2 377.532 -0.897 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000806475866 637929178 /nfs/dbraw/zinc/92/91/78/637929178.db2.gz YFIZXJSSHSAGCE-STQMWFEESA-N 1 2 377.532 -0.897 20 0 GBADLO COCC(=O)NC1CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000806626876 637930388 /nfs/dbraw/zinc/93/03/88/637930388.db2.gz HSZAXKLLOPJPCR-UHFFFAOYSA-N 1 2 378.491 -0.030 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCO1 ZINC000806664987 637931271 /nfs/dbraw/zinc/93/12/71/637931271.db2.gz FOOVREQIJWYUDG-GHMZBOCLSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCO1 ZINC000806664987 637931268 /nfs/dbraw/zinc/93/12/68/637931268.db2.gz FOOVREQIJWYUDG-GHMZBOCLSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCO1 ZINC000806664988 637931009 /nfs/dbraw/zinc/93/10/09/637931009.db2.gz FOOVREQIJWYUDG-MNOVXSKESA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCO1 ZINC000806664988 637931005 /nfs/dbraw/zinc/93/10/05/637931005.db2.gz FOOVREQIJWYUDG-MNOVXSKESA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCO1 ZINC000806664989 637931098 /nfs/dbraw/zinc/93/10/98/637931098.db2.gz FOOVREQIJWYUDG-QWRGUYRKSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCO1 ZINC000806664989 637931092 /nfs/dbraw/zinc/93/10/92/637931092.db2.gz FOOVREQIJWYUDG-QWRGUYRKSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCO1 ZINC000806664990 637931120 /nfs/dbraw/zinc/93/11/20/637931120.db2.gz FOOVREQIJWYUDG-WDEREUQCSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCO1 ZINC000806664990 637931114 /nfs/dbraw/zinc/93/11/14/637931114.db2.gz FOOVREQIJWYUDG-WDEREUQCSA-N 1 2 390.428 -0.171 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CCO1 ZINC000806667392 637931046 /nfs/dbraw/zinc/93/10/46/637931046.db2.gz XGUIPGGCXNLSLL-UONOGXRCSA-N 1 2 377.511 -0.723 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CCO1 ZINC000806667392 637931042 /nfs/dbraw/zinc/93/10/42/637931042.db2.gz XGUIPGGCXNLSLL-UONOGXRCSA-N 1 2 377.511 -0.723 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CCO1 ZINC000806667396 637930949 /nfs/dbraw/zinc/93/09/49/637930949.db2.gz XGUIPGGCXNLSLL-ZIAGYGMSSA-N 1 2 377.511 -0.723 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CCO1 ZINC000806667396 637930943 /nfs/dbraw/zinc/93/09/43/637930943.db2.gz XGUIPGGCXNLSLL-ZIAGYGMSSA-N 1 2 377.511 -0.723 20 0 GBADLO CC(C)S(=O)(=O)CCNC(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000808282215 637937968 /nfs/dbraw/zinc/93/79/68/637937968.db2.gz YPUQFAAZMPDGSY-HNNXBMFYSA-N 1 2 376.523 -0.485 20 0 GBADLO CC(C)S(=O)(=O)CCNC(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000808282216 637938050 /nfs/dbraw/zinc/93/80/50/637938050.db2.gz YPUQFAAZMPDGSY-OAHLLOKOSA-N 1 2 376.523 -0.485 20 0 GBADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CCC(C(=O)NCCO)CC1 ZINC000808712031 637939347 /nfs/dbraw/zinc/93/93/47/637939347.db2.gz ZJRQFHWONHMVGE-UHFFFAOYSA-N 1 2 378.491 -0.437 20 0 GBADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000808733665 637939434 /nfs/dbraw/zinc/93/94/34/637939434.db2.gz WWFGNYNQHLKTAD-GFCCVEGCSA-N 1 2 384.520 -0.257 20 0 GBADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000808733665 637939430 /nfs/dbraw/zinc/93/94/30/637939430.db2.gz WWFGNYNQHLKTAD-GFCCVEGCSA-N 1 2 384.520 -0.257 20 0 GBADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000808733666 637939525 /nfs/dbraw/zinc/93/95/25/637939525.db2.gz WWFGNYNQHLKTAD-LBPRGKRZSA-N 1 2 384.520 -0.257 20 0 GBADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000808733666 637939523 /nfs/dbraw/zinc/93/95/23/637939523.db2.gz WWFGNYNQHLKTAD-LBPRGKRZSA-N 1 2 384.520 -0.257 20 0 GBADLO COC(=O)[C@@H](O)C1CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000808740529 637939885 /nfs/dbraw/zinc/93/98/85/637939885.db2.gz LRBFWOJZOWEKKK-AWEZNQCLSA-N 1 2 379.475 -0.011 20 0 GBADLO COC(=O)[C@H](O)C1CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000808740530 637939829 /nfs/dbraw/zinc/93/98/29/637939829.db2.gz LRBFWOJZOWEKKK-CQSZACIVSA-N 1 2 379.475 -0.011 20 0 GBADLO C[C@@H](O)c1ncc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000809548313 637942684 /nfs/dbraw/zinc/94/26/84/637942684.db2.gz IGJDSHCGIMYYTM-CYBMUJFWSA-N 1 2 389.547 -0.194 20 0 GBADLO C[C@H](O)c1ncc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000809548316 637942615 /nfs/dbraw/zinc/94/26/15/637942615.db2.gz IGJDSHCGIMYYTM-ZDUSSCGKSA-N 1 2 389.547 -0.194 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809934976 637945331 /nfs/dbraw/zinc/94/53/31/637945331.db2.gz HADCHISZEUBYJL-HNNXBMFYSA-N 1 2 380.511 -0.314 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809934979 637945398 /nfs/dbraw/zinc/94/53/98/637945398.db2.gz HADCHISZEUBYJL-OAHLLOKOSA-N 1 2 380.511 -0.314 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](CCOCCNC(=O)OC(C)(C)C)CC1 ZINC000809935753 637945449 /nfs/dbraw/zinc/94/54/49/637945449.db2.gz QQKLWDFCGFTFCQ-UHFFFAOYSA-N 1 2 380.511 -0.048 20 0 GBADLO NC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000810149886 637946934 /nfs/dbraw/zinc/94/69/34/637946934.db2.gz WEVPPRHSAYLZEG-UHFFFAOYSA-N 1 2 388.877 -0.362 20 0 GBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000810149886 637946929 /nfs/dbraw/zinc/94/69/29/637946929.db2.gz WEVPPRHSAYLZEG-UHFFFAOYSA-N 1 2 388.877 -0.362 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCO1 ZINC000812020608 637955737 /nfs/dbraw/zinc/95/57/37/637955737.db2.gz GGGQCBJIVUQSMS-AWEZNQCLSA-N 1 2 377.511 -0.769 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCO1 ZINC000812020608 637955734 /nfs/dbraw/zinc/95/57/34/637955734.db2.gz GGGQCBJIVUQSMS-AWEZNQCLSA-N 1 2 377.511 -0.769 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCO1 ZINC000812020609 637955809 /nfs/dbraw/zinc/95/58/09/637955809.db2.gz GGGQCBJIVUQSMS-CQSZACIVSA-N 1 2 377.511 -0.769 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCO1 ZINC000812020609 637955806 /nfs/dbraw/zinc/95/58/06/637955806.db2.gz GGGQCBJIVUQSMS-CQSZACIVSA-N 1 2 377.511 -0.769 20 0 GBADLO COCC[C@H]1COCCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000813064891 637957956 /nfs/dbraw/zinc/95/79/56/637957956.db2.gz PDYMZUGFSYWLAL-HNNXBMFYSA-N 1 2 377.507 -0.058 20 0 GBADLO COCC[C@@H]1COCCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000813064892 637957888 /nfs/dbraw/zinc/95/78/88/637957888.db2.gz PDYMZUGFSYWLAL-OAHLLOKOSA-N 1 2 377.507 -0.058 20 0 GBADLO CC[C@H](C)CONC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000813831126 637961111 /nfs/dbraw/zinc/96/11/11/637961111.db2.gz CPFOHAKIBLHHMN-AWEZNQCLSA-N 1 2 377.511 -0.217 20 0 GBADLO CC[C@@H](C)CONC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000813831127 637961250 /nfs/dbraw/zinc/96/12/50/637961250.db2.gz CPFOHAKIBLHHMN-CQSZACIVSA-N 1 2 377.511 -0.217 20 0 GBADLO CCNC(=O)[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)C ZINC000814366197 637964724 /nfs/dbraw/zinc/96/47/24/637964724.db2.gz KNOGOADVMOSADB-AWEZNQCLSA-N 1 2 376.523 -0.045 20 0 GBADLO C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000817585092 637976940 /nfs/dbraw/zinc/97/69/40/637976940.db2.gz IBSBLDPMAKMYEL-GFCCVEGCSA-N 1 2 386.499 -0.200 20 0 GBADLO C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000817585101 637976835 /nfs/dbraw/zinc/97/68/35/637976835.db2.gz IBSBLDPMAKMYEL-LBPRGKRZSA-N 1 2 386.499 -0.200 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CSCCS2)CC1 ZINC000817824979 637977961 /nfs/dbraw/zinc/97/79/61/637977961.db2.gz ONKCPDMEYRLQQJ-AWEZNQCLSA-N 1 2 391.559 -0.243 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000817824981 637977641 /nfs/dbraw/zinc/97/76/41/637977641.db2.gz ONKCPDMEYRLQQJ-CQSZACIVSA-N 1 2 391.559 -0.243 20 0 GBADLO Cn1[n-]c(Br)c2c(=NCC[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)ncnc1-2 ZINC000819021820 637985828 /nfs/dbraw/zinc/98/58/28/637985828.db2.gz WRFJNPDANOCXKY-LLVKDONJSA-N 1 2 398.309 -0.044 20 0 GBADLO Cn1[n-]c(Br)c2c(=NCC[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)ncnc1-2 ZINC000819021820 637985825 /nfs/dbraw/zinc/98/58/25/637985825.db2.gz WRFJNPDANOCXKY-LLVKDONJSA-N 1 2 398.309 -0.044 20 0 GBADLO Cn1[n-]c(Br)c2c(=NCC[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)ncnc1-2 ZINC000819021824 637986053 /nfs/dbraw/zinc/98/60/53/637986053.db2.gz WRFJNPDANOCXKY-NSHDSACASA-N 1 2 398.309 -0.044 20 0 GBADLO Cn1[n-]c(Br)c2c(=NCC[NH2+]C[C@H](O)C[N@H+](C)C3CC3)ncnc1-2 ZINC000819021824 637986048 /nfs/dbraw/zinc/98/60/48/637986048.db2.gz WRFJNPDANOCXKY-NSHDSACASA-N 1 2 398.309 -0.044 20 0 GBADLO CCS(=O)(=O)CC[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000819210248 637987967 /nfs/dbraw/zinc/98/79/67/637987967.db2.gz AOMVWHNBAWPOOD-UHFFFAOYSA-N 1 2 390.483 -0.145 20 0 GBADLO CS(=O)(=O)CC[NH2+]C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000819210929 637988047 /nfs/dbraw/zinc/98/80/47/637988047.db2.gz MMVDUNBNEMHHDZ-UHFFFAOYSA-N 1 2 376.456 -0.535 20 0 GBADLO CON(C)C(=O)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000819374914 637987877 /nfs/dbraw/zinc/98/78/77/637987877.db2.gz PHMVDGLBBZCKAS-UHFFFAOYSA-N 1 2 393.487 -0.680 20 0 GBADLO CC(=O)N1CC[NH+](CCNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000819796065 599473490 /nfs/dbraw/zinc/47/34/90/599473490.db2.gz BDHRHTUEXGFCOH-UHFFFAOYSA-N 1 2 394.461 -0.910 20 0 GBADLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2C)CC1 ZINC000819796423 606550608 /nfs/dbraw/zinc/55/06/08/606550608.db2.gz IEQPJKCNRLWATK-BLLLJJGKSA-N 1 2 384.444 -0.114 20 0 GBADLO CC(=O)N1CC[NH+]([C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2C)CC1 ZINC000819796424 606550811 /nfs/dbraw/zinc/55/08/11/606550811.db2.gz IEQPJKCNRLWATK-LRDDRELGSA-N 1 2 384.444 -0.114 20 0 GBADLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)nc3)C[C@H]2C)CC1 ZINC000819796425 606550433 /nfs/dbraw/zinc/55/04/33/606550433.db2.gz IEQPJKCNRLWATK-MLGOLLRUSA-N 1 2 384.444 -0.114 20 0 GBADLO CC(=O)N1CC[NH+]([C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)nc3)C[C@H]2C)CC1 ZINC000819796426 606550426 /nfs/dbraw/zinc/55/04/26/606550426.db2.gz IEQPJKCNRLWATK-WBMJQRKESA-N 1 2 384.444 -0.114 20 0 GBADLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)cn3C)C[C@@H]2C)CC1 ZINC000819796540 606550561 /nfs/dbraw/zinc/55/05/61/606550561.db2.gz LDVZMWDEQUIEQM-BLLLJJGKSA-N 1 2 386.460 -0.170 20 0 GBADLO CC(=O)N1CC[NH+]([C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)cn3C)C[C@@H]2C)CC1 ZINC000819796541 606550541 /nfs/dbraw/zinc/55/05/41/606550541.db2.gz LDVZMWDEQUIEQM-LRDDRELGSA-N 1 2 386.460 -0.170 20 0 GBADLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)cn3C)C[C@H]2C)CC1 ZINC000819796542 606550415 /nfs/dbraw/zinc/55/04/15/606550415.db2.gz LDVZMWDEQUIEQM-MLGOLLRUSA-N 1 2 386.460 -0.170 20 0 GBADLO CC(=O)N1CC[NH+]([C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)cn3C)C[C@H]2C)CC1 ZINC000819796543 606550405 /nfs/dbraw/zinc/55/04/05/606550405.db2.gz LDVZMWDEQUIEQM-WBMJQRKESA-N 1 2 386.460 -0.170 20 0 GBADLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2C)CC1 ZINC000819796931 606550361 /nfs/dbraw/zinc/55/03/61/606550361.db2.gz QWPASBKYHXWZFB-BLLLJJGKSA-N 1 2 384.444 -0.114 20 0 GBADLO CC(=O)N1CC[NH+]([C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2C)CC1 ZINC000819796932 606550754 /nfs/dbraw/zinc/55/07/54/606550754.db2.gz QWPASBKYHXWZFB-LRDDRELGSA-N 1 2 384.444 -0.114 20 0 GBADLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cn3)C[C@H]2C)CC1 ZINC000819796934 606550345 /nfs/dbraw/zinc/55/03/45/606550345.db2.gz QWPASBKYHXWZFB-MLGOLLRUSA-N 1 2 384.444 -0.114 20 0 GBADLO CC(=O)N1CC[NH+]([C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cn3)C[C@H]2C)CC1 ZINC000819796935 606550648 /nfs/dbraw/zinc/55/06/48/606550648.db2.gz QWPASBKYHXWZFB-WBMJQRKESA-N 1 2 384.444 -0.114 20 0 GBADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000819876291 606334946 /nfs/dbraw/zinc/33/49/46/606334946.db2.gz FIKVBLFISAPDRP-KBPBESRZSA-N 1 2 389.460 -0.181 20 0 GBADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000819876291 606334945 /nfs/dbraw/zinc/33/49/45/606334945.db2.gz FIKVBLFISAPDRP-KBPBESRZSA-N 1 2 389.460 -0.181 20 0 GBADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000819876292 606334775 /nfs/dbraw/zinc/33/47/75/606334775.db2.gz FIKVBLFISAPDRP-KGLIPLIRSA-N 1 2 389.460 -0.181 20 0 GBADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000819876292 606334774 /nfs/dbraw/zinc/33/47/74/606334774.db2.gz FIKVBLFISAPDRP-KGLIPLIRSA-N 1 2 389.460 -0.181 20 0 GBADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000819876294 606334882 /nfs/dbraw/zinc/33/48/82/606334882.db2.gz FIKVBLFISAPDRP-UONOGXRCSA-N 1 2 389.460 -0.181 20 0 GBADLO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000819876294 606334881 /nfs/dbraw/zinc/33/48/81/606334881.db2.gz FIKVBLFISAPDRP-UONOGXRCSA-N 1 2 389.460 -0.181 20 0 GBADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000819876296 606334870 /nfs/dbraw/zinc/33/48/70/606334870.db2.gz FIKVBLFISAPDRP-ZIAGYGMSSA-N 1 2 389.460 -0.181 20 0 GBADLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000819876296 606334868 /nfs/dbraw/zinc/33/48/68/606334868.db2.gz FIKVBLFISAPDRP-ZIAGYGMSSA-N 1 2 389.460 -0.181 20 0 GBADLO CC(C)(C(N)=O)N1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819892002 945307996 /nfs/dbraw/zinc/30/79/96/945307996.db2.gz PQNGNHKEYUQHAJ-AWEZNQCLSA-N 1 2 389.460 -0.512 20 0 GBADLO CC(C)(C(N)=O)N1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819892003 945308649 /nfs/dbraw/zinc/30/86/49/945308649.db2.gz PQNGNHKEYUQHAJ-CQSZACIVSA-N 1 2 389.460 -0.512 20 0 GBADLO CC(C)[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)N1CC[NH+](C)CC1 ZINC000820020485 599354045 /nfs/dbraw/zinc/35/40/45/599354045.db2.gz HUMPXBOXEHLNFJ-HNNXBMFYSA-N 1 2 394.505 -0.188 20 0 GBADLO CC(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)N1CC[NH+](C)CC1 ZINC000820020486 599354084 /nfs/dbraw/zinc/35/40/84/599354084.db2.gz HUMPXBOXEHLNFJ-OAHLLOKOSA-N 1 2 394.505 -0.188 20 0 GBADLO CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC000820020964 606164977 /nfs/dbraw/zinc/16/49/77/606164977.db2.gz NJURQNZHAVQMIQ-CYBMUJFWSA-N 1 2 376.469 -0.006 20 0 GBADLO CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[NH+]1CCN(C)CC1 ZINC000820020964 606164976 /nfs/dbraw/zinc/16/49/76/606164976.db2.gz NJURQNZHAVQMIQ-CYBMUJFWSA-N 1 2 376.469 -0.006 20 0 GBADLO CC(C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC000820020967 606165274 /nfs/dbraw/zinc/16/52/74/606165274.db2.gz NJURQNZHAVQMIQ-ZDUSSCGKSA-N 1 2 376.469 -0.006 20 0 GBADLO CC(C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[nH]n1)[NH+]1CCN(C)CC1 ZINC000820020967 606165273 /nfs/dbraw/zinc/16/52/73/606165273.db2.gz NJURQNZHAVQMIQ-ZDUSSCGKSA-N 1 2 376.469 -0.006 20 0 GBADLO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)[O-] ZINC000820041936 598189259 /nfs/dbraw/zinc/18/92/59/598189259.db2.gz YAYHDDDJWIIHPE-CQSZACIVSA-N 1 2 375.433 -0.289 20 0 GBADLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)C1 ZINC000820092414 606613767 /nfs/dbraw/zinc/61/37/67/606613767.db2.gz LLIRSBOWRILXRW-CYBMUJFWSA-N 1 2 375.433 -0.499 20 0 GBADLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)C1 ZINC000820092414 606613766 /nfs/dbraw/zinc/61/37/66/606613766.db2.gz LLIRSBOWRILXRW-CYBMUJFWSA-N 1 2 375.433 -0.499 20 0 GBADLO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)C1 ZINC000820092425 606614000 /nfs/dbraw/zinc/61/40/00/606614000.db2.gz LLIRSBOWRILXRW-ZDUSSCGKSA-N 1 2 375.433 -0.499 20 0 GBADLO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)C1 ZINC000820092425 606613999 /nfs/dbraw/zinc/61/39/99/606613999.db2.gz LLIRSBOWRILXRW-ZDUSSCGKSA-N 1 2 375.433 -0.499 20 0 GBADLO CC(C)OCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000820146684 606164409 /nfs/dbraw/zinc/16/44/09/606164409.db2.gz RCDHFDKCCAWOSI-UHFFFAOYSA-N 1 2 392.464 -0.435 20 0 GBADLO CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000820230136 637992109 /nfs/dbraw/zinc/99/21/09/637992109.db2.gz IEBMSZZZMYAKJK-KFWWJZLASA-N 1 2 375.491 -0.642 20 0 GBADLO CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000820230137 637992309 /nfs/dbraw/zinc/99/23/09/637992309.db2.gz IEBMSZZZMYAKJK-ZNMIVQPWSA-N 1 2 375.491 -0.642 20 0 GBADLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820261742 607218723 /nfs/dbraw/zinc/21/87/23/607218723.db2.gz PNPMCAOSVGZXGU-AWEZNQCLSA-N 1 2 396.459 -0.215 20 0 GBADLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820261743 607218915 /nfs/dbraw/zinc/21/89/15/607218915.db2.gz PNPMCAOSVGZXGU-CQSZACIVSA-N 1 2 396.459 -0.215 20 0 GBADLO C[C@H](C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C)CS(C)(=O)=O ZINC000820262518 606880610 /nfs/dbraw/zinc/88/06/10/606880610.db2.gz XWUZGZFVXMMGHI-NEPJUHHUSA-N 1 2 380.478 -0.152 20 0 GBADLO C[C@H](C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C)CS(C)(=O)=O ZINC000820262518 606880609 /nfs/dbraw/zinc/88/06/09/606880609.db2.gz XWUZGZFVXMMGHI-NEPJUHHUSA-N 1 2 380.478 -0.152 20 0 GBADLO C[C@@H](C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C)CS(C)(=O)=O ZINC000820262519 606880516 /nfs/dbraw/zinc/88/05/16/606880516.db2.gz XWUZGZFVXMMGHI-NWDGAFQWSA-N 1 2 380.478 -0.152 20 0 GBADLO C[C@@H](C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C)CS(C)(=O)=O ZINC000820262519 606880514 /nfs/dbraw/zinc/88/05/14/606880514.db2.gz XWUZGZFVXMMGHI-NWDGAFQWSA-N 1 2 380.478 -0.152 20 0 GBADLO C[C@@H](C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C)CS(C)(=O)=O ZINC000820262520 606880585 /nfs/dbraw/zinc/88/05/85/606880585.db2.gz XWUZGZFVXMMGHI-RYUDHWBXSA-N 1 2 380.478 -0.152 20 0 GBADLO C[C@@H](C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C)CS(C)(=O)=O ZINC000820262520 606880584 /nfs/dbraw/zinc/88/05/84/606880584.db2.gz XWUZGZFVXMMGHI-RYUDHWBXSA-N 1 2 380.478 -0.152 20 0 GBADLO C[C@H](C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C)CS(C)(=O)=O ZINC000820262521 606880187 /nfs/dbraw/zinc/88/01/87/606880187.db2.gz XWUZGZFVXMMGHI-VXGBXAGGSA-N 1 2 380.478 -0.152 20 0 GBADLO C[C@H](C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C)CS(C)(=O)=O ZINC000820262521 606880185 /nfs/dbraw/zinc/88/01/85/606880185.db2.gz XWUZGZFVXMMGHI-VXGBXAGGSA-N 1 2 380.478 -0.152 20 0 GBADLO C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C1([NH+]2CCOCC2)CCCC1 ZINC000820335382 607219399 /nfs/dbraw/zinc/21/93/99/607219399.db2.gz XMTCERLYRHKKQX-GFCCVEGCSA-N 1 2 375.437 -0.392 20 0 GBADLO C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C1([NH+]2CCOCC2)CCCC1 ZINC000820335383 607219418 /nfs/dbraw/zinc/21/94/18/607219418.db2.gz XMTCERLYRHKKQX-LBPRGKRZSA-N 1 2 375.437 -0.392 20 0 GBADLO C[C@H](NC(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000820364613 607263646 /nfs/dbraw/zinc/26/36/46/607263646.db2.gz BYIZNZLHCQETAH-AAEUAGOBSA-N 1 2 375.437 -0.308 20 0 GBADLO C[C@H](NC(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@@H]1C[N@H+](C)CCO1 ZINC000820364613 607263645 /nfs/dbraw/zinc/26/36/45/607263645.db2.gz BYIZNZLHCQETAH-AAEUAGOBSA-N 1 2 375.437 -0.308 20 0 GBADLO C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@H]1C[N@@H+](C)CCO1 ZINC000820364614 607263606 /nfs/dbraw/zinc/26/36/06/607263606.db2.gz BYIZNZLHCQETAH-DGCLKSJQSA-N 1 2 375.437 -0.308 20 0 GBADLO C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@H]1C[N@H+](C)CCO1 ZINC000820364614 607263605 /nfs/dbraw/zinc/26/36/05/607263605.db2.gz BYIZNZLHCQETAH-DGCLKSJQSA-N 1 2 375.437 -0.308 20 0 GBADLO C[C@H](NC(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@H]1C[N@@H+](C)CCO1 ZINC000820364615 607264258 /nfs/dbraw/zinc/26/42/58/607264258.db2.gz BYIZNZLHCQETAH-WCQYABFASA-N 1 2 375.437 -0.308 20 0 GBADLO C[C@H](NC(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@H]1C[N@H+](C)CCO1 ZINC000820364615 607264257 /nfs/dbraw/zinc/26/42/57/607264257.db2.gz BYIZNZLHCQETAH-WCQYABFASA-N 1 2 375.437 -0.308 20 0 GBADLO C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000820364616 607264178 /nfs/dbraw/zinc/26/41/78/607264178.db2.gz BYIZNZLHCQETAH-YPMHNXCESA-N 1 2 375.437 -0.308 20 0 GBADLO C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@@H]1C[N@H+](C)CCO1 ZINC000820364616 607264177 /nfs/dbraw/zinc/26/41/77/607264177.db2.gz BYIZNZLHCQETAH-YPMHNXCESA-N 1 2 375.437 -0.308 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000820444071 606995355 /nfs/dbraw/zinc/99/53/55/606995355.db2.gz FLBFRWJBLPDGDJ-LLVKDONJSA-N 1 2 390.429 -0.454 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000820444072 606995002 /nfs/dbraw/zinc/99/50/02/606995002.db2.gz FLBFRWJBLPDGDJ-NSHDSACASA-N 1 2 390.429 -0.454 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000820446693 607023957 /nfs/dbraw/zinc/02/39/57/607023957.db2.gz WRNUAEGGZIZPDN-JTQLQIEISA-N 1 2 390.429 -0.385 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000820446703 607024092 /nfs/dbraw/zinc/02/40/92/607024092.db2.gz WRNUAEGGZIZPDN-SNVBAGLBSA-N 1 2 390.429 -0.385 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCn1cc[nH+]c1 ZINC000820451000 606995108 /nfs/dbraw/zinc/99/51/08/606995108.db2.gz QQWYQNZIQJSKIZ-LLVKDONJSA-N 1 2 390.429 -0.454 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCn1cc[nH+]c1 ZINC000820451001 606995367 /nfs/dbraw/zinc/99/53/67/606995367.db2.gz QQWYQNZIQJSKIZ-NSHDSACASA-N 1 2 390.429 -0.454 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000820451219 607024248 /nfs/dbraw/zinc/02/42/48/607024248.db2.gz SQSPVGBUDBDRNF-JTQLQIEISA-N 1 2 390.429 -0.385 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000820451221 607024324 /nfs/dbraw/zinc/02/43/24/607024324.db2.gz SQSPVGBUDBDRNF-SNVBAGLBSA-N 1 2 390.429 -0.385 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820479693 606609270 /nfs/dbraw/zinc/60/92/70/606609270.db2.gz AZIFVUQBQGLSSS-JTQLQIEISA-N 1 2 377.380 -0.531 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820479694 606608998 /nfs/dbraw/zinc/60/89/98/606608998.db2.gz AZIFVUQBQGLSSS-SNVBAGLBSA-N 1 2 377.380 -0.531 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000820480200 606609297 /nfs/dbraw/zinc/60/92/97/606609297.db2.gz GPCAPSBMMBMDSP-GHMZBOCLSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000820480200 606609295 /nfs/dbraw/zinc/60/92/95/606609295.db2.gz GPCAPSBMMBMDSP-GHMZBOCLSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000820480201 606609020 /nfs/dbraw/zinc/60/90/20/606609020.db2.gz GPCAPSBMMBMDSP-MNOVXSKESA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000820480201 606609018 /nfs/dbraw/zinc/60/90/18/606609018.db2.gz GPCAPSBMMBMDSP-MNOVXSKESA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000820480202 606609379 /nfs/dbraw/zinc/60/93/79/606609379.db2.gz GPCAPSBMMBMDSP-QWRGUYRKSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000820480202 606609378 /nfs/dbraw/zinc/60/93/78/606609378.db2.gz GPCAPSBMMBMDSP-QWRGUYRKSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000820480203 606609384 /nfs/dbraw/zinc/60/93/84/606609384.db2.gz GPCAPSBMMBMDSP-WDEREUQCSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000820480203 606609383 /nfs/dbraw/zinc/60/93/83/606609383.db2.gz GPCAPSBMMBMDSP-WDEREUQCSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@@H](O)c1cn(CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000820480699 606832712 /nfs/dbraw/zinc/83/27/12/606832712.db2.gz MXNAWASYYFCULO-CYBMUJFWSA-N 1 2 397.443 -0.144 20 0 GBADLO C[C@H](O)c1cn(CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000820480701 606832978 /nfs/dbraw/zinc/83/29/78/606832978.db2.gz MXNAWASYYFCULO-ZDUSSCGKSA-N 1 2 397.443 -0.144 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000820480871 606608897 /nfs/dbraw/zinc/60/88/97/606608897.db2.gz QAIHYTHZIKMCIU-JTQLQIEISA-N 1 2 393.835 -0.016 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000820480873 606609322 /nfs/dbraw/zinc/60/93/22/606609322.db2.gz QAIHYTHZIKMCIU-SNVBAGLBSA-N 1 2 393.835 -0.016 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[C@H]1C ZINC000820480962 606403736 /nfs/dbraw/zinc/40/37/36/606403736.db2.gz RGQSOSZYKAEAQR-GHMZBOCLSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[C@H]1C ZINC000820480962 606403735 /nfs/dbraw/zinc/40/37/35/606403735.db2.gz RGQSOSZYKAEAQR-GHMZBOCLSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[C@H]1C ZINC000820480963 606403629 /nfs/dbraw/zinc/40/36/29/606403629.db2.gz RGQSOSZYKAEAQR-MNOVXSKESA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[C@H]1C ZINC000820480963 606403628 /nfs/dbraw/zinc/40/36/28/606403628.db2.gz RGQSOSZYKAEAQR-MNOVXSKESA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000820480964 606403720 /nfs/dbraw/zinc/40/37/20/606403720.db2.gz RGQSOSZYKAEAQR-QWRGUYRKSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000820480964 606403719 /nfs/dbraw/zinc/40/37/19/606403719.db2.gz RGQSOSZYKAEAQR-QWRGUYRKSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000820480965 606403817 /nfs/dbraw/zinc/40/38/17/606403817.db2.gz RGQSOSZYKAEAQR-WDEREUQCSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)C[C@@H]1C ZINC000820480965 606403816 /nfs/dbraw/zinc/40/38/16/606403816.db2.gz RGQSOSZYKAEAQR-WDEREUQCSA-N 1 2 391.407 -0.142 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)CC1 ZINC000820481105 606743030 /nfs/dbraw/zinc/74/30/30/606743030.db2.gz SSUJJEAIQMTBCR-JTQLQIEISA-N 1 2 393.835 -0.016 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)CC1 ZINC000820481107 606742912 /nfs/dbraw/zinc/74/29/12/606742912.db2.gz SSUJJEAIQMTBCR-SNVBAGLBSA-N 1 2 393.835 -0.016 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000820481109 606403761 /nfs/dbraw/zinc/40/37/61/606403761.db2.gz SUGKVSUKFWKXJM-JTQLQIEISA-N 1 2 377.380 -0.531 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000820481111 606403645 /nfs/dbraw/zinc/40/36/45/606403645.db2.gz SUGKVSUKFWKXJM-SNVBAGLBSA-N 1 2 377.380 -0.531 20 0 GBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000820481159 607182922 /nfs/dbraw/zinc/18/29/22/607182922.db2.gz TZQSJSQBKHXPOD-JTQLQIEISA-N 1 2 393.835 -0.016 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000820481161 607182905 /nfs/dbraw/zinc/18/29/05/607182905.db2.gz TZQSJSQBKHXPOD-SNVBAGLBSA-N 1 2 393.835 -0.016 20 0 GBADLO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000820519332 606295321 /nfs/dbraw/zinc/29/53/21/606295321.db2.gz RTUFLZNGTUZRNG-DZGCQCFKSA-N 1 2 390.444 -0.215 20 0 GBADLO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000820519333 606295350 /nfs/dbraw/zinc/29/53/50/606295350.db2.gz RTUFLZNGTUZRNG-HIFRSBDPSA-N 1 2 390.444 -0.215 20 0 GBADLO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000820519334 606295070 /nfs/dbraw/zinc/29/50/70/606295070.db2.gz RTUFLZNGTUZRNG-UKRRQHHQSA-N 1 2 390.444 -0.215 20 0 GBADLO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000820519335 606295194 /nfs/dbraw/zinc/29/51/94/606295194.db2.gz RTUFLZNGTUZRNG-ZFWWWQNUSA-N 1 2 390.444 -0.215 20 0 GBADLO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000820529615 606413341 /nfs/dbraw/zinc/41/33/41/606413341.db2.gz QRBIYOSDHCYMDK-GXTWGEPZSA-N 1 2 376.417 -0.557 20 0 GBADLO C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000820529617 606413196 /nfs/dbraw/zinc/41/31/96/606413196.db2.gz QRBIYOSDHCYMDK-JSGCOSHPSA-N 1 2 376.417 -0.557 20 0 GBADLO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000820529620 606413447 /nfs/dbraw/zinc/41/34/47/606413447.db2.gz QRBIYOSDHCYMDK-OCCSQVGLSA-N 1 2 376.417 -0.557 20 0 GBADLO C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000820529623 606413053 /nfs/dbraw/zinc/41/30/53/606413053.db2.gz QRBIYOSDHCYMDK-TZMCWYRMSA-N 1 2 376.417 -0.557 20 0 GBADLO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000820532959 606295061 /nfs/dbraw/zinc/29/50/61/606295061.db2.gz AEIWIZBIPWZLAZ-KBPBESRZSA-N 1 2 390.444 -0.215 20 0 GBADLO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000820532961 606295178 /nfs/dbraw/zinc/29/51/78/606295178.db2.gz AEIWIZBIPWZLAZ-KGLIPLIRSA-N 1 2 390.444 -0.215 20 0 GBADLO C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000820532963 606295232 /nfs/dbraw/zinc/29/52/32/606295232.db2.gz AEIWIZBIPWZLAZ-UONOGXRCSA-N 1 2 390.444 -0.215 20 0 GBADLO C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000820532965 606295049 /nfs/dbraw/zinc/29/50/49/606295049.db2.gz AEIWIZBIPWZLAZ-ZIAGYGMSSA-N 1 2 390.444 -0.215 20 0 GBADLO C[C@@H]1C[C@@H]([NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658013 599386831 /nfs/dbraw/zinc/38/68/31/599386831.db2.gz OLNVVQTWEFFPAO-KMUNFCNLSA-N 1 2 395.427 -0.090 20 0 GBADLO C[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658015 599387012 /nfs/dbraw/zinc/38/70/12/599387012.db2.gz OLNVVQTWEFFPAO-ONERCXAPSA-N 1 2 395.427 -0.090 20 0 GBADLO C[C@@H]1C[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658016 599386687 /nfs/dbraw/zinc/38/66/87/599386687.db2.gz OLNVVQTWEFFPAO-VCTAVGKDSA-N 1 2 395.427 -0.090 20 0 GBADLO C[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658018 599386509 /nfs/dbraw/zinc/38/65/09/599386509.db2.gz OLNVVQTWEFFPAO-WKPIXPDZSA-N 1 2 395.427 -0.090 20 0 GBADLO C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000820733255 607217465 /nfs/dbraw/zinc/21/74/65/607217465.db2.gz DOIIJKSYZKVFPF-DZGCQCFKSA-N 1 2 397.443 -0.276 20 0 GBADLO C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820733255 607217464 /nfs/dbraw/zinc/21/74/64/607217464.db2.gz DOIIJKSYZKVFPF-DZGCQCFKSA-N 1 2 397.443 -0.276 20 0 GBADLO C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000820733268 607217599 /nfs/dbraw/zinc/21/75/99/607217599.db2.gz DOIIJKSYZKVFPF-HIFRSBDPSA-N 1 2 397.443 -0.276 20 0 GBADLO C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820733268 607217598 /nfs/dbraw/zinc/21/75/98/607217598.db2.gz DOIIJKSYZKVFPF-HIFRSBDPSA-N 1 2 397.443 -0.276 20 0 GBADLO C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000820733272 607217388 /nfs/dbraw/zinc/21/73/88/607217388.db2.gz DOIIJKSYZKVFPF-UKRRQHHQSA-N 1 2 397.443 -0.276 20 0 GBADLO C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000820733272 607217387 /nfs/dbraw/zinc/21/73/87/607217387.db2.gz DOIIJKSYZKVFPF-UKRRQHHQSA-N 1 2 397.443 -0.276 20 0 GBADLO C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000820733275 607217713 /nfs/dbraw/zinc/21/77/13/607217713.db2.gz DOIIJKSYZKVFPF-ZFWWWQNUSA-N 1 2 397.443 -0.276 20 0 GBADLO C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000820733275 607217712 /nfs/dbraw/zinc/21/77/12/607217712.db2.gz DOIIJKSYZKVFPF-ZFWWWQNUSA-N 1 2 397.443 -0.276 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)CCO1 ZINC000820734380 606778051 /nfs/dbraw/zinc/77/80/51/606778051.db2.gz MJZMTBYUZFJOJQ-CHWSQXEVSA-N 1 2 387.448 -0.586 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)CCO1 ZINC000820734380 606778049 /nfs/dbraw/zinc/77/80/49/606778049.db2.gz MJZMTBYUZFJOJQ-CHWSQXEVSA-N 1 2 387.448 -0.586 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000820734381 606777913 /nfs/dbraw/zinc/77/79/13/606777913.db2.gz MJZMTBYUZFJOJQ-OLZOCXBDSA-N 1 2 387.448 -0.586 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000820734381 606777911 /nfs/dbraw/zinc/77/79/11/606777911.db2.gz MJZMTBYUZFJOJQ-OLZOCXBDSA-N 1 2 387.448 -0.586 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)CCO1 ZINC000820734382 606777547 /nfs/dbraw/zinc/77/75/47/606777547.db2.gz MJZMTBYUZFJOJQ-QWHCGFSZSA-N 1 2 387.448 -0.586 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)CCO1 ZINC000820734382 606777546 /nfs/dbraw/zinc/77/75/46/606777546.db2.gz MJZMTBYUZFJOJQ-QWHCGFSZSA-N 1 2 387.448 -0.586 20 0 GBADLO C[C@H]1CN(C(=O)C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)CCO1 ZINC000820734383 606777638 /nfs/dbraw/zinc/77/76/38/606777638.db2.gz MJZMTBYUZFJOJQ-STQMWFEESA-N 1 2 387.448 -0.586 20 0 GBADLO C[C@H]1CN(C(=O)C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)CCO1 ZINC000820734383 606777637 /nfs/dbraw/zinc/77/76/37/606777637.db2.gz MJZMTBYUZFJOJQ-STQMWFEESA-N 1 2 387.448 -0.586 20 0 GBADLO C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820751282 606287173 /nfs/dbraw/zinc/28/71/73/606287173.db2.gz FNIQBBYHTIJGEN-DZGCQCFKSA-N 1 2 388.476 -0.318 20 0 GBADLO C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820751282 606287171 /nfs/dbraw/zinc/28/71/71/606287171.db2.gz FNIQBBYHTIJGEN-DZGCQCFKSA-N 1 2 388.476 -0.318 20 0 GBADLO C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820751285 606286858 /nfs/dbraw/zinc/28/68/58/606286858.db2.gz FNIQBBYHTIJGEN-HIFRSBDPSA-N 1 2 388.476 -0.318 20 0 GBADLO C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820751285 606286857 /nfs/dbraw/zinc/28/68/57/606286857.db2.gz FNIQBBYHTIJGEN-HIFRSBDPSA-N 1 2 388.476 -0.318 20 0 GBADLO C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820751286 606287328 /nfs/dbraw/zinc/28/73/28/606287328.db2.gz FNIQBBYHTIJGEN-UKRRQHHQSA-N 1 2 388.476 -0.318 20 0 GBADLO C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820751286 606287326 /nfs/dbraw/zinc/28/73/26/606287326.db2.gz FNIQBBYHTIJGEN-UKRRQHHQSA-N 1 2 388.476 -0.318 20 0 GBADLO C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820751287 606286919 /nfs/dbraw/zinc/28/69/19/606286919.db2.gz FNIQBBYHTIJGEN-ZFWWWQNUSA-N 1 2 388.476 -0.318 20 0 GBADLO C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000820751287 606286918 /nfs/dbraw/zinc/28/69/18/606286918.db2.gz FNIQBBYHTIJGEN-ZFWWWQNUSA-N 1 2 388.476 -0.318 20 0 GBADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@H](C)O1 ZINC000820752946 607210127 /nfs/dbraw/zinc/21/01/27/607210127.db2.gz URCQVTZAVFJGLF-FRRDWIJNSA-N 1 2 375.437 -0.442 20 0 GBADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@H](C)O1 ZINC000820752946 607210126 /nfs/dbraw/zinc/21/01/26/607210126.db2.gz URCQVTZAVFJGLF-FRRDWIJNSA-N 1 2 375.437 -0.442 20 0 GBADLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@@H](C)O1 ZINC000820752947 607210031 /nfs/dbraw/zinc/21/00/31/607210031.db2.gz URCQVTZAVFJGLF-JHJVBQTASA-N 1 2 375.437 -0.442 20 0 GBADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@@H](C)O1 ZINC000820752948 607210142 /nfs/dbraw/zinc/21/01/42/607210142.db2.gz URCQVTZAVFJGLF-UPJWGTAASA-N 1 2 375.437 -0.442 20 0 GBADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@H](C)O1 ZINC000820752949 607210295 /nfs/dbraw/zinc/21/02/95/607210295.db2.gz URCQVTZAVFJGLF-XQQFMLRXSA-N 1 2 375.437 -0.442 20 0 GBADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@H](C)O1 ZINC000820752949 607210294 /nfs/dbraw/zinc/21/02/94/607210294.db2.gz URCQVTZAVFJGLF-XQQFMLRXSA-N 1 2 375.437 -0.442 20 0 GBADLO C[C@H]1C[NH+](CCCCNc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C[C@H](C)O1 ZINC000820759857 945556881 /nfs/dbraw/zinc/55/68/81/945556881.db2.gz NZQZPNZXIRJSFC-RYUDHWBXSA-N 1 2 392.464 -0.435 20 0 GBADLO C[C@@H]1C[N@H+](CCCCNc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C[C@H](C)O1 ZINC000820759880 945555978 /nfs/dbraw/zinc/55/59/78/945555978.db2.gz NZQZPNZXIRJSFC-TXEJJXNPSA-N 1 2 392.464 -0.435 20 0 GBADLO C[C@@H]1C[N@@H+](CCCCNc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C[C@H](C)O1 ZINC000820759880 945555963 /nfs/dbraw/zinc/55/59/63/945555963.db2.gz NZQZPNZXIRJSFC-TXEJJXNPSA-N 1 2 392.464 -0.435 20 0 GBADLO C[C@@H]1C[NH+](CCCCNc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C[C@@H](C)O1 ZINC000820759881 945557334 /nfs/dbraw/zinc/55/73/34/945557334.db2.gz NZQZPNZXIRJSFC-VXGBXAGGSA-N 1 2 392.464 -0.435 20 0 GBADLO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)CCO1 ZINC000820761253 607210120 /nfs/dbraw/zinc/21/01/20/607210120.db2.gz WGGNUSRQHSKFRB-CYBMUJFWSA-N 1 2 397.443 -0.005 20 0 GBADLO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)CCO1 ZINC000820761253 607210119 /nfs/dbraw/zinc/21/01/19/607210119.db2.gz WGGNUSRQHSKFRB-CYBMUJFWSA-N 1 2 397.443 -0.005 20 0 GBADLO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)CCO1 ZINC000820761254 607210107 /nfs/dbraw/zinc/21/01/07/607210107.db2.gz WGGNUSRQHSKFRB-ZDUSSCGKSA-N 1 2 397.443 -0.005 20 0 GBADLO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)CCO1 ZINC000820761254 607210106 /nfs/dbraw/zinc/21/01/06/607210106.db2.gz WGGNUSRQHSKFRB-ZDUSSCGKSA-N 1 2 397.443 -0.005 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000820768307 637995733 /nfs/dbraw/zinc/99/57/33/637995733.db2.gz NFTFBPXTMQIYCJ-UHFFFAOYSA-N 1 2 397.563 -0.168 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000820774275 606829002 /nfs/dbraw/zinc/82/90/02/606829002.db2.gz ADJRWLIEUKHBTH-CYBMUJFWSA-N 1 2 387.448 -0.584 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000820774276 606829225 /nfs/dbraw/zinc/82/92/25/606829225.db2.gz ADJRWLIEUKHBTH-ZDUSSCGKSA-N 1 2 387.448 -0.584 20 0 GBADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000820782391 637996461 /nfs/dbraw/zinc/99/64/61/637996461.db2.gz ILFLFPWTXKOHRX-BETUJISGSA-N 1 2 385.552 -0.315 20 0 GBADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000820782391 637996455 /nfs/dbraw/zinc/99/64/55/637996455.db2.gz ILFLFPWTXKOHRX-BETUJISGSA-N 1 2 385.552 -0.315 20 0 GBADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)CCS(=O)(=O)N(C)C)C[C@@H](C)O1 ZINC000820782392 637996407 /nfs/dbraw/zinc/99/64/07/637996407.db2.gz ILFLFPWTXKOHRX-CHWSQXEVSA-N 1 2 385.552 -0.315 20 0 GBADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000820782393 637996290 /nfs/dbraw/zinc/99/62/90/637996290.db2.gz ILFLFPWTXKOHRX-STQMWFEESA-N 1 2 385.552 -0.315 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000820783051 637996343 /nfs/dbraw/zinc/99/63/43/637996343.db2.gz JWDLDHRFOLAKOF-UHFFFAOYSA-N 1 2 376.504 -0.007 20 0 GBADLO CCC(CC)[C@H](CNS(=O)(=O)CCS(=O)(=O)N(C)C)[NH+]1CCOCC1 ZINC000820784320 637996436 /nfs/dbraw/zinc/99/64/36/637996436.db2.gz IPBLCJDZNIIAHB-HNNXBMFYSA-N 1 2 399.579 -0.066 20 0 GBADLO CCC(CC)[C@@H](CNS(=O)(=O)CCS(=O)(=O)N(C)C)[NH+]1CCOCC1 ZINC000820784321 637996391 /nfs/dbraw/zinc/99/63/91/637996391.db2.gz IPBLCJDZNIIAHB-OAHLLOKOSA-N 1 2 399.579 -0.066 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000820788247 606852822 /nfs/dbraw/zinc/85/28/22/606852822.db2.gz BQHCDIMDFCDQGT-CHWSQXEVSA-N 1 2 387.448 -0.850 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000820788247 606852821 /nfs/dbraw/zinc/85/28/21/606852821.db2.gz BQHCDIMDFCDQGT-CHWSQXEVSA-N 1 2 387.448 -0.850 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000820788248 606853089 /nfs/dbraw/zinc/85/30/89/606853089.db2.gz BQHCDIMDFCDQGT-OLZOCXBDSA-N 1 2 387.448 -0.850 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000820788248 606853088 /nfs/dbraw/zinc/85/30/88/606853088.db2.gz BQHCDIMDFCDQGT-OLZOCXBDSA-N 1 2 387.448 -0.850 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000820788249 606852559 /nfs/dbraw/zinc/85/25/59/606852559.db2.gz BQHCDIMDFCDQGT-QWHCGFSZSA-N 1 2 387.448 -0.850 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000820788249 606852556 /nfs/dbraw/zinc/85/25/56/606852556.db2.gz BQHCDIMDFCDQGT-QWHCGFSZSA-N 1 2 387.448 -0.850 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000820788250 606852984 /nfs/dbraw/zinc/85/29/84/606852984.db2.gz BQHCDIMDFCDQGT-STQMWFEESA-N 1 2 387.448 -0.850 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000820788250 606852983 /nfs/dbraw/zinc/85/29/83/606852983.db2.gz BQHCDIMDFCDQGT-STQMWFEESA-N 1 2 387.448 -0.850 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCCS(=O)(=O)N(C)C ZINC000820788569 606777201 /nfs/dbraw/zinc/77/72/01/606777201.db2.gz JTFPGTMZISJMDQ-GFCCVEGCSA-N 1 2 395.493 -0.551 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000820788569 606777199 /nfs/dbraw/zinc/77/71/99/606777199.db2.gz JTFPGTMZISJMDQ-GFCCVEGCSA-N 1 2 395.493 -0.551 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCCS(=O)(=O)N(C)C ZINC000820788570 606777678 /nfs/dbraw/zinc/77/76/78/606777678.db2.gz JTFPGTMZISJMDQ-LBPRGKRZSA-N 1 2 395.493 -0.551 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000820788570 606777676 /nfs/dbraw/zinc/77/76/76/606777676.db2.gz JTFPGTMZISJMDQ-LBPRGKRZSA-N 1 2 395.493 -0.551 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000820789147 606762786 /nfs/dbraw/zinc/76/27/86/606762786.db2.gz WKVDWHPTCXPXAZ-GFCCVEGCSA-N 1 2 383.420 -0.227 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000820789148 606763052 /nfs/dbraw/zinc/76/30/52/606763052.db2.gz WKVDWHPTCXPXAZ-LBPRGKRZSA-N 1 2 383.420 -0.227 20 0 GBADLO CC(C)[C@H](CNS(=O)(=O)CCS(=O)(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000820793070 637997638 /nfs/dbraw/zinc/99/76/38/637997638.db2.gz PMRBMYBEIONDGW-AWEZNQCLSA-N 1 2 384.568 -0.931 20 0 GBADLO CC(C)[C@@H](CNS(=O)(=O)CCS(=O)(=O)N(C)C)[NH+]1CCN(C)CC1 ZINC000820793071 637997575 /nfs/dbraw/zinc/99/75/75/637997575.db2.gz PMRBMYBEIONDGW-CQSZACIVSA-N 1 2 384.568 -0.931 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000820803714 606782748 /nfs/dbraw/zinc/78/27/48/606782748.db2.gz GGKDEKWNCPNZPV-LLVKDONJSA-N 1 2 393.415 -0.297 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000820803714 606782747 /nfs/dbraw/zinc/78/27/47/606782747.db2.gz GGKDEKWNCPNZPV-LLVKDONJSA-N 1 2 393.415 -0.297 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000820803715 606783185 /nfs/dbraw/zinc/78/31/85/606783185.db2.gz GGKDEKWNCPNZPV-NSHDSACASA-N 1 2 393.415 -0.297 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000820803715 606783183 /nfs/dbraw/zinc/78/31/83/606783183.db2.gz GGKDEKWNCPNZPV-NSHDSACASA-N 1 2 393.415 -0.297 20 0 GBADLO CCC(CC)[C@@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)[NH+]1CCOCC1 ZINC000820893780 607207498 /nfs/dbraw/zinc/20/74/98/607207498.db2.gz VJPCARNBCJHVFS-CYBMUJFWSA-N 1 2 377.453 -0.289 20 0 GBADLO CCC(CC)[C@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)[NH+]1CCOCC1 ZINC000820893783 607207303 /nfs/dbraw/zinc/20/73/03/607207303.db2.gz VJPCARNBCJHVFS-ZDUSSCGKSA-N 1 2 377.453 -0.289 20 0 GBADLO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820909603 606612615 /nfs/dbraw/zinc/61/26/15/606612615.db2.gz YPLULJGYAKUDNJ-GFCCVEGCSA-N 1 2 391.407 -0.141 20 0 GBADLO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820909604 606612665 /nfs/dbraw/zinc/61/26/65/606612665.db2.gz YPLULJGYAKUDNJ-LBPRGKRZSA-N 1 2 391.407 -0.141 20 0 GBADLO CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820995891 607218077 /nfs/dbraw/zinc/21/80/77/607218077.db2.gz ZVSQMZDWAYHIHN-CYBMUJFWSA-N 1 2 385.436 -0.722 20 0 GBADLO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820995891 607218076 /nfs/dbraw/zinc/21/80/76/607218076.db2.gz ZVSQMZDWAYHIHN-CYBMUJFWSA-N 1 2 385.436 -0.722 20 0 GBADLO CC[C@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820995892 607218133 /nfs/dbraw/zinc/21/81/33/607218133.db2.gz ZVSQMZDWAYHIHN-ZDUSSCGKSA-N 1 2 385.436 -0.722 20 0 GBADLO CC[C@H]1C[N@H+](CCn2cccn2)CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820995892 607218132 /nfs/dbraw/zinc/21/81/32/607218132.db2.gz ZVSQMZDWAYHIHN-ZDUSSCGKSA-N 1 2 385.436 -0.722 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000821114613 606162513 /nfs/dbraw/zinc/16/25/13/606162513.db2.gz ZPVRJRNRUMSUKB-UHFFFAOYSA-N 1 2 390.452 -0.288 20 0 GBADLO CC[NH+](CC)CCO[C@@H]1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821188510 606140005 /nfs/dbraw/zinc/14/00/05/606140005.db2.gz AAHUFDRSRPMYER-GFCCVEGCSA-N 1 2 392.464 -0.799 20 0 GBADLO CC[NH+](CC)CCO[C@H]1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821188532 606139973 /nfs/dbraw/zinc/13/99/73/606139973.db2.gz AAHUFDRSRPMYER-LBPRGKRZSA-N 1 2 392.464 -0.799 20 0 GBADLO CC[NH+](CC)CCN(CCOC)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC000821189161 606240374 /nfs/dbraw/zinc/24/03/74/606240374.db2.gz IQBNZRGVTJVWFE-UHFFFAOYSA-N 1 2 380.453 -0.941 20 0 GBADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CCN2C1=O ZINC000821240474 606454792 /nfs/dbraw/zinc/45/47/92/606454792.db2.gz GYQDNDNUEKMHGO-AWEZNQCLSA-N 1 2 398.427 -0.549 20 0 GBADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CCN2C1=O ZINC000821240474 606454791 /nfs/dbraw/zinc/45/47/91/606454791.db2.gz GYQDNDNUEKMHGO-AWEZNQCLSA-N 1 2 398.427 -0.549 20 0 GBADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CCN2C1=O ZINC000821240476 606454583 /nfs/dbraw/zinc/45/45/83/606454583.db2.gz GYQDNDNUEKMHGO-CQSZACIVSA-N 1 2 398.427 -0.549 20 0 GBADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CCN2C1=O ZINC000821240476 606454581 /nfs/dbraw/zinc/45/45/81/606454581.db2.gz GYQDNDNUEKMHGO-CQSZACIVSA-N 1 2 398.427 -0.549 20 0 GBADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000821242646 606454828 /nfs/dbraw/zinc/45/48/28/606454828.db2.gz VUFLTWYECHVRFQ-AWEZNQCLSA-N 1 2 398.427 -0.549 20 0 GBADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000821242646 606454827 /nfs/dbraw/zinc/45/48/27/606454827.db2.gz VUFLTWYECHVRFQ-AWEZNQCLSA-N 1 2 398.427 -0.549 20 0 GBADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000821242649 606454522 /nfs/dbraw/zinc/45/45/22/606454522.db2.gz VUFLTWYECHVRFQ-CQSZACIVSA-N 1 2 398.427 -0.549 20 0 GBADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000821242649 606454520 /nfs/dbraw/zinc/45/45/20/606454520.db2.gz VUFLTWYECHVRFQ-CQSZACIVSA-N 1 2 398.427 -0.549 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)C1 ZINC000821275754 606830275 /nfs/dbraw/zinc/83/02/75/606830275.db2.gz CUOOXXMUVRATKG-CHWSQXEVSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)C1 ZINC000821275754 606830274 /nfs/dbraw/zinc/83/02/74/606830274.db2.gz CUOOXXMUVRATKG-CHWSQXEVSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)C1 ZINC000821275758 606830483 /nfs/dbraw/zinc/83/04/83/606830483.db2.gz CUOOXXMUVRATKG-OLZOCXBDSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)C1 ZINC000821275758 606830482 /nfs/dbraw/zinc/83/04/82/606830482.db2.gz CUOOXXMUVRATKG-OLZOCXBDSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)C1 ZINC000821275763 606830565 /nfs/dbraw/zinc/83/05/65/606830565.db2.gz CUOOXXMUVRATKG-QWHCGFSZSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)C1 ZINC000821275763 606830564 /nfs/dbraw/zinc/83/05/64/606830564.db2.gz CUOOXXMUVRATKG-QWHCGFSZSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)C1 ZINC000821275767 606830332 /nfs/dbraw/zinc/83/03/32/606830332.db2.gz CUOOXXMUVRATKG-STQMWFEESA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)C1 ZINC000821275767 606830330 /nfs/dbraw/zinc/83/03/30/606830330.db2.gz CUOOXXMUVRATKG-STQMWFEESA-N 1 2 387.448 -0.586 20 0 GBADLO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)cn2)CC1 ZINC000821277766 607208196 /nfs/dbraw/zinc/20/81/96/607208196.db2.gz XRXAKADHHQFDHF-UHFFFAOYSA-N 1 2 397.447 -0.689 20 0 GBADLO CCNC(=O)N1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821286421 606130752 /nfs/dbraw/zinc/13/07/52/606130752.db2.gz RXBKXSYMNIHKMI-AWEZNQCLSA-N 1 2 375.433 -0.047 20 0 GBADLO CCNC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821286423 606130727 /nfs/dbraw/zinc/13/07/27/606130727.db2.gz RXBKXSYMNIHKMI-CQSZACIVSA-N 1 2 375.433 -0.047 20 0 GBADLO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCS(=O)(=NS(C)(=O)=O)CC2)CC1 ZINC000821287292 637999708 /nfs/dbraw/zinc/99/97/08/637999708.db2.gz GISDQXGSQUXYBC-CYBMUJFWSA-N 1 2 380.536 -0.718 20 0 GBADLO CC[NH+]1CCN(C(=O)[C@H](C)N2CCS(=O)(=NS(C)(=O)=O)CC2)CC1 ZINC000821287300 637999890 /nfs/dbraw/zinc/99/98/90/637999890.db2.gz GISDQXGSQUXYBC-ZDUSSCGKSA-N 1 2 380.536 -0.718 20 0 GBADLO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](CCO)CC2)ccc1Br ZINC000821360741 638000371 /nfs/dbraw/zinc/00/03/71/638000371.db2.gz XKQDZPPLDMZYEA-UHFFFAOYSA-N 1 2 392.275 -0.153 20 0 GBADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000821367105 606158460 /nfs/dbraw/zinc/15/84/60/606158460.db2.gz BLFVDNDCYBKUJG-LLVKDONJSA-N 1 2 379.425 -0.853 20 0 GBADLO CCOC[C@@H](O)C[NH+]1CCN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000821367106 606157959 /nfs/dbraw/zinc/15/79/59/606157959.db2.gz BLFVDNDCYBKUJG-NSHDSACASA-N 1 2 379.425 -0.853 20 0 GBADLO CCOC[C@@H](O)CN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821369264 606860385 /nfs/dbraw/zinc/86/03/85/606860385.db2.gz YQTQVITYSAWLGC-DLBZAZTESA-N 1 2 376.461 -0.085 20 0 GBADLO CCOC[C@H](O)CN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821369265 606860412 /nfs/dbraw/zinc/86/04/12/606860412.db2.gz YQTQVITYSAWLGC-IAGOWNOFSA-N 1 2 376.461 -0.085 20 0 GBADLO CCOC[C@@H](O)CN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821369266 606860658 /nfs/dbraw/zinc/86/06/58/606860658.db2.gz YQTQVITYSAWLGC-IRXDYDNUSA-N 1 2 376.461 -0.085 20 0 GBADLO CCOC[C@H](O)CN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821369267 606860352 /nfs/dbraw/zinc/86/03/52/606860352.db2.gz YQTQVITYSAWLGC-SJORKVTESA-N 1 2 376.461 -0.085 20 0 GBADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)CC(F)(F)F ZINC000821376462 638001087 /nfs/dbraw/zinc/00/10/87/638001087.db2.gz AVNZBFROHIZLIC-UHFFFAOYSA-N 1 2 390.428 -0.375 20 0 GBADLO COC(=O)CN(CCn1cnc(Br)n1)CC[NH+]1CCOCC1 ZINC000821379228 638001189 /nfs/dbraw/zinc/00/11/89/638001189.db2.gz CPLZHKJGNMXFLY-UHFFFAOYSA-N 1 2 376.255 -0.152 20 0 GBADLO CCS(=O)(=O)NCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000821441856 606783603 /nfs/dbraw/zinc/78/36/03/606783603.db2.gz PXQJIVQCKJYVHX-LLVKDONJSA-N 1 2 381.466 -0.894 20 0 GBADLO CCS(=O)(=O)NCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000821441856 606783602 /nfs/dbraw/zinc/78/36/02/606783602.db2.gz PXQJIVQCKJYVHX-LLVKDONJSA-N 1 2 381.466 -0.894 20 0 GBADLO CCS(=O)(=O)NCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000821441859 606783714 /nfs/dbraw/zinc/78/37/14/606783714.db2.gz PXQJIVQCKJYVHX-NSHDSACASA-N 1 2 381.466 -0.894 20 0 GBADLO CCS(=O)(=O)NCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000821441859 606783713 /nfs/dbraw/zinc/78/37/13/606783713.db2.gz PXQJIVQCKJYVHX-NSHDSACASA-N 1 2 381.466 -0.894 20 0 GBADLO CCc1nnc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c(-c2nn[nH]n2)c1CC ZINC000821516796 606942538 /nfs/dbraw/zinc/94/25/38/606942538.db2.gz CBDBQTUIAYZQKJ-GFCCVEGCSA-N 1 2 376.465 -0.089 20 0 GBADLO CCc1nnc(N(C)C[C@H](O)C[NH+]2CCOCC2)c(-c2nn[nH]n2)c1CC ZINC000821516799 606942830 /nfs/dbraw/zinc/94/28/30/606942830.db2.gz CBDBQTUIAYZQKJ-LBPRGKRZSA-N 1 2 376.465 -0.089 20 0 GBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000821575820 606739135 /nfs/dbraw/zinc/73/91/35/606739135.db2.gz QIMGXPGTZATSTM-UHFFFAOYSA-N 1 2 394.461 -0.954 20 0 GBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821575917 606738772 /nfs/dbraw/zinc/73/87/72/606738772.db2.gz VGEDIHURHFJJKA-UHFFFAOYSA-N 1 2 393.473 -0.349 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2nn(C)cc2-c2nn[nH]n2)CC1 ZINC000821575922 606161009 /nfs/dbraw/zinc/16/10/09/606161009.db2.gz VJPIBLBVRGFFDG-UHFFFAOYSA-N 1 2 376.425 -0.726 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(NCC2([NH+](C)C)Cc3ccccc3C2)n(C)c1=O ZINC000821581146 599582328 /nfs/dbraw/zinc/58/23/28/599582328.db2.gz DNNGXPOQYOQFFJ-UHFFFAOYSA-N 1 2 396.455 -0.225 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC(OCCC[NH+](C)C)CC2)n(C)c1=O ZINC000821584774 606402933 /nfs/dbraw/zinc/40/29/33/606402933.db2.gz RXJDYQIILOXRHC-UHFFFAOYSA-N 1 2 392.464 -0.799 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N(CC[NH+](C)C)Cc2ccccc2)n(C)c1=O ZINC000821586096 607114388 /nfs/dbraw/zinc/11/43/88/607114388.db2.gz JOKSRHATOQHTFW-UHFFFAOYSA-N 1 2 384.444 -0.168 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N(CC[NH+](C)C)Cc2ccccn2)n(C)c1=O ZINC000821586181 607329199 /nfs/dbraw/zinc/32/91/99/607329199.db2.gz MZFHGZGFSYFKGH-UHFFFAOYSA-N 1 2 385.432 -0.773 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N(CCc2ccccc2)CC[NH+](C)C)n(C)c1=O ZINC000821586319 606224849 /nfs/dbraw/zinc/22/48/49/606224849.db2.gz SKGYSSUPEFPMIC-UHFFFAOYSA-N 1 2 398.471 -0.125 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N(CC[NH+](C)C)Cc2cccs2)n(C)c1=O ZINC000821587439 607114907 /nfs/dbraw/zinc/11/49/07/607114907.db2.gz XEXANXCBUJLPQM-UHFFFAOYSA-N 1 2 390.473 -0.106 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821588540 606852756 /nfs/dbraw/zinc/85/27/56/606852756.db2.gz XPMZBZSDLVPKDF-AWEZNQCLSA-N 1 2 381.462 -0.676 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821588541 606852785 /nfs/dbraw/zinc/85/27/85/606852785.db2.gz XPMZBZSDLVPKDF-CQSZACIVSA-N 1 2 381.462 -0.676 20 0 GBADLO CN(C)c1[nH+]cc(CNC(=O)NCCNc2ncccc2-c2nn[nH]n2)n1C ZINC000821591099 606391808 /nfs/dbraw/zinc/39/18/08/606391808.db2.gz VOKDOFZZHDXHKT-UHFFFAOYSA-N 1 2 385.436 -0.028 20 0 GBADLO CN(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[NH+]1CCOCC1 ZINC000821592469 606335669 /nfs/dbraw/zinc/33/56/69/606335669.db2.gz HKSHJWRGTNPWIT-INIZCTEOSA-N 1 2 389.460 -0.892 20 0 GBADLO CN(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000821592470 606335369 /nfs/dbraw/zinc/33/53/69/606335369.db2.gz HKSHJWRGTNPWIT-MRXNPFEDSA-N 1 2 389.460 -0.892 20 0 GBADLO CN(CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C[C@H](O)C[NH+]1CCOCC1 ZINC000821592552 606336070 /nfs/dbraw/zinc/33/60/70/606336070.db2.gz KUIYJCWZYHHNRP-INIZCTEOSA-N 1 2 389.460 -0.892 20 0 GBADLO CN(CC(=O)NCc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000821592553 606335485 /nfs/dbraw/zinc/33/54/85/606335485.db2.gz KUIYJCWZYHHNRP-MRXNPFEDSA-N 1 2 389.460 -0.892 20 0 GBADLO CN(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@H](O)C[NH+]1CCOCC1 ZINC000821593662 606335778 /nfs/dbraw/zinc/33/57/78/606335778.db2.gz DLOGHSQZTCSCTR-HNNXBMFYSA-N 1 2 375.433 -0.570 20 0 GBADLO CN(CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000821593663 606335323 /nfs/dbraw/zinc/33/53/23/606335323.db2.gz DLOGHSQZTCSCTR-OAHLLOKOSA-N 1 2 375.433 -0.570 20 0 GBADLO CN(CC(=O)Nc1sccc1-c1nn[nH]n1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000821593803 606336419 /nfs/dbraw/zinc/33/64/19/606336419.db2.gz KTQVQXDAKBMRBB-LLVKDONJSA-N 1 2 381.462 -0.508 20 0 GBADLO CN(CC(=O)Nc1sccc1-c1nn[nH]n1)C[C@H](O)C[NH+]1CCOCC1 ZINC000821593804 606336307 /nfs/dbraw/zinc/33/63/07/606336307.db2.gz KTQVQXDAKBMRBB-NSHDSACASA-N 1 2 381.462 -0.508 20 0 GBADLO CN(CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[NH+]1CCOCC1 ZINC000821593940 606336353 /nfs/dbraw/zinc/33/63/53/606336353.db2.gz RAJLUJHSVMJUOP-HNNXBMFYSA-N 1 2 375.433 -0.570 20 0 GBADLO CN(CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000821593941 606336163 /nfs/dbraw/zinc/33/61/63/606336163.db2.gz RAJLUJHSVMJUOP-OAHLLOKOSA-N 1 2 375.433 -0.570 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000821594770 606393344 /nfs/dbraw/zinc/39/33/44/606393344.db2.gz BJWKVIYJDBIWBY-AWEZNQCLSA-N 1 2 393.423 -0.160 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000821594771 606393306 /nfs/dbraw/zinc/39/33/06/606393306.db2.gz BJWKVIYJDBIWBY-CQSZACIVSA-N 1 2 393.423 -0.160 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821594844 606391403 /nfs/dbraw/zinc/39/14/03/606391403.db2.gz DRHYHFWMXOXUEW-HNNXBMFYSA-N 1 2 375.433 -0.299 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821594845 606391436 /nfs/dbraw/zinc/39/14/36/606391436.db2.gz DRHYHFWMXOXUEW-OAHLLOKOSA-N 1 2 375.433 -0.299 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821594910 606295263 /nfs/dbraw/zinc/29/52/63/606295263.db2.gz GITFBNNAENSGNH-AWEZNQCLSA-N 1 2 376.417 -0.603 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821594911 606295033 /nfs/dbraw/zinc/29/50/33/606295033.db2.gz GITFBNNAENSGNH-CQSZACIVSA-N 1 2 376.417 -0.603 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000821594938 606295120 /nfs/dbraw/zinc/29/51/20/606295120.db2.gz HJQHAOWTKJWMHX-HNNXBMFYSA-N 1 2 375.433 -0.570 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000821594939 606295375 /nfs/dbraw/zinc/29/53/75/606295375.db2.gz HJQHAOWTKJWMHX-OAHLLOKOSA-N 1 2 375.433 -0.570 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821594949 606391494 /nfs/dbraw/zinc/39/14/94/606391494.db2.gz HVCAMXYDITVJKR-HNNXBMFYSA-N 1 2 375.433 -0.299 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821594950 606391747 /nfs/dbraw/zinc/39/17/47/606391747.db2.gz HVCAMXYDITVJKR-OAHLLOKOSA-N 1 2 375.433 -0.299 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821594985 606393663 /nfs/dbraw/zinc/39/36/63/606393663.db2.gz JEGGRLXVSAVBSJ-AWEZNQCLSA-N 1 2 393.423 -0.160 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821594986 606393137 /nfs/dbraw/zinc/39/31/37/606393137.db2.gz JEGGRLXVSAVBSJ-CQSZACIVSA-N 1 2 393.423 -0.160 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821595101 606336131 /nfs/dbraw/zinc/33/61/31/606336131.db2.gz MWJKHAKKZFDXRK-CABCVRRESA-N 1 2 375.433 -0.982 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821595102 606336483 /nfs/dbraw/zinc/33/64/83/606336483.db2.gz MWJKHAKKZFDXRK-GJZGRUSLSA-N 1 2 375.433 -0.982 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821595103 606336643 /nfs/dbraw/zinc/33/66/43/606336643.db2.gz MWJKHAKKZFDXRK-HUUCEWRRSA-N 1 2 375.433 -0.982 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821595104 606336258 /nfs/dbraw/zinc/33/62/58/606336258.db2.gz MWJKHAKKZFDXRK-LSDHHAIUSA-N 1 2 375.433 -0.982 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000821595210 606295540 /nfs/dbraw/zinc/29/55/40/606295540.db2.gz PIDAMVDHEKZHRT-CYBMUJFWSA-N 1 2 376.417 -0.603 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COc1ccccc1-c1nn[nH]n1 ZINC000821595211 606295718 /nfs/dbraw/zinc/29/57/18/606295718.db2.gz PIDAMVDHEKZHRT-ZDUSSCGKSA-N 1 2 376.417 -0.603 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000821595237 606295544 /nfs/dbraw/zinc/29/55/44/606295544.db2.gz PZCZETATNQOBTE-AWEZNQCLSA-N 1 2 376.417 -0.603 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COc1cccc(-c2nn[nH]n2)c1 ZINC000821595238 606295746 /nfs/dbraw/zinc/29/57/46/606295746.db2.gz PZCZETATNQOBTE-CQSZACIVSA-N 1 2 376.417 -0.603 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821595366 607302520 /nfs/dbraw/zinc/30/25/20/607302520.db2.gz UYZOFFTUFFHTNC-LLVKDONJSA-N 1 2 381.824 -0.320 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821595367 607302248 /nfs/dbraw/zinc/30/22/48/607302248.db2.gz UYZOFFTUFFHTNC-NSHDSACASA-N 1 2 381.824 -0.320 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821595512 606689681 /nfs/dbraw/zinc/68/96/81/606689681.db2.gz ZOKLQZYDDBMOQN-LLVKDONJSA-N 1 2 382.371 -0.090 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821595513 606689696 /nfs/dbraw/zinc/68/96/96/606689696.db2.gz ZOKLQZYDDBMOQN-NSHDSACASA-N 1 2 382.371 -0.090 20 0 GBADLO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000821601426 606969874 /nfs/dbraw/zinc/96/98/74/606969874.db2.gz GUGAFOOQBWDPCV-UHFFFAOYSA-N 1 2 385.436 -0.132 20 0 GBADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821602485 607218632 /nfs/dbraw/zinc/21/86/32/607218632.db2.gz DZVWCWDZIAUAGG-UHFFFAOYSA-N 1 2 396.459 -0.261 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(NCC[N@@H+](C)Cc2ccc(F)cc2)n(C)c1=O ZINC000821602497 606402554 /nfs/dbraw/zinc/40/25/54/606402554.db2.gz FLAHGRXBRZPTHT-UHFFFAOYSA-N 1 2 388.407 -0.053 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(NCC[N@H+](C)Cc2ccc(F)cc2)n(C)c1=O ZINC000821602497 606402552 /nfs/dbraw/zinc/40/25/52/606402552.db2.gz FLAHGRXBRZPTHT-UHFFFAOYSA-N 1 2 388.407 -0.053 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n(C)c1=O ZINC000821614547 599081107 /nfs/dbraw/zinc/08/11/07/599081107.db2.gz KKCQWAJPIXYXMJ-AWEZNQCLSA-N 1 2 396.455 -0.025 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n(C)c1=O ZINC000821614547 599081105 /nfs/dbraw/zinc/08/11/05/599081105.db2.gz KKCQWAJPIXYXMJ-AWEZNQCLSA-N 1 2 396.455 -0.025 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n(C)c1=O ZINC000821614548 599081855 /nfs/dbraw/zinc/08/18/55/599081855.db2.gz KKCQWAJPIXYXMJ-CQSZACIVSA-N 1 2 396.455 -0.025 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n(C)c1=O ZINC000821614548 599081852 /nfs/dbraw/zinc/08/18/52/599081852.db2.gz KKCQWAJPIXYXMJ-CQSZACIVSA-N 1 2 396.455 -0.025 20 0 GBADLO CN(c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619407 606789100 /nfs/dbraw/zinc/78/91/00/606789100.db2.gz WAFSYZRGDSFMRS-AWEZNQCLSA-N 1 2 396.455 -0.025 20 0 GBADLO CN(c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619407 606789099 /nfs/dbraw/zinc/78/90/99/606789099.db2.gz WAFSYZRGDSFMRS-AWEZNQCLSA-N 1 2 396.455 -0.025 20 0 GBADLO CN(c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821619408 606789424 /nfs/dbraw/zinc/78/94/24/606789424.db2.gz WAFSYZRGDSFMRS-CQSZACIVSA-N 1 2 396.455 -0.025 20 0 GBADLO CN(c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821619408 606789422 /nfs/dbraw/zinc/78/94/22/606789422.db2.gz WAFSYZRGDSFMRS-CQSZACIVSA-N 1 2 396.455 -0.025 20 0 GBADLO CN1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000821620811 945750388 /nfs/dbraw/zinc/75/03/88/945750388.db2.gz WTIXQPONHMSCMD-HNNXBMFYSA-N 1 2 384.444 -0.075 20 0 GBADLO CN1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000821620812 945750861 /nfs/dbraw/zinc/75/08/61/945750861.db2.gz WTIXQPONHMSCMD-OAHLLOKOSA-N 1 2 384.444 -0.075 20 0 GBADLO C[NH+]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000821625940 606881123 /nfs/dbraw/zinc/88/11/23/606881123.db2.gz YSWSCCYZXJBXMA-UHFFFAOYSA-N 1 2 396.415 -0.781 20 0 GBADLO C[NH+]1CCN(Cc2cccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)CC1 ZINC000821626811 607210768 /nfs/dbraw/zinc/21/07/68/607210768.db2.gz ABDYYJSWRSSGJU-UHFFFAOYSA-N 1 2 382.432 -0.156 20 0 GBADLO C[NH+]1CCN(C[C@@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000821626831 945756645 /nfs/dbraw/zinc/75/66/45/945756645.db2.gz ARQYTPYBMXTKNY-MSOLQXFVSA-N 1 2 387.488 -0.152 20 0 GBADLO C[NH+]1CCN(C[C@@H]2CN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000821626832 945755716 /nfs/dbraw/zinc/75/57/16/945755716.db2.gz ARQYTPYBMXTKNY-QZTJIDSGSA-N 1 2 387.488 -0.152 20 0 GBADLO C[NH+]1CCN(C[C@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000821626833 945755870 /nfs/dbraw/zinc/75/58/70/945755870.db2.gz ARQYTPYBMXTKNY-ROUUACIJSA-N 1 2 387.488 -0.152 20 0 GBADLO C[NH+]1CCN(C[C@H]2CN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000821626834 945755414 /nfs/dbraw/zinc/75/54/14/945755414.db2.gz ARQYTPYBMXTKNY-ZWKOTPCHSA-N 1 2 387.488 -0.152 20 0 GBADLO C[NH+]1CCN(C[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c2ccccc2)CC1 ZINC000821627113 607213444 /nfs/dbraw/zinc/21/34/44/607213444.db2.gz NWVCATMSFPJKSF-HNNXBMFYSA-N 1 2 396.459 -0.437 20 0 GBADLO C[NH+]1CCN(C[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c2ccccc2)CC1 ZINC000821627114 607213630 /nfs/dbraw/zinc/21/36/30/607213630.db2.gz NWVCATMSFPJKSF-OAHLLOKOSA-N 1 2 396.459 -0.437 20 0 GBADLO C[NH+]1CCN(Cc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)CC1 ZINC000821627141 607207527 /nfs/dbraw/zinc/20/75/27/607207527.db2.gz OYWNKJRELCRMTJ-UHFFFAOYSA-N 1 2 382.432 -0.156 20 0 GBADLO CN1CC[NH+](C[C@H]2CN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)CCO2)CC1 ZINC000821627379 606553778 /nfs/dbraw/zinc/55/37/78/606553778.db2.gz YVNZJLPWKNHCEJ-KRWDZBQOSA-N 1 2 385.472 -0.116 20 0 GBADLO CN1CC[NH+](C[C@@H]2CN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)CCO2)CC1 ZINC000821627380 606553472 /nfs/dbraw/zinc/55/34/72/606553472.db2.gz YVNZJLPWKNHCEJ-QGZVFWFLSA-N 1 2 385.472 -0.116 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000821628704 599696677 /nfs/dbraw/zinc/69/66/77/599696677.db2.gz OLHZHBFFWKZHMZ-GFCCVEGCSA-N 1 2 388.432 -0.289 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000821628704 599696676 /nfs/dbraw/zinc/69/66/76/599696676.db2.gz OLHZHBFFWKZHMZ-GFCCVEGCSA-N 1 2 388.432 -0.289 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000821628705 599696662 /nfs/dbraw/zinc/69/66/62/599696662.db2.gz OLHZHBFFWKZHMZ-LBPRGKRZSA-N 1 2 388.432 -0.289 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C1 ZINC000821628705 599696661 /nfs/dbraw/zinc/69/66/61/599696661.db2.gz OLHZHBFFWKZHMZ-LBPRGKRZSA-N 1 2 388.432 -0.289 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821629007 607181772 /nfs/dbraw/zinc/18/17/72/607181772.db2.gz WOSLFWXTZRKXDQ-JTQLQIEISA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821629007 607181771 /nfs/dbraw/zinc/18/17/71/607181771.db2.gz WOSLFWXTZRKXDQ-JTQLQIEISA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821629008 607181898 /nfs/dbraw/zinc/18/18/98/607181898.db2.gz WOSLFWXTZRKXDQ-SNVBAGLBSA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821629008 607181897 /nfs/dbraw/zinc/18/18/97/607181897.db2.gz WOSLFWXTZRKXDQ-SNVBAGLBSA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821629154 606739772 /nfs/dbraw/zinc/73/97/72/606739772.db2.gz ZYFHEXKYOSYMQU-JTQLQIEISA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821629154 606739770 /nfs/dbraw/zinc/73/97/70/606739770.db2.gz ZYFHEXKYOSYMQU-JTQLQIEISA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821629155 606739806 /nfs/dbraw/zinc/73/98/06/606739806.db2.gz ZYFHEXKYOSYMQU-SNVBAGLBSA-N 1 2 379.808 -0.095 20 0 GBADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821629155 606739805 /nfs/dbraw/zinc/73/98/05/606739805.db2.gz ZYFHEXKYOSYMQU-SNVBAGLBSA-N 1 2 379.808 -0.095 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821636308 606623599 /nfs/dbraw/zinc/62/35/99/606623599.db2.gz NCJGNIWUUWJCBN-AWEZNQCLSA-N 1 2 393.473 -0.504 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821636308 606623597 /nfs/dbraw/zinc/62/35/97/606623597.db2.gz NCJGNIWUUWJCBN-AWEZNQCLSA-N 1 2 393.473 -0.504 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821636309 606623590 /nfs/dbraw/zinc/62/35/90/606623590.db2.gz NCJGNIWUUWJCBN-CQSZACIVSA-N 1 2 393.473 -0.504 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000821636309 606623588 /nfs/dbraw/zinc/62/35/88/606623588.db2.gz NCJGNIWUUWJCBN-CQSZACIVSA-N 1 2 393.473 -0.504 20 0 GBADLO CNS(=O)(=O)CCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000821636500 606778882 /nfs/dbraw/zinc/77/88/82/606778882.db2.gz SKYDAYKAIVKYGQ-LLVKDONJSA-N 1 2 381.466 -0.894 20 0 GBADLO CNS(=O)(=O)CCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000821636500 606778880 /nfs/dbraw/zinc/77/88/80/606778880.db2.gz SKYDAYKAIVKYGQ-LLVKDONJSA-N 1 2 381.466 -0.894 20 0 GBADLO CNS(=O)(=O)CCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000821636501 606778594 /nfs/dbraw/zinc/77/85/94/606778594.db2.gz SKYDAYKAIVKYGQ-NSHDSACASA-N 1 2 381.466 -0.894 20 0 GBADLO CNS(=O)(=O)CCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000821636501 606778592 /nfs/dbraw/zinc/77/85/92/606778592.db2.gz SKYDAYKAIVKYGQ-NSHDSACASA-N 1 2 381.466 -0.894 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821636567 606623777 /nfs/dbraw/zinc/62/37/77/606623777.db2.gz VHWNJVBXUJFURF-AWEZNQCLSA-N 1 2 393.473 -0.504 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821636567 606623775 /nfs/dbraw/zinc/62/37/75/606623775.db2.gz VHWNJVBXUJFURF-AWEZNQCLSA-N 1 2 393.473 -0.504 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821636568 606623923 /nfs/dbraw/zinc/62/39/23/606623923.db2.gz VHWNJVBXUJFURF-CQSZACIVSA-N 1 2 393.473 -0.504 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821636568 606623921 /nfs/dbraw/zinc/62/39/21/606623921.db2.gz VHWNJVBXUJFURF-CQSZACIVSA-N 1 2 393.473 -0.504 20 0 GBADLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000821649640 606336588 /nfs/dbraw/zinc/33/65/88/606336588.db2.gz ACODOBOUBMIYES-CVEARBPZSA-N 1 2 390.444 -0.294 20 0 GBADLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000821649641 606336203 /nfs/dbraw/zinc/33/62/03/606336203.db2.gz ACODOBOUBMIYES-HOTGVXAUSA-N 1 2 390.444 -0.294 20 0 GBADLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000821649642 606336602 /nfs/dbraw/zinc/33/66/02/606336602.db2.gz ACODOBOUBMIYES-HZPDHXFCSA-N 1 2 390.444 -0.294 20 0 GBADLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000821649643 606336170 /nfs/dbraw/zinc/33/61/70/606336170.db2.gz ACODOBOUBMIYES-JKSUJKDBSA-N 1 2 390.444 -0.294 20 0 GBADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000821650342 606336152 /nfs/dbraw/zinc/33/61/52/606336152.db2.gz PUMSIHJGFWXWRU-CVEARBPZSA-N 1 2 390.444 -0.294 20 0 GBADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000821650343 606336680 /nfs/dbraw/zinc/33/66/80/606336680.db2.gz PUMSIHJGFWXWRU-HOTGVXAUSA-N 1 2 390.444 -0.294 20 0 GBADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000821650344 606336699 /nfs/dbraw/zinc/33/66/99/606336699.db2.gz PUMSIHJGFWXWRU-HZPDHXFCSA-N 1 2 390.444 -0.294 20 0 GBADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000821650345 606336573 /nfs/dbraw/zinc/33/65/73/606336573.db2.gz PUMSIHJGFWXWRU-JKSUJKDBSA-N 1 2 390.444 -0.294 20 0 GBADLO COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000821650808 606317870 /nfs/dbraw/zinc/31/78/70/606317870.db2.gz ZDMRMYZXHORFTA-HNNXBMFYSA-N 1 2 388.428 -0.099 20 0 GBADLO COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000821650809 606317709 /nfs/dbraw/zinc/31/77/09/606317709.db2.gz ZDMRMYZXHORFTA-OAHLLOKOSA-N 1 2 388.428 -0.099 20 0 GBADLO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000821688651 606185973 /nfs/dbraw/zinc/18/59/73/606185973.db2.gz TXJNYJXNVVGYLK-BETUJISGSA-N 1 2 393.448 -0.703 20 0 GBADLO COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000821688651 606185972 /nfs/dbraw/zinc/18/59/72/606185972.db2.gz TXJNYJXNVVGYLK-BETUJISGSA-N 1 2 393.448 -0.703 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821691019 606405232 /nfs/dbraw/zinc/40/52/32/606405232.db2.gz FLNBMLLVCKCKBM-UHFFFAOYSA-N 1 2 377.380 -0.265 20 0 GBADLO COCCNC(=O)CN1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000821691115 607056616 /nfs/dbraw/zinc/05/66/16/607056616.db2.gz JFNDZVDEVAOXQR-UHFFFAOYSA-N 1 2 377.424 -0.114 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000821691185 606605759 /nfs/dbraw/zinc/60/57/59/606605759.db2.gz MFDDGHALOOWKTH-UHFFFAOYSA-N 1 2 389.416 -0.396 20 0 GBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000821691443 606605561 /nfs/dbraw/zinc/60/55/61/606605561.db2.gz UYXNMJAIZZRGSM-UHFFFAOYSA-N 1 2 377.380 -0.265 20 0 GBADLO COCCNC(=O)CN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821691449 606847010 /nfs/dbraw/zinc/84/70/10/606847010.db2.gz VBXNEORUBBLADY-INIZCTEOSA-N 1 2 389.460 -0.720 20 0 GBADLO COCCNC(=O)CN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821691450 606847038 /nfs/dbraw/zinc/84/70/38/606847038.db2.gz VBXNEORUBBLADY-MRXNPFEDSA-N 1 2 389.460 -0.720 20 0 GBADLO COCCNC(=O)CN1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000821691517 607461806 /nfs/dbraw/zinc/46/18/06/607461806.db2.gz XEVULHCFIXISRF-UHFFFAOYSA-N 1 2 389.460 -0.245 20 0 GBADLO CO[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)C1 ZINC000821697673 606518141 /nfs/dbraw/zinc/51/81/41/606518141.db2.gz LUALUORVBVELCY-GFCCVEGCSA-N 1 2 376.421 -0.468 20 0 GBADLO CO[C@@H]1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)C1 ZINC000821697673 606518139 /nfs/dbraw/zinc/51/81/39/606518139.db2.gz LUALUORVBVELCY-GFCCVEGCSA-N 1 2 376.421 -0.468 20 0 GBADLO CO[C@H]1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)C1 ZINC000821697674 606519226 /nfs/dbraw/zinc/51/92/26/606519226.db2.gz LUALUORVBVELCY-LBPRGKRZSA-N 1 2 376.421 -0.468 20 0 GBADLO CO[C@H]1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)C1 ZINC000821697674 606519225 /nfs/dbraw/zinc/51/92/25/606519225.db2.gz LUALUORVBVELCY-LBPRGKRZSA-N 1 2 376.421 -0.468 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCCCS(N)(=O)=O)CC1 ZINC000821730989 638002958 /nfs/dbraw/zinc/00/29/58/638002958.db2.gz CVKYBIRCJGNYGS-UHFFFAOYSA-N 1 2 376.523 -0.104 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCCCS(N)(=O)=O)CC1 ZINC000821730989 638002951 /nfs/dbraw/zinc/00/29/51/638002951.db2.gz CVKYBIRCJGNYGS-UHFFFAOYSA-N 1 2 376.523 -0.104 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000821755924 606609859 /nfs/dbraw/zinc/60/98/59/606609859.db2.gz KDGXQZDUODVBPM-LLVKDONJSA-N 1 2 389.416 -0.661 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000821755926 606609984 /nfs/dbraw/zinc/60/99/84/606609984.db2.gz KDGXQZDUODVBPM-NSHDSACASA-N 1 2 389.416 -0.661 20 0 GBADLO C[S@@](=O)CC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000821943177 607326533 /nfs/dbraw/zinc/32/65/33/607326533.db2.gz TZJXWWALJVYIOQ-RUZDIDTESA-N 1 2 399.502 -0.985 20 0 GBADLO C[S@](=O)CC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000821943179 607326627 /nfs/dbraw/zinc/32/66/27/607326627.db2.gz TZJXWWALJVYIOQ-VWLOTQADSA-N 1 2 399.502 -0.985 20 0 GBADLO C[S@@](=O)CC[NH+]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821943562 606083658 /nfs/dbraw/zinc/08/36/58/606083658.db2.gz WPHQXLVWLNUNRR-KUNJGFBQSA-N 1 2 394.501 -0.398 20 0 GBADLO C[S@](=O)CC[NH+]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821943563 606083602 /nfs/dbraw/zinc/08/36/02/606083602.db2.gz WPHQXLVWLNUNRR-QZXCRCNTSA-N 1 2 394.501 -0.398 20 0 GBADLO C[S@](=O)CC[NH+]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821943565 606082293 /nfs/dbraw/zinc/08/22/93/606082293.db2.gz WPHQXLVWLNUNRR-RXAIFQJESA-N 1 2 394.501 -0.398 20 0 GBADLO C[S@@](=O)CC[NH+]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821943568 606082986 /nfs/dbraw/zinc/08/29/86/606082986.db2.gz WPHQXLVWLNUNRR-YVORESIASA-N 1 2 394.501 -0.398 20 0 GBADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822010122 607053308 /nfs/dbraw/zinc/05/33/08/607053308.db2.gz ONMSSEGZOXMIEC-JTQLQIEISA-N 1 2 390.429 -0.119 20 0 GBADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822010123 607053589 /nfs/dbraw/zinc/05/35/89/607053589.db2.gz ONMSSEGZOXMIEC-SNVBAGLBSA-N 1 2 390.429 -0.119 20 0 GBADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822010345 607053362 /nfs/dbraw/zinc/05/33/62/607053362.db2.gz YWDCGTQUGBKPJJ-JTQLQIEISA-N 1 2 390.429 -0.119 20 0 GBADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822010346 607053376 /nfs/dbraw/zinc/05/33/76/607053376.db2.gz YWDCGTQUGBKPJJ-SNVBAGLBSA-N 1 2 390.429 -0.119 20 0 GBADLO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000822150009 638004264 /nfs/dbraw/zinc/00/42/64/638004264.db2.gz AWVMRTFYTXFNKU-NSHDSACASA-N 1 2 385.408 -0.225 20 0 GBADLO Cc1cc(N2CCC(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)nc(C)[nH+]1 ZINC000822205877 607221503 /nfs/dbraw/zinc/22/15/03/607221503.db2.gz LSIZACLJZQSTIK-UHFFFAOYSA-N 1 2 383.420 -0.350 20 0 GBADLO Cc1cc(N2CC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)n(C)n1 ZINC000822206923 599385617 /nfs/dbraw/zinc/38/56/17/599385617.db2.gz DCGICQQCKRZHDH-DZGCQCFKSA-N 1 2 395.427 -0.170 20 0 GBADLO Cc1cc(N2CC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)n(C)n1 ZINC000822206924 599385251 /nfs/dbraw/zinc/38/52/51/599385251.db2.gz DCGICQQCKRZHDH-HIFRSBDPSA-N 1 2 395.427 -0.170 20 0 GBADLO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)n(C)n1 ZINC000822206925 599385813 /nfs/dbraw/zinc/38/58/13/599385813.db2.gz DCGICQQCKRZHDH-UKRRQHHQSA-N 1 2 395.427 -0.170 20 0 GBADLO Cc1cc(N2CC[C@H]([NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)n(C)n1 ZINC000822206926 599385218 /nfs/dbraw/zinc/38/52/18/599385218.db2.gz DCGICQQCKRZHDH-ZFWWWQNUSA-N 1 2 395.427 -0.170 20 0 GBADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000822335741 607174118 /nfs/dbraw/zinc/17/41/18/607174118.db2.gz LIJBNLBYIBYPKW-LLVKDONJSA-N 1 2 378.396 -0.130 20 0 GBADLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000822335744 607174042 /nfs/dbraw/zinc/17/40/42/607174042.db2.gz LIJBNLBYIBYPKW-NSHDSACASA-N 1 2 378.396 -0.130 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[NH+]3CCC(C)(O)CC3)CC2)o1 ZINC000822423527 607124171 /nfs/dbraw/zinc/12/41/71/607124171.db2.gz LOLAQNJNBBXGDX-UHFFFAOYSA-N 1 2 390.448 -0.341 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)CC[C@@H](C)O)CC2)o1 ZINC000822424241 599640611 /nfs/dbraw/zinc/64/06/11/599640611.db2.gz UVPBPDMRBOUBAO-LLVKDONJSA-N 1 2 378.437 -0.486 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)CC[C@@H](C)O)CC2)o1 ZINC000822424241 599640610 /nfs/dbraw/zinc/64/06/10/599640610.db2.gz UVPBPDMRBOUBAO-LLVKDONJSA-N 1 2 378.437 -0.486 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)CC[C@H](C)O)CC2)o1 ZINC000822424245 599640537 /nfs/dbraw/zinc/64/05/37/599640537.db2.gz UVPBPDMRBOUBAO-NSHDSACASA-N 1 2 378.437 -0.486 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)CC[C@H](C)O)CC2)o1 ZINC000822424245 599640536 /nfs/dbraw/zinc/64/05/36/599640536.db2.gz UVPBPDMRBOUBAO-NSHDSACASA-N 1 2 378.437 -0.486 20 0 GBADLO CCCCC[C@H](O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000822461532 638004983 /nfs/dbraw/zinc/00/49/83/638004983.db2.gz YMSZSZQBKVLPNO-HNNXBMFYSA-N 1 2 376.523 -0.436 20 0 GBADLO CCCCC[C@@H](O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000822461533 638004740 /nfs/dbraw/zinc/00/47/40/638004740.db2.gz YMSZSZQBKVLPNO-OAHLLOKOSA-N 1 2 376.523 -0.436 20 0 GBADLO Cc1oc(NC(=O)CN(C)C[C@@H](O)C[NH+]2CCOCC2)c(-c2nn[nH]n2)c1C ZINC000822540486 606336208 /nfs/dbraw/zinc/33/62/08/606336208.db2.gz BOZNPABZPFYDIA-CYBMUJFWSA-N 1 2 393.448 -0.360 20 0 GBADLO Cc1oc(NC(=O)CN(C)C[C@H](O)C[NH+]2CCOCC2)c(-c2nn[nH]n2)c1C ZINC000822540487 606336489 /nfs/dbraw/zinc/33/64/89/606336489.db2.gz BOZNPABZPFYDIA-ZDUSSCGKSA-N 1 2 393.448 -0.360 20 0 GBADLO Cn1c(=O)[nH]cc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1=O ZINC000822590244 606361309 /nfs/dbraw/zinc/36/13/09/606361309.db2.gz KCZSYPWDTVYLRG-UHFFFAOYSA-N 1 2 396.411 -0.376 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(C)c1=O ZINC000822601324 607471492 /nfs/dbraw/zinc/47/14/92/607471492.db2.gz XSJSVQVVWJBWPF-AAEUAGOBSA-N 1 2 386.460 -0.283 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n(C)c1=O ZINC000822601324 607471489 /nfs/dbraw/zinc/47/14/89/607471489.db2.gz XSJSVQVVWJBWPF-AAEUAGOBSA-N 1 2 386.460 -0.283 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(C)c1=O ZINC000822601327 607471965 /nfs/dbraw/zinc/47/19/65/607471965.db2.gz XSJSVQVVWJBWPF-DGCLKSJQSA-N 1 2 386.460 -0.283 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n(C)c1=O ZINC000822601327 607471963 /nfs/dbraw/zinc/47/19/63/607471963.db2.gz XSJSVQVVWJBWPF-DGCLKSJQSA-N 1 2 386.460 -0.283 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(C)c1=O ZINC000822601330 607471540 /nfs/dbraw/zinc/47/15/40/607471540.db2.gz XSJSVQVVWJBWPF-WCQYABFASA-N 1 2 386.460 -0.283 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n(C)c1=O ZINC000822601330 607471539 /nfs/dbraw/zinc/47/15/39/607471539.db2.gz XSJSVQVVWJBWPF-WCQYABFASA-N 1 2 386.460 -0.283 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(C)c1=O ZINC000822601333 607471874 /nfs/dbraw/zinc/47/18/74/607471874.db2.gz XSJSVQVVWJBWPF-YPMHNXCESA-N 1 2 386.460 -0.283 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n(C)c1=O ZINC000822601333 607471872 /nfs/dbraw/zinc/47/18/72/607471872.db2.gz XSJSVQVVWJBWPF-YPMHNXCESA-N 1 2 386.460 -0.283 20 0 GBADLO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000822614257 606156233 /nfs/dbraw/zinc/15/62/33/606156233.db2.gz KPZVSKDFYUAPPR-UHFFFAOYSA-N 1 2 397.465 -0.769 20 0 GBADLO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000822614622 606157586 /nfs/dbraw/zinc/15/75/86/606157586.db2.gz OXQFYJKFMFZPNE-HNNXBMFYSA-N 1 2 393.477 -0.070 20 0 GBADLO Cn1cc(-c2nn[nH]n2)c(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000822614631 606157709 /nfs/dbraw/zinc/15/77/09/606157709.db2.gz OXQFYJKFMFZPNE-OAHLLOKOSA-N 1 2 393.477 -0.070 20 0 GBADLO Cn1cc(-c2nn[nH]n2)c(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000822619800 946140986 /nfs/dbraw/zinc/14/09/86/946140986.db2.gz GBHCKJSQXCNXAM-UHFFFAOYSA-N 1 2 387.408 -0.227 20 0 GBADLO Cn1cc(-c2nn[nH]n2)cc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000822628547 606284610 /nfs/dbraw/zinc/28/46/10/606284610.db2.gz ZPSAMZNFEOGYPT-UHFFFAOYSA-N 1 2 386.460 -0.025 20 0 GBADLO Cn1cc(-c2nn[nH]n2)cc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000822628547 606284609 /nfs/dbraw/zinc/28/46/09/606284609.db2.gz ZPSAMZNFEOGYPT-UHFFFAOYSA-N 1 2 386.460 -0.025 20 0 GBADLO Cn1cc(-c2nn[nH]n2)cc1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000822631618 606277656 /nfs/dbraw/zinc/27/76/56/606277656.db2.gz BJWMNGSOTQYUDO-UHFFFAOYSA-N 1 2 393.415 -0.156 20 0 GBADLO Cn1cc(-c2nn[nH]n2)cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000822636461 606289622 /nfs/dbraw/zinc/28/96/22/606289622.db2.gz FFFIEZWFXOFAGF-UHFFFAOYSA-N 1 2 381.462 -0.556 20 0 GBADLO Cn1cc(-c2nn[nH]n2)cc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000822641617 606282170 /nfs/dbraw/zinc/28/21/70/606282170.db2.gz TYZLQBONNXKYLC-UHFFFAOYSA-N 1 2 382.432 -0.453 20 0 GBADLO Cn1cc(N2CCC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000822680489 599381515 /nfs/dbraw/zinc/38/15/15/599381515.db2.gz PAXYMVMBXUPECA-CABCVRRESA-N 1 2 395.427 -0.088 20 0 GBADLO Cn1cc(N2CCC[C@H]([NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000822680494 599381100 /nfs/dbraw/zinc/38/11/00/599381100.db2.gz PAXYMVMBXUPECA-GJZGRUSLSA-N 1 2 395.427 -0.088 20 0 GBADLO Cn1cc(N2CCC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000822680497 599381430 /nfs/dbraw/zinc/38/14/30/599381430.db2.gz PAXYMVMBXUPECA-HUUCEWRRSA-N 1 2 395.427 -0.088 20 0 GBADLO Cn1cc(N2CCC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000822680498 599381441 /nfs/dbraw/zinc/38/14/41/599381441.db2.gz PAXYMVMBXUPECA-LSDHHAIUSA-N 1 2 395.427 -0.088 20 0 GBADLO Cn1ccc(N2CCC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)n1 ZINC000822690112 599383944 /nfs/dbraw/zinc/38/39/44/599383944.db2.gz SLUJRULYTNWGBW-DZGCQCFKSA-N 1 2 395.427 -0.088 20 0 GBADLO Cn1ccc(N2CCC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)n1 ZINC000822690114 599383555 /nfs/dbraw/zinc/38/35/55/599383555.db2.gz SLUJRULYTNWGBW-HIFRSBDPSA-N 1 2 395.427 -0.088 20 0 GBADLO Cn1ccc(N2CCC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)n1 ZINC000822690117 599384013 /nfs/dbraw/zinc/38/40/13/599384013.db2.gz SLUJRULYTNWGBW-UKRRQHHQSA-N 1 2 395.427 -0.088 20 0 GBADLO Cn1ccc(N2CCC[C@H]([NH2+][C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2=O)n1 ZINC000822690119 599384025 /nfs/dbraw/zinc/38/40/25/599384025.db2.gz SLUJRULYTNWGBW-ZFWWWQNUSA-N 1 2 395.427 -0.088 20 0 GBADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000822704437 599103877 /nfs/dbraw/zinc/10/38/77/599103877.db2.gz LABHRTQNLSBMDH-UHFFFAOYSA-N 1 2 380.412 -0.365 20 0 GBADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1cccc(-c3nn[nH]n3)c1)CC2 ZINC000822704437 599103875 /nfs/dbraw/zinc/10/38/75/599103875.db2.gz LABHRTQNLSBMDH-UHFFFAOYSA-N 1 2 380.412 -0.365 20 0 GBADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000822704920 599103691 /nfs/dbraw/zinc/10/36/91/599103691.db2.gz QYPSFQCOPPCIQG-UHFFFAOYSA-N 1 2 380.412 -0.365 20 0 GBADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000822704920 599103689 /nfs/dbraw/zinc/10/36/89/599103689.db2.gz QYPSFQCOPPCIQG-UHFFFAOYSA-N 1 2 380.412 -0.365 20 0 GBADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822705191 606941212 /nfs/dbraw/zinc/94/12/12/606941212.db2.gz ZJGWSFQGXGUAPD-CYBMUJFWSA-N 1 2 378.414 -0.045 20 0 GBADLO Cn1c[nH+]cc1CS(=O)(=O)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822705192 606940968 /nfs/dbraw/zinc/94/09/68/606940968.db2.gz ZJGWSFQGXGUAPD-ZDUSSCGKSA-N 1 2 378.414 -0.045 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC000822709552 606251568 /nfs/dbraw/zinc/25/15/68/606251568.db2.gz NPIRBMLRFPEFQV-UHFFFAOYSA-N 1 2 379.388 -0.166 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCN(CCS(N)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000822755379 638006211 /nfs/dbraw/zinc/00/62/11/638006211.db2.gz GTDQVMWTJJMRQX-CYBMUJFWSA-N 1 2 380.511 -0.880 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCN(CCS(N)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000822755380 638006083 /nfs/dbraw/zinc/00/60/83/638006083.db2.gz GTDQVMWTJJMRQX-ZDUSSCGKSA-N 1 2 380.511 -0.880 20 0 GBADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000822859621 607209986 /nfs/dbraw/zinc/20/99/86/607209986.db2.gz HOZQFCGROJJMDL-CYBMUJFWSA-N 1 2 396.415 -0.453 20 0 GBADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000822859621 607209985 /nfs/dbraw/zinc/20/99/85/607209985.db2.gz HOZQFCGROJJMDL-CYBMUJFWSA-N 1 2 396.415 -0.453 20 0 GBADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000822859626 607209779 /nfs/dbraw/zinc/20/97/79/607209779.db2.gz HOZQFCGROJJMDL-ZDUSSCGKSA-N 1 2 396.415 -0.453 20 0 GBADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000822859626 607209778 /nfs/dbraw/zinc/20/97/78/607209778.db2.gz HOZQFCGROJJMDL-ZDUSSCGKSA-N 1 2 396.415 -0.453 20 0 GBADLO NC(=O)c1nccnc1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822889701 599696091 /nfs/dbraw/zinc/69/60/91/599696091.db2.gz BUMIZAVEQGUKON-UHFFFAOYSA-N 1 2 393.411 -0.286 20 0 GBADLO NS(=O)(=O)CCN1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822894822 606090256 /nfs/dbraw/zinc/09/02/56/606090256.db2.gz HEQKSFVIORGUFF-UHFFFAOYSA-N 1 2 381.462 -0.848 20 0 GBADLO NS(=O)(=O)CCN1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822895357 606090275 /nfs/dbraw/zinc/09/02/75/606090275.db2.gz PMOCXBFDYOPLFK-UHFFFAOYSA-N 1 2 381.462 -0.848 20 0 GBADLO NS(=O)(=O)CC[NH+]1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000822895823 599088967 /nfs/dbraw/zinc/08/89/67/599088967.db2.gz YKUYHFSFRVBEPV-UHFFFAOYSA-N 1 2 389.445 -0.780 20 0 GBADLO Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000822899635 606437728 /nfs/dbraw/zinc/43/77/28/606437728.db2.gz MNFUHRAZEGDLMD-UHFFFAOYSA-N 1 2 383.416 -0.615 20 0 GBADLO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822902395 599696117 /nfs/dbraw/zinc/69/61/17/599696117.db2.gz ASSAIDBOZGHBMF-UHFFFAOYSA-N 1 2 397.399 -0.392 20 0 GBADLO Nc1c(-c2nn[nH]n2)cnn1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000822904170 607147261 /nfs/dbraw/zinc/14/72/61/607147261.db2.gz TVYHBNGREVMBPG-UHFFFAOYSA-N 1 2 396.415 -0.190 20 0 GBADLO O=C(C[N@@H+](CCO)CCN1CCOCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822991404 606395865 /nfs/dbraw/zinc/39/58/65/606395865.db2.gz BOPYCNHNLFWPDV-UHFFFAOYSA-N 1 2 375.433 -0.568 20 0 GBADLO O=C(C[N@H+](CCO)CCN1CCOCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822991404 606395864 /nfs/dbraw/zinc/39/58/64/606395864.db2.gz BOPYCNHNLFWPDV-UHFFFAOYSA-N 1 2 375.433 -0.568 20 0 GBADLO O=C(C[N@@H+](CCO)CCN1CCOCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822992219 606656242 /nfs/dbraw/zinc/65/62/42/606656242.db2.gz KPHKKOHYQCXRAH-UHFFFAOYSA-N 1 2 389.460 -0.891 20 0 GBADLO O=C(C[N@H+](CCO)CCN1CCOCC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822992219 606656241 /nfs/dbraw/zinc/65/62/41/606656241.db2.gz KPHKKOHYQCXRAH-UHFFFAOYSA-N 1 2 389.460 -0.891 20 0 GBADLO O=C(C[N@@H+](CCO)CCN1CCOCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822992856 606656202 /nfs/dbraw/zinc/65/62/02/606656202.db2.gz OEPQBRFDAGFDPL-UHFFFAOYSA-N 1 2 389.460 -0.891 20 0 GBADLO O=C(C[N@H+](CCO)CCN1CCOCC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822992856 606656201 /nfs/dbraw/zinc/65/62/01/606656201.db2.gz OEPQBRFDAGFDPL-UHFFFAOYSA-N 1 2 389.460 -0.891 20 0 GBADLO O=C(C[N@@H+](CCO)CCN1CCOCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822993143 606657049 /nfs/dbraw/zinc/65/70/49/606657049.db2.gz PENGKPLMFNVBPH-UHFFFAOYSA-N 1 2 375.433 -0.568 20 0 GBADLO O=C(C[N@H+](CCO)CCN1CCOCC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822993143 606657048 /nfs/dbraw/zinc/65/70/48/606657048.db2.gz PENGKPLMFNVBPH-UHFFFAOYSA-N 1 2 375.433 -0.568 20 0 GBADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000823001279 606508231 /nfs/dbraw/zinc/50/82/31/606508231.db2.gz KAKSDTYFJWRYPP-BETUJISGSA-N 1 2 384.400 -0.582 20 0 GBADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000823001279 606508229 /nfs/dbraw/zinc/50/82/29/606508229.db2.gz KAKSDTYFJWRYPP-BETUJISGSA-N 1 2 384.400 -0.582 20 0 GBADLO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000823065883 607296922 /nfs/dbraw/zinc/29/69/22/607296922.db2.gz DHKPTYNJMZTNQB-CYBMUJFWSA-N 1 2 378.458 -0.232 20 0 GBADLO O=C(CSc1ccc(-c2nn[nH]n2)cc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000823065889 607297075 /nfs/dbraw/zinc/29/70/75/607297075.db2.gz DHKPTYNJMZTNQB-ZDUSSCGKSA-N 1 2 378.458 -0.232 20 0 GBADLO O=C(Cc1cccc(-c2nn[nH]n2)c1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000823092691 606565540 /nfs/dbraw/zinc/56/55/40/606565540.db2.gz IBKXVHSWCZVUQP-INIZCTEOSA-N 1 2 399.455 -0.542 20 0 GBADLO O=C(Cc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000823092692 606565682 /nfs/dbraw/zinc/56/56/82/606565682.db2.gz IBKXVHSWCZVUQP-MRXNPFEDSA-N 1 2 399.455 -0.542 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000823123210 946324215 /nfs/dbraw/zinc/32/42/15/946324215.db2.gz SBOWCKUJYKODMU-UHFFFAOYSA-N 1 2 375.437 -0.581 20 0 GBADLO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823123276 606392254 /nfs/dbraw/zinc/39/22/54/606392254.db2.gz VUBHMPHQIYCIDP-UHFFFAOYSA-N 1 2 396.411 -0.527 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000823127280 607222647 /nfs/dbraw/zinc/22/26/47/607222647.db2.gz YVMQXOPAQYXPGA-UHFFFAOYSA-N 1 2 389.464 -0.143 20 0 GBADLO O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000823130995 946324825 /nfs/dbraw/zinc/32/48/25/946324825.db2.gz AVAVFWIERKDUHD-UHFFFAOYSA-N 1 2 397.447 -0.818 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000823131772 607209916 /nfs/dbraw/zinc/20/99/16/607209916.db2.gz NTODSOFCCVPUON-UHFFFAOYSA-N 1 2 383.416 -0.028 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000823131941 607206045 /nfs/dbraw/zinc/20/60/45/607206045.db2.gz RMGXRDHYQWCTPE-UHFFFAOYSA-N 1 2 396.459 -0.608 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000823145711 606572476 /nfs/dbraw/zinc/57/24/76/606572476.db2.gz SNBBSVSPMSOOKV-GFCCVEGCSA-N 1 2 391.457 -0.409 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(-c2nn[nH]n2)cs1 ZINC000823145720 606572269 /nfs/dbraw/zinc/57/22/69/606572269.db2.gz SNBBSVSPMSOOKV-LBPRGKRZSA-N 1 2 391.457 -0.409 20 0 GBADLO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000823161650 607324650 /nfs/dbraw/zinc/32/46/50/607324650.db2.gz PFZPOWXMXAJKOT-HNNXBMFYSA-N 1 2 385.428 -0.470 20 0 GBADLO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000823161657 607324682 /nfs/dbraw/zinc/32/46/82/607324682.db2.gz PFZPOWXMXAJKOT-OAHLLOKOSA-N 1 2 385.428 -0.470 20 0 GBADLO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000823162623 599490741 /nfs/dbraw/zinc/49/07/41/599490741.db2.gz YEZXQIRPXOZGJO-INIZCTEOSA-N 1 2 399.455 -0.080 20 0 GBADLO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000823162624 599490789 /nfs/dbraw/zinc/49/07/89/599490789.db2.gz YEZXQIRPXOZGJO-MRXNPFEDSA-N 1 2 399.455 -0.080 20 0 GBADLO O=C1C(=O)N(Cc2cccc(-c3nn[nH]n3)c2)C(=O)N1CCC[NH+]1CCOCC1 ZINC000823503347 606872956 /nfs/dbraw/zinc/87/29/56/606872956.db2.gz DCMDFTMOEAGNKT-UHFFFAOYSA-N 1 2 399.411 -0.120 20 0 GBADLO O=C1C(=O)N(Cc2ccccc2-c2nn[nH]n2)C(=O)N1CCC[NH+]1CCOCC1 ZINC000823503549 606869064 /nfs/dbraw/zinc/86/90/64/606869064.db2.gz GUWOCIVXQBXKRP-UHFFFAOYSA-N 1 2 399.411 -0.120 20 0 GBADLO O=C1C(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(=O)N1CCC[NH+]1CCOCC1 ZINC000823504850 606869013 /nfs/dbraw/zinc/86/90/13/606869013.db2.gz VJISLTGIEXAZRS-UHFFFAOYSA-N 1 2 399.411 -0.120 20 0 GBADLO O=C1NC(=O)[C@]2(CC[N@H+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)N1 ZINC000823540674 606331860 /nfs/dbraw/zinc/33/18/60/606331860.db2.gz JNDIRNAWKPSBIO-BJOHPYRUSA-N 1 2 388.413 -0.683 20 0 GBADLO O=C1NC(=O)[C@]2(CC[N@@H+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)N1 ZINC000823540674 606331859 /nfs/dbraw/zinc/33/18/59/606331859.db2.gz JNDIRNAWKPSBIO-BJOHPYRUSA-N 1 2 388.413 -0.683 20 0 GBADLO O=C1NC(=O)[C@@]2(CC[N@H+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)N1 ZINC000823540675 606331906 /nfs/dbraw/zinc/33/19/06/606331906.db2.gz JNDIRNAWKPSBIO-PSLIRLAXSA-N 1 2 388.413 -0.683 20 0 GBADLO O=C1NC(=O)[C@@]2(CC[N@@H+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)N1 ZINC000823540675 606331905 /nfs/dbraw/zinc/33/19/05/606331905.db2.gz JNDIRNAWKPSBIO-PSLIRLAXSA-N 1 2 388.413 -0.683 20 0 GBADLO O=C1NC(=O)[C@]2(CC[N@H+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)N1 ZINC000823540676 606331827 /nfs/dbraw/zinc/33/18/27/606331827.db2.gz JNDIRNAWKPSBIO-RFAUZJTJSA-N 1 2 388.413 -0.683 20 0 GBADLO O=C1NC(=O)[C@]2(CC[N@@H+]([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)N1 ZINC000823540676 606331826 /nfs/dbraw/zinc/33/18/26/606331826.db2.gz JNDIRNAWKPSBIO-RFAUZJTJSA-N 1 2 388.413 -0.683 20 0 GBADLO O=C1NC(=O)[C@@]2(CC[N@H+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)N1 ZINC000823540677 606331886 /nfs/dbraw/zinc/33/18/86/606331886.db2.gz JNDIRNAWKPSBIO-VFZGTOFNSA-N 1 2 388.413 -0.683 20 0 GBADLO O=C1NC(=O)[C@@]2(CC[N@@H+]([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)N1 ZINC000823540677 606331885 /nfs/dbraw/zinc/33/18/85/606331885.db2.gz JNDIRNAWKPSBIO-VFZGTOFNSA-N 1 2 388.413 -0.683 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000823600088 599359617 /nfs/dbraw/zinc/35/96/17/599359617.db2.gz CMYXSSQSOHPJRZ-GFCCVEGCSA-N 1 2 379.446 -0.396 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000823600089 599359372 /nfs/dbraw/zinc/35/93/72/599359372.db2.gz CMYXSSQSOHPJRZ-LBPRGKRZSA-N 1 2 379.446 -0.396 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000823600096 606639914 /nfs/dbraw/zinc/63/99/14/606639914.db2.gz CYKUALIGMLKNOP-GFCCVEGCSA-N 1 2 379.446 -0.396 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000823600098 606639895 /nfs/dbraw/zinc/63/98/95/606639895.db2.gz CYKUALIGMLKNOP-LBPRGKRZSA-N 1 2 379.446 -0.396 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000823600346 606146982 /nfs/dbraw/zinc/14/69/82/606146982.db2.gz GKPJMDPEBOWXMR-UHFFFAOYSA-N 1 2 379.446 -0.253 20 0 GBADLO O=S1(=O)CCCN1CC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000823614771 607508517 /nfs/dbraw/zinc/50/85/17/607508517.db2.gz SKBYWPDLQZLUEF-UHFFFAOYSA-N 1 2 378.462 -0.581 20 0 GBADLO O=S1(=O)CCC(O)(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000823614808 607213972 /nfs/dbraw/zinc/21/39/72/607213972.db2.gz SZBWDYZPGXLICG-UHFFFAOYSA-N 1 2 392.485 -0.072 20 0 GBADLO OCCCCN1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823717692 606089829 /nfs/dbraw/zinc/08/98/29/606089829.db2.gz JINNCCNHVGSXMM-INIZCTEOSA-N 1 2 376.461 -0.004 20 0 GBADLO OCCCCN1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823717693 606089901 /nfs/dbraw/zinc/08/99/01/606089901.db2.gz JINNCCNHVGSXMM-MRXNPFEDSA-N 1 2 376.461 -0.004 20 0 GBADLO CC(C)(C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCN(C(=O)[O-])CC1 ZINC000823743663 603736072 /nfs/dbraw/zinc/73/60/72/603736072.db2.gz NWUOULWNPCJTLU-AWEZNQCLSA-N 1 2 383.493 -0.236 20 0 GBADLO CC(C)(C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCN(C(=O)[O-])CC1 ZINC000823743663 603736068 /nfs/dbraw/zinc/73/60/68/603736068.db2.gz NWUOULWNPCJTLU-AWEZNQCLSA-N 1 2 383.493 -0.236 20 0 GBADLO CC(C)(C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(C(=O)[O-])CC1 ZINC000823743664 603736985 /nfs/dbraw/zinc/73/69/85/603736985.db2.gz NWUOULWNPCJTLU-CQSZACIVSA-N 1 2 383.493 -0.236 20 0 GBADLO CC(C)(C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(C(=O)[O-])CC1 ZINC000823743664 603736983 /nfs/dbraw/zinc/73/69/83/603736983.db2.gz NWUOULWNPCJTLU-CQSZACIVSA-N 1 2 383.493 -0.236 20 0 GBADLO CC(=O)N1CCOC[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823981963 946532925 /nfs/dbraw/zinc/53/29/25/946532925.db2.gz URJZSKAKWSEQSO-KRWDZBQOSA-N 1 2 399.455 -0.242 20 0 GBADLO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823981964 946533625 /nfs/dbraw/zinc/53/36/25/946533625.db2.gz URJZSKAKWSEQSO-QGZVFWFLSA-N 1 2 399.455 -0.242 20 0 GBADLO C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC000824039771 608554689 /nfs/dbraw/zinc/55/46/89/608554689.db2.gz HKNSYUOAXKNNBS-LLVKDONJSA-N 1 2 376.469 -0.801 20 0 GBADLO C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)N1CC[NH+](C)CC1 ZINC000824039772 608554647 /nfs/dbraw/zinc/55/46/47/608554647.db2.gz HKNSYUOAXKNNBS-NSHDSACASA-N 1 2 376.469 -0.801 20 0 GBADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000824172284 607971069 /nfs/dbraw/zinc/97/10/69/607971069.db2.gz JOANPUZDXDOTFQ-AWEZNQCLSA-N 1 2 390.444 -0.167 20 0 GBADLO CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000824172285 607971057 /nfs/dbraw/zinc/97/10/57/607971057.db2.gz JOANPUZDXDOTFQ-CQSZACIVSA-N 1 2 390.444 -0.167 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824420058 609298666 /nfs/dbraw/zinc/29/86/66/609298666.db2.gz FNFGQTQSXBPAII-LLVKDONJSA-N 1 2 392.468 -0.533 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824420060 609298615 /nfs/dbraw/zinc/29/86/15/609298615.db2.gz FNFGQTQSXBPAII-NSHDSACASA-N 1 2 392.468 -0.533 20 0 GBADLO C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@H]1C[N@@H+](C)CCO1 ZINC000824491656 609309253 /nfs/dbraw/zinc/30/92/53/609309253.db2.gz WGNYIFXKNZLZOD-CMPLNLGQSA-N 1 2 392.468 -0.535 20 0 GBADLO C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@H]1C[N@H+](C)CCO1 ZINC000824491656 609309252 /nfs/dbraw/zinc/30/92/52/609309252.db2.gz WGNYIFXKNZLZOD-CMPLNLGQSA-N 1 2 392.468 -0.535 20 0 GBADLO C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000824491659 609309356 /nfs/dbraw/zinc/30/93/56/609309356.db2.gz WGNYIFXKNZLZOD-JQWIXIFHSA-N 1 2 392.468 -0.535 20 0 GBADLO C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@@H]1C[N@H+](C)CCO1 ZINC000824491659 609309355 /nfs/dbraw/zinc/30/93/55/609309355.db2.gz WGNYIFXKNZLZOD-JQWIXIFHSA-N 1 2 392.468 -0.535 20 0 GBADLO C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000824491661 609309176 /nfs/dbraw/zinc/30/91/76/609309176.db2.gz WGNYIFXKNZLZOD-PWSUYJOCSA-N 1 2 392.468 -0.535 20 0 GBADLO C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@@H]1C[N@H+](C)CCO1 ZINC000824491661 609309175 /nfs/dbraw/zinc/30/91/75/609309175.db2.gz WGNYIFXKNZLZOD-PWSUYJOCSA-N 1 2 392.468 -0.535 20 0 GBADLO C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@H]1C[N@@H+](C)CCO1 ZINC000824491664 609309608 /nfs/dbraw/zinc/30/96/08/609309608.db2.gz WGNYIFXKNZLZOD-ZYHUDNBSSA-N 1 2 392.468 -0.535 20 0 GBADLO C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@H]1C[N@H+](C)CCO1 ZINC000824491664 609309606 /nfs/dbraw/zinc/30/96/06/609309606.db2.gz WGNYIFXKNZLZOD-ZYHUDNBSSA-N 1 2 392.468 -0.535 20 0 GBADLO C[C@@H](CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)NC(=O)[O-] ZINC000824552775 602871813 /nfs/dbraw/zinc/87/18/13/602871813.db2.gz RQCIYDJONKYWMZ-AWEZNQCLSA-N 1 2 383.493 -0.271 20 0 GBADLO C[C@H](CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)NC(=O)[O-] ZINC000824552776 602871996 /nfs/dbraw/zinc/87/19/96/602871996.db2.gz RQCIYDJONKYWMZ-CQSZACIVSA-N 1 2 383.493 -0.271 20 0 GBADLO C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824626649 608466907 /nfs/dbraw/zinc/46/69/07/608466907.db2.gz QJWPDMHOKIJTJM-SECBINFHSA-N 1 2 381.400 -0.009 20 0 GBADLO C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824626650 608467142 /nfs/dbraw/zinc/46/71/42/608467142.db2.gz QJWPDMHOKIJTJM-VIFPVBQESA-N 1 2 381.400 -0.009 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000824633386 608254668 /nfs/dbraw/zinc/25/46/68/608254668.db2.gz MCEYONHUYWCYHA-LLVKDONJSA-N 1 2 391.413 -0.027 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000824633387 608254497 /nfs/dbraw/zinc/25/44/97/608254497.db2.gz MCEYONHUYWCYHA-NSHDSACASA-N 1 2 391.413 -0.027 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OCCn1cc[nH+]c1 ZINC000824640927 608254199 /nfs/dbraw/zinc/25/41/99/608254199.db2.gz QAERKMKKLHKQOW-LLVKDONJSA-N 1 2 391.413 -0.027 20 0 GBADLO C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OCCn1cc[nH+]c1 ZINC000824640928 608254213 /nfs/dbraw/zinc/25/42/13/608254213.db2.gz QAERKMKKLHKQOW-NSHDSACASA-N 1 2 391.413 -0.027 20 0 GBADLO C[C@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000824677778 608257245 /nfs/dbraw/zinc/25/72/45/608257245.db2.gz HPMODVYMTJXHJK-JTQLQIEISA-N 1 2 379.446 -0.218 20 0 GBADLO C[C@@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000824677781 608257264 /nfs/dbraw/zinc/25/72/64/608257264.db2.gz HPMODVYMTJXHJK-SNVBAGLBSA-N 1 2 379.446 -0.218 20 0 GBADLO C[C@H](O)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824677881 608256945 /nfs/dbraw/zinc/25/69/45/608256945.db2.gz IWOKVNWAIKAKDV-GXTWGEPZSA-N 1 2 376.417 -0.869 20 0 GBADLO C[C@H](O)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824677883 608257045 /nfs/dbraw/zinc/25/70/45/608257045.db2.gz IWOKVNWAIKAKDV-JSGCOSHPSA-N 1 2 376.417 -0.869 20 0 GBADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824677884 608257135 /nfs/dbraw/zinc/25/71/35/608257135.db2.gz IWOKVNWAIKAKDV-OCCSQVGLSA-N 1 2 376.417 -0.869 20 0 GBADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824677885 608256922 /nfs/dbraw/zinc/25/69/22/608256922.db2.gz IWOKVNWAIKAKDV-TZMCWYRMSA-N 1 2 376.417 -0.869 20 0 GBADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000824707590 608334899 /nfs/dbraw/zinc/33/48/99/608334899.db2.gz TWTSQWDWYWZDRA-LLVKDONJSA-N 1 2 384.437 -0.166 20 0 GBADLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000824707591 608334562 /nfs/dbraw/zinc/33/45/62/608334562.db2.gz TWTSQWDWYWZDRA-NSHDSACASA-N 1 2 384.437 -0.166 20 0 GBADLO C[C@@H](CNC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)C[NH+]1CCN(C)CC1 ZINC000824940026 604007603 /nfs/dbraw/zinc/00/76/03/604007603.db2.gz RUJNSDVKVDPZGP-INIZCTEOSA-N 1 2 384.525 -0.145 20 0 GBADLO C[C@H](CNC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)C[NH+]1CCN(C)CC1 ZINC000824940027 604007632 /nfs/dbraw/zinc/00/76/32/604007632.db2.gz RUJNSDVKVDPZGP-MRXNPFEDSA-N 1 2 384.525 -0.145 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000824967250 608362651 /nfs/dbraw/zinc/36/26/51/608362651.db2.gz ISVNVYZKTOZMNQ-DOMZBBRYSA-N 1 2 385.428 -0.016 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000824967251 608362586 /nfs/dbraw/zinc/36/25/86/608362586.db2.gz ISVNVYZKTOZMNQ-IUODEOHRSA-N 1 2 385.428 -0.016 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000824967252 608362391 /nfs/dbraw/zinc/36/23/91/608362391.db2.gz ISVNVYZKTOZMNQ-SWLSCSKDSA-N 1 2 385.428 -0.016 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000824967253 608362355 /nfs/dbraw/zinc/36/23/55/608362355.db2.gz ISVNVYZKTOZMNQ-WFASDCNBSA-N 1 2 385.428 -0.016 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000824968006 608362542 /nfs/dbraw/zinc/36/25/42/608362542.db2.gz ORZUZNVWCYLOQR-DOMZBBRYSA-N 1 2 385.428 -0.016 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000824968007 608362303 /nfs/dbraw/zinc/36/23/03/608362303.db2.gz ORZUZNVWCYLOQR-IUODEOHRSA-N 1 2 385.428 -0.016 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000824968008 608362722 /nfs/dbraw/zinc/36/27/22/608362722.db2.gz ORZUZNVWCYLOQR-SWLSCSKDSA-N 1 2 385.428 -0.016 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000824968009 608362664 /nfs/dbraw/zinc/36/26/64/608362664.db2.gz ORZUZNVWCYLOQR-WFASDCNBSA-N 1 2 385.428 -0.016 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CCO1 ZINC000824984299 609302159 /nfs/dbraw/zinc/30/21/59/609302159.db2.gz IHZAFFVTUPOXAW-LLVKDONJSA-N 1 2 392.468 -0.533 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CCO1 ZINC000824984299 609302157 /nfs/dbraw/zinc/30/21/57/609302157.db2.gz IHZAFFVTUPOXAW-LLVKDONJSA-N 1 2 392.468 -0.533 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CCO1 ZINC000824984301 609302311 /nfs/dbraw/zinc/30/23/11/609302311.db2.gz IHZAFFVTUPOXAW-NSHDSACASA-N 1 2 392.468 -0.533 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CCO1 ZINC000824984301 609302310 /nfs/dbraw/zinc/30/23/10/609302310.db2.gz IHZAFFVTUPOXAW-NSHDSACASA-N 1 2 392.468 -0.533 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCCOC(=O)NC(N)=O ZINC000825000845 608258329 /nfs/dbraw/zinc/25/83/29/608258329.db2.gz VSGSQAABEQFUKS-JTQLQIEISA-N 1 2 390.408 -0.638 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCOC(=O)NC(N)=O ZINC000825000845 608258327 /nfs/dbraw/zinc/25/83/27/608258327.db2.gz VSGSQAABEQFUKS-JTQLQIEISA-N 1 2 390.408 -0.638 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCCOC(=O)NC(N)=O ZINC000825000881 608258117 /nfs/dbraw/zinc/25/81/17/608258117.db2.gz VSGSQAABEQFUKS-SNVBAGLBSA-N 1 2 390.408 -0.638 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCCOC(=O)NC(N)=O ZINC000825000881 608258116 /nfs/dbraw/zinc/25/81/16/608258116.db2.gz VSGSQAABEQFUKS-SNVBAGLBSA-N 1 2 390.408 -0.638 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000825001046 608032536 /nfs/dbraw/zinc/03/25/36/608032536.db2.gz WQQCVOMWHKEPOL-CHWSQXEVSA-N 1 2 392.489 -0.008 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000825001046 608032535 /nfs/dbraw/zinc/03/25/35/608032535.db2.gz WQQCVOMWHKEPOL-CHWSQXEVSA-N 1 2 392.489 -0.008 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000825001049 608032787 /nfs/dbraw/zinc/03/27/87/608032787.db2.gz WQQCVOMWHKEPOL-OLZOCXBDSA-N 1 2 392.489 -0.008 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000825001049 608032786 /nfs/dbraw/zinc/03/27/86/608032786.db2.gz WQQCVOMWHKEPOL-OLZOCXBDSA-N 1 2 392.489 -0.008 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000825001051 608032560 /nfs/dbraw/zinc/03/25/60/608032560.db2.gz WQQCVOMWHKEPOL-QWHCGFSZSA-N 1 2 392.489 -0.008 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000825001051 608032559 /nfs/dbraw/zinc/03/25/59/608032559.db2.gz WQQCVOMWHKEPOL-QWHCGFSZSA-N 1 2 392.489 -0.008 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000825001054 608032741 /nfs/dbraw/zinc/03/27/41/608032741.db2.gz WQQCVOMWHKEPOL-STQMWFEESA-N 1 2 392.489 -0.008 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000825001054 608032740 /nfs/dbraw/zinc/03/27/40/608032740.db2.gz WQQCVOMWHKEPOL-STQMWFEESA-N 1 2 392.489 -0.008 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCN1CCCS1(=O)=O ZINC000825001267 607640554 /nfs/dbraw/zinc/64/05/54/607640554.db2.gz YFVXCRRUOHWTFZ-GFCCVEGCSA-N 1 2 393.477 -0.797 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000825001267 607640553 /nfs/dbraw/zinc/64/05/53/607640553.db2.gz YFVXCRRUOHWTFZ-GFCCVEGCSA-N 1 2 393.477 -0.797 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCN1CCCS1(=O)=O ZINC000825001268 607640549 /nfs/dbraw/zinc/64/05/49/607640549.db2.gz YFVXCRRUOHWTFZ-LBPRGKRZSA-N 1 2 393.477 -0.797 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000825001268 607640548 /nfs/dbraw/zinc/64/05/48/607640548.db2.gz YFVXCRRUOHWTFZ-LBPRGKRZSA-N 1 2 393.477 -0.797 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC000825001269 608451026 /nfs/dbraw/zinc/45/10/26/608451026.db2.gz YJLGMGLELMMSNT-GFCCVEGCSA-N 1 2 392.489 -0.008 20 0 GBADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000825001269 608451025 /nfs/dbraw/zinc/45/10/25/608451025.db2.gz YJLGMGLELMMSNT-GFCCVEGCSA-N 1 2 392.489 -0.008 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC000825001270 608451317 /nfs/dbraw/zinc/45/13/17/608451317.db2.gz YJLGMGLELMMSNT-LBPRGKRZSA-N 1 2 392.489 -0.008 20 0 GBADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000825001270 608451315 /nfs/dbraw/zinc/45/13/15/608451315.db2.gz YJLGMGLELMMSNT-LBPRGKRZSA-N 1 2 392.489 -0.008 20 0 GBADLO CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@H+]1C[C@@H](C)O ZINC000825210408 607652047 /nfs/dbraw/zinc/65/20/47/607652047.db2.gz HAVMJNJJYXWCLD-NEPJUHHUSA-N 1 2 381.462 -0.273 20 0 GBADLO CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000825210408 607652044 /nfs/dbraw/zinc/65/20/44/607652044.db2.gz HAVMJNJJYXWCLD-NEPJUHHUSA-N 1 2 381.462 -0.273 20 0 GBADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@H+]1C[C@H](C)O ZINC000825210412 607652286 /nfs/dbraw/zinc/65/22/86/607652286.db2.gz HAVMJNJJYXWCLD-NWDGAFQWSA-N 1 2 381.462 -0.273 20 0 GBADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@@H+]1C[C@H](C)O ZINC000825210412 607652285 /nfs/dbraw/zinc/65/22/85/607652285.db2.gz HAVMJNJJYXWCLD-NWDGAFQWSA-N 1 2 381.462 -0.273 20 0 GBADLO CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@H+]1C[C@H](C)O ZINC000825210414 607652633 /nfs/dbraw/zinc/65/26/33/607652633.db2.gz HAVMJNJJYXWCLD-RYUDHWBXSA-N 1 2 381.462 -0.273 20 0 GBADLO CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@@H+]1C[C@H](C)O ZINC000825210414 607652632 /nfs/dbraw/zinc/65/26/32/607652632.db2.gz HAVMJNJJYXWCLD-RYUDHWBXSA-N 1 2 381.462 -0.273 20 0 GBADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@H+]1C[C@@H](C)O ZINC000825210416 607652150 /nfs/dbraw/zinc/65/21/50/607652150.db2.gz HAVMJNJJYXWCLD-VXGBXAGGSA-N 1 2 381.462 -0.273 20 0 GBADLO CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000825210416 607652148 /nfs/dbraw/zinc/65/21/48/607652148.db2.gz HAVMJNJJYXWCLD-VXGBXAGGSA-N 1 2 381.462 -0.273 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NC(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000825326834 947153332 /nfs/dbraw/zinc/15/33/32/947153332.db2.gz FEZVSKAKYMYBSU-UHFFFAOYSA-N 1 2 390.448 -0.188 20 0 GBADLO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCN1S(C)(=O)=O ZINC000825341000 638009791 /nfs/dbraw/zinc/00/97/91/638009791.db2.gz VNQWVIANIWHSSC-KFWWJZLASA-N 1 2 375.491 -0.642 20 0 GBADLO CC[NH+]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)CC1 ZINC000825460353 608340012 /nfs/dbraw/zinc/34/00/12/608340012.db2.gz UOUKYLNHDJOEJB-UHFFFAOYSA-N 1 2 375.437 -0.079 20 0 GBADLO CCN1CC[NH+](CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000825460401 608558915 /nfs/dbraw/zinc/55/89/15/608558915.db2.gz WBEBPKPNXWMTRU-UHFFFAOYSA-N 1 2 390.496 -0.409 20 0 GBADLO CC[N@H+]1CCO[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 ZINC000825465085 609301836 /nfs/dbraw/zinc/30/18/36/609301836.db2.gz HUWTWTVQKUJVDC-LLVKDONJSA-N 1 2 392.468 -0.533 20 0 GBADLO CC[N@@H+]1CCO[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 ZINC000825465085 609301834 /nfs/dbraw/zinc/30/18/34/609301834.db2.gz HUWTWTVQKUJVDC-LLVKDONJSA-N 1 2 392.468 -0.533 20 0 GBADLO CC[N@H+]1CCO[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 ZINC000825465086 609302394 /nfs/dbraw/zinc/30/23/94/609302394.db2.gz HUWTWTVQKUJVDC-NSHDSACASA-N 1 2 392.468 -0.533 20 0 GBADLO CC[N@@H+]1CCO[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 ZINC000825465086 609302392 /nfs/dbraw/zinc/30/23/92/609302392.db2.gz HUWTWTVQKUJVDC-NSHDSACASA-N 1 2 392.468 -0.533 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825470339 608218783 /nfs/dbraw/zinc/21/87/83/608218783.db2.gz BGAKGEKLPGEQEG-UHFFFAOYSA-N 1 2 387.448 -0.656 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825470339 608218781 /nfs/dbraw/zinc/21/87/81/608218781.db2.gz BGAKGEKLPGEQEG-UHFFFAOYSA-N 1 2 387.448 -0.656 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825470344 609195621 /nfs/dbraw/zinc/19/56/21/609195621.db2.gz BJNRAKLCXNCXCD-INIZCTEOSA-N 1 2 387.444 -0.430 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825470344 609195620 /nfs/dbraw/zinc/19/56/20/609195620.db2.gz BJNRAKLCXNCXCD-INIZCTEOSA-N 1 2 387.444 -0.430 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825470345 609195663 /nfs/dbraw/zinc/19/56/63/609195663.db2.gz BJNRAKLCXNCXCD-MRXNPFEDSA-N 1 2 387.444 -0.430 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825470345 609195662 /nfs/dbraw/zinc/19/56/62/609195662.db2.gz BJNRAKLCXNCXCD-MRXNPFEDSA-N 1 2 387.444 -0.430 20 0 GBADLO CCNC(=O)CN1CC[NH+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)CC1 ZINC000825470651 607920892 /nfs/dbraw/zinc/92/08/92/607920892.db2.gz GLAHPVIKBBGMLO-UHFFFAOYSA-N 1 2 387.444 -0.093 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000825471048 947197194 /nfs/dbraw/zinc/19/71/94/947197194.db2.gz MOBBQVSRQLGMQE-UHFFFAOYSA-N 1 2 376.421 -0.624 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000825471048 947197191 /nfs/dbraw/zinc/19/71/91/947197191.db2.gz MOBBQVSRQLGMQE-UHFFFAOYSA-N 1 2 376.421 -0.624 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000825471431 607640216 /nfs/dbraw/zinc/64/02/16/607640216.db2.gz UECKEURNLHDZHP-GHMZBOCLSA-N 1 2 388.436 -0.599 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000825471431 607640214 /nfs/dbraw/zinc/64/02/14/607640214.db2.gz UECKEURNLHDZHP-GHMZBOCLSA-N 1 2 388.436 -0.599 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000825471433 607640541 /nfs/dbraw/zinc/64/05/41/607640541.db2.gz UECKEURNLHDZHP-MNOVXSKESA-N 1 2 388.436 -0.599 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000825471433 607640540 /nfs/dbraw/zinc/64/05/40/607640540.db2.gz UECKEURNLHDZHP-MNOVXSKESA-N 1 2 388.436 -0.599 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000825471435 607640165 /nfs/dbraw/zinc/64/01/65/607640165.db2.gz UECKEURNLHDZHP-QWRGUYRKSA-N 1 2 388.436 -0.599 20 0 GBADLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000825471435 607640163 /nfs/dbraw/zinc/64/01/63/607640163.db2.gz UECKEURNLHDZHP-QWRGUYRKSA-N 1 2 388.436 -0.599 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000825471437 607640632 /nfs/dbraw/zinc/64/06/32/607640632.db2.gz UECKEURNLHDZHP-WDEREUQCSA-N 1 2 388.436 -0.599 20 0 GBADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000825471437 607640631 /nfs/dbraw/zinc/64/06/31/607640631.db2.gz UECKEURNLHDZHP-WDEREUQCSA-N 1 2 388.436 -0.599 20 0 GBADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000825581695 947241351 /nfs/dbraw/zinc/24/13/51/947241351.db2.gz DGRYLACPSWFGHG-GFCCVEGCSA-N 1 2 379.421 -0.753 20 0 GBADLO CCOC[C@@H](O)C[NH+]1CCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000825581696 947242152 /nfs/dbraw/zinc/24/21/52/947242152.db2.gz DGRYLACPSWFGHG-LBPRGKRZSA-N 1 2 379.421 -0.753 20 0 GBADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825582081 609224759 /nfs/dbraw/zinc/22/47/59/609224759.db2.gz HMXCJACYCTXQJB-CVEARBPZSA-N 1 2 390.444 -0.558 20 0 GBADLO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825582082 609225177 /nfs/dbraw/zinc/22/51/77/609225177.db2.gz HMXCJACYCTXQJB-HOTGVXAUSA-N 1 2 390.444 -0.558 20 0 GBADLO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825582083 609225037 /nfs/dbraw/zinc/22/50/37/609225037.db2.gz HMXCJACYCTXQJB-HZPDHXFCSA-N 1 2 390.444 -0.558 20 0 GBADLO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825582084 609224885 /nfs/dbraw/zinc/22/48/85/609224885.db2.gz HMXCJACYCTXQJB-JKSUJKDBSA-N 1 2 390.444 -0.558 20 0 GBADLO CCOCC[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC000825594766 608268002 /nfs/dbraw/zinc/26/80/02/608268002.db2.gz QGNKVDZYTRJMBD-UHFFFAOYSA-N 1 2 378.437 -0.220 20 0 GBADLO CCOCC[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC000825594766 608268001 /nfs/dbraw/zinc/26/80/01/608268001.db2.gz QGNKVDZYTRJMBD-UHFFFAOYSA-N 1 2 378.437 -0.220 20 0 GBADLO CCS(=O)(=O)NCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825662915 607964873 /nfs/dbraw/zinc/96/48/73/607964873.db2.gz DWXHIFMXAILWTL-UHFFFAOYSA-N 1 2 393.473 -0.550 20 0 GBADLO CCS(=O)(=O)NCCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000825663614 607794608 /nfs/dbraw/zinc/79/46/08/607794608.db2.gz SLWYIHRQFOQKBZ-UHFFFAOYSA-N 1 2 380.478 -0.287 20 0 GBADLO CCS(=O)(=O)NCCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000825663779 607795929 /nfs/dbraw/zinc/79/59/29/607795929.db2.gz WBLOSDRBYZRDQA-GFCCVEGCSA-N 1 2 395.493 -0.503 20 0 GBADLO CCS(=O)(=O)NCCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000825663779 607795928 /nfs/dbraw/zinc/79/59/28/607795928.db2.gz WBLOSDRBYZRDQA-GFCCVEGCSA-N 1 2 395.493 -0.503 20 0 GBADLO CCS(=O)(=O)NCCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000825663784 607796054 /nfs/dbraw/zinc/79/60/54/607796054.db2.gz WBLOSDRBYZRDQA-LBPRGKRZSA-N 1 2 395.493 -0.503 20 0 GBADLO CCS(=O)(=O)NCCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000825663784 607796053 /nfs/dbraw/zinc/79/60/53/607796053.db2.gz WBLOSDRBYZRDQA-LBPRGKRZSA-N 1 2 395.493 -0.503 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)CC1 ZINC000825839531 607613581 /nfs/dbraw/zinc/61/35/81/607613581.db2.gz IZXZNVAIAUZXBG-UHFFFAOYSA-N 1 2 393.473 -0.302 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC(CCC[NH+](C)C)CC2)n(C)c1=O ZINC000825860878 608305534 /nfs/dbraw/zinc/30/55/34/608305534.db2.gz ZUKPGKYDBIJXJC-UHFFFAOYSA-N 1 2 376.465 -0.178 20 0 GBADLO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000825865614 608300442 /nfs/dbraw/zinc/30/04/42/608300442.db2.gz IDCAOMRNVWGPDO-ZDUSSCGKSA-N 1 2 386.416 -0.645 20 0 GBADLO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000825865812 607963834 /nfs/dbraw/zinc/96/38/34/607963834.db2.gz MGZLELVXTSIOOB-ZDUSSCGKSA-N 1 2 386.416 -0.645 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825901815 947366486 /nfs/dbraw/zinc/36/64/86/947366486.db2.gz LDZIMMINASNXMW-CABCVRRESA-N 1 2 376.417 -0.948 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825901816 947365676 /nfs/dbraw/zinc/36/56/76/947365676.db2.gz LDZIMMINASNXMW-GJZGRUSLSA-N 1 2 376.417 -0.948 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825901817 947365391 /nfs/dbraw/zinc/36/53/91/947365391.db2.gz LDZIMMINASNXMW-HUUCEWRRSA-N 1 2 376.417 -0.948 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825901818 947363768 /nfs/dbraw/zinc/36/37/68/947363768.db2.gz LDZIMMINASNXMW-LSDHHAIUSA-N 1 2 376.417 -0.948 20 0 GBADLO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)NCCC[NH+]1CCOCC1 ZINC000825929789 609299238 /nfs/dbraw/zinc/29/92/38/609299238.db2.gz JTTUAIQOFRALNL-UHFFFAOYSA-N 1 2 392.468 -0.532 20 0 GBADLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825938395 608748131 /nfs/dbraw/zinc/74/81/31/608748131.db2.gz RNAVLNINXJEGNL-UHFFFAOYSA-N 1 2 376.446 -0.018 20 0 GBADLO C[N@H+](CCN1CCCS1(=O)=O)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825938395 608748130 /nfs/dbraw/zinc/74/81/30/608748130.db2.gz RNAVLNINXJEGNL-UHFFFAOYSA-N 1 2 376.446 -0.018 20 0 GBADLO CN1C(=O)NC2(CC[NH+](CC(=O)Nc3sccc3-c3nn[nH]n3)CC2)C1=O ZINC000826016746 608043317 /nfs/dbraw/zinc/04/33/17/608043317.db2.gz FWYJWLRWKUZKFZ-UHFFFAOYSA-N 1 2 390.429 -0.117 20 0 GBADLO CN1C(=O)NC2(CC[NH+](CC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)C1=O ZINC000826018309 608043629 /nfs/dbraw/zinc/04/36/29/608043629.db2.gz VLCBHOMYEWCNQN-UHFFFAOYSA-N 1 2 384.400 -0.179 20 0 GBADLO CN1C(=O)NC2(CC[NH+](CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000826018382 608043612 /nfs/dbraw/zinc/04/36/12/608043612.db2.gz XHOMKCGXKVWYFC-UHFFFAOYSA-N 1 2 384.400 -0.179 20 0 GBADLO C[NH+]1CCC(O)(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000826029156 607641278 /nfs/dbraw/zinc/64/12/78/607641278.db2.gz PQMIBYCQOOKPOE-UHFFFAOYSA-N 1 2 388.400 -0.120 20 0 GBADLO CN(c1cccc(-c2nn[nH]n2)n1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000826033588 607899178 /nfs/dbraw/zinc/89/91/78/607899178.db2.gz HWQMZYFVYQNKBB-UHFFFAOYSA-N 1 2 399.503 -0.064 20 0 GBADLO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000826034641 607592019 /nfs/dbraw/zinc/59/20/19/607592019.db2.gz UJEWACPYGIXVEF-UHFFFAOYSA-N 1 2 397.436 -0.552 20 0 GBADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC000826034854 609353418 /nfs/dbraw/zinc/35/34/18/609353418.db2.gz XPKGZEPFSUGQQN-UHFFFAOYSA-N 1 2 399.390 -0.096 20 0 GBADLO C[NH+]1CCN(C(=O)CN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)CC1 ZINC000826037792 607958440 /nfs/dbraw/zinc/95/84/40/607958440.db2.gz DYQBRYYTVQVRKX-UHFFFAOYSA-N 1 2 388.451 -0.098 20 0 GBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826038013 608332009 /nfs/dbraw/zinc/33/20/09/608332009.db2.gz FZZAECOWXCAACR-CYBMUJFWSA-N 1 2 383.453 -0.329 20 0 GBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826038013 608332008 /nfs/dbraw/zinc/33/20/08/608332008.db2.gz FZZAECOWXCAACR-CYBMUJFWSA-N 1 2 383.453 -0.329 20 0 GBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826038014 608331944 /nfs/dbraw/zinc/33/19/44/608331944.db2.gz FZZAECOWXCAACR-ZDUSSCGKSA-N 1 2 383.453 -0.329 20 0 GBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826038014 608331943 /nfs/dbraw/zinc/33/19/43/608331943.db2.gz FZZAECOWXCAACR-ZDUSSCGKSA-N 1 2 383.453 -0.329 20 0 GBADLO CN1CC[NH+](C[C@H]2CN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CCO2)CC1 ZINC000826038339 608691064 /nfs/dbraw/zinc/69/10/64/608691064.db2.gz KEBJFYCZFWQTIZ-KRWDZBQOSA-N 1 2 397.487 -0.037 20 0 GBADLO C[NH+]1CCN(C[C@H]2CN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CCO2)CC1 ZINC000826038339 608691061 /nfs/dbraw/zinc/69/10/61/608691061.db2.gz KEBJFYCZFWQTIZ-KRWDZBQOSA-N 1 2 397.487 -0.037 20 0 GBADLO CN1CC[NH+](C[C@@H]2CN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CCO2)CC1 ZINC000826038340 608691353 /nfs/dbraw/zinc/69/13/53/608691353.db2.gz KEBJFYCZFWQTIZ-QGZVFWFLSA-N 1 2 397.487 -0.037 20 0 GBADLO C[NH+]1CCN(C[C@@H]2CN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CCO2)CC1 ZINC000826038340 608691351 /nfs/dbraw/zinc/69/13/51/608691351.db2.gz KEBJFYCZFWQTIZ-QGZVFWFLSA-N 1 2 397.487 -0.037 20 0 GBADLO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000826044145 609302530 /nfs/dbraw/zinc/30/25/30/609302530.db2.gz ABJSDRQQWZBLHY-JTQLQIEISA-N 1 2 378.441 -0.923 20 0 GBADLO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000826044145 609302528 /nfs/dbraw/zinc/30/25/28/609302528.db2.gz ABJSDRQQWZBLHY-JTQLQIEISA-N 1 2 378.441 -0.923 20 0 GBADLO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000826044146 609302612 /nfs/dbraw/zinc/30/26/12/609302612.db2.gz ABJSDRQQWZBLHY-SNVBAGLBSA-N 1 2 378.441 -0.923 20 0 GBADLO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000826044146 609302609 /nfs/dbraw/zinc/30/26/09/609302609.db2.gz ABJSDRQQWZBLHY-SNVBAGLBSA-N 1 2 378.441 -0.923 20 0 GBADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)C1 ZINC000826044706 947415526 /nfs/dbraw/zinc/41/55/26/947415526.db2.gz JKFLPYPERHFQFL-JTQLQIEISA-N 1 2 391.436 -0.797 20 0 GBADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)C1 ZINC000826044706 947415514 /nfs/dbraw/zinc/41/55/14/947415514.db2.gz JKFLPYPERHFQFL-JTQLQIEISA-N 1 2 391.436 -0.797 20 0 GBADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)C1 ZINC000826044707 947416472 /nfs/dbraw/zinc/41/64/72/947416472.db2.gz JKFLPYPERHFQFL-SNVBAGLBSA-N 1 2 391.436 -0.797 20 0 GBADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)C1 ZINC000826044707 947416463 /nfs/dbraw/zinc/41/64/63/947416463.db2.gz JKFLPYPERHFQFL-SNVBAGLBSA-N 1 2 391.436 -0.797 20 0 GBADLO CNC(=O)[C@@H]1C[N@@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000826060130 609373415 /nfs/dbraw/zinc/37/34/15/609373415.db2.gz HNGMTARVENDJHR-AWEZNQCLSA-N 1 2 383.416 -0.162 20 0 GBADLO CNC(=O)[C@@H]1C[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000826060130 609373413 /nfs/dbraw/zinc/37/34/13/609373413.db2.gz HNGMTARVENDJHR-AWEZNQCLSA-N 1 2 383.416 -0.162 20 0 GBADLO CNC(=O)[C@H]1C[N@@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000826060131 609373147 /nfs/dbraw/zinc/37/31/47/609373147.db2.gz HNGMTARVENDJHR-CQSZACIVSA-N 1 2 383.416 -0.162 20 0 GBADLO CNC(=O)[C@H]1C[N@H+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000826060131 609373144 /nfs/dbraw/zinc/37/31/44/609373144.db2.gz HNGMTARVENDJHR-CQSZACIVSA-N 1 2 383.416 -0.162 20 0 GBADLO COCC(=O)N(C)CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826147768 607964975 /nfs/dbraw/zinc/96/49/75/607964975.db2.gz LKTPAUPNNJSMKY-UHFFFAOYSA-N 1 2 387.444 -0.384 20 0 GBADLO COCC1([N@@H+](C)CC(=O)N2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)CC1 ZINC000826152966 608043615 /nfs/dbraw/zinc/04/36/15/608043615.db2.gz VQNHYXVJSNMTBK-UHFFFAOYSA-N 1 2 390.448 -0.077 20 0 GBADLO COCC1([N@H+](C)CC(=O)N2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)CC1 ZINC000826152966 608043614 /nfs/dbraw/zinc/04/36/14/608043614.db2.gz VQNHYXVJSNMTBK-UHFFFAOYSA-N 1 2 390.448 -0.077 20 0 GBADLO COCCNC(=O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000826160099 608350453 /nfs/dbraw/zinc/35/04/53/608350453.db2.gz FLKGCKQOHAGJHA-UHFFFAOYSA-N 1 2 389.460 -0.245 20 0 GBADLO COCCNC(=O)CN1CC[NH+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000826160377 607477710 /nfs/dbraw/zinc/47/77/10/607477710.db2.gz PMPOSSLWOFOIIG-UHFFFAOYSA-N 1 2 389.460 -0.245 20 0 GBADLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000826169368 608372373 /nfs/dbraw/zinc/37/23/73/608372373.db2.gz QJQCMVJZBVUJCE-UHFFFAOYSA-N 1 2 381.462 -0.719 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000826183140 607469733 /nfs/dbraw/zinc/46/97/33/607469733.db2.gz FXKLPTUJYKFHBB-UHFFFAOYSA-N 1 2 381.462 -0.719 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000826185791 608809615 /nfs/dbraw/zinc/80/96/15/608809615.db2.gz UJSDILTXYZQUTH-GFCCVEGCSA-N 1 2 377.405 -0.310 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000826185792 608809350 /nfs/dbraw/zinc/80/93/50/608809350.db2.gz UJSDILTXYZQUTH-LBPRGKRZSA-N 1 2 377.405 -0.310 20 0 GBADLO COc1ccc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)cc1-c1nn[nH]n1 ZINC000826195130 607522525 /nfs/dbraw/zinc/52/25/25/607522525.db2.gz JAJFPFJIEPFVGE-UHFFFAOYSA-N 1 2 381.462 -0.719 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826223307 607808617 /nfs/dbraw/zinc/80/86/17/607808617.db2.gz IQRMBLCIKZAXCZ-CHWSQXEVSA-N 1 2 379.446 -0.593 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826223308 607808809 /nfs/dbraw/zinc/80/88/09/607808809.db2.gz IQRMBLCIKZAXCZ-OLZOCXBDSA-N 1 2 379.446 -0.593 20 0 GBADLO CS(=O)(=O)N1CCC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826223513 608510537 /nfs/dbraw/zinc/51/05/37/608510537.db2.gz PEBCIHHITBAWCU-UHFFFAOYSA-N 1 2 376.446 -0.018 20 0 GBADLO CS(=O)(=O)N1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826223513 608510535 /nfs/dbraw/zinc/51/05/35/608510535.db2.gz PEBCIHHITBAWCU-UHFFFAOYSA-N 1 2 376.446 -0.018 20 0 GBADLO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCN1S(C)(=O)=O ZINC000826232406 947679748 /nfs/dbraw/zinc/67/97/48/947679748.db2.gz JIVNGPUQAMGVAQ-GXTWGEPZSA-N 1 2 396.473 -0.428 20 0 GBADLO C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCN1S(C)(=O)=O ZINC000826232406 947679739 /nfs/dbraw/zinc/67/97/39/947679739.db2.gz JIVNGPUQAMGVAQ-GXTWGEPZSA-N 1 2 396.473 -0.428 20 0 GBADLO C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCN1S(C)(=O)=O ZINC000826232407 947680619 /nfs/dbraw/zinc/68/06/19/947680619.db2.gz JIVNGPUQAMGVAQ-JSGCOSHPSA-N 1 2 396.473 -0.428 20 0 GBADLO C[C@H]1C[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CCN1S(C)(=O)=O ZINC000826232407 947680614 /nfs/dbraw/zinc/68/06/14/947680614.db2.gz JIVNGPUQAMGVAQ-JSGCOSHPSA-N 1 2 396.473 -0.428 20 0 GBADLO Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000826233115 607777091 /nfs/dbraw/zinc/77/70/91/607777091.db2.gz UQAWIMOVNTYNTH-KRWDZBQOSA-N 1 2 377.449 -0.054 20 0 GBADLO Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000826233116 607777195 /nfs/dbraw/zinc/77/71/95/607777195.db2.gz UQAWIMOVNTYNTH-QGZVFWFLSA-N 1 2 377.449 -0.054 20 0 GBADLO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000826247290 607692208 /nfs/dbraw/zinc/69/22/08/607692208.db2.gz YQHXAFIMEJBNJX-HNNXBMFYSA-N 1 2 399.455 -0.162 20 0 GBADLO Cc1cc(-c2nn[nH]n2)ccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000826247291 607692624 /nfs/dbraw/zinc/69/26/24/607692624.db2.gz YQHXAFIMEJBNJX-OAHLLOKOSA-N 1 2 399.455 -0.162 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CCOCC[C@H]3C)CC2)o1 ZINC000826322853 608564510 /nfs/dbraw/zinc/56/45/10/608564510.db2.gz DQGVMNAVVRATAD-GFCCVEGCSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCOCC[C@H]3C)CC2)o1 ZINC000826322853 608564508 /nfs/dbraw/zinc/56/45/08/608564508.db2.gz DQGVMNAVVRATAD-GFCCVEGCSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CCOCC[C@@H]3C)CC2)o1 ZINC000826322854 608564294 /nfs/dbraw/zinc/56/42/94/608564294.db2.gz DQGVMNAVVRATAD-LBPRGKRZSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCOCC[C@@H]3C)CC2)o1 ZINC000826322854 608564292 /nfs/dbraw/zinc/56/42/92/608564292.db2.gz DQGVMNAVVRATAD-LBPRGKRZSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CC[N@@H+](C)[C@H](C)C3)CC2)o1 ZINC000826322925 608042274 /nfs/dbraw/zinc/04/22/74/608042274.db2.gz HQZGCGJIDRKUJY-GFCCVEGCSA-N 1 2 389.464 -0.552 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CC[N@H+](C)[C@H](C)C3)CC2)o1 ZINC000826322925 608042273 /nfs/dbraw/zinc/04/22/73/608042273.db2.gz HQZGCGJIDRKUJY-GFCCVEGCSA-N 1 2 389.464 -0.552 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000826322926 608042084 /nfs/dbraw/zinc/04/20/84/608042084.db2.gz HQZGCGJIDRKUJY-LBPRGKRZSA-N 1 2 389.464 -0.552 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000826322926 608042083 /nfs/dbraw/zinc/04/20/83/608042083.db2.gz HQZGCGJIDRKUJY-LBPRGKRZSA-N 1 2 389.464 -0.552 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CCOC[C@H](C)C3)CC2)o1 ZINC000826322930 607832796 /nfs/dbraw/zinc/83/27/96/607832796.db2.gz HUGSRJMFZPULMQ-GFCCVEGCSA-N 1 2 390.448 -0.220 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCOC[C@H](C)C3)CC2)o1 ZINC000826322930 607832795 /nfs/dbraw/zinc/83/27/95/607832795.db2.gz HUGSRJMFZPULMQ-GFCCVEGCSA-N 1 2 390.448 -0.220 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CCOC[C@@H](C)C3)CC2)o1 ZINC000826322931 607832893 /nfs/dbraw/zinc/83/28/93/607832893.db2.gz HUGSRJMFZPULMQ-LBPRGKRZSA-N 1 2 390.448 -0.220 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCOC[C@@H](C)C3)CC2)o1 ZINC000826322931 607832892 /nfs/dbraw/zinc/83/28/92/607832892.db2.gz HUGSRJMFZPULMQ-LBPRGKRZSA-N 1 2 390.448 -0.220 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)C[C@@H](O)C3CC3)CC2)o1 ZINC000826323270 607639374 /nfs/dbraw/zinc/63/93/74/607639374.db2.gz XROSCTLAMUSOOJ-CYBMUJFWSA-N 1 2 390.448 -0.486 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)C[C@@H](O)C3CC3)CC2)o1 ZINC000826323270 607639373 /nfs/dbraw/zinc/63/93/73/607639373.db2.gz XROSCTLAMUSOOJ-CYBMUJFWSA-N 1 2 390.448 -0.486 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)C[C@H](O)C3CC3)CC2)o1 ZINC000826323271 607639341 /nfs/dbraw/zinc/63/93/41/607639341.db2.gz XROSCTLAMUSOOJ-ZDUSSCGKSA-N 1 2 390.448 -0.486 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)C[C@H](O)C3CC3)CC2)o1 ZINC000826323271 607639340 /nfs/dbraw/zinc/63/93/40/607639340.db2.gz XROSCTLAMUSOOJ-ZDUSSCGKSA-N 1 2 390.448 -0.486 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CCCOC[C@H]3C)CC2)o1 ZINC000826323304 607475453 /nfs/dbraw/zinc/47/54/53/607475453.db2.gz YZIZZHNHBDBOJG-GFCCVEGCSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCCOC[C@H]3C)CC2)o1 ZINC000826323304 607475450 /nfs/dbraw/zinc/47/54/50/607475450.db2.gz YZIZZHNHBDBOJG-GFCCVEGCSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CCCOC[C@@H]3C)CC2)o1 ZINC000826323305 607476694 /nfs/dbraw/zinc/47/66/94/607476694.db2.gz YZIZZHNHBDBOJG-LBPRGKRZSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCCOC[C@@H]3C)CC2)o1 ZINC000826323305 607476693 /nfs/dbraw/zinc/47/66/93/607476693.db2.gz YZIZZHNHBDBOJG-LBPRGKRZSA-N 1 2 390.448 -0.077 20 0 GBADLO Cc1onc(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1-c1nn[nH]n1 ZINC000826343554 947992397 /nfs/dbraw/zinc/99/23/97/947992397.db2.gz FYLZPJNXYVYTJL-CYBMUJFWSA-N 1 2 391.432 -0.345 20 0 GBADLO Cc1onc(CC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1-c1nn[nH]n1 ZINC000826343555 947993284 /nfs/dbraw/zinc/99/32/84/947993284.db2.gz FYLZPJNXYVYTJL-ZDUSSCGKSA-N 1 2 391.432 -0.345 20 0 GBADLO Cc1onc(CC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1-c1nn[nH]n1 ZINC000826344188 948001365 /nfs/dbraw/zinc/00/13/65/948001365.db2.gz ZRZQVAXRPQAGMX-LLVKDONJSA-N 1 2 397.461 -0.717 20 0 GBADLO Cc1onc(CC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1-c1nn[nH]n1 ZINC000826344189 948002659 /nfs/dbraw/zinc/00/26/59/948002659.db2.gz ZRZQVAXRPQAGMX-NSHDSACASA-N 1 2 397.461 -0.717 20 0 GBADLO Cc1onc(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1-c1nn[nH]n1 ZINC000826347326 948054220 /nfs/dbraw/zinc/05/42/20/948054220.db2.gz NLRKAOKZGZJJIL-UHFFFAOYSA-N 1 2 398.431 -0.566 20 0 GBADLO Cc1onc(CC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1-c1nn[nH]n1 ZINC000826348824 948083051 /nfs/dbraw/zinc/08/30/51/948083051.db2.gz GZPCYMZVKOQCDC-UHFFFAOYSA-N 1 2 387.404 -0.127 20 0 GBADLO Cc1onc(CC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1-c1nn[nH]n1 ZINC000826348995 948084831 /nfs/dbraw/zinc/08/48/31/948084831.db2.gz PFGHYYHAPAVWFW-UHFFFAOYSA-N 1 2 387.404 -0.127 20 0 GBADLO Cn1c2[nH]c(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)nc2c(=O)n(C)c1=O ZINC000826354772 608532586 /nfs/dbraw/zinc/53/25/86/608532586.db2.gz UONAJLIPBANBOZ-UHFFFAOYSA-N 1 2 393.411 -0.081 20 0 GBADLO Cn1c(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc(=O)n(C)c1=O ZINC000826355271 608069945 /nfs/dbraw/zinc/06/99/45/608069945.db2.gz RNNSBHKXFSVAKU-HNNXBMFYSA-N 1 2 383.412 -0.162 20 0 GBADLO Cn1c(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc(=O)n(C)c1=O ZINC000826355271 608069944 /nfs/dbraw/zinc/06/99/44/608069944.db2.gz RNNSBHKXFSVAKU-HNNXBMFYSA-N 1 2 383.412 -0.162 20 0 GBADLO Cn1c(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc(=O)n(C)c1=O ZINC000826355272 608069870 /nfs/dbraw/zinc/06/98/70/608069870.db2.gz RNNSBHKXFSVAKU-OAHLLOKOSA-N 1 2 383.412 -0.162 20 0 GBADLO Cn1c(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc(=O)n(C)c1=O ZINC000826355272 608069869 /nfs/dbraw/zinc/06/98/69/608069869.db2.gz RNNSBHKXFSVAKU-OAHLLOKOSA-N 1 2 383.412 -0.162 20 0 GBADLO Cn1c(=O)c(-c2nn[nH]n2)c(NCC2CCN(c3cc[nH+]cc3)CC2)n(C)c1=O ZINC000826355894 608243527 /nfs/dbraw/zinc/24/35/27/608243527.db2.gz RLLVZBOUATVDQY-UHFFFAOYSA-N 1 2 397.443 -0.012 20 0 GBADLO Cn1cc(-c2nn[nH]n2)cc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000826357388 609389121 /nfs/dbraw/zinc/38/91/21/609389121.db2.gz CSUZYXOLCREZJD-AWEZNQCLSA-N 1 2 375.433 -0.232 20 0 GBADLO Cn1cc(-c2nn[nH]n2)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000826357389 609388811 /nfs/dbraw/zinc/38/88/11/609388811.db2.gz CSUZYXOLCREZJD-CQSZACIVSA-N 1 2 375.433 -0.232 20 0 GBADLO Cn1cc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(=O)n(C)c1=O ZINC000826361346 608503155 /nfs/dbraw/zinc/50/31/55/608503155.db2.gz UDHSVTHKOFAVFP-UHFFFAOYSA-N 1 2 396.455 -0.418 20 0 GBADLO Cn1cc(C[NH+]2CCN(CC(N)=O)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361411 948131971 /nfs/dbraw/zinc/13/19/71/948131971.db2.gz WKJCVECFYGKCAG-UHFFFAOYSA-N 1 2 381.444 -0.130 20 0 GBADLO Cn1cc(C[NH+]2CCN(C(=O)CO)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361444 948130938 /nfs/dbraw/zinc/13/09/38/948130938.db2.gz XHCWBLCHEWNTFK-UHFFFAOYSA-N 1 2 382.428 -0.096 20 0 GBADLO Cn1ccnc(N2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)c1=O ZINC000826363840 608720961 /nfs/dbraw/zinc/72/09/61/608720961.db2.gz DBGPRYYKZUDKCL-UHFFFAOYSA-N 1 2 392.427 -0.070 20 0 GBADLO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000826364727 608055067 /nfs/dbraw/zinc/05/50/67/608055067.db2.gz INFGFQCIPNYQNU-UHFFFAOYSA-N 1 2 375.418 -0.494 20 0 GBADLO Cn1cnn(CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1=O ZINC000826365077 609411184 /nfs/dbraw/zinc/41/11/84/609411184.db2.gz AJHSUMRBXSGFRK-UHFFFAOYSA-N 1 2 383.416 -0.894 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC000826366699 609194129 /nfs/dbraw/zinc/19/41/29/609194129.db2.gz UMDDJVUEQRZEKZ-UHFFFAOYSA-N 1 2 379.388 -0.166 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC000826366707 607690445 /nfs/dbraw/zinc/69/04/45/607690445.db2.gz UQYJNNMRQYJPGF-UHFFFAOYSA-N 1 2 379.388 -0.166 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2ccnc2-c2nn[nH]n2)CC1 ZINC000826366744 608888712 /nfs/dbraw/zinc/88/87/12/608888712.db2.gz VWKCUXQDJOUHDM-UHFFFAOYSA-N 1 2 394.403 -0.911 20 0 GBADLO Cn1nnnc1CCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826366982 608257325 /nfs/dbraw/zinc/25/73/25/608257325.db2.gz GPXYYEZIEOGXLM-UHFFFAOYSA-N 1 2 397.447 -0.540 20 0 GBADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000826389412 608040618 /nfs/dbraw/zinc/04/06/18/608040618.db2.gz XNLBTNICOPWAND-CYBMUJFWSA-N 1 2 379.446 -0.606 20 0 GBADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000826389413 608040680 /nfs/dbraw/zinc/04/06/80/608040680.db2.gz XNLBTNICOPWAND-ZDUSSCGKSA-N 1 2 379.446 -0.606 20 0 GBADLO NS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826393715 948202451 /nfs/dbraw/zinc/20/24/51/948202451.db2.gz GGOFDLNNKWHSHK-KBPBESRZSA-N 1 2 391.457 -0.275 20 0 GBADLO NS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826393715 948202442 /nfs/dbraw/zinc/20/24/42/948202442.db2.gz GGOFDLNNKWHSHK-KBPBESRZSA-N 1 2 391.457 -0.275 20 0 GBADLO NS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826393716 948202600 /nfs/dbraw/zinc/20/26/00/948202600.db2.gz GGOFDLNNKWHSHK-KGLIPLIRSA-N 1 2 391.457 -0.275 20 0 GBADLO NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826393716 948202593 /nfs/dbraw/zinc/20/25/93/948202593.db2.gz GGOFDLNNKWHSHK-KGLIPLIRSA-N 1 2 391.457 -0.275 20 0 GBADLO NS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826393717 948204525 /nfs/dbraw/zinc/20/45/25/948204525.db2.gz GGOFDLNNKWHSHK-UONOGXRCSA-N 1 2 391.457 -0.275 20 0 GBADLO NS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826393717 948204518 /nfs/dbraw/zinc/20/45/18/948204518.db2.gz GGOFDLNNKWHSHK-UONOGXRCSA-N 1 2 391.457 -0.275 20 0 GBADLO NS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826393718 948203343 /nfs/dbraw/zinc/20/33/43/948203343.db2.gz GGOFDLNNKWHSHK-ZIAGYGMSSA-N 1 2 391.457 -0.275 20 0 GBADLO NS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826393718 948203338 /nfs/dbraw/zinc/20/33/38/948203338.db2.gz GGOFDLNNKWHSHK-ZIAGYGMSSA-N 1 2 391.457 -0.275 20 0 GBADLO NS(=O)(=O)C1CC[NH+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826393865 608040437 /nfs/dbraw/zinc/04/04/37/608040437.db2.gz MSTKYUXNGOFDDJ-UHFFFAOYSA-N 1 2 379.446 -0.764 20 0 GBADLO NS(=O)(=O)CC1CC[NH+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826394313 608040444 /nfs/dbraw/zinc/04/04/44/608040444.db2.gz FQRUOJHWLJZZFB-UHFFFAOYSA-N 1 2 393.473 -0.517 20 0 GBADLO NS(=O)(=O)C1CC[NH+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826394385 608040410 /nfs/dbraw/zinc/04/04/10/608040410.db2.gz ICQTUYIDWCLMKR-UHFFFAOYSA-N 1 2 379.446 -0.764 20 0 GBADLO NS(=O)(=O)CC1CC[NH+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826394632 608040577 /nfs/dbraw/zinc/04/05/77/608040577.db2.gz RLXQQLNEXVUWMR-UHFFFAOYSA-N 1 2 379.446 -0.194 20 0 GBADLO NS(=O)(=O)CC1CC[NH+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826394779 608040590 /nfs/dbraw/zinc/04/05/90/608040590.db2.gz ZADZFGFOZADLDW-UHFFFAOYSA-N 1 2 393.473 -0.517 20 0 GBADLO Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)c1-c1nn[nH]n1 ZINC000826395062 608341652 /nfs/dbraw/zinc/34/16/52/608341652.db2.gz LNWXLNKUDOWUDI-UHFFFAOYSA-N 1 2 395.387 -0.493 20 0 GBADLO O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000826398336 609235983 /nfs/dbraw/zinc/23/59/83/609235983.db2.gz VDCCYGROQKOFRC-HNNXBMFYSA-N 1 2 383.416 -0.664 20 0 GBADLO O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000826398337 609236087 /nfs/dbraw/zinc/23/60/87/609236087.db2.gz VDCCYGROQKOFRC-OAHLLOKOSA-N 1 2 383.416 -0.664 20 0 GBADLO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407105 948239487 /nfs/dbraw/zinc/23/94/87/948239487.db2.gz BDMHRSQFGKCJCO-SECBINFHSA-N 1 2 376.402 -0.507 20 0 GBADLO O=C(CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407105 948239477 /nfs/dbraw/zinc/23/94/77/948239477.db2.gz BDMHRSQFGKCJCO-SECBINFHSA-N 1 2 376.402 -0.507 20 0 GBADLO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407106 948240228 /nfs/dbraw/zinc/24/02/28/948240228.db2.gz BDMHRSQFGKCJCO-VIFPVBQESA-N 1 2 376.402 -0.507 20 0 GBADLO O=C(CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000826407106 948240226 /nfs/dbraw/zinc/24/02/26/948240226.db2.gz BDMHRSQFGKCJCO-VIFPVBQESA-N 1 2 376.402 -0.507 20 0 GBADLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000826409504 608089024 /nfs/dbraw/zinc/08/90/24/608089024.db2.gz CHQACAVDXDJPBI-CHWSQXEVSA-N 1 2 384.400 -0.582 20 0 GBADLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000826409504 608089023 /nfs/dbraw/zinc/08/90/23/608089023.db2.gz CHQACAVDXDJPBI-CHWSQXEVSA-N 1 2 384.400 -0.582 20 0 GBADLO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000826409505 608088798 /nfs/dbraw/zinc/08/87/98/608088798.db2.gz CHQACAVDXDJPBI-OLZOCXBDSA-N 1 2 384.400 -0.582 20 0 GBADLO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000826409505 608088797 /nfs/dbraw/zinc/08/87/97/608088797.db2.gz CHQACAVDXDJPBI-OLZOCXBDSA-N 1 2 384.400 -0.582 20 0 GBADLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000826409506 608088748 /nfs/dbraw/zinc/08/87/48/608088748.db2.gz CHQACAVDXDJPBI-QWHCGFSZSA-N 1 2 384.400 -0.582 20 0 GBADLO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000826409506 608088747 /nfs/dbraw/zinc/08/87/47/608088747.db2.gz CHQACAVDXDJPBI-QWHCGFSZSA-N 1 2 384.400 -0.582 20 0 GBADLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000826409507 608089070 /nfs/dbraw/zinc/08/90/70/608089070.db2.gz CHQACAVDXDJPBI-STQMWFEESA-N 1 2 384.400 -0.582 20 0 GBADLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000826409507 608089069 /nfs/dbraw/zinc/08/90/69/608089069.db2.gz CHQACAVDXDJPBI-STQMWFEESA-N 1 2 384.400 -0.582 20 0 GBADLO O=C(CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)N1CCOCC1 ZINC000826410974 608505507 /nfs/dbraw/zinc/50/55/07/608505507.db2.gz GCZFSHSRBNRIAD-UHFFFAOYSA-N 1 2 377.474 -0.095 20 0 GBADLO O=C(CN1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1)N1CCOCC1 ZINC000826411270 608505681 /nfs/dbraw/zinc/50/56/81/608505681.db2.gz RPDYIFWMOZUTSZ-UHFFFAOYSA-N 1 2 377.474 -0.095 20 0 GBADLO O=C(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)OCCn1cc[nH+]c1 ZINC000826413013 608252773 /nfs/dbraw/zinc/25/27/73/608252773.db2.gz MXYDMRJNBJOLIU-UHFFFAOYSA-N 1 2 377.386 -0.415 20 0 GBADLO O=C(CNS(=O)(=O)c1ccccc1-c1nn[nH]n1)OCCn1cc[nH+]c1 ZINC000826413058 608253721 /nfs/dbraw/zinc/25/37/21/608253721.db2.gz OTSRWKGMFDFZEM-UHFFFAOYSA-N 1 2 377.386 -0.415 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000826424775 609263492 /nfs/dbraw/zinc/26/34/92/609263492.db2.gz CKGUVHABIIMCIJ-UHFFFAOYSA-N 1 2 389.464 -0.191 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000826425801 608074886 /nfs/dbraw/zinc/07/48/86/608074886.db2.gz UPPIQHONDPLEOU-CABCVRRESA-N 1 2 397.443 -0.543 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000826425801 608074885 /nfs/dbraw/zinc/07/48/85/608074885.db2.gz UPPIQHONDPLEOU-CABCVRRESA-N 1 2 397.443 -0.543 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000826425802 608075107 /nfs/dbraw/zinc/07/51/07/608075107.db2.gz UPPIQHONDPLEOU-GJZGRUSLSA-N 1 2 397.443 -0.543 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000826425802 608075106 /nfs/dbraw/zinc/07/51/06/608075106.db2.gz UPPIQHONDPLEOU-GJZGRUSLSA-N 1 2 397.443 -0.543 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000826425803 608074976 /nfs/dbraw/zinc/07/49/76/608074976.db2.gz UPPIQHONDPLEOU-HUUCEWRRSA-N 1 2 397.443 -0.543 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000826425803 608074975 /nfs/dbraw/zinc/07/49/75/608074975.db2.gz UPPIQHONDPLEOU-HUUCEWRRSA-N 1 2 397.443 -0.543 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000826425804 608075145 /nfs/dbraw/zinc/07/51/45/608075145.db2.gz UPPIQHONDPLEOU-LSDHHAIUSA-N 1 2 397.443 -0.543 20 0 GBADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000826425804 608075144 /nfs/dbraw/zinc/07/51/44/608075144.db2.gz UPPIQHONDPLEOU-LSDHHAIUSA-N 1 2 397.443 -0.543 20 0 GBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826435197 607619329 /nfs/dbraw/zinc/61/93/29/607619329.db2.gz IMZJHVMBGUZIOK-DLBZAZTESA-N 1 2 382.472 -0.049 20 0 GBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826435198 607621005 /nfs/dbraw/zinc/62/10/05/607621005.db2.gz IMZJHVMBGUZIOK-IAGOWNOFSA-N 1 2 382.472 -0.049 20 0 GBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826435199 607620935 /nfs/dbraw/zinc/62/09/35/607620935.db2.gz IMZJHVMBGUZIOK-IRXDYDNUSA-N 1 2 382.472 -0.049 20 0 GBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826435200 607621182 /nfs/dbraw/zinc/62/11/82/607621182.db2.gz IMZJHVMBGUZIOK-SJORKVTESA-N 1 2 382.472 -0.049 20 0 GBADLO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826481748 608109845 /nfs/dbraw/zinc/10/98/45/608109845.db2.gz HVRQJZIXLVBTOV-ZDUSSCGKSA-N 1 2 384.400 -0.891 20 0 GBADLO O=S(=O)([C@H]1CCC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1)N1CCOCC1 ZINC000826483959 609498190 /nfs/dbraw/zinc/49/81/90/609498190.db2.gz HJQBOVRFEVIPHT-AWEZNQCLSA-N 1 2 393.473 -0.112 20 0 GBADLO O=S(=O)([C@H]1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1)N1CCOCC1 ZINC000826483959 609498188 /nfs/dbraw/zinc/49/81/88/609498188.db2.gz HJQBOVRFEVIPHT-AWEZNQCLSA-N 1 2 393.473 -0.112 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1)N1CCOCC1 ZINC000826483960 609497831 /nfs/dbraw/zinc/49/78/31/609497831.db2.gz HJQBOVRFEVIPHT-CQSZACIVSA-N 1 2 393.473 -0.112 20 0 GBADLO O=S(=O)([C@@H]1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1)N1CCOCC1 ZINC000826483960 609497827 /nfs/dbraw/zinc/49/78/27/609497827.db2.gz HJQBOVRFEVIPHT-CQSZACIVSA-N 1 2 393.473 -0.112 20 0 GBADLO O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)N1CC[NH+](CCCO)CC1 ZINC000826485505 608567133 /nfs/dbraw/zinc/56/71/33/608567133.db2.gz SXOYFZYDUQJILV-UHFFFAOYSA-N 1 2 384.437 -0.164 20 0 GBADLO O=S(=O)(NC1CC[NH+](CCO)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826488018 607634749 /nfs/dbraw/zinc/63/47/49/607634749.db2.gz GSWKUKYTNLQYKK-UHFFFAOYSA-N 1 2 388.400 -0.120 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000826493791 607639203 /nfs/dbraw/zinc/63/92/03/607639203.db2.gz CISCJUQSTNIIGV-HNNXBMFYSA-N 1 2 378.458 -0.056 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000826493792 607639115 /nfs/dbraw/zinc/63/91/15/607639115.db2.gz CISCJUQSTNIIGV-OAHLLOKOSA-N 1 2 378.458 -0.056 20 0 GBADLO O=S(=O)(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCC[N@H+](CCO)CC1 ZINC000826493844 607626190 /nfs/dbraw/zinc/62/61/90/607626190.db2.gz FOJHOPZNIQHTCS-UHFFFAOYSA-N 1 2 388.400 -0.166 20 0 GBADLO O=S(=O)(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCC[N@@H+](CCO)CC1 ZINC000826493844 607626189 /nfs/dbraw/zinc/62/61/89/607626189.db2.gz FOJHOPZNIQHTCS-UHFFFAOYSA-N 1 2 388.400 -0.166 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000826494641 609572371 /nfs/dbraw/zinc/57/23/71/609572371.db2.gz KLLQHBVTPQZEOV-KBPBESRZSA-N 1 2 379.446 -0.519 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000826494642 609572615 /nfs/dbraw/zinc/57/26/15/609572615.db2.gz KLLQHBVTPQZEOV-KGLIPLIRSA-N 1 2 379.446 -0.519 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000826494643 609572555 /nfs/dbraw/zinc/57/25/55/609572555.db2.gz KLLQHBVTPQZEOV-UONOGXRCSA-N 1 2 379.446 -0.519 20 0 GBADLO O=S(=O)(c1ccc(-c2nn[nH]n2)nc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000826494644 609572332 /nfs/dbraw/zinc/57/23/32/609572332.db2.gz KLLQHBVTPQZEOV-ZIAGYGMSSA-N 1 2 379.446 -0.519 20 0 GBADLO O=S1(=O)CCCN1CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826496605 607520377 /nfs/dbraw/zinc/52/03/77/607520377.db2.gz BGYCKNNIIZSCLS-UHFFFAOYSA-N 1 2 378.462 -0.581 20 0 GBADLO O=S1(=O)CCCN1CC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826497251 607518942 /nfs/dbraw/zinc/51/89/42/607518942.db2.gz ZUMDXMUIBVQAPO-UHFFFAOYSA-N 1 2 378.462 -0.581 20 0 GBADLO Cc1nc(N)sc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000826906625 638012459 /nfs/dbraw/zinc/01/24/59/638012459.db2.gz FIGWBZKOLMSXMS-UHFFFAOYSA-N 1 2 388.519 -0.716 20 0 GBADLO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000827356374 601091675 /nfs/dbraw/zinc/09/16/75/601091675.db2.gz QWVANSXVQPCMQE-CVEARBPZSA-N 1 2 396.488 -0.826 20 0 GBADLO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000827356375 601091142 /nfs/dbraw/zinc/09/11/42/601091142.db2.gz QWVANSXVQPCMQE-HOTGVXAUSA-N 1 2 396.488 -0.826 20 0 GBADLO C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000827356376 601091201 /nfs/dbraw/zinc/09/12/01/601091201.db2.gz QWVANSXVQPCMQE-HZPDHXFCSA-N 1 2 396.488 -0.826 20 0 GBADLO C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000827356378 601091524 /nfs/dbraw/zinc/09/15/24/601091524.db2.gz QWVANSXVQPCMQE-JKSUJKDBSA-N 1 2 396.488 -0.826 20 0 GBADLO O=C(NCCS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)OCc1ccccc1 ZINC000827984605 1073404023 /nfs/dbraw/zinc/40/40/23/1073404023.db2.gz HUJYPSCWUZUCLD-MRXNPFEDSA-N 1 2 383.470 -0.007 20 0 GBADLO O=C(NCCS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)OCc1ccccc1 ZINC000827984605 1073404022 /nfs/dbraw/zinc/40/40/22/1073404022.db2.gz HUJYPSCWUZUCLD-MRXNPFEDSA-N 1 2 383.470 -0.007 20 0 GBADLO C[C@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C(=O)[O-] ZINC000828430892 601514182 /nfs/dbraw/zinc/51/41/82/601514182.db2.gz FGAQDIUQRMZDRC-GXTWGEPZSA-N 1 2 387.444 -0.336 20 0 GBADLO C[C@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C(=O)[O-] ZINC000828430892 601514180 /nfs/dbraw/zinc/51/41/80/601514180.db2.gz FGAQDIUQRMZDRC-GXTWGEPZSA-N 1 2 387.444 -0.336 20 0 GBADLO C[C@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1C(=O)[O-] ZINC000828430895 601514034 /nfs/dbraw/zinc/51/40/34/601514034.db2.gz FGAQDIUQRMZDRC-JSGCOSHPSA-N 1 2 387.444 -0.336 20 0 GBADLO C[C@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1C(=O)[O-] ZINC000828430895 601514032 /nfs/dbraw/zinc/51/40/32/601514032.db2.gz FGAQDIUQRMZDRC-JSGCOSHPSA-N 1 2 387.444 -0.336 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1C(=O)[O-] ZINC000828430897 601514234 /nfs/dbraw/zinc/51/42/34/601514234.db2.gz FGAQDIUQRMZDRC-OCCSQVGLSA-N 1 2 387.444 -0.336 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1C(=O)[O-] ZINC000828430897 601514233 /nfs/dbraw/zinc/51/42/33/601514233.db2.gz FGAQDIUQRMZDRC-OCCSQVGLSA-N 1 2 387.444 -0.336 20 0 GBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C(=O)[O-] ZINC000828430899 601513962 /nfs/dbraw/zinc/51/39/62/601513962.db2.gz FGAQDIUQRMZDRC-TZMCWYRMSA-N 1 2 387.444 -0.336 20 0 GBADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C(=O)[O-] ZINC000828430899 601513959 /nfs/dbraw/zinc/51/39/59/601513959.db2.gz FGAQDIUQRMZDRC-TZMCWYRMSA-N 1 2 387.444 -0.336 20 0 GBADLO CN(C(=O)C1(NC(=O)[O-])CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000828499795 604464204 /nfs/dbraw/zinc/46/42/04/604464204.db2.gz ADBORADYFYRRON-UHFFFAOYSA-N 1 2 381.477 -0.517 20 0 GBADLO O=C(CN1CC[NH2+]CC1=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000829447911 638019073 /nfs/dbraw/zinc/01/90/73/638019073.db2.gz SYVAINGDOWOLBH-UHFFFAOYSA-N 1 2 386.396 -0.904 20 0 GBADLO CC(C)NS(=O)(=O)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000829498082 638019056 /nfs/dbraw/zinc/01/90/56/638019056.db2.gz XCLUEICGNWAXET-UHFFFAOYSA-N 1 2 390.531 -0.263 20 0 GBADLO C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000829552144 638019801 /nfs/dbraw/zinc/01/98/01/638019801.db2.gz VUVVWGORFFSTFX-GFCCVEGCSA-N 1 2 386.499 -0.200 20 0 GBADLO C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000829552145 638019552 /nfs/dbraw/zinc/01/95/52/638019552.db2.gz VUVVWGORFFSTFX-LBPRGKRZSA-N 1 2 386.499 -0.200 20 0 GBADLO CN(C)S(=O)(=O)C1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000829662996 638019854 /nfs/dbraw/zinc/01/98/54/638019854.db2.gz XVZPTAFGHBKTJS-KGLIPLIRSA-N 1 2 375.491 -0.594 20 0 GBADLO CNS(=O)(=O)N1CC[NH+](CCCN2C(=O)CS/C2=C/C(=O)OC)CC1 ZINC000829847968 638019722 /nfs/dbraw/zinc/01/97/22/638019722.db2.gz NVOIOSKLVUWFEW-JLHYYAGUSA-N 1 2 392.503 -0.952 20 0 GBADLO CNS(=O)(=O)N1CC[NH+](CCCN2C(=O)CS/C2=C\C(=O)OC)CC1 ZINC000829847969 638019599 /nfs/dbraw/zinc/01/95/99/638019599.db2.gz NVOIOSKLVUWFEW-RAXLEYEMSA-N 1 2 392.503 -0.952 20 0 GBADLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000830574135 638022634 /nfs/dbraw/zinc/02/26/34/638022634.db2.gz JMUNWNKNOWLJGN-CYBMUJFWSA-N 1 2 378.495 -0.453 20 0 GBADLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000830574135 638022628 /nfs/dbraw/zinc/02/26/28/638022628.db2.gz JMUNWNKNOWLJGN-CYBMUJFWSA-N 1 2 378.495 -0.453 20 0 GBADLO CN(C)C(=O)O[C@H]1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000830574137 638022672 /nfs/dbraw/zinc/02/26/72/638022672.db2.gz JMUNWNKNOWLJGN-ZDUSSCGKSA-N 1 2 378.495 -0.453 20 0 GBADLO CN(C)C(=O)O[C@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000830574137 638022665 /nfs/dbraw/zinc/02/26/65/638022665.db2.gz JMUNWNKNOWLJGN-ZDUSSCGKSA-N 1 2 378.495 -0.453 20 0 GBADLO COC(=O)[C@@H]1C[NH+](CCS(=O)(=O)CC[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)C[C@@H]1C ZINC000831120086 601504471 /nfs/dbraw/zinc/50/44/71/601504471.db2.gz XRWXETAOWWBCTA-BYNSBNAKSA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[NH+](CCS(=O)(=O)CC[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)C[C@@H]1C ZINC000831120086 601504470 /nfs/dbraw/zinc/50/44/70/601504470.db2.gz XRWXETAOWWBCTA-BYNSBNAKSA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[N@@H+](CCS(=O)(=O)CC[NH+]2C[C@H](C)[C@H](C(=O)[O-])C2)C[C@@H]1C ZINC000831120086 601504469 /nfs/dbraw/zinc/50/44/69/601504469.db2.gz XRWXETAOWWBCTA-BYNSBNAKSA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[N@H+](CCS(=O)(=O)CC[NH+]2C[C@H](C)[C@H](C(=O)[O-])C2)C[C@@H]1C ZINC000831120086 601504468 /nfs/dbraw/zinc/50/44/68/601504468.db2.gz XRWXETAOWWBCTA-BYNSBNAKSA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[NH+](CCS(=O)(=O)CC[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)C[C@H]1C ZINC000831120087 601504516 /nfs/dbraw/zinc/50/45/16/601504516.db2.gz XRWXETAOWWBCTA-GBJTYRQASA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[NH+](CCS(=O)(=O)CC[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)C[C@H]1C ZINC000831120087 601504515 /nfs/dbraw/zinc/50/45/15/601504515.db2.gz XRWXETAOWWBCTA-GBJTYRQASA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[N@@H+](CCS(=O)(=O)CC[NH+]2C[C@H](C)[C@H](C(=O)[O-])C2)C[C@H]1C ZINC000831120087 601504514 /nfs/dbraw/zinc/50/45/14/601504514.db2.gz XRWXETAOWWBCTA-GBJTYRQASA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[N@H+](CCS(=O)(=O)CC[NH+]2C[C@H](C)[C@H](C(=O)[O-])C2)C[C@H]1C ZINC000831120087 601504513 /nfs/dbraw/zinc/50/45/13/601504513.db2.gz XRWXETAOWWBCTA-GBJTYRQASA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[NH+](CCS(=O)(=O)CC[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC000831120088 601504344 /nfs/dbraw/zinc/50/43/44/601504344.db2.gz XRWXETAOWWBCTA-LJISPDSOSA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[NH+](CCS(=O)(=O)CC[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC000831120088 601504342 /nfs/dbraw/zinc/50/43/42/601504342.db2.gz XRWXETAOWWBCTA-LJISPDSOSA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[N@@H+](CCS(=O)(=O)CC[NH+]2C[C@H](C)[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC000831120088 601504341 /nfs/dbraw/zinc/50/43/41/601504341.db2.gz XRWXETAOWWBCTA-LJISPDSOSA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[N@H+](CCS(=O)(=O)CC[NH+]2C[C@H](C)[C@@H](C(=O)[O-])C2)C[C@H]1C ZINC000831120088 601504339 /nfs/dbraw/zinc/50/43/39/601504339.db2.gz XRWXETAOWWBCTA-LJISPDSOSA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[NH+](CCS(=O)(=O)CC[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)C[C@@H]1C ZINC000831120089 601504456 /nfs/dbraw/zinc/50/44/56/601504456.db2.gz XRWXETAOWWBCTA-ZQDZILKHSA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[NH+](CCS(=O)(=O)CC[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)C[C@@H]1C ZINC000831120089 601504455 /nfs/dbraw/zinc/50/44/55/601504455.db2.gz XRWXETAOWWBCTA-ZQDZILKHSA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[N@@H+](CCS(=O)(=O)CC[NH+]2C[C@H](C)[C@@H](C(=O)[O-])C2)C[C@@H]1C ZINC000831120089 601504454 /nfs/dbraw/zinc/50/44/54/601504454.db2.gz XRWXETAOWWBCTA-ZQDZILKHSA-N 1 2 390.502 -0.205 20 0 GBADLO COC(=O)[C@@H]1C[N@H+](CCS(=O)(=O)CC[NH+]2C[C@H](C)[C@@H](C(=O)[O-])C2)C[C@@H]1C ZINC000831120089 601504453 /nfs/dbraw/zinc/50/44/53/601504453.db2.gz XRWXETAOWWBCTA-ZQDZILKHSA-N 1 2 390.502 -0.205 20 0 GBADLO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)C1 ZINC000831178809 604148305 /nfs/dbraw/zinc/14/83/05/604148305.db2.gz LWZFPGAOTGFMTR-AWEZNQCLSA-N 1 2 384.481 -0.831 20 0 GBADLO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)C1 ZINC000831178809 604148303 /nfs/dbraw/zinc/14/83/03/604148303.db2.gz LWZFPGAOTGFMTR-AWEZNQCLSA-N 1 2 384.481 -0.831 20 0 GBADLO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)C1 ZINC000831178819 604148314 /nfs/dbraw/zinc/14/83/14/604148314.db2.gz LWZFPGAOTGFMTR-CQSZACIVSA-N 1 2 384.481 -0.831 20 0 GBADLO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)C1 ZINC000831178819 604148313 /nfs/dbraw/zinc/14/83/13/604148313.db2.gz LWZFPGAOTGFMTR-CQSZACIVSA-N 1 2 384.481 -0.831 20 0 GBADLO O=C([O-])N1CC[NH+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000831688949 605296242 /nfs/dbraw/zinc/29/62/42/605296242.db2.gz HKXZFWQNXKGVNX-CVEARBPZSA-N 1 2 383.493 -0.041 20 0 GBADLO O=C([O-])N1CC[NH+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000831688952 605296090 /nfs/dbraw/zinc/29/60/90/605296090.db2.gz HKXZFWQNXKGVNX-HOTGVXAUSA-N 1 2 383.493 -0.041 20 0 GBADLO O=C([O-])N1CC[NH+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000831688954 605296166 /nfs/dbraw/zinc/29/61/66/605296166.db2.gz HKXZFWQNXKGVNX-HZPDHXFCSA-N 1 2 383.493 -0.041 20 0 GBADLO O=C([O-])N1CC[NH+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000831688956 605296082 /nfs/dbraw/zinc/29/60/82/605296082.db2.gz HKXZFWQNXKGVNX-JKSUJKDBSA-N 1 2 383.493 -0.041 20 0 GBADLO O=C([O-])N1CC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000831958511 605838633 /nfs/dbraw/zinc/83/86/33/605838633.db2.gz JHIRCULSQRAGAF-AWEZNQCLSA-N 1 2 383.474 -0.125 20 0 GBADLO O=C([O-])N1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000831958512 605838840 /nfs/dbraw/zinc/83/88/40/605838840.db2.gz JHIRCULSQRAGAF-CQSZACIVSA-N 1 2 383.474 -0.125 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000833061201 601930804 /nfs/dbraw/zinc/93/08/04/601930804.db2.gz AITJHWJKHZKDTA-GOSISDBHSA-N 1 2 387.444 -0.192 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000833061201 601930803 /nfs/dbraw/zinc/93/08/03/601930803.db2.gz AITJHWJKHZKDTA-GOSISDBHSA-N 1 2 387.444 -0.192 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000833061205 601930779 /nfs/dbraw/zinc/93/07/79/601930779.db2.gz AITJHWJKHZKDTA-SFHVURJKSA-N 1 2 387.444 -0.192 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000833061205 601930778 /nfs/dbraw/zinc/93/07/78/601930778.db2.gz AITJHWJKHZKDTA-SFHVURJKSA-N 1 2 387.444 -0.192 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])C2CC2)CC1 ZINC000833061817 601036060 /nfs/dbraw/zinc/03/60/60/601036060.db2.gz JIXVHHJDRUYQAV-GOSISDBHSA-N 1 2 387.444 -0.145 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@](C)(C(=O)[O-])C2CC2)CC1 ZINC000833061818 601035936 /nfs/dbraw/zinc/03/59/36/601035936.db2.gz JIXVHHJDRUYQAV-SFHVURJKSA-N 1 2 387.444 -0.145 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+]C(C)(C)CC(=O)[O-])CC1 ZINC000833061845 604442852 /nfs/dbraw/zinc/44/28/52/604442852.db2.gz KBQMLAHUAIWIPP-UHFFFAOYSA-N 1 2 375.433 -0.145 20 0 GBADLO C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000833404914 605547145 /nfs/dbraw/zinc/54/71/45/605547145.db2.gz VTDPRAIWFAFOCU-HNNXBMFYSA-N 1 2 383.489 -0.143 20 0 GBADLO C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000833404916 605548043 /nfs/dbraw/zinc/54/80/43/605548043.db2.gz VTDPRAIWFAFOCU-OAHLLOKOSA-N 1 2 383.489 -0.143 20 0 GBADLO CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3cn(CC(=O)[O-])nn3)CC2)C1 ZINC000833503020 604870303 /nfs/dbraw/zinc/87/03/03/604870303.db2.gz ZRKLNBFRHNCDMS-KRWDZBQOSA-N 1 2 380.493 -0.368 20 0 GBADLO CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3cn(CC(=O)[O-])nn3)CC2)C1 ZINC000833503020 604870297 /nfs/dbraw/zinc/87/02/97/604870297.db2.gz ZRKLNBFRHNCDMS-KRWDZBQOSA-N 1 2 380.493 -0.368 20 0 GBADLO CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCc3cn(CC(=O)[O-])nn3)CC2)C1 ZINC000833503029 604870626 /nfs/dbraw/zinc/87/06/26/604870626.db2.gz ZRKLNBFRHNCDMS-QGZVFWFLSA-N 1 2 380.493 -0.368 20 0 GBADLO CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCc3cn(CC(=O)[O-])nn3)CC2)C1 ZINC000833503029 604870624 /nfs/dbraw/zinc/87/06/24/604870624.db2.gz ZRKLNBFRHNCDMS-QGZVFWFLSA-N 1 2 380.493 -0.368 20 0 GBADLO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000833625576 605100085 /nfs/dbraw/zinc/10/00/85/605100085.db2.gz WQJODEYOGAJGJU-CVEARBPZSA-N 1 2 396.488 -0.826 20 0 GBADLO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000833625576 605100080 /nfs/dbraw/zinc/10/00/80/605100080.db2.gz WQJODEYOGAJGJU-CVEARBPZSA-N 1 2 396.488 -0.826 20 0 GBADLO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000833625580 605100549 /nfs/dbraw/zinc/10/05/49/605100549.db2.gz WQJODEYOGAJGJU-HOTGVXAUSA-N 1 2 396.488 -0.826 20 0 GBADLO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000833625580 605100546 /nfs/dbraw/zinc/10/05/46/605100546.db2.gz WQJODEYOGAJGJU-HOTGVXAUSA-N 1 2 396.488 -0.826 20 0 GBADLO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000833625584 605100745 /nfs/dbraw/zinc/10/07/45/605100745.db2.gz WQJODEYOGAJGJU-HZPDHXFCSA-N 1 2 396.488 -0.826 20 0 GBADLO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000833625584 605100742 /nfs/dbraw/zinc/10/07/42/605100742.db2.gz WQJODEYOGAJGJU-HZPDHXFCSA-N 1 2 396.488 -0.826 20 0 GBADLO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000833625587 605100405 /nfs/dbraw/zinc/10/04/05/605100405.db2.gz WQJODEYOGAJGJU-JKSUJKDBSA-N 1 2 396.488 -0.826 20 0 GBADLO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000833625587 605100404 /nfs/dbraw/zinc/10/04/04/605100404.db2.gz WQJODEYOGAJGJU-JKSUJKDBSA-N 1 2 396.488 -0.826 20 0 GBADLO CO[C@@H]1CC(=O)N(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000840145568 637939871 /nfs/dbraw/zinc/93/98/71/637939871.db2.gz FMGMPDNDYCVYHP-LLVKDONJSA-N 1 2 375.422 -0.012 20 0 GBADLO CO[C@@H]1CC(=O)N(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000840145568 637939864 /nfs/dbraw/zinc/93/98/64/637939864.db2.gz FMGMPDNDYCVYHP-LLVKDONJSA-N 1 2 375.422 -0.012 20 0 GBADLO CO[C@H]1CC(=O)N(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000840145569 637940064 /nfs/dbraw/zinc/94/00/64/637940064.db2.gz FMGMPDNDYCVYHP-NSHDSACASA-N 1 2 375.422 -0.012 20 0 GBADLO CO[C@H]1CC(=O)N(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000840145569 637940057 /nfs/dbraw/zinc/94/00/57/637940057.db2.gz FMGMPDNDYCVYHP-NSHDSACASA-N 1 2 375.422 -0.012 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000840278041 637957951 /nfs/dbraw/zinc/95/79/51/637957951.db2.gz YFRKIQYNTNCICN-UHFFFAOYSA-N 1 2 378.495 -0.942 20 0 GBADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000842960444 638047714 /nfs/dbraw/zinc/04/77/14/638047714.db2.gz AIONBMATSCLOIB-DZGCQCFKSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000842960444 638047703 /nfs/dbraw/zinc/04/77/03/638047703.db2.gz AIONBMATSCLOIB-DZGCQCFKSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000842960447 638047461 /nfs/dbraw/zinc/04/74/61/638047461.db2.gz AIONBMATSCLOIB-HIFRSBDPSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000842960447 638047454 /nfs/dbraw/zinc/04/74/54/638047454.db2.gz AIONBMATSCLOIB-HIFRSBDPSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000842960450 638047761 /nfs/dbraw/zinc/04/77/61/638047761.db2.gz AIONBMATSCLOIB-UKRRQHHQSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000842960450 638047751 /nfs/dbraw/zinc/04/77/51/638047751.db2.gz AIONBMATSCLOIB-UKRRQHHQSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000842960453 638047660 /nfs/dbraw/zinc/04/76/60/638047660.db2.gz AIONBMATSCLOIB-ZFWWWQNUSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000842960453 638047654 /nfs/dbraw/zinc/04/76/54/638047654.db2.gz AIONBMATSCLOIB-ZFWWWQNUSA-N 1 2 378.491 -0.063 20 0 GBADLO CC(C)(C)OC(=O)COCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000843793866 638053030 /nfs/dbraw/zinc/05/30/30/638053030.db2.gz GBUWIECARHQKDD-UHFFFAOYSA-N 1 2 378.491 -0.030 20 0 GBADLO CNS(=O)(=O)N1CC[NH+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000844328981 638055940 /nfs/dbraw/zinc/05/59/40/638055940.db2.gz CNVVIQLYJSLSTN-HNNXBMFYSA-N 1 2 380.511 -0.314 20 0 GBADLO CNS(=O)(=O)N1CC[NH+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000844328982 638055850 /nfs/dbraw/zinc/05/58/50/638055850.db2.gz CNVVIQLYJSLSTN-OAHLLOKOSA-N 1 2 380.511 -0.314 20 0 GBADLO CC(C)(C)OC(=O)C(=O)N1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000844341772 638055991 /nfs/dbraw/zinc/05/59/91/638055991.db2.gz WCOZBVRESLGHLG-CYBMUJFWSA-N 1 2 375.491 -0.246 20 0 GBADLO CC(C)(C)OC(=O)C(=O)N1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000844341773 638056084 /nfs/dbraw/zinc/05/60/84/638056084.db2.gz WCOZBVRESLGHLG-ZDUSSCGKSA-N 1 2 375.491 -0.246 20 0 GBADLO NS(=O)(=O)C1(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000845202462 638059505 /nfs/dbraw/zinc/05/95/05/638059505.db2.gz OCDYLYYGBTYZON-UHFFFAOYSA-N 1 2 387.483 -0.243 20 0 GBADLO NS(=O)(=O)C1(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000845204867 638059867 /nfs/dbraw/zinc/05/98/67/638059867.db2.gz LMRXWSGUJOIWNK-UHFFFAOYSA-N 1 2 387.483 -0.243 20 0 GBADLO O=C(COC(=O)[C@H]1CCS(=O)(=O)N1)N1CC[NH+](Cc2cccs2)CC1 ZINC000845362810 638060453 /nfs/dbraw/zinc/06/04/53/638060453.db2.gz DXEQTZZHPVYHGE-CYBMUJFWSA-N 1 2 387.483 -0.373 20 0 GBADLO O=C(COC(=O)[C@@H]1CCS(=O)(=O)N1)N1CC[NH+](Cc2cccs2)CC1 ZINC000845362812 638060500 /nfs/dbraw/zinc/06/05/00/638060500.db2.gz DXEQTZZHPVYHGE-ZDUSSCGKSA-N 1 2 387.483 -0.373 20 0 GBADLO O=C(COC(=O)[C@H]1CCS(=O)(=O)N1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000845368064 638061149 /nfs/dbraw/zinc/06/11/49/638061149.db2.gz LXAZORHWLSETJP-CYBMUJFWSA-N 1 2 387.483 -0.373 20 0 GBADLO O=C(COC(=O)[C@@H]1CCS(=O)(=O)N1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000845368068 638060900 /nfs/dbraw/zinc/06/09/00/638060900.db2.gz LXAZORHWLSETJP-ZDUSSCGKSA-N 1 2 387.483 -0.373 20 0 GBADLO C[N@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000845756872 638063460 /nfs/dbraw/zinc/06/34/60/638063460.db2.gz NHRSAQXQUBHNNV-NEPJUHHUSA-N 1 2 376.479 -0.655 20 0 GBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000845756872 638063457 /nfs/dbraw/zinc/06/34/57/638063457.db2.gz NHRSAQXQUBHNNV-NEPJUHHUSA-N 1 2 376.479 -0.655 20 0 GBADLO C[N@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000845756873 638063235 /nfs/dbraw/zinc/06/32/35/638063235.db2.gz NHRSAQXQUBHNNV-NWDGAFQWSA-N 1 2 376.479 -0.655 20 0 GBADLO C[N@@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000845756873 638063224 /nfs/dbraw/zinc/06/32/24/638063224.db2.gz NHRSAQXQUBHNNV-NWDGAFQWSA-N 1 2 376.479 -0.655 20 0 GBADLO C[N@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000845756874 638063285 /nfs/dbraw/zinc/06/32/85/638063285.db2.gz NHRSAQXQUBHNNV-RYUDHWBXSA-N 1 2 376.479 -0.655 20 0 GBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000845756874 638063279 /nfs/dbraw/zinc/06/32/79/638063279.db2.gz NHRSAQXQUBHNNV-RYUDHWBXSA-N 1 2 376.479 -0.655 20 0 GBADLO C[N@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000845756875 638063377 /nfs/dbraw/zinc/06/33/77/638063377.db2.gz NHRSAQXQUBHNNV-VXGBXAGGSA-N 1 2 376.479 -0.655 20 0 GBADLO C[N@@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000845756875 638063375 /nfs/dbraw/zinc/06/33/75/638063375.db2.gz NHRSAQXQUBHNNV-VXGBXAGGSA-N 1 2 376.479 -0.655 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000846265078 638069575 /nfs/dbraw/zinc/06/95/75/638069575.db2.gz XPTIWOPFKXBDKS-APHBMKBZSA-N 1 2 379.860 -0.041 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000846265079 638069463 /nfs/dbraw/zinc/06/94/63/638069463.db2.gz XPTIWOPFKXBDKS-MAZHCROVSA-N 1 2 379.860 -0.041 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000846265080 638069252 /nfs/dbraw/zinc/06/92/52/638069252.db2.gz XPTIWOPFKXBDKS-RCBQFDQVSA-N 1 2 379.860 -0.041 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000846265081 638069499 /nfs/dbraw/zinc/06/94/99/638069499.db2.gz XPTIWOPFKXBDKS-VBNZEHGJSA-N 1 2 379.860 -0.041 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000846617736 638071323 /nfs/dbraw/zinc/07/13/23/638071323.db2.gz VOTHVGPWYAQFGS-UHFFFAOYSA-N 1 2 376.255 -0.002 20 0 GBADLO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH+]2CCN(S(N)(=O)=O)CC2)C1 ZINC000846803050 638072027 /nfs/dbraw/zinc/07/20/27/638072027.db2.gz MARAWXLXVWDXLX-HNNXBMFYSA-N 1 2 378.495 -0.431 20 0 GBADLO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH+]2CCN(S(N)(=O)=O)CC2)C1 ZINC000846803052 638072155 /nfs/dbraw/zinc/07/21/55/638072155.db2.gz MARAWXLXVWDXLX-OAHLLOKOSA-N 1 2 378.495 -0.431 20 0 GBADLO CS(C)(=O)=NS(=O)(=O)N1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000846965301 638073716 /nfs/dbraw/zinc/07/37/16/638073716.db2.gz LNDSRKLSSVPKAF-OKILXGFUSA-N 1 2 380.536 -0.560 20 0 GBADLO CS(C)(=O)=NS(=O)(=O)N1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000846965301 638073709 /nfs/dbraw/zinc/07/37/09/638073709.db2.gz LNDSRKLSSVPKAF-OKILXGFUSA-N 1 2 380.536 -0.560 20 0 GBADLO O=C(CCN1C(=O)CCNC1=S)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000847380781 638076291 /nfs/dbraw/zinc/07/62/91/638076291.db2.gz UDLZWQDGGZGOFX-INIZCTEOSA-N 1 2 386.543 -0.193 20 0 GBADLO O=C(CCN1C(=O)CCNC1=S)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000847380782 638076202 /nfs/dbraw/zinc/07/62/02/638076202.db2.gz UDLZWQDGGZGOFX-MRXNPFEDSA-N 1 2 386.543 -0.193 20 0 GBADLO O=S(=O)(CCCS(=O)(=O)N1CCC2(C1)OCCO2)Nc1cc[nH+]cc1 ZINC000848959315 638098050 /nfs/dbraw/zinc/09/80/50/638098050.db2.gz FQIFNEFIKQOPNB-UHFFFAOYSA-N 1 2 391.471 -0.586 20 0 GBADLO C[NH+](C)C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(F)n2)C1 ZINC000848959756 638099600 /nfs/dbraw/zinc/09/96/00/638099600.db2.gz QNEZFECLRVEEHQ-UHFFFAOYSA-N 1 2 380.467 -0.072 20 0 GBADLO O=CN1CCCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CC1 ZINC000848962079 638104093 /nfs/dbraw/zinc/10/40/93/638104093.db2.gz YBLXTPCLJPNOOJ-UHFFFAOYSA-N 1 2 390.487 -0.871 20 0 GBADLO C[C@@]1(NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CCOC1=O ZINC000848963230 638108144 /nfs/dbraw/zinc/10/81/44/638108144.db2.gz NDPZBWPEYATEIY-CYBMUJFWSA-N 1 2 377.444 -0.740 20 0 GBADLO C[C@]1(NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CCOC1=O ZINC000848963231 638108288 /nfs/dbraw/zinc/10/82/88/638108288.db2.gz NDPZBWPEYATEIY-ZDUSSCGKSA-N 1 2 377.444 -0.740 20 0 GBADLO CC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)OCCCO1 ZINC000848964711 638113160 /nfs/dbraw/zinc/11/31/60/638113160.db2.gz XOBNMSPOAWCWKO-UHFFFAOYSA-N 1 2 393.487 -0.292 20 0 GBADLO CC1(C)COC(=O)[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000848964850 638113257 /nfs/dbraw/zinc/11/32/57/638113257.db2.gz YFZYDVQCYKEFLN-GFCCVEGCSA-N 1 2 391.471 -0.494 20 0 GBADLO CC1(C)COC(=O)[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000848964853 638113333 /nfs/dbraw/zinc/11/33/33/638113333.db2.gz YFZYDVQCYKEFLN-LBPRGKRZSA-N 1 2 391.471 -0.494 20 0 GBADLO CC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)OCCO1 ZINC000848964898 638113927 /nfs/dbraw/zinc/11/39/27/638113927.db2.gz GHPAZFXGAXGTNL-UHFFFAOYSA-N 1 2 379.460 -0.682 20 0 GBADLO CC1(C)OCC(NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CO1 ZINC000848965429 638114598 /nfs/dbraw/zinc/11/45/98/638114598.db2.gz OXTAFZUGNOXTAZ-UHFFFAOYSA-N 1 2 393.487 -0.294 20 0 GBADLO NC(=O)C1(NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CCCC1 ZINC000848965946 638115769 /nfs/dbraw/zinc/11/57/69/638115769.db2.gz YLADCYOHJQHABL-UHFFFAOYSA-N 1 2 390.487 -0.647 20 0 GBADLO C[C@]1(NS(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CCOC1=O ZINC000848967622 638119461 /nfs/dbraw/zinc/11/94/61/638119461.db2.gz DXPDFQPVDZPQBX-AWEZNQCLSA-N 1 2 391.471 -0.350 20 0 GBADLO C[C@@]1(NS(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CCOC1=O ZINC000848967623 638119339 /nfs/dbraw/zinc/11/93/39/638119339.db2.gz DXPDFQPVDZPQBX-CQSZACIVSA-N 1 2 391.471 -0.350 20 0 GBADLO O=C1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)CCCN1 ZINC000848968661 638121027 /nfs/dbraw/zinc/12/10/27/638121027.db2.gz DNGJAONPJPYWQG-UHFFFAOYSA-N 1 2 390.487 -0.823 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC1SCCS1 ZINC000850648374 638141559 /nfs/dbraw/zinc/14/15/59/638141559.db2.gz VPDDEEVRDVVKAT-GFCCVEGCSA-N 1 2 377.532 -0.550 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC1SCCS1 ZINC000850648384 638141616 /nfs/dbraw/zinc/14/16/16/638141616.db2.gz VPDDEEVRDVVKAT-LBPRGKRZSA-N 1 2 377.532 -0.550 20 0 GBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc(Cl)nc1 ZINC000851843244 638154977 /nfs/dbraw/zinc/15/49/77/638154977.db2.gz DEEZVNCTIYPYNW-CHWSQXEVSA-N 1 2 388.877 -0.239 20 0 GBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc(Cl)nc1 ZINC000851843245 638155716 /nfs/dbraw/zinc/15/57/16/638155716.db2.gz DEEZVNCTIYPYNW-OLZOCXBDSA-N 1 2 388.877 -0.239 20 0 GBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc(Cl)nc1 ZINC000851843246 638155647 /nfs/dbraw/zinc/15/56/47/638155647.db2.gz DEEZVNCTIYPYNW-QWHCGFSZSA-N 1 2 388.877 -0.239 20 0 GBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc(Cl)nc1 ZINC000851843247 638155568 /nfs/dbraw/zinc/15/55/68/638155568.db2.gz DEEZVNCTIYPYNW-STQMWFEESA-N 1 2 388.877 -0.239 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CCn2cnc(Br)n2)CC1 ZINC000852064504 638157071 /nfs/dbraw/zinc/15/70/71/638157071.db2.gz YHEHYWSAWOIBRP-UHFFFAOYSA-N 1 2 381.300 -0.145 20 0 GBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CCn2cnc(Br)n2)CC1 ZINC000852064504 638157045 /nfs/dbraw/zinc/15/70/45/638157045.db2.gz YHEHYWSAWOIBRP-UHFFFAOYSA-N 1 2 381.300 -0.145 20 0 GBADLO COC(=O)N(C)CCN(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000852087250 638157983 /nfs/dbraw/zinc/15/79/83/638157983.db2.gz HIYGLBXNHJJSNX-UHFFFAOYSA-N 1 2 378.495 -0.165 20 0 GBADLO C[C@H]1C[NH+](CCN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)C[C@H](C)O1 ZINC000852140087 638157833 /nfs/dbraw/zinc/15/78/33/638157833.db2.gz INTOTCMXSWMELN-KBPBESRZSA-N 1 2 382.552 -0.314 20 0 GBADLO C[C@@H]1C[N@H+](CCN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)C[C@H](C)O1 ZINC000852140088 638158311 /nfs/dbraw/zinc/15/83/11/638158311.db2.gz INTOTCMXSWMELN-OKILXGFUSA-N 1 2 382.552 -0.314 20 0 GBADLO C[C@@H]1C[N@@H+](CCN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)C[C@H](C)O1 ZINC000852140088 638158305 /nfs/dbraw/zinc/15/83/05/638158305.db2.gz INTOTCMXSWMELN-OKILXGFUSA-N 1 2 382.552 -0.314 20 0 GBADLO C[C@@H]1C[NH+](CCN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)C[C@@H](C)O1 ZINC000852140089 638158012 /nfs/dbraw/zinc/15/80/12/638158012.db2.gz INTOTCMXSWMELN-ZIAGYGMSSA-N 1 2 382.552 -0.314 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@@H+](C[C@H](O)CO)C[C@@H]1CCCS(=O)(=O)C1 ZINC000852179946 638157913 /nfs/dbraw/zinc/15/79/13/638157913.db2.gz OKMCJWHFWKWPCU-KBPBESRZSA-N 1 2 380.507 -0.009 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@H+](C[C@H](O)CO)C[C@@H]1CCCS(=O)(=O)C1 ZINC000852179946 638157902 /nfs/dbraw/zinc/15/79/02/638157902.db2.gz OKMCJWHFWKWPCU-KBPBESRZSA-N 1 2 380.507 -0.009 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@@H+](C[C@H](O)CO)C[C@H]1CCCS(=O)(=O)C1 ZINC000852179947 638158104 /nfs/dbraw/zinc/15/81/04/638158104.db2.gz OKMCJWHFWKWPCU-KGLIPLIRSA-N 1 2 380.507 -0.009 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@H+](C[C@H](O)CO)C[C@H]1CCCS(=O)(=O)C1 ZINC000852179947 638158099 /nfs/dbraw/zinc/15/80/99/638158099.db2.gz OKMCJWHFWKWPCU-KGLIPLIRSA-N 1 2 380.507 -0.009 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@@H+](C[C@@H](O)CO)C[C@@H]1CCCS(=O)(=O)C1 ZINC000852179948 638157946 /nfs/dbraw/zinc/15/79/46/638157946.db2.gz OKMCJWHFWKWPCU-UONOGXRCSA-N 1 2 380.507 -0.009 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@H+](C[C@@H](O)CO)C[C@@H]1CCCS(=O)(=O)C1 ZINC000852179948 638157935 /nfs/dbraw/zinc/15/79/35/638157935.db2.gz OKMCJWHFWKWPCU-UONOGXRCSA-N 1 2 380.507 -0.009 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@@H+](C[C@@H](O)CO)C[C@H]1CCCS(=O)(=O)C1 ZINC000852179949 638158333 /nfs/dbraw/zinc/15/83/33/638158333.db2.gz OKMCJWHFWKWPCU-ZIAGYGMSSA-N 1 2 380.507 -0.009 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@H+](C[C@@H](O)CO)C[C@H]1CCCS(=O)(=O)C1 ZINC000852179949 638158329 /nfs/dbraw/zinc/15/83/29/638158329.db2.gz OKMCJWHFWKWPCU-ZIAGYGMSSA-N 1 2 380.507 -0.009 20 0 GBADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000852531142 638160199 /nfs/dbraw/zinc/16/01/99/638160199.db2.gz XSTUUNLEPMPIKX-OJLMPMFISA-N 1 2 391.515 -0.068 20 0 GBADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000852531142 638160193 /nfs/dbraw/zinc/16/01/93/638160193.db2.gz XSTUUNLEPMPIKX-OJLMPMFISA-N 1 2 391.515 -0.068 20 0 GBADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000852531143 638160382 /nfs/dbraw/zinc/16/03/82/638160382.db2.gz XSTUUNLEPMPIKX-ZMTLZGASSA-N 1 2 391.515 -0.068 20 0 GBADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000852531143 638160376 /nfs/dbraw/zinc/16/03/76/638160376.db2.gz XSTUUNLEPMPIKX-ZMTLZGASSA-N 1 2 391.515 -0.068 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000853606809 638170350 /nfs/dbraw/zinc/17/03/50/638170350.db2.gz TVBGDOPKKGVMCF-AWEZNQCLSA-N 1 2 377.511 -0.723 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000853606809 638170345 /nfs/dbraw/zinc/17/03/45/638170345.db2.gz TVBGDOPKKGVMCF-AWEZNQCLSA-N 1 2 377.511 -0.723 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000853606810 638170427 /nfs/dbraw/zinc/17/04/27/638170427.db2.gz TVBGDOPKKGVMCF-CQSZACIVSA-N 1 2 377.511 -0.723 20 0 GBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000853606810 638170418 /nfs/dbraw/zinc/17/04/18/638170418.db2.gz TVBGDOPKKGVMCF-CQSZACIVSA-N 1 2 377.511 -0.723 20 0 GBADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000854831124 638184000 /nfs/dbraw/zinc/18/40/00/638184000.db2.gz HSAIECPXRNAHPQ-GFCCVEGCSA-N 1 2 389.503 -0.438 20 0 GBADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000854831125 638184126 /nfs/dbraw/zinc/18/41/26/638184126.db2.gz HSAIECPXRNAHPQ-LBPRGKRZSA-N 1 2 389.503 -0.438 20 0 GBADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000854831521 638184951 /nfs/dbraw/zinc/18/49/51/638184951.db2.gz RCXZVYQBLZBAOG-GFCCVEGCSA-N 1 2 389.503 -0.438 20 0 GBADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000854831522 638184854 /nfs/dbraw/zinc/18/48/54/638184854.db2.gz RCXZVYQBLZBAOG-LBPRGKRZSA-N 1 2 389.503 -0.438 20 0 GBADLO CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000854832337 638186764 /nfs/dbraw/zinc/18/67/64/638186764.db2.gz UCOBWJMSWLBVMS-UHFFFAOYSA-N 1 2 377.492 -0.220 20 0 GBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)[NH+]1CCSCC1 ZINC000854832344 638186817 /nfs/dbraw/zinc/18/68/17/638186817.db2.gz UPEHQTXFXGTOFM-GFCCVEGCSA-N 1 2 398.576 -0.460 20 0 GBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)[NH+]1CCSCC1 ZINC000854832345 638187031 /nfs/dbraw/zinc/18/70/31/638187031.db2.gz UPEHQTXFXGTOFM-LBPRGKRZSA-N 1 2 398.576 -0.460 20 0 GBADLO CC(C)(C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)c1c[nH+]c[nH]1 ZINC000854833796 638190395 /nfs/dbraw/zinc/19/03/95/638190395.db2.gz VGHUXEVAYSAGID-UHFFFAOYSA-N 1 2 377.492 -0.196 20 0 GBADLO C[C@H](CC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)n1cc[nH+]c1 ZINC000854834011 638191225 /nfs/dbraw/zinc/19/12/25/638191225.db2.gz HVAWPIRYLQKJOJ-GFCCVEGCSA-N 1 2 377.492 -0.049 20 0 GBADLO C[C@@H](CC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)n1cc[nH+]c1 ZINC000854834012 638191150 /nfs/dbraw/zinc/19/11/50/638191150.db2.gz HVAWPIRYLQKJOJ-LBPRGKRZSA-N 1 2 377.492 -0.049 20 0 GBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854835098 638193392 /nfs/dbraw/zinc/19/33/92/638193392.db2.gz YZJZYYFBJSNWMU-LLVKDONJSA-N 1 2 377.492 -0.295 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854835098 638193385 /nfs/dbraw/zinc/19/33/85/638193385.db2.gz YZJZYYFBJSNWMU-LLVKDONJSA-N 1 2 377.492 -0.295 20 0 GBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854835099 638193186 /nfs/dbraw/zinc/19/31/86/638193186.db2.gz YZJZYYFBJSNWMU-NSHDSACASA-N 1 2 377.492 -0.295 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000854835099 638193177 /nfs/dbraw/zinc/19/31/77/638193177.db2.gz YZJZYYFBJSNWMU-NSHDSACASA-N 1 2 377.492 -0.295 20 0 GBADLO CNS(=O)(=O)CC[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000856732501 638203766 /nfs/dbraw/zinc/20/37/66/638203766.db2.gz SVPKQWJVXAKBHC-UHFFFAOYSA-N 1 2 376.504 -0.271 20 0 GBADLO CN(OCC(F)(F)F)C(=O)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000856763317 638204354 /nfs/dbraw/zinc/20/43/54/638204354.db2.gz HFBOOLWPKYWTAQ-UHFFFAOYSA-N 1 2 377.385 -0.420 20 0 GBADLO COc1cc2c(cc1Br)=NC(=O)C=2NNCCC[NH+]1CCOCC1 ZINC000857209593 638206864 /nfs/dbraw/zinc/20/68/64/638206864.db2.gz JWLJKBHTKNKZHH-UHFFFAOYSA-N 1 2 397.273 -0.458 20 0 GBADLO Cn1nc(Br)c2c1ncn(CC(=O)N[C@@H]1Cc3c[nH+]cn3C1)c2=O ZINC000857888691 638209520 /nfs/dbraw/zinc/20/95/20/638209520.db2.gz ZJIFWKXPNOCLKX-MRVPVSSYSA-N 1 2 392.217 -0.170 20 0 GBADLO Cn1nc(Br)c2c1ncn(CC(=O)N[C@H]1Cc3c[nH+]cn3C1)c2=O ZINC000857888692 638209451 /nfs/dbraw/zinc/20/94/51/638209451.db2.gz ZJIFWKXPNOCLKX-QMMMGPOBSA-N 1 2 392.217 -0.170 20 0 GBADLO Cn1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(Br)n1 ZINC000858138658 638210184 /nfs/dbraw/zinc/21/01/84/638210184.db2.gz HJWBSEWITHBGNN-NEPJUHHUSA-N 1 2 393.307 -0.230 20 0 GBADLO Cn1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(Br)n1 ZINC000858138659 638209980 /nfs/dbraw/zinc/20/99/80/638209980.db2.gz HJWBSEWITHBGNN-NWDGAFQWSA-N 1 2 393.307 -0.230 20 0 GBADLO Cn1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(Br)n1 ZINC000858138660 638210255 /nfs/dbraw/zinc/21/02/55/638210255.db2.gz HJWBSEWITHBGNN-RYUDHWBXSA-N 1 2 393.307 -0.230 20 0 GBADLO Cn1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(Br)n1 ZINC000858138661 638209998 /nfs/dbraw/zinc/20/99/98/638209998.db2.gz HJWBSEWITHBGNN-VXGBXAGGSA-N 1 2 393.307 -0.230 20 0 GBADLO COC[C@]1(C)CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC000858208556 638210919 /nfs/dbraw/zinc/21/09/19/638210919.db2.gz IEFJTENNPMGLFU-INIZCTEOSA-N 1 2 377.507 -0.058 20 0 GBADLO COC[C@@]1(C)CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC000858208557 638210780 /nfs/dbraw/zinc/21/07/80/638210780.db2.gz IEFJTENNPMGLFU-MRXNPFEDSA-N 1 2 377.507 -0.058 20 0 GBADLO CCON(CC)C(=O)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000858208702 638210834 /nfs/dbraw/zinc/21/08/34/638210834.db2.gz NLEROJLGEGSPIV-UHFFFAOYSA-N 1 2 378.495 -0.405 20 0 GBADLO CCCOCCOC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000858896170 638213841 /nfs/dbraw/zinc/21/38/41/638213841.db2.gz BNQPZMYNGYCMLW-UHFFFAOYSA-N 1 2 378.495 -0.341 20 0 GBADLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860845035 638234322 /nfs/dbraw/zinc/23/43/22/638234322.db2.gz CCRWILFRLSIVPE-ILXRZTDVSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860845035 638234314 /nfs/dbraw/zinc/23/43/14/638234314.db2.gz CCRWILFRLSIVPE-ILXRZTDVSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860845037 638234518 /nfs/dbraw/zinc/23/45/18/638234518.db2.gz CCRWILFRLSIVPE-KKUMJFAQSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860845037 638234515 /nfs/dbraw/zinc/23/45/15/638234515.db2.gz CCRWILFRLSIVPE-KKUMJFAQSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860845038 638234376 /nfs/dbraw/zinc/23/43/76/638234376.db2.gz CCRWILFRLSIVPE-QLFBSQMISA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860845038 638234371 /nfs/dbraw/zinc/23/43/71/638234371.db2.gz CCRWILFRLSIVPE-QLFBSQMISA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860845039 638234476 /nfs/dbraw/zinc/23/44/76/638234476.db2.gz CCRWILFRLSIVPE-SOUVJXGZSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860845039 638234474 /nfs/dbraw/zinc/23/44/74/638234474.db2.gz CCRWILFRLSIVPE-SOUVJXGZSA-N 1 2 378.491 -0.063 20 0 GBADLO CC(C)[NH+]1CC(NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1 ZINC000860973636 638234991 /nfs/dbraw/zinc/23/49/91/638234991.db2.gz HZCHSFIMVKKCEM-UHFFFAOYSA-N 1 2 388.877 -0.074 20 0 GBADLO Cc1[nH]c(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)[nH+]c1C ZINC000862217146 638244295 /nfs/dbraw/zinc/24/42/95/638244295.db2.gz YBJYLLKOSKOVIB-CYBMUJFWSA-N 1 2 376.504 -0.339 20 0 GBADLO Cc1[nH]c(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)[nH+]c1C ZINC000862217147 638244434 /nfs/dbraw/zinc/24/44/34/638244434.db2.gz YBJYLLKOSKOVIB-ZDUSSCGKSA-N 1 2 376.504 -0.339 20 0 GBADLO O=C1N=c2cc(Br)c(F)cc2=C1NNCCC[NH+]1CCOCC1 ZINC000863111277 638252157 /nfs/dbraw/zinc/25/21/57/638252157.db2.gz VDEOAPIONXCWQH-UHFFFAOYSA-N 1 2 385.237 -0.327 20 0 GBADLO Cn1[n-]c(Br)c2c(=NCC[NH2+]C[C@@H](O)C[NH+]3CCCC3)ncnc1-2 ZINC000863553132 638255231 /nfs/dbraw/zinc/25/52/31/638255231.db2.gz VLOUHDKHNHPYJJ-LLVKDONJSA-N 1 2 398.309 -0.043 20 0 GBADLO Cn1[n-]c(Br)c2c(=NCC[NH2+]C[C@H](O)C[NH+]3CCCC3)ncnc1-2 ZINC000863553133 638255127 /nfs/dbraw/zinc/25/51/27/638255127.db2.gz VLOUHDKHNHPYJJ-NSHDSACASA-N 1 2 398.309 -0.043 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=S)NCCNS(C)(=O)=O)CC1 ZINC000865263408 638261261 /nfs/dbraw/zinc/26/12/61/638261261.db2.gz KQEUUOPHJIBEFE-UHFFFAOYSA-N 1 2 394.563 -0.194 20 0 GBADLO O=S(=O)(CC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)N1CCSCC1 ZINC000865455713 638261027 /nfs/dbraw/zinc/26/10/27/638261027.db2.gz AIAUIDNLYNZECD-AWEZNQCLSA-N 1 2 375.520 -0.075 20 0 GBADLO O=S(=O)(CC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)N1CCSCC1 ZINC000865455714 638261081 /nfs/dbraw/zinc/26/10/81/638261081.db2.gz AIAUIDNLYNZECD-CQSZACIVSA-N 1 2 375.520 -0.075 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 ZINC000865663258 638261636 /nfs/dbraw/zinc/26/16/36/638261636.db2.gz UEKJJAAVPJCFLT-NEPJUHHUSA-N 1 2 388.408 -0.042 20 0 GBADLO O=C(/C=C\C[NH+]1CCOCC1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000865716229 638261799 /nfs/dbraw/zinc/26/17/99/638261799.db2.gz OPQORTNPDSDQSU-QTLSWZBMSA-N 1 2 375.491 -0.521 20 0 GBADLO O=C(/C=C/C[NH+]1CCOCC1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000865716230 638261832 /nfs/dbraw/zinc/26/18/32/638261832.db2.gz OPQORTNPDSDQSU-SJDLMVEWSA-N 1 2 375.491 -0.521 20 0 GBADLO O=C(/C=C/C[NH+]1CCOCC1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000865716231 638261688 /nfs/dbraw/zinc/26/16/88/638261688.db2.gz OPQORTNPDSDQSU-UJAVWCLSSA-N 1 2 375.491 -0.521 20 0 GBADLO O=C(/C=C\C[NH+]1CCOCC1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000865716232 638261750 /nfs/dbraw/zinc/26/17/50/638261750.db2.gz OPQORTNPDSDQSU-UYWPIULCSA-N 1 2 375.491 -0.521 20 0 GBADLO Cn1ncc(I)c1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000865868488 638261713 /nfs/dbraw/zinc/26/17/13/638261713.db2.gz PGEVUHFPTDJKMQ-UHFFFAOYSA-N 1 2 389.197 -0.288 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cn1ccc(Br)cc1=O ZINC000866422775 638263153 /nfs/dbraw/zinc/26/31/53/638263153.db2.gz ISRBMCKZJAXANT-CYBMUJFWSA-N 1 2 388.262 -0.238 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cn1ccc(Br)cc1=O ZINC000866422780 638263314 /nfs/dbraw/zinc/26/33/14/638263314.db2.gz ISRBMCKZJAXANT-ZDUSSCGKSA-N 1 2 388.262 -0.238 20 0 GBADLO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866505566 638264486 /nfs/dbraw/zinc/26/44/86/638264486.db2.gz OWSCTWCJDSOZSX-UHFFFAOYSA-N 1 2 380.268 -0.433 20 0 GBADLO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866524993 638264545 /nfs/dbraw/zinc/26/45/45/638264545.db2.gz MIXXDOCZVDZKBU-UHFFFAOYSA-N 1 2 380.268 -0.385 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(OS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000866727856 638265956 /nfs/dbraw/zinc/26/59/56/638265956.db2.gz MMGJZEYTBBXPQE-CYBMUJFWSA-N 1 2 378.472 -0.024 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(OS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000866727856 638265948 /nfs/dbraw/zinc/26/59/48/638265948.db2.gz MMGJZEYTBBXPQE-CYBMUJFWSA-N 1 2 378.472 -0.024 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(OS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000866727857 638266202 /nfs/dbraw/zinc/26/62/02/638266202.db2.gz MMGJZEYTBBXPQE-ZDUSSCGKSA-N 1 2 378.472 -0.024 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(OS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000866727857 638266193 /nfs/dbraw/zinc/26/61/93/638266193.db2.gz MMGJZEYTBBXPQE-ZDUSSCGKSA-N 1 2 378.472 -0.024 20 0 GBADLO Cn1ncc(S(=O)(=O)NCC(F)(F)C[NH3+])c1I ZINC000866755824 638266915 /nfs/dbraw/zinc/26/69/15/638266915.db2.gz LRODOVVHMBNDLV-UHFFFAOYSA-N 1 2 380.158 -0.103 20 0 GBADLO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866755854 638266851 /nfs/dbraw/zinc/26/68/51/638266851.db2.gz MMOWGMNRJDHMOH-SECBINFHSA-N 1 2 392.279 -0.243 20 0 GBADLO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866755855 638266717 /nfs/dbraw/zinc/26/67/17/638266717.db2.gz MMOWGMNRJDHMOH-VIFPVBQESA-N 1 2 392.279 -0.243 20 0 GBADLO CCOC(=O)C1(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCC1 ZINC000866762338 638266820 /nfs/dbraw/zinc/26/68/20/638266820.db2.gz PBPOTSXNLWMBRJ-UHFFFAOYSA-N 1 2 375.491 -0.056 20 0 GBADLO O=S(=O)(N=S1(=O)CCCC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000866762491 638266902 /nfs/dbraw/zinc/26/69/02/638266902.db2.gz STNYPLHNTBZIOD-JTQLQIEISA-N 1 2 378.442 -0.081 20 0 GBADLO O=S(=O)(N=S1(=O)CCCC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000866762492 638267548 /nfs/dbraw/zinc/26/75/48/638267548.db2.gz STNYPLHNTBZIOD-SNVBAGLBSA-N 1 2 378.442 -0.081 20 0 GBADLO Cn1nc(I)cc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000866860976 637360773 /nfs/dbraw/zinc/36/07/73/637360773.db2.gz CHVHVSQXAXNOOQ-SECBINFHSA-N 1 2 375.214 -0.246 20 0 GBADLO Cn1nc(I)cc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000866860977 637360451 /nfs/dbraw/zinc/36/04/51/637360451.db2.gz CHVHVSQXAXNOOQ-VIFPVBQESA-N 1 2 375.214 -0.246 20 0 GBADLO CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC[C@@H]1C[NH+]3CCN1CC3)=NO2 ZINC000866861352 1072288394 /nfs/dbraw/zinc/28/83/94/1072288394.db2.gz MFXVWWYYGKKQKN-CYBMUJFWSA-N 1 2 379.461 -0.132 20 0 GBADLO CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC[C@H]1C[NH+]3CCN1CC3)=NO2 ZINC000866861353 1072288226 /nfs/dbraw/zinc/28/82/26/1072288226.db2.gz MFXVWWYYGKKQKN-ZDUSSCGKSA-N 1 2 379.461 -0.132 20 0 GBADLO CCOC(=O)C1(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCC1 ZINC000866961425 637418021 /nfs/dbraw/zinc/41/80/21/637418021.db2.gz CDFOZOHTVGPUBQ-UHFFFAOYSA-N 1 2 375.491 -0.102 20 0 GBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866962478 637418854 /nfs/dbraw/zinc/41/88/54/637418854.db2.gz MMEJZQXTNODAIS-UHFFFAOYSA-N 1 2 394.295 -0.043 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)CC1 ZINC000867294125 638042748 /nfs/dbraw/zinc/04/27/48/638042748.db2.gz CUBQVALTPCEBIA-UHFFFAOYSA-N 1 2 376.479 -0.731 20 0 GBADLO O=S(=O)(N1CCC2(CC1)OCCO2)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000867329207 638051678 /nfs/dbraw/zinc/05/16/78/638051678.db2.gz UNKVUYYGKNXPDK-HNNXBMFYSA-N 1 2 375.491 -0.133 20 0 GBADLO O=S(=O)(N1CCC2(CC1)OCCO2)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000867329208 638051571 /nfs/dbraw/zinc/05/15/71/638051571.db2.gz UNKVUYYGKNXPDK-OAHLLOKOSA-N 1 2 375.491 -0.133 20 0 GBADLO C[NH+]1CCC(CNS(=O)(=O)N=S2(=O)CCCC2)(N2CCOCC2)CC1 ZINC000867400839 638065167 /nfs/dbraw/zinc/06/51/67/638065167.db2.gz FUOUXMDRXICRMW-UHFFFAOYSA-N 1 2 394.563 -0.121 20 0 GBADLO CC[S@@](C)(=O)=NS(=O)(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000867402240 638067153 /nfs/dbraw/zinc/06/71/53/638067153.db2.gz RHFHPVMBZZMWDH-HSZRJFAPSA-N 1 2 382.552 -0.265 20 0 GBADLO CC[S@](C)(=O)=NS(=O)(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000867402241 638066920 /nfs/dbraw/zinc/06/69/20/638066920.db2.gz RHFHPVMBZZMWDH-QHCPKHFHSA-N 1 2 382.552 -0.265 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2nc[nH]c2Br)CC[N@@H+](C)C1 ZINC000867402749 638067859 /nfs/dbraw/zinc/06/78/59/638067859.db2.gz KFXURVUEDSMWDB-MRVPVSSYSA-N 1 2 381.252 -0.103 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2nc[nH]c2Br)CC[N@H+](C)C1 ZINC000867402749 638067851 /nfs/dbraw/zinc/06/78/51/638067851.db2.gz KFXURVUEDSMWDB-MRVPVSSYSA-N 1 2 381.252 -0.103 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2nc[nH]c2Br)CC[N@@H+](C)C1 ZINC000867402750 638067818 /nfs/dbraw/zinc/06/78/18/638067818.db2.gz KFXURVUEDSMWDB-QMMMGPOBSA-N 1 2 381.252 -0.103 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2nc[nH]c2Br)CC[N@H+](C)C1 ZINC000867402750 638067815 /nfs/dbraw/zinc/06/78/15/638067815.db2.gz KFXURVUEDSMWDB-QMMMGPOBSA-N 1 2 381.252 -0.103 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cn(C)nc2Br)CC[N@@H+](C)C1 ZINC000867403557 638067743 /nfs/dbraw/zinc/06/77/43/638067743.db2.gz PVJGQLQSKSEHLJ-SECBINFHSA-N 1 2 395.279 -0.092 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cn(C)nc2Br)CC[N@H+](C)C1 ZINC000867403557 638067741 /nfs/dbraw/zinc/06/77/41/638067741.db2.gz PVJGQLQSKSEHLJ-SECBINFHSA-N 1 2 395.279 -0.092 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cn(C)nc2Br)CC[N@@H+](C)C1 ZINC000867403558 638067638 /nfs/dbraw/zinc/06/76/38/638067638.db2.gz PVJGQLQSKSEHLJ-VIFPVBQESA-N 1 2 395.279 -0.092 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cn(C)nc2Br)CC[N@H+](C)C1 ZINC000867403558 638067632 /nfs/dbraw/zinc/06/76/32/638067632.db2.gz PVJGQLQSKSEHLJ-VIFPVBQESA-N 1 2 395.279 -0.092 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cnn(C)c2Br)CC[N@@H+](C)C1 ZINC000867403855 638067837 /nfs/dbraw/zinc/06/78/37/638067837.db2.gz XXKYQCNLANZHFT-SECBINFHSA-N 1 2 395.279 -0.092 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cnn(C)c2Br)CC[N@H+](C)C1 ZINC000867403855 638067830 /nfs/dbraw/zinc/06/78/30/638067830.db2.gz XXKYQCNLANZHFT-SECBINFHSA-N 1 2 395.279 -0.092 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cnn(C)c2Br)CC[N@@H+](C)C1 ZINC000867403856 638067714 /nfs/dbraw/zinc/06/77/14/638067714.db2.gz XXKYQCNLANZHFT-VIFPVBQESA-N 1 2 395.279 -0.092 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cnn(C)c2Br)CC[N@H+](C)C1 ZINC000867403856 638067708 /nfs/dbraw/zinc/06/77/08/638067708.db2.gz XXKYQCNLANZHFT-VIFPVBQESA-N 1 2 395.279 -0.092 20 0 GBADLO CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000867462898 638269622 /nfs/dbraw/zinc/26/96/22/638269622.db2.gz JCNLIQKWGLBWAE-CQSZACIVSA-N 1 2 375.491 -0.066 20 0 GBADLO CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000867462898 638269617 /nfs/dbraw/zinc/26/96/17/638269617.db2.gz JCNLIQKWGLBWAE-CQSZACIVSA-N 1 2 375.491 -0.066 20 0 GBADLO Cn1ncc(I)c1CNC(=O)CN1CC[NH2+]CC1=O ZINC000868053511 638274000 /nfs/dbraw/zinc/27/40/00/638274000.db2.gz ZTKJHVJDNSYRSM-UHFFFAOYSA-N 1 2 377.186 -0.927 20 0 GBADLO CS[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000868986766 638275941 /nfs/dbraw/zinc/27/59/41/638275941.db2.gz ZPDCFHSVBOKXEM-HDJSIYSDSA-N 1 2 391.563 -0.300 20 0 GBADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000869409516 638276618 /nfs/dbraw/zinc/27/66/18/638276618.db2.gz FCUJFWCJHRCCCW-AWEZNQCLSA-N 1 2 375.491 -0.056 20 0 GBADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000869409516 638276616 /nfs/dbraw/zinc/27/66/16/638276616.db2.gz FCUJFWCJHRCCCW-AWEZNQCLSA-N 1 2 375.491 -0.056 20 0 GBADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000869409517 638276657 /nfs/dbraw/zinc/27/66/57/638276657.db2.gz FCUJFWCJHRCCCW-CQSZACIVSA-N 1 2 375.491 -0.056 20 0 GBADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000869409517 638276656 /nfs/dbraw/zinc/27/66/56/638276656.db2.gz FCUJFWCJHRCCCW-CQSZACIVSA-N 1 2 375.491 -0.056 20 0 GBADLO C[N@@H+](CC(=O)OCC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCSC1 ZINC000869457453 638277444 /nfs/dbraw/zinc/27/74/44/638277444.db2.gz JZMLUCIMIXMKNQ-CYBMUJFWSA-N 1 2 393.531 -0.493 20 0 GBADLO C[N@H+](CC(=O)OCC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCSC1 ZINC000869457453 638277440 /nfs/dbraw/zinc/27/74/40/638277440.db2.gz JZMLUCIMIXMKNQ-CYBMUJFWSA-N 1 2 393.531 -0.493 20 0 GBADLO C[N@@H+](CC(=O)OCC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCSC1 ZINC000869457455 638277165 /nfs/dbraw/zinc/27/71/65/638277165.db2.gz JZMLUCIMIXMKNQ-ZDUSSCGKSA-N 1 2 393.531 -0.493 20 0 GBADLO C[N@H+](CC(=O)OCC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCSC1 ZINC000869457455 638277159 /nfs/dbraw/zinc/27/71/59/638277159.db2.gz JZMLUCIMIXMKNQ-ZDUSSCGKSA-N 1 2 393.531 -0.493 20 0 GBADLO CS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000870056153 638277858 /nfs/dbraw/zinc/27/78/58/638277858.db2.gz NPHDWYBSHARTEB-GJZGRUSLSA-N 1 2 375.491 -0.782 20 0 GBADLO CS(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000870056154 638277811 /nfs/dbraw/zinc/27/78/11/638277811.db2.gz NPHDWYBSHARTEB-LSDHHAIUSA-N 1 2 375.491 -0.782 20 0 GBADLO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870066059 638277981 /nfs/dbraw/zinc/27/79/81/638277981.db2.gz CDPMOOTWZMSMSZ-KBPBESRZSA-N 1 2 377.507 -0.490 20 0 GBADLO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870066066 638277968 /nfs/dbraw/zinc/27/79/68/638277968.db2.gz CDPMOOTWZMSMSZ-KGLIPLIRSA-N 1 2 377.507 -0.490 20 0 GBADLO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870066067 638277761 /nfs/dbraw/zinc/27/77/61/638277761.db2.gz CDPMOOTWZMSMSZ-UONOGXRCSA-N 1 2 377.507 -0.490 20 0 GBADLO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870066069 638277824 /nfs/dbraw/zinc/27/78/24/638277824.db2.gz CDPMOOTWZMSMSZ-ZIAGYGMSSA-N 1 2 377.507 -0.490 20 0 GBADLO O=C(CNS(=O)(=O)c1cccs1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870072936 638277872 /nfs/dbraw/zinc/27/78/72/638277872.db2.gz MGLCGZDXWOBLKX-CYBMUJFWSA-N 1 2 389.499 -0.414 20 0 GBADLO O=C(CNS(=O)(=O)c1cccs1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870072938 638277707 /nfs/dbraw/zinc/27/77/07/638277707.db2.gz MGLCGZDXWOBLKX-ZDUSSCGKSA-N 1 2 389.499 -0.414 20 0 GBADLO CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870074274 638277727 /nfs/dbraw/zinc/27/77/27/638277727.db2.gz ZBMVMULLICBOJZ-CABCVRRESA-N 1 2 375.491 -0.640 20 0 GBADLO CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870074275 638277942 /nfs/dbraw/zinc/27/79/42/638277942.db2.gz ZBMVMULLICBOJZ-GJZGRUSLSA-N 1 2 375.491 -0.640 20 0 GBADLO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870074276 638278478 /nfs/dbraw/zinc/27/84/78/638278478.db2.gz ZBMVMULLICBOJZ-HUUCEWRRSA-N 1 2 375.491 -0.640 20 0 GBADLO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870074277 638278555 /nfs/dbraw/zinc/27/85/55/638278555.db2.gz ZBMVMULLICBOJZ-LSDHHAIUSA-N 1 2 375.491 -0.640 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 ZINC000871542032 638279663 /nfs/dbraw/zinc/27/96/63/638279663.db2.gz VJODGTKAIFCELH-UHFFFAOYSA-N 1 2 375.491 -0.056 20 0 GBADLO CN1CC[C@H](C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)S1(=O)=O ZINC000871545155 638279685 /nfs/dbraw/zinc/27/96/85/638279685.db2.gz FJNCEXGPJMQKFH-CYBMUJFWSA-N 1 2 375.491 -0.057 20 0 GBADLO CN1CC[C@@H](C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)S1(=O)=O ZINC000871545156 638280291 /nfs/dbraw/zinc/28/02/91/638280291.db2.gz FJNCEXGPJMQKFH-ZDUSSCGKSA-N 1 2 375.491 -0.057 20 0 GBADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000871971096 638280345 /nfs/dbraw/zinc/28/03/45/638280345.db2.gz LPHYVYQVNBSLTH-HNNXBMFYSA-N 1 2 379.523 -0.517 20 0 GBADLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000871971099 638280430 /nfs/dbraw/zinc/28/04/30/638280430.db2.gz LPHYVYQVNBSLTH-OAHLLOKOSA-N 1 2 379.523 -0.517 20 0 GBADLO COC(=O)[C@@H](Cc1cncs1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000872542914 638282988 /nfs/dbraw/zinc/28/29/88/638282988.db2.gz DUEVLGLGEHECDD-CYBMUJFWSA-N 1 2 377.488 -0.131 20 0 GBADLO COC(=O)[C@H](Cc1cncs1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000872542916 638283129 /nfs/dbraw/zinc/28/31/29/638283129.db2.gz DUEVLGLGEHECDD-ZDUSSCGKSA-N 1 2 377.488 -0.131 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000872571446 638282967 /nfs/dbraw/zinc/28/29/67/638282967.db2.gz UENJKPMDSWOHAW-GOOCMWNKSA-N 1 2 380.532 -0.016 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ncc(Cl)s1 ZINC000872884377 638285095 /nfs/dbraw/zinc/28/50/95/638285095.db2.gz NLYDIEOANVCYKF-JTQLQIEISA-N 1 2 376.866 -0.436 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ncc(Cl)s1 ZINC000872884378 638284966 /nfs/dbraw/zinc/28/49/66/638284966.db2.gz NLYDIEOANVCYKF-SNVBAGLBSA-N 1 2 376.866 -0.436 20 0 GBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000874700136 638287090 /nfs/dbraw/zinc/28/70/90/638287090.db2.gz NNFUAOYWNFUOIB-JTQLQIEISA-N 1 2 389.250 -0.062 20 0 GBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000874700136 638287084 /nfs/dbraw/zinc/28/70/84/638287084.db2.gz NNFUAOYWNFUOIB-JTQLQIEISA-N 1 2 389.250 -0.062 20 0 GBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000874700138 638286963 /nfs/dbraw/zinc/28/69/63/638286963.db2.gz NNFUAOYWNFUOIB-SNVBAGLBSA-N 1 2 389.250 -0.062 20 0 GBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000874700138 638286958 /nfs/dbraw/zinc/28/69/58/638286958.db2.gz NNFUAOYWNFUOIB-SNVBAGLBSA-N 1 2 389.250 -0.062 20 0 GBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000875253936 638288649 /nfs/dbraw/zinc/28/86/49/638288649.db2.gz PDCUCLPLWJRKGX-AWEZNQCLSA-N 1 2 394.563 -0.225 20 0 GBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000875253936 638288645 /nfs/dbraw/zinc/28/86/45/638288645.db2.gz PDCUCLPLWJRKGX-AWEZNQCLSA-N 1 2 394.563 -0.225 20 0 GBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000875253937 638288462 /nfs/dbraw/zinc/28/84/62/638288462.db2.gz PDCUCLPLWJRKGX-CQSZACIVSA-N 1 2 394.563 -0.225 20 0 GBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000875253937 638288455 /nfs/dbraw/zinc/28/84/55/638288455.db2.gz PDCUCLPLWJRKGX-CQSZACIVSA-N 1 2 394.563 -0.225 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875729928 638289308 /nfs/dbraw/zinc/28/93/08/638289308.db2.gz FOERPYFNQYHJFF-KBPBESRZSA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875729929 638289042 /nfs/dbraw/zinc/28/90/42/638289042.db2.gz FOERPYFNQYHJFF-KGLIPLIRSA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875729932 638289354 /nfs/dbraw/zinc/28/93/54/638289354.db2.gz FOERPYFNQYHJFF-UONOGXRCSA-N 1 2 375.491 -0.448 20 0 GBADLO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875729937 638288994 /nfs/dbraw/zinc/28/89/94/638288994.db2.gz FOERPYFNQYHJFF-ZIAGYGMSSA-N 1 2 375.491 -0.448 20 0 GBADLO O=C(CNC(=O)c1cnc(I)c(O)c1)N1CC[NH2+]CC1 ZINC000876512057 638291107 /nfs/dbraw/zinc/29/11/07/638291107.db2.gz DYOHFIJVGWGJBS-UHFFFAOYSA-N 1 2 390.181 -0.447 20 0 GBADLO C[C@@H](C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CC[NH2+]CC1=O ZINC000876660940 638291992 /nfs/dbraw/zinc/29/19/92/638291992.db2.gz IDENANOSXCOFEA-JTQLQIEISA-N 1 2 382.433 -0.813 20 0 GBADLO C[C@H](C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CC[NH2+]CC1=O ZINC000876660941 638291832 /nfs/dbraw/zinc/29/18/32/638291832.db2.gz IDENANOSXCOFEA-SNVBAGLBSA-N 1 2 382.433 -0.813 20 0 GBADLO C[C@H](C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CC[NH2+]CC1=O ZINC000876692117 638291865 /nfs/dbraw/zinc/29/18/65/638291865.db2.gz XBTXUMZTKVSZSD-SECBINFHSA-N 1 2 386.396 -0.763 20 0 GBADLO C[C@@H](C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CC[NH2+]CC1=O ZINC000876692118 638291963 /nfs/dbraw/zinc/29/19/63/638291963.db2.gz XBTXUMZTKVSZSD-VIFPVBQESA-N 1 2 386.396 -0.763 20 0 GBADLO C[C@H](C(=O)NCc1c(I)cnn1C)N1CC[NH2+]CC1=O ZINC000877291899 638292835 /nfs/dbraw/zinc/29/28/35/638292835.db2.gz QNJNKMMUJZXBSO-MRVPVSSYSA-N 1 2 391.213 -0.539 20 0 GBADLO C[C@@H](C(=O)NCc1c(I)cnn1C)N1CC[NH2+]CC1=O ZINC000877291900 638292873 /nfs/dbraw/zinc/29/28/73/638292873.db2.gz QNJNKMMUJZXBSO-QMMMGPOBSA-N 1 2 391.213 -0.539 20 0 GBADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000877930672 638293648 /nfs/dbraw/zinc/29/36/48/638293648.db2.gz PMSQXYUUVCPLIA-HNNXBMFYSA-N 1 2 377.507 -0.763 20 0 GBADLO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H](O)CC2(O)CCCC2)CC1 ZINC000877930673 638293508 /nfs/dbraw/zinc/29/35/08/638293508.db2.gz PMSQXYUUVCPLIA-OAHLLOKOSA-N 1 2 377.507 -0.763 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)N=[S@@](C)(=O)N(C)C)CC1 ZINC000877955824 638293379 /nfs/dbraw/zinc/29/33/79/638293379.db2.gz FAVKTLXVKHHQRY-RUZDIDTESA-N 1 2 375.539 -0.037 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)N=[S@@](C)(=O)N(C)C)CC1 ZINC000877955824 638293375 /nfs/dbraw/zinc/29/33/75/638293375.db2.gz FAVKTLXVKHHQRY-RUZDIDTESA-N 1 2 375.539 -0.037 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)N=[S@](C)(=O)N(C)C)CC1 ZINC000877955825 638293557 /nfs/dbraw/zinc/29/35/57/638293557.db2.gz FAVKTLXVKHHQRY-VWLOTQADSA-N 1 2 375.539 -0.037 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)N=[S@](C)(=O)N(C)C)CC1 ZINC000877955825 638293556 /nfs/dbraw/zinc/29/35/56/638293556.db2.gz FAVKTLXVKHHQRY-VWLOTQADSA-N 1 2 375.539 -0.037 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C2OCCO2)CC1 ZINC000878046930 638293553 /nfs/dbraw/zinc/29/35/53/638293553.db2.gz MPEMVVSGVYPUMF-AWEZNQCLSA-N 1 2 375.491 -0.246 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2C2OCCO2)CC1 ZINC000878046930 638293552 /nfs/dbraw/zinc/29/35/52/638293552.db2.gz MPEMVVSGVYPUMF-AWEZNQCLSA-N 1 2 375.491 -0.246 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C2OCCO2)CC1 ZINC000878046931 638293585 /nfs/dbraw/zinc/29/35/85/638293585.db2.gz MPEMVVSGVYPUMF-CQSZACIVSA-N 1 2 375.491 -0.246 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)CC1 ZINC000878046931 638293580 /nfs/dbraw/zinc/29/35/80/638293580.db2.gz MPEMVVSGVYPUMF-CQSZACIVSA-N 1 2 375.491 -0.246 20 0 GBADLO O=C(CN1CCCCS1(=O)=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000878383393 638295020 /nfs/dbraw/zinc/29/50/20/638295020.db2.gz PDFUQIZTSUQEPE-HNNXBMFYSA-N 1 2 377.532 -0.264 20 0 GBADLO O=C(CN1CCCCS1(=O)=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000878383394 638294956 /nfs/dbraw/zinc/29/49/56/638294956.db2.gz PDFUQIZTSUQEPE-OAHLLOKOSA-N 1 2 377.532 -0.264 20 0 GBADLO CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000878579902 638295675 /nfs/dbraw/zinc/29/56/75/638295675.db2.gz BFCTUBSYEOHCCD-HNNXBMFYSA-N 1 2 376.523 -0.483 20 0 GBADLO CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000878579903 638295550 /nfs/dbraw/zinc/29/55/50/638295550.db2.gz BFCTUBSYEOHCCD-OAHLLOKOSA-N 1 2 376.523 -0.483 20 0 GBADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000878664141 638295582 /nfs/dbraw/zinc/29/55/82/638295582.db2.gz YWJFNRAOBPEORF-CYBMUJFWSA-N 1 2 376.479 -0.701 20 0 GBADLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000878664141 638295579 /nfs/dbraw/zinc/29/55/79/638295579.db2.gz YWJFNRAOBPEORF-CYBMUJFWSA-N 1 2 376.479 -0.701 20 0 GBADLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000878664142 638295613 /nfs/dbraw/zinc/29/56/13/638295613.db2.gz YWJFNRAOBPEORF-ZDUSSCGKSA-N 1 2 376.479 -0.701 20 0 GBADLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000878664142 638295610 /nfs/dbraw/zinc/29/56/10/638295610.db2.gz YWJFNRAOBPEORF-ZDUSSCGKSA-N 1 2 376.479 -0.701 20 0 GBADLO O=C(CN1CCCCS1(=O)=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000879160261 638296204 /nfs/dbraw/zinc/29/62/04/638296204.db2.gz VBOUMPJVILQEGJ-HNNXBMFYSA-N 1 2 375.491 -0.638 20 0 GBADLO O=C(CN1CCCCS1(=O)=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000879160262 638296307 /nfs/dbraw/zinc/29/63/07/638296307.db2.gz VBOUMPJVILQEGJ-OAHLLOKOSA-N 1 2 375.491 -0.638 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1c(Br)cnn1C ZINC000879306287 638297060 /nfs/dbraw/zinc/29/70/60/638297060.db2.gz CMODQIIZISEJDC-LLVKDONJSA-N 1 2 375.267 -0.123 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1c(Br)cnn1C ZINC000879306288 638297160 /nfs/dbraw/zinc/29/71/60/638297160.db2.gz CMODQIIZISEJDC-NSHDSACASA-N 1 2 375.267 -0.123 20 0 GBADLO CNS(=O)(=O)c1ccc(N2CC[NH+](CCS(=O)(=O)N(C)C)CC2)cc1 ZINC000880266346 638299273 /nfs/dbraw/zinc/29/92/73/638299273.db2.gz HZPUVLQKUHUJNZ-UHFFFAOYSA-N 1 2 390.531 -0.392 20 0 GBADLO CNS(=O)(=O)c1ccc(N2CC[NH+](CCNS(C)(=O)=O)CC2)cc1 ZINC000880267200 638299183 /nfs/dbraw/zinc/29/91/83/638299183.db2.gz KGVRVXDDXKJFLM-UHFFFAOYSA-N 1 2 376.504 -0.734 20 0 GBADLO CNS(=O)(=O)CC[NH+]1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000880268213 638299103 /nfs/dbraw/zinc/29/91/03/638299103.db2.gz PZBGPTOZKFYLRJ-UHFFFAOYSA-N 1 2 376.504 -0.734 20 0 GBADLO COCCN(C(=O)C[N@@H+](C)[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000880426912 638299114 /nfs/dbraw/zinc/29/91/14/638299114.db2.gz XZQJMHNBQSPWMN-KFWWJZLASA-N 1 2 378.491 -0.616 20 0 GBADLO COCCN(C(=O)C[N@H+](C)[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000880426912 638299110 /nfs/dbraw/zinc/29/91/10/638299110.db2.gz XZQJMHNBQSPWMN-KFWWJZLASA-N 1 2 378.491 -0.616 20 0 GBADLO COCCN(C(=O)C[N@@H+](C)[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000880426913 638299205 /nfs/dbraw/zinc/29/92/05/638299205.db2.gz XZQJMHNBQSPWMN-RBSFLKMASA-N 1 2 378.491 -0.616 20 0 GBADLO COCCN(C(=O)C[N@H+](C)[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000880426913 638299200 /nfs/dbraw/zinc/29/92/00/638299200.db2.gz XZQJMHNBQSPWMN-RBSFLKMASA-N 1 2 378.491 -0.616 20 0 GBADLO COCCN(C(=O)C[N@@H+](C)[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 ZINC000880426915 638299055 /nfs/dbraw/zinc/29/90/55/638299055.db2.gz XZQJMHNBQSPWMN-RRFJBIMHSA-N 1 2 378.491 -0.616 20 0 GBADLO COCCN(C(=O)C[N@H+](C)[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 ZINC000880426915 638299048 /nfs/dbraw/zinc/29/90/48/638299048.db2.gz XZQJMHNBQSPWMN-RRFJBIMHSA-N 1 2 378.491 -0.616 20 0 GBADLO COCCN(C(=O)C[N@@H+](C)[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 ZINC000880426917 638299279 /nfs/dbraw/zinc/29/92/79/638299279.db2.gz XZQJMHNBQSPWMN-ZNMIVQPWSA-N 1 2 378.491 -0.616 20 0 GBADLO COCCN(C(=O)C[N@H+](C)[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 ZINC000880426917 638299278 /nfs/dbraw/zinc/29/92/78/638299278.db2.gz XZQJMHNBQSPWMN-ZNMIVQPWSA-N 1 2 378.491 -0.616 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CN1CCCCS1(=O)=O ZINC000880831759 638300117 /nfs/dbraw/zinc/30/01/17/638300117.db2.gz QVIBLNPLOXOMPC-INIZCTEOSA-N 1 2 375.491 -0.856 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CN1CCCCS1(=O)=O ZINC000880831759 638300113 /nfs/dbraw/zinc/30/01/13/638300113.db2.gz QVIBLNPLOXOMPC-INIZCTEOSA-N 1 2 375.491 -0.856 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CN1CCCCS1(=O)=O ZINC000880831760 638300013 /nfs/dbraw/zinc/30/00/13/638300013.db2.gz QVIBLNPLOXOMPC-MRXNPFEDSA-N 1 2 375.491 -0.856 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CN1CCCCS1(=O)=O ZINC000880831760 638300005 /nfs/dbraw/zinc/30/00/05/638300005.db2.gz QVIBLNPLOXOMPC-MRXNPFEDSA-N 1 2 375.491 -0.856 20 0 GBADLO CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000881772661 638300478 /nfs/dbraw/zinc/30/04/78/638300478.db2.gz PIILIARWEROJQQ-UHFFFAOYSA-N 1 2 379.508 -0.583 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000881789923 638301148 /nfs/dbraw/zinc/30/11/48/638301148.db2.gz PIPWDUGJWMECRH-UHFFFAOYSA-N 1 2 376.504 -0.139 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000881807571 638301911 /nfs/dbraw/zinc/30/19/11/638301911.db2.gz ZCSNXWWDJSXOEI-UHFFFAOYSA-N 1 2 381.545 -0.083 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000881807571 638301906 /nfs/dbraw/zinc/30/19/06/638301906.db2.gz ZCSNXWWDJSXOEI-UHFFFAOYSA-N 1 2 381.545 -0.083 20 0 GBADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)CCS(=O)(=O)N(C)C)C[C@@H](C)O1 ZINC000881811441 638301527 /nfs/dbraw/zinc/30/15/27/638301527.db2.gz BUVTXFZJWWLTMO-KFWWJZLASA-N 1 2 397.563 -0.219 20 0 GBADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000881811443 638301987 /nfs/dbraw/zinc/30/19/87/638301987.db2.gz BUVTXFZJWWLTMO-QLFBSQMISA-N 1 2 397.563 -0.219 20 0 GBADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000881811443 638301984 /nfs/dbraw/zinc/30/19/84/638301984.db2.gz BUVTXFZJWWLTMO-QLFBSQMISA-N 1 2 397.563 -0.219 20 0 GBADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)CCS(=O)(=O)N(C)C)C[C@@H](C)O1 ZINC000881811445 638301692 /nfs/dbraw/zinc/30/16/92/638301692.db2.gz BUVTXFZJWWLTMO-RBSFLKMASA-N 1 2 397.563 -0.219 20 0 GBADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000881811446 638301572 /nfs/dbraw/zinc/30/15/72/638301572.db2.gz BUVTXFZJWWLTMO-ZNMIVQPWSA-N 1 2 397.563 -0.219 20 0 GBADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)CCS(=O)(=O)N(C)C)C[C@H](C)O1 ZINC000881811446 638301563 /nfs/dbraw/zinc/30/15/63/638301563.db2.gz BUVTXFZJWWLTMO-ZNMIVQPWSA-N 1 2 397.563 -0.219 20 0 GBADLO C[C@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000881981368 638304651 /nfs/dbraw/zinc/30/46/51/638304651.db2.gz KUGBWSIHJDKELR-AWEZNQCLSA-N 1 2 397.563 -0.169 20 0 GBADLO C[C@@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000881981369 638304516 /nfs/dbraw/zinc/30/45/16/638304516.db2.gz KUGBWSIHJDKELR-CQSZACIVSA-N 1 2 397.563 -0.169 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000881991047 638305287 /nfs/dbraw/zinc/30/52/87/638305287.db2.gz DAJVJTZSUWBBRJ-KBPBESRZSA-N 1 2 383.536 -0.559 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000881991048 638305349 /nfs/dbraw/zinc/30/53/49/638305349.db2.gz DAJVJTZSUWBBRJ-KGLIPLIRSA-N 1 2 383.536 -0.559 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000881991049 638305189 /nfs/dbraw/zinc/30/51/89/638305189.db2.gz DAJVJTZSUWBBRJ-UONOGXRCSA-N 1 2 383.536 -0.559 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000881991050 638305219 /nfs/dbraw/zinc/30/52/19/638305219.db2.gz DAJVJTZSUWBBRJ-ZIAGYGMSSA-N 1 2 383.536 -0.559 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000882010055 638306049 /nfs/dbraw/zinc/30/60/49/638306049.db2.gz INSRHPTXJCRAAK-UHFFFAOYSA-N 1 2 385.552 -0.502 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000882159767 638308002 /nfs/dbraw/zinc/30/80/02/638308002.db2.gz FTZFTOUAJMQUBN-AWEZNQCLSA-N 1 2 383.536 -0.748 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000882162692 638308181 /nfs/dbraw/zinc/30/81/81/638308181.db2.gz FTZFTOUAJMQUBN-CQSZACIVSA-N 1 2 383.536 -0.748 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000882414500 638310399 /nfs/dbraw/zinc/31/03/99/638310399.db2.gz ZHWLFSKYEMDOGD-ZIAGYGMSSA-N 1 2 395.547 -0.559 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(OS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)c1 ZINC000882527132 638311121 /nfs/dbraw/zinc/31/11/21/638311121.db2.gz SBUBPSPJDKBCEA-CYBMUJFWSA-N 1 2 378.472 -0.024 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(OS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)c1 ZINC000882527132 638311117 /nfs/dbraw/zinc/31/11/17/638311117.db2.gz SBUBPSPJDKBCEA-CYBMUJFWSA-N 1 2 378.472 -0.024 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(OS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000882527133 638311189 /nfs/dbraw/zinc/31/11/89/638311189.db2.gz SBUBPSPJDKBCEA-ZDUSSCGKSA-N 1 2 378.472 -0.024 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(OS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)c1 ZINC000882527133 638311185 /nfs/dbraw/zinc/31/11/85/638311185.db2.gz SBUBPSPJDKBCEA-ZDUSSCGKSA-N 1 2 378.472 -0.024 20 0 GBADLO COC(=O)[C@H](CC1CCOCC1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000882642781 638311858 /nfs/dbraw/zinc/31/18/58/638311858.db2.gz UIEATIYKMPBYCY-HNNXBMFYSA-N 1 2 378.491 -0.014 20 0 GBADLO COC(=O)[C@@H](CC1CCOCC1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000882642785 638311822 /nfs/dbraw/zinc/31/18/22/638311822.db2.gz UIEATIYKMPBYCY-OAHLLOKOSA-N 1 2 378.491 -0.014 20 0 GBADLO CCN1CC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882765079 638312229 /nfs/dbraw/zinc/31/22/29/638312229.db2.gz OULZMKCMAZDNNK-GJZGRUSLSA-N 1 2 396.579 -0.596 20 0 GBADLO CCN1CC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000882765079 638312220 /nfs/dbraw/zinc/31/22/20/638312220.db2.gz OULZMKCMAZDNNK-GJZGRUSLSA-N 1 2 396.579 -0.596 20 0 GBADLO CCN1CC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@H+]1CC ZINC000882765080 638312315 /nfs/dbraw/zinc/31/23/15/638312315.db2.gz OULZMKCMAZDNNK-HUUCEWRRSA-N 1 2 396.579 -0.596 20 0 GBADLO CCN1CC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@@H+]1CC ZINC000882765080 638312309 /nfs/dbraw/zinc/31/23/09/638312309.db2.gz OULZMKCMAZDNNK-HUUCEWRRSA-N 1 2 396.579 -0.596 20 0 GBADLO CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882799752 638312285 /nfs/dbraw/zinc/31/22/85/638312285.db2.gz NIBWUODPNOZGGN-BSEYFRJRSA-N 1 2 397.567 -0.808 20 0 GBADLO CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882799752 638312279 /nfs/dbraw/zinc/31/22/79/638312279.db2.gz NIBWUODPNOZGGN-BSEYFRJRSA-N 1 2 397.567 -0.808 20 0 GBADLO CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882799753 638312796 /nfs/dbraw/zinc/31/27/96/638312796.db2.gz NIBWUODPNOZGGN-JBEBIEQOSA-N 1 2 397.567 -0.808 20 0 GBADLO CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882799753 638312789 /nfs/dbraw/zinc/31/27/89/638312789.db2.gz NIBWUODPNOZGGN-JBEBIEQOSA-N 1 2 397.567 -0.808 20 0 GBADLO CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882799754 638312726 /nfs/dbraw/zinc/31/27/26/638312726.db2.gz NIBWUODPNOZGGN-LFPIHBKWSA-N 1 2 397.567 -0.808 20 0 GBADLO CN(C)[S@](C)(=O)=NS(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882799754 638312719 /nfs/dbraw/zinc/31/27/19/638312719.db2.gz NIBWUODPNOZGGN-LFPIHBKWSA-N 1 2 397.567 -0.808 20 0 GBADLO CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882799755 638312532 /nfs/dbraw/zinc/31/25/32/638312532.db2.gz NIBWUODPNOZGGN-SHACYNPGSA-N 1 2 397.567 -0.808 20 0 GBADLO CN(C)[S@@](C)(=O)=NS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882799755 638312526 /nfs/dbraw/zinc/31/25/26/638312526.db2.gz NIBWUODPNOZGGN-SHACYNPGSA-N 1 2 397.567 -0.808 20 0 GBADLO CN(CCS(C)(=O)=O)C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883912728 638314591 /nfs/dbraw/zinc/31/45/91/638314591.db2.gz ZVTMCBPQQGSHNE-HNNXBMFYSA-N 1 2 376.523 -0.531 20 0 GBADLO CN(CCS(C)(=O)=O)C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883912729 638314242 /nfs/dbraw/zinc/31/42/42/638314242.db2.gz ZVTMCBPQQGSHNE-OAHLLOKOSA-N 1 2 376.523 -0.531 20 0 GBADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCN2CCS(=O)(=O)CC2)C1 ZINC000886407287 638322697 /nfs/dbraw/zinc/32/26/97/638322697.db2.gz JMGYRPDLWNKHGB-UHFFFAOYSA-N 1 2 387.527 -0.317 20 0 GBADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCN2CCS(=O)(=O)CC2)C1 ZINC000886407287 638322690 /nfs/dbraw/zinc/32/26/90/638322690.db2.gz JMGYRPDLWNKHGB-UHFFFAOYSA-N 1 2 387.527 -0.317 20 0 GBADLO CS(=O)(=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCO1 ZINC000887747244 638325773 /nfs/dbraw/zinc/32/57/73/638325773.db2.gz YTKNAFVWFUNPOH-ILXRZTDVSA-N 1 2 376.475 -0.862 20 0 GBADLO CS(=O)(=O)C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCO1 ZINC000887747245 638325489 /nfs/dbraw/zinc/32/54/89/638325489.db2.gz YTKNAFVWFUNPOH-KFWWJZLASA-N 1 2 376.475 -0.862 20 0 GBADLO C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000887907380 638326223 /nfs/dbraw/zinc/32/62/23/638326223.db2.gz QOPMLBOGZUGJMO-XQQFMLRXSA-N 1 2 375.491 -0.056 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000888858386 638299937 /nfs/dbraw/zinc/29/99/37/638299937.db2.gz WYYKNPCGFCQMKV-CABCVRRESA-N 1 2 375.491 -0.592 20 0 GBADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCS(=O)(=O)N2CCCC2)C1 ZINC000888859037 638299970 /nfs/dbraw/zinc/29/99/70/638299970.db2.gz KZIMEHFJPBPOIY-AWEZNQCLSA-N 1 2 375.491 -0.197 20 0 GBADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCS(=O)(=O)N2CCCC2)C1 ZINC000888859037 638299965 /nfs/dbraw/zinc/29/99/65/638299965.db2.gz KZIMEHFJPBPOIY-AWEZNQCLSA-N 1 2 375.491 -0.197 20 0 GBADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCS(=O)(=O)N2CCCC2)C1 ZINC000888859038 638300077 /nfs/dbraw/zinc/30/00/77/638300077.db2.gz KZIMEHFJPBPOIY-CQSZACIVSA-N 1 2 375.491 -0.197 20 0 GBADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCS(=O)(=O)N2CCCC2)C1 ZINC000888859038 638300072 /nfs/dbraw/zinc/30/00/72/638300072.db2.gz KZIMEHFJPBPOIY-CQSZACIVSA-N 1 2 375.491 -0.197 20 0 GBADLO Cn1c2sc(C(=O)N3CCN(C)CC[N@@H+](C)CC3)cc2c(=O)n(C)c1=O ZINC000888982394 1072408274 /nfs/dbraw/zinc/40/82/74/1072408274.db2.gz QDCFAIIKAUCFNV-UHFFFAOYSA-N 1 2 379.486 -0.382 20 0 GBADLO Cn1c2sc(C(=O)N3CCN(C)CC[N@H+](C)CC3)cc2c(=O)n(C)c1=O ZINC000888982394 1072408270 /nfs/dbraw/zinc/40/82/70/1072408270.db2.gz QDCFAIIKAUCFNV-UHFFFAOYSA-N 1 2 379.486 -0.382 20 0 GBADLO CN1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC[N@H+](C)CC1 ZINC000888997625 1072243831 /nfs/dbraw/zinc/24/38/31/1072243831.db2.gz GUXFLKUALXFUST-UHFFFAOYSA-N 1 2 390.456 -0.051 20 0 GBADLO COC1(C(F)(F)F)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000889075395 1072477045 /nfs/dbraw/zinc/47/70/45/1072477045.db2.gz ONPUSZVSMBAFPE-GFCCVEGCSA-N 1 2 379.379 -0.043 20 0 GBADLO COC1(C(F)(F)F)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000889075396 1072477188 /nfs/dbraw/zinc/47/71/88/1072477188.db2.gz ONPUSZVSMBAFPE-LBPRGKRZSA-N 1 2 379.379 -0.043 20 0 GBADLO COC(=O)[C@@](C)(Cn1cccn1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000890943334 1072315587 /nfs/dbraw/zinc/31/55/87/1072315587.db2.gz QUUUCMAXULHVAN-RVKKMQEKSA-N 1 2 380.445 -0.189 20 0 GBADLO COC(=O)[C@](C)(Cn1cccn1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000890943335 1072315158 /nfs/dbraw/zinc/31/51/58/1072315158.db2.gz QUUUCMAXULHVAN-VKJFTORMSA-N 1 2 380.445 -0.189 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)CC1 ZINC000891038491 1072334784 /nfs/dbraw/zinc/33/47/84/1072334784.db2.gz IXJYYFQWUCUWKV-UHFFFAOYSA-N 1 2 392.522 -0.599 20 0 GBADLO C/C(=C\C(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000891110515 1072380267 /nfs/dbraw/zinc/38/02/67/1072380267.db2.gz UHCCKZHFCVRRTB-BMQCOBNYSA-N 1 2 376.461 -0.336 20 0 GBADLO C/C(=C/C(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000891110517 1072380105 /nfs/dbraw/zinc/38/01/05/1072380105.db2.gz UHCCKZHFCVRRTB-CTXBLAANSA-N 1 2 376.461 -0.336 20 0 GBADLO C/C(=C\C(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000891110518 1072380229 /nfs/dbraw/zinc/38/02/29/1072380229.db2.gz UHCCKZHFCVRRTB-GLNPCMGASA-N 1 2 376.461 -0.336 20 0 GBADLO C/C(=C/C(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000891110519 1072380285 /nfs/dbraw/zinc/38/02/85/1072380285.db2.gz UHCCKZHFCVRRTB-UZGISAJGSA-N 1 2 376.461 -0.336 20 0 GBADLO CN(C)C(=O)C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000891553259 1072178579 /nfs/dbraw/zinc/17/85/79/1072178579.db2.gz SAFFTLQCKMRDEE-UHFFFAOYSA-N 1 2 396.513 -0.082 20 0 GBADLO CC[C@@H](CO)Nc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)nc[nH+]1 ZINC000891561155 1072180298 /nfs/dbraw/zinc/18/02/98/1072180298.db2.gz JQCRTJWSEZJKQR-HNNXBMFYSA-N 1 2 378.477 -0.360 20 0 GBADLO CC[C@H](CO)Nc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)nc[nH+]1 ZINC000891561156 1072180290 /nfs/dbraw/zinc/18/02/90/1072180290.db2.gz JQCRTJWSEZJKQR-OAHLLOKOSA-N 1 2 378.477 -0.360 20 0 GBADLO CC[C@@H](CO)Nc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)[nH+]cn1 ZINC000891661426 1072195146 /nfs/dbraw/zinc/19/51/46/1072195146.db2.gz YBOIRLIWNPHFIV-HNNXBMFYSA-N 1 2 378.477 -0.360 20 0 GBADLO CC[C@@H](CO)Nc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)nc[nH+]1 ZINC000891661426 1072195141 /nfs/dbraw/zinc/19/51/41/1072195141.db2.gz YBOIRLIWNPHFIV-HNNXBMFYSA-N 1 2 378.477 -0.360 20 0 GBADLO CC[C@H](CO)Nc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)[nH+]cn1 ZINC000891661428 1072195684 /nfs/dbraw/zinc/19/56/84/1072195684.db2.gz YBOIRLIWNPHFIV-OAHLLOKOSA-N 1 2 378.477 -0.360 20 0 GBADLO CC[C@H](CO)Nc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)nc[nH+]1 ZINC000891661428 1072195680 /nfs/dbraw/zinc/19/56/80/1072195680.db2.gz YBOIRLIWNPHFIV-OAHLLOKOSA-N 1 2 378.477 -0.360 20 0 GBADLO COc1nccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1F ZINC000891699873 1072201086 /nfs/dbraw/zinc/20/10/86/1072201086.db2.gz OHQHYYGYVSYRQX-UHFFFAOYSA-N 1 2 387.481 -0.161 20 0 GBADLO Cc1nn(C)c(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1Cl ZINC000891699978 637359845 /nfs/dbraw/zinc/35/98/45/637359845.db2.gz WAQKSMQSXSVZSN-UHFFFAOYSA-N 1 2 390.941 -0.008 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000891758100 1072209343 /nfs/dbraw/zinc/20/93/43/1072209343.db2.gz VEIXOMZJZXCEHV-OKILXGFUSA-N 1 2 379.486 -0.025 20 0 GBADLO CCOCc1nc(C)cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000891761665 1072210290 /nfs/dbraw/zinc/21/02/90/1072210290.db2.gz DIKQTCCUUBSBLI-UHFFFAOYSA-N 1 2 398.533 -0.064 20 0 GBADLO CNC(=O)c1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC000891762335 1072210268 /nfs/dbraw/zinc/21/02/68/1072210268.db2.gz MJWJMEUPZMLQIK-UHFFFAOYSA-N 1 2 382.490 -0.945 20 0 GBADLO COC(=O)c1nc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1C ZINC000891763005 1072210092 /nfs/dbraw/zinc/21/00/92/1072210092.db2.gz PTWXALBUKWHVBM-UHFFFAOYSA-N 1 2 397.501 -0.209 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000891765557 1072210178 /nfs/dbraw/zinc/21/01/78/1072210178.db2.gz HDZAVHVGSUTHCO-VNQPRFMTSA-N 1 2 377.445 -0.617 20 0 GBADLO COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000891850039 1072229193 /nfs/dbraw/zinc/22/91/93/1072229193.db2.gz XIHCJMBHGPMRLP-HNNXBMFYSA-N 1 2 391.472 -0.088 20 0 GBADLO COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000891850042 1072229701 /nfs/dbraw/zinc/22/97/01/1072229701.db2.gz XIHCJMBHGPMRLP-OAHLLOKOSA-N 1 2 391.472 -0.088 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000891851966 1072230448 /nfs/dbraw/zinc/23/04/48/1072230448.db2.gz LKYIUEKKUAFLCG-VQIMIIECSA-N 1 2 391.472 -0.083 20 0 GBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCN3CCNC3=O)c2)CC1 ZINC000891929883 1072247339 /nfs/dbraw/zinc/24/73/39/1072247339.db2.gz QKKHBJUSCOQTQQ-UHFFFAOYSA-N 1 2 388.472 -0.486 20 0 GBADLO Cn1c2[nH]c(NC[C@@]3([NH+]4CCOCC4)CCSC3)nc2c(=O)n(C)c1=O ZINC000891965243 1072269999 /nfs/dbraw/zinc/26/99/99/1072269999.db2.gz HVRYGJYREUIZRO-INIZCTEOSA-N 1 2 380.474 -0.420 20 0 GBADLO Cn1c2[nH]c(NC[C@]3([NH+]4CCOCC4)CCSC3)nc2c(=O)n(C)c1=O ZINC000891965244 1072269872 /nfs/dbraw/zinc/26/98/72/1072269872.db2.gz HVRYGJYREUIZRO-MRXNPFEDSA-N 1 2 380.474 -0.420 20 0 GBADLO CCn1cc(C[NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)nn1 ZINC000892593301 1072964372 /nfs/dbraw/zinc/96/43/72/1072964372.db2.gz AYUPYDRZRQLJCQ-UHFFFAOYSA-N 1 2 379.490 -0.065 20 0 GBADLO CN(c1nc(NC2CC2)nc(N(C)[C@@H]2CCN(C)C2=O)[nH+]1)[C@@H]1CCN(C)C1=O ZINC000892614556 1072978947 /nfs/dbraw/zinc/97/89/47/1072978947.db2.gz JWRJOLOZWCCXLA-CHWSQXEVSA-N 1 2 388.476 -0.798 20 0 GBADLO CN(c1nc(NC2CC2)[nH+]c(N(C)[C@@H]2CCN(C)C2=O)n1)[C@@H]1CCN(C)C1=O ZINC000892614556 1072978934 /nfs/dbraw/zinc/97/89/34/1072978934.db2.gz JWRJOLOZWCCXLA-CHWSQXEVSA-N 1 2 388.476 -0.798 20 0 GBADLO CN(c1nc(NC2CC2)nc(N(C)[C@H]2CCN(C)C2=O)[nH+]1)[C@H]1CCN(C)C1=O ZINC000892614557 1072979187 /nfs/dbraw/zinc/97/91/87/1072979187.db2.gz JWRJOLOZWCCXLA-STQMWFEESA-N 1 2 388.476 -0.798 20 0 GBADLO CN(c1nc(NC2CC2)[nH+]c(N(C)[C@H]2CCN(C)C2=O)n1)[C@H]1CCN(C)C1=O ZINC000892614557 1072979180 /nfs/dbraw/zinc/97/91/80/1072979180.db2.gz JWRJOLOZWCCXLA-STQMWFEESA-N 1 2 388.476 -0.798 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000892857374 1073148360 /nfs/dbraw/zinc/14/83/60/1073148360.db2.gz XUANIGHDHOHWRC-KRWDZBQOSA-N 1 2 399.513 -0.163 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000892857375 1073148234 /nfs/dbraw/zinc/14/82/34/1073148234.db2.gz XUANIGHDHOHWRC-QGZVFWFLSA-N 1 2 399.513 -0.163 20 0 GBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000892882879 1073150544 /nfs/dbraw/zinc/15/05/44/1073150544.db2.gz GVECKWPSEVZECK-GFCCVEGCSA-N 1 2 389.460 -0.907 20 0 GBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000892882880 1073150316 /nfs/dbraw/zinc/15/03/16/1073150316.db2.gz GVECKWPSEVZECK-LBPRGKRZSA-N 1 2 389.460 -0.907 20 0 GBADLO COCCN1CCN(c2cc[nH+]c(N3CCN(CCOC)C(=O)C3)n2)CC1=O ZINC000893077805 1073216598 /nfs/dbraw/zinc/21/65/98/1073216598.db2.gz LRKIMYTVCFECHZ-UHFFFAOYSA-N 1 2 392.460 -0.933 20 0 GBADLO CCN1CCN(c2nc(NC3CC3)nc(N3CCN(CC)C(=O)C3)[nH+]2)CC1=O ZINC000893163010 1073239641 /nfs/dbraw/zinc/23/96/41/1073239641.db2.gz AZWSQVJMCLZTNN-UHFFFAOYSA-N 1 2 388.476 -0.795 20 0 GBADLO CCN1CCN(c2nc(NC3CC3)[nH+]c(N3CCN(CC)C(=O)C3)n2)CC1=O ZINC000893163010 1073239633 /nfs/dbraw/zinc/23/96/33/1073239633.db2.gz AZWSQVJMCLZTNN-UHFFFAOYSA-N 1 2 388.476 -0.795 20 0 GBADLO C[C@H]1C(=O)N(C)CCN1c1nc(NC2CC2)nc(N2CCN(C)C(=O)[C@@H]2C)[nH+]1 ZINC000893273649 1073288664 /nfs/dbraw/zinc/28/86/64/1073288664.db2.gz LEBZKUCSDUSZSS-RYUDHWBXSA-N 1 2 388.476 -0.798 20 0 GBADLO C[C@H]1C(=O)N(C)CCN1c1nc(NC2CC2)[nH+]c(N2CCN(C)C(=O)[C@@H]2C)n1 ZINC000893273649 1073288656 /nfs/dbraw/zinc/28/86/56/1073288656.db2.gz LEBZKUCSDUSZSS-RYUDHWBXSA-N 1 2 388.476 -0.798 20 0 GBADLO C[C@@H]1C(=O)N(C)CCN1c1nc(NC2CC2)nc(N2CCN(C)C(=O)[C@H]2C)[nH+]1 ZINC000893273661 1073288613 /nfs/dbraw/zinc/28/86/13/1073288613.db2.gz LEBZKUCSDUSZSS-VXGBXAGGSA-N 1 2 388.476 -0.798 20 0 GBADLO C[C@@H]1C(=O)N(C)CCN1c1nc(NC2CC2)[nH+]c(N2CCN(C)C(=O)[C@H]2C)n1 ZINC000893273661 1073288608 /nfs/dbraw/zinc/28/86/08/1073288608.db2.gz LEBZKUCSDUSZSS-VXGBXAGGSA-N 1 2 388.476 -0.798 20 0 GBADLO C[C@H]1CN(C)C(=O)CN1c1nc(NC2CC2)nc(N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC000893380851 1073356992 /nfs/dbraw/zinc/35/69/92/1073356992.db2.gz YGCJBIGNSIRCNG-RYUDHWBXSA-N 1 2 388.476 -0.798 20 0 GBADLO C[C@H]1CN(C)C(=O)CN1c1nc(NC2CC2)[nH+]c(N2CC(=O)N(C)C[C@@H]2C)n1 ZINC000893380851 1073356980 /nfs/dbraw/zinc/35/69/80/1073356980.db2.gz YGCJBIGNSIRCNG-RYUDHWBXSA-N 1 2 388.476 -0.798 20 0 GBADLO C[C@@H]1CN(C)C(=O)CN1c1nc(NC2CC2)nc(N2CC(=O)N(C)C[C@H]2C)[nH+]1 ZINC000893380853 1073357151 /nfs/dbraw/zinc/35/71/51/1073357151.db2.gz YGCJBIGNSIRCNG-VXGBXAGGSA-N 1 2 388.476 -0.798 20 0 GBADLO C[C@@H]1CN(C)C(=O)CN1c1nc(NC2CC2)[nH+]c(N2CC(=O)N(C)C[C@H]2C)n1 ZINC000893380853 1073357147 /nfs/dbraw/zinc/35/71/47/1073357147.db2.gz YGCJBIGNSIRCNG-VXGBXAGGSA-N 1 2 388.476 -0.798 20 0 GBADLO CO[C@@H]1CN(c2nc(NC3CC3)nc(N3C[C@@H](OC)[C@@H](OC)C3)[nH+]2)C[C@@H]1OC ZINC000893470020 1073456381 /nfs/dbraw/zinc/45/63/81/1073456381.db2.gz GQQKWQUWPCIHJP-NMWPEEMBSA-N 1 2 394.476 -0.432 20 0 GBADLO CO[C@@H]1CN(c2nc(NC3CC3)[nH+]c(N3C[C@@H](OC)[C@@H](OC)C3)n2)C[C@@H]1OC ZINC000893470020 1073456377 /nfs/dbraw/zinc/45/63/77/1073456377.db2.gz GQQKWQUWPCIHJP-NMWPEEMBSA-N 1 2 394.476 -0.432 20 0 GBADLO C1CC1Nc1nc(N2C[C@@H]3COC[C@H](C2)O3)[nH+]c(N2C[C@@H]3COC[C@H](C2)O3)n1 ZINC000893716770 1073750037 /nfs/dbraw/zinc/75/00/37/1073750037.db2.gz PNEWTHZDJQQEEQ-NMWPEEMBSA-N 1 2 390.444 -0.924 20 0 GBADLO C1CC1Nc1nc(N2C[C@@H]3COC[C@H](C2)O3)nc(N2C[C@@H]3COC[C@H](C2)O3)[nH+]1 ZINC000893716770 1073750025 /nfs/dbraw/zinc/75/00/25/1073750025.db2.gz PNEWTHZDJQQEEQ-NMWPEEMBSA-N 1 2 390.444 -0.924 20 0 GBADLO Cn1nc(Br)nc1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000894393822 637389370 /nfs/dbraw/zinc/38/93/70/637389370.db2.gz PKHGLYWZPGDPQW-LLVKDONJSA-N 1 2 387.282 -0.400 20 0 GBADLO Cn1nc(Br)nc1C[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000894393823 637389199 /nfs/dbraw/zinc/38/91/99/637389199.db2.gz PKHGLYWZPGDPQW-NSHDSACASA-N 1 2 387.282 -0.400 20 0 GBADLO CN(C[C@H]1COCCO1)c1nc(NC2CC2)nc(N(C)C[C@H]2COCCO2)[nH+]1 ZINC000894544703 1073023009 /nfs/dbraw/zinc/02/30/09/1073023009.db2.gz JWQHHIVKQCFUTP-GJZGRUSLSA-N 1 2 394.476 -0.429 20 0 GBADLO CN(C[C@@H]1COCCO1)c1nc(NC2CC2)nc(N(C)C[C@@H]2COCCO2)[nH+]1 ZINC000894544704 1073023065 /nfs/dbraw/zinc/02/30/65/1073023065.db2.gz JWQHHIVKQCFUTP-HUUCEWRRSA-N 1 2 394.476 -0.429 20 0 GBADLO CN1CCN(c2nc(NC3CC3)nc(N3CCC(=O)N(C)CC3)[nH+]2)CCC1=O ZINC000894577106 1073024309 /nfs/dbraw/zinc/02/43/09/1073024309.db2.gz PTDGJWFXLLQFNF-UHFFFAOYSA-N 1 2 388.476 -0.795 20 0 GBADLO CN1CCOC[C@@H]1CNc1nc(NC[C@H]2COCCN2C)[nH+]c(NC2CC2)n1 ZINC000894762098 1073034942 /nfs/dbraw/zinc/03/49/42/1073034942.db2.gz ZBWCIDNLHRTGQO-GJZGRUSLSA-N 1 2 392.508 -0.069 20 0 GBADLO CN1CCOC[C@H]1CNc1nc(NC[C@@H]2COCCN2C)[nH+]c(NC2CC2)n1 ZINC000894762100 1073035232 /nfs/dbraw/zinc/03/52/32/1073035232.db2.gz ZBWCIDNLHRTGQO-HUUCEWRRSA-N 1 2 392.508 -0.069 20 0 GBADLO Cc1cnc2c(cnn2CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000895053338 1073159000 /nfs/dbraw/zinc/15/90/00/1073159000.db2.gz ZISSAIFRIKKDGL-INIZCTEOSA-N 1 2 386.456 -0.211 20 0 GBADLO Cc1cnc2c(cnn2CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000895053341 1073159175 /nfs/dbraw/zinc/15/91/75/1073159175.db2.gz ZISSAIFRIKKDGL-MRXNPFEDSA-N 1 2 386.456 -0.211 20 0 GBADLO C[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCNC(=O)C1 ZINC000895266932 1073309408 /nfs/dbraw/zinc/30/94/08/1073309408.db2.gz ITSQYWOBPDRKIZ-IBGZPJMESA-N 1 2 388.472 -0.122 20 0 GBADLO C[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCNC(=O)C1 ZINC000895266932 1073309402 /nfs/dbraw/zinc/30/94/02/1073309402.db2.gz ITSQYWOBPDRKIZ-IBGZPJMESA-N 1 2 388.472 -0.122 20 0 GBADLO C[C@@]1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCNC(=O)C1 ZINC000895266935 1073309627 /nfs/dbraw/zinc/30/96/27/1073309627.db2.gz ITSQYWOBPDRKIZ-LJQANCHMSA-N 1 2 388.472 -0.122 20 0 GBADLO C[C@@]1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCNC(=O)C1 ZINC000895266935 1073309615 /nfs/dbraw/zinc/30/96/15/1073309615.db2.gz ITSQYWOBPDRKIZ-LJQANCHMSA-N 1 2 388.472 -0.122 20 0 GBADLO CC(C)(CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)[NH+]1CCOCC1 ZINC000895311547 637398055 /nfs/dbraw/zinc/39/80/55/637398055.db2.gz BAQSRKJBPRZZBE-UHFFFAOYSA-N 1 2 382.552 -0.313 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c[nH+]1 ZINC000895500892 1073321668 /nfs/dbraw/zinc/32/16/68/1073321668.db2.gz DEDSOGFPBGTCOB-UHFFFAOYSA-N 1 2 377.445 -0.544 20 0 GBADLO CNc1nc(N2CC[C@@H](C3OCCO3)C2)[nH+]c(N2CC[C@@H](C3OCCO3)C2)n1 ZINC000895525394 1073322842 /nfs/dbraw/zinc/32/28/42/1073322842.db2.gz VSSMNSCLXFLSSU-CHWSQXEVSA-N 1 2 392.460 -0.266 20 0 GBADLO CNc1nc(N2CC[C@H](C3OCCO3)C2)[nH+]c(N2CC[C@H](C3OCCO3)C2)n1 ZINC000895525395 1073322272 /nfs/dbraw/zinc/32/22/72/1073322272.db2.gz VSSMNSCLXFLSSU-STQMWFEESA-N 1 2 392.460 -0.266 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c[nH+]1 ZINC000895627141 1073324232 /nfs/dbraw/zinc/32/42/32/1073324232.db2.gz ZOGKNGMYHBPRQJ-UHFFFAOYSA-N 1 2 385.490 -0.352 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000895679787 1073324436 /nfs/dbraw/zinc/32/44/36/1073324436.db2.gz IVWAHBQRAIYRLL-UHFFFAOYSA-N 1 2 398.533 -0.437 20 0 GBADLO CC(=O)c1cncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000895682122 1073324750 /nfs/dbraw/zinc/32/47/50/1073324750.db2.gz AUMLUEOTSGCZGD-UHFFFAOYSA-N 1 2 395.485 -0.466 20 0 GBADLO CO[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCSC1 ZINC000895682125 637400471 /nfs/dbraw/zinc/40/04/71/637400471.db2.gz AWKYCXXYMCPBEB-HNNXBMFYSA-N 1 2 392.547 -0.855 20 0 GBADLO CO[C@]1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCSC1 ZINC000895682126 637400317 /nfs/dbraw/zinc/40/03/17/637400317.db2.gz AWKYCXXYMCPBEB-OAHLLOKOSA-N 1 2 392.547 -0.855 20 0 GBADLO CC(C)Cn1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000895683217 1073324880 /nfs/dbraw/zinc/32/48/80/1073324880.db2.gz JKGWEPDNFGMREY-UHFFFAOYSA-N 1 2 398.533 -0.211 20 0 GBADLO Cc1cnc(F)cc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000895683831 1073324990 /nfs/dbraw/zinc/32/49/90/1073324990.db2.gz UIAHKRQSJYCVTB-UHFFFAOYSA-N 1 2 385.465 -0.221 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c[nH+]1 ZINC000895797430 1073326523 /nfs/dbraw/zinc/32/65/23/1073326523.db2.gz CPGONKDPCYQBDS-UHFFFAOYSA-N 1 2 375.429 -0.254 20 0 GBADLO O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000896416593 1073340494 /nfs/dbraw/zinc/34/04/94/1073340494.db2.gz KCMMHTAGLNKCML-PBHICJAKSA-N 1 2 386.452 -0.090 20 0 GBADLO O=C(C[C@H]1NC(=O)c2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000896416608 1073340732 /nfs/dbraw/zinc/34/07/32/1073340732.db2.gz KCMMHTAGLNKCML-RHSMWYFYSA-N 1 2 386.452 -0.090 20 0 GBADLO O=C(C[C@H]1NC(=O)c2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000896416610 1073340920 /nfs/dbraw/zinc/34/09/20/1073340920.db2.gz KCMMHTAGLNKCML-WMLDXEAASA-N 1 2 386.452 -0.090 20 0 GBADLO O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000896416612 1073340772 /nfs/dbraw/zinc/34/07/72/1073340772.db2.gz KCMMHTAGLNKCML-YOEHRIQHSA-N 1 2 386.452 -0.090 20 0 GBADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[nH]n1 ZINC000896417129 1073340617 /nfs/dbraw/zinc/34/06/17/1073340617.db2.gz PTQWMTXYXQUKPC-PBHICJAKSA-N 1 2 390.488 -0.161 20 0 GBADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[nH]n1 ZINC000896417129 1073340611 /nfs/dbraw/zinc/34/06/11/1073340611.db2.gz PTQWMTXYXQUKPC-PBHICJAKSA-N 1 2 390.488 -0.161 20 0 GBADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[nH]n1 ZINC000896417130 1073340756 /nfs/dbraw/zinc/34/07/56/1073340756.db2.gz PTQWMTXYXQUKPC-RHSMWYFYSA-N 1 2 390.488 -0.161 20 0 GBADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[nH]n1 ZINC000896417130 1073340749 /nfs/dbraw/zinc/34/07/49/1073340749.db2.gz PTQWMTXYXQUKPC-RHSMWYFYSA-N 1 2 390.488 -0.161 20 0 GBADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)[nH]n1 ZINC000896417131 1073340708 /nfs/dbraw/zinc/34/07/08/1073340708.db2.gz PTQWMTXYXQUKPC-WMLDXEAASA-N 1 2 390.488 -0.161 20 0 GBADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)[nH]n1 ZINC000896417131 1073340698 /nfs/dbraw/zinc/34/06/98/1073340698.db2.gz PTQWMTXYXQUKPC-WMLDXEAASA-N 1 2 390.488 -0.161 20 0 GBADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)[nH]n1 ZINC000896417132 1073340795 /nfs/dbraw/zinc/34/07/95/1073340795.db2.gz PTQWMTXYXQUKPC-YOEHRIQHSA-N 1 2 390.488 -0.161 20 0 GBADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)[nH]n1 ZINC000896417132 1073340788 /nfs/dbraw/zinc/34/07/88/1073340788.db2.gz PTQWMTXYXQUKPC-YOEHRIQHSA-N 1 2 390.488 -0.161 20 0 GBADLO CCOC(=O)N(C)CCCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000896417707 1073340867 /nfs/dbraw/zinc/34/08/67/1073340867.db2.gz ZITBIQZNMRKYPG-HNNXBMFYSA-N 1 2 384.477 -0.096 20 0 GBADLO CCOC(=O)N(C)CCCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000896417708 1073341521 /nfs/dbraw/zinc/34/15/21/1073341521.db2.gz ZITBIQZNMRKYPG-OAHLLOKOSA-N 1 2 384.477 -0.096 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)N[C@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2=O)cn1 ZINC000896539393 1073343907 /nfs/dbraw/zinc/34/39/07/1073343907.db2.gz NOUTUJLEQFMVQE-BFYDXBDKSA-N 1 2 392.504 -0.367 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)N[C@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2=O)cn1 ZINC000896539393 1073343897 /nfs/dbraw/zinc/34/38/97/1073343897.db2.gz NOUTUJLEQFMVQE-BFYDXBDKSA-N 1 2 392.504 -0.367 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2=O)cn1 ZINC000896539394 1073343711 /nfs/dbraw/zinc/34/37/11/1073343711.db2.gz NOUTUJLEQFMVQE-INMHGKMJSA-N 1 2 392.504 -0.367 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)N[C@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2=O)cn1 ZINC000896539394 1073343700 /nfs/dbraw/zinc/34/37/00/1073343700.db2.gz NOUTUJLEQFMVQE-INMHGKMJSA-N 1 2 392.504 -0.367 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@H+]3C)CC2=O)cn1 ZINC000896539395 1073343769 /nfs/dbraw/zinc/34/37/69/1073343769.db2.gz NOUTUJLEQFMVQE-UXLLHSPISA-N 1 2 392.504 -0.367 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)N[C@@H](C)[C@@H]3CN(C)CC[N@@H+]3C)CC2=O)cn1 ZINC000896539395 1073343757 /nfs/dbraw/zinc/34/37/57/1073343757.db2.gz NOUTUJLEQFMVQE-UXLLHSPISA-N 1 2 392.504 -0.367 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@H+]3C)CC2=O)cn1 ZINC000896539396 1073343983 /nfs/dbraw/zinc/34/39/83/1073343983.db2.gz NOUTUJLEQFMVQE-ZMSDIMECSA-N 1 2 392.504 -0.367 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)N[C@@H](C)[C@H]3CN(C)CC[N@@H+]3C)CC2=O)cn1 ZINC000896539396 1073343976 /nfs/dbraw/zinc/34/39/76/1073343976.db2.gz NOUTUJLEQFMVQE-ZMSDIMECSA-N 1 2 392.504 -0.367 20 0 GBADLO C[C@@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000896571504 1073351177 /nfs/dbraw/zinc/35/11/77/1073351177.db2.gz LBVAYBGZFWMAPJ-BXUZGUMPSA-N 1 2 390.456 -0.006 20 0 GBADLO C[C@@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896571504 1073351165 /nfs/dbraw/zinc/35/11/65/1073351165.db2.gz LBVAYBGZFWMAPJ-BXUZGUMPSA-N 1 2 390.456 -0.006 20 0 GBADLO C[C@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000896571505 1073351696 /nfs/dbraw/zinc/35/16/96/1073351696.db2.gz LBVAYBGZFWMAPJ-FZMZJTMJSA-N 1 2 390.456 -0.006 20 0 GBADLO C[C@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896571505 1073351686 /nfs/dbraw/zinc/35/16/86/1073351686.db2.gz LBVAYBGZFWMAPJ-FZMZJTMJSA-N 1 2 390.456 -0.006 20 0 GBADLO C[C@@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000896571506 1073351568 /nfs/dbraw/zinc/35/15/68/1073351568.db2.gz LBVAYBGZFWMAPJ-RISCZKNCSA-N 1 2 390.456 -0.006 20 0 GBADLO C[C@@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000896571506 1073351558 /nfs/dbraw/zinc/35/15/58/1073351558.db2.gz LBVAYBGZFWMAPJ-RISCZKNCSA-N 1 2 390.456 -0.006 20 0 GBADLO C[C@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000896571507 1073351052 /nfs/dbraw/zinc/35/10/52/1073351052.db2.gz LBVAYBGZFWMAPJ-SMDDNHRTSA-N 1 2 390.456 -0.006 20 0 GBADLO C[C@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@H]1C[N@H+](C)CCN1C ZINC000896571507 1073351043 /nfs/dbraw/zinc/35/10/43/1073351043.db2.gz LBVAYBGZFWMAPJ-SMDDNHRTSA-N 1 2 390.456 -0.006 20 0 GBADLO C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H]1CN(C)CC[N@H+]1C ZINC000896575179 637402899 /nfs/dbraw/zinc/40/28/99/637402899.db2.gz NFQMMFQYKJBWAD-GXSJLCMTSA-N 1 2 388.266 -0.538 20 0 GBADLO C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC000896575179 637402892 /nfs/dbraw/zinc/40/28/92/637402892.db2.gz NFQMMFQYKJBWAD-GXSJLCMTSA-N 1 2 388.266 -0.538 20 0 GBADLO C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC000896575180 637402945 /nfs/dbraw/zinc/40/29/45/637402945.db2.gz NFQMMFQYKJBWAD-KOLCDFICSA-N 1 2 388.266 -0.538 20 0 GBADLO C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896575180 637402939 /nfs/dbraw/zinc/40/29/39/637402939.db2.gz NFQMMFQYKJBWAD-KOLCDFICSA-N 1 2 388.266 -0.538 20 0 GBADLO C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H]1CN(C)CC[N@H+]1C ZINC000896575181 637402728 /nfs/dbraw/zinc/40/27/28/637402728.db2.gz NFQMMFQYKJBWAD-MWLCHTKSSA-N 1 2 388.266 -0.538 20 0 GBADLO C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC000896575181 637402722 /nfs/dbraw/zinc/40/27/22/637402722.db2.gz NFQMMFQYKJBWAD-MWLCHTKSSA-N 1 2 388.266 -0.538 20 0 GBADLO C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC000896575182 637402632 /nfs/dbraw/zinc/40/26/32/637402632.db2.gz NFQMMFQYKJBWAD-ONGXEEELSA-N 1 2 388.266 -0.538 20 0 GBADLO C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896575182 637402628 /nfs/dbraw/zinc/40/26/28/637402628.db2.gz NFQMMFQYKJBWAD-ONGXEEELSA-N 1 2 388.266 -0.538 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1c[nH]nc1I ZINC000897235512 637407124 /nfs/dbraw/zinc/40/71/24/637407124.db2.gz UJPKOUSAIJHXRJ-SECBINFHSA-N 1 2 394.213 -0.221 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1c[nH]nc1I ZINC000897235513 637407342 /nfs/dbraw/zinc/40/73/42/637407342.db2.gz UJPKOUSAIJHXRJ-VIFPVBQESA-N 1 2 394.213 -0.221 20 0 GBADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000897279737 1073503077 /nfs/dbraw/zinc/50/30/77/1073503077.db2.gz XBGOHMPFEOEUSZ-AWEZNQCLSA-N 1 2 385.490 -0.214 20 0 GBADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000897279737 1073503070 /nfs/dbraw/zinc/50/30/70/1073503070.db2.gz XBGOHMPFEOEUSZ-AWEZNQCLSA-N 1 2 385.490 -0.214 20 0 GBADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000897279739 1073503587 /nfs/dbraw/zinc/50/35/87/1073503587.db2.gz XBGOHMPFEOEUSZ-CQSZACIVSA-N 1 2 385.490 -0.214 20 0 GBADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000897279739 1073503575 /nfs/dbraw/zinc/50/35/75/1073503575.db2.gz XBGOHMPFEOEUSZ-CQSZACIVSA-N 1 2 385.490 -0.214 20 0 GBADLO O=C(COc1ccccc1C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)NCC1CC1 ZINC000897283317 1073507376 /nfs/dbraw/zinc/50/73/76/1073507376.db2.gz IVVBORAXDWFBBZ-INIZCTEOSA-N 1 2 394.497 -0.074 20 0 GBADLO O=C(COc1ccccc1C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1)NCC1CC1 ZINC000897283317 1073507366 /nfs/dbraw/zinc/50/73/66/1073507366.db2.gz IVVBORAXDWFBBZ-INIZCTEOSA-N 1 2 394.497 -0.074 20 0 GBADLO O=C(COc1ccccc1C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)NCC1CC1 ZINC000897283318 1073507198 /nfs/dbraw/zinc/50/71/98/1073507198.db2.gz IVVBORAXDWFBBZ-MRXNPFEDSA-N 1 2 394.497 -0.074 20 0 GBADLO O=C(COc1ccccc1C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1)NCC1CC1 ZINC000897283318 1073507193 /nfs/dbraw/zinc/50/71/93/1073507193.db2.gz IVVBORAXDWFBBZ-MRXNPFEDSA-N 1 2 394.497 -0.074 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1)[NH+]1CCOCC1 ZINC000897400228 1073884211 /nfs/dbraw/zinc/88/42/11/1073884211.db2.gz LDABNHYAVVSQTC-CVEARBPZSA-N 1 2 380.489 -0.414 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1)[NH+]1CCOCC1 ZINC000897400229 1073883651 /nfs/dbraw/zinc/88/36/51/1073883651.db2.gz LDABNHYAVVSQTC-HOTGVXAUSA-N 1 2 380.489 -0.414 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1)[NH+]1CCOCC1 ZINC000897400230 1073884027 /nfs/dbraw/zinc/88/40/27/1073884027.db2.gz LDABNHYAVVSQTC-HZPDHXFCSA-N 1 2 380.489 -0.414 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1)[NH+]1CCOCC1 ZINC000897400231 1073884304 /nfs/dbraw/zinc/88/43/04/1073884304.db2.gz LDABNHYAVVSQTC-JKSUJKDBSA-N 1 2 380.489 -0.414 20 0 GBADLO CC(C)[C@@H](CNC(=O)C(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2)[NH+]1CCOCC1 ZINC000897400390 1073884594 /nfs/dbraw/zinc/88/45/94/1073884594.db2.gz OJSCCJMNCXQIRI-ARFHVFGLSA-N 1 2 380.489 -0.319 20 0 GBADLO CC(C)[C@H](CNC(=O)C(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2)[NH+]1CCOCC1 ZINC000897400391 1073885216 /nfs/dbraw/zinc/88/52/16/1073885216.db2.gz OJSCCJMNCXQIRI-XHSDSOJGSA-N 1 2 380.489 -0.319 20 0 GBADLO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000897405195 1073886093 /nfs/dbraw/zinc/88/60/93/1073886093.db2.gz VKECHNODGNPJPO-INIZCTEOSA-N 1 2 389.504 -0.685 20 0 GBADLO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000897405196 1073886334 /nfs/dbraw/zinc/88/63/34/1073886334.db2.gz VKECHNODGNPJPO-MRXNPFEDSA-N 1 2 389.504 -0.685 20 0 GBADLO O=C(NCCN1CCNC1=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000897467561 1073934815 /nfs/dbraw/zinc/93/48/15/1073934815.db2.gz FPJPMAXDWWTHBH-UHFFFAOYSA-N 1 2 388.472 -0.934 20 0 GBADLO CS(=O)(=O)N=S1(=O)CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000897820941 637426325 /nfs/dbraw/zinc/42/63/25/637426325.db2.gz HQFUPNYEMSHKNU-UHFFFAOYSA-N 1 2 379.504 -0.633 20 0 GBADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000898488340 637432140 /nfs/dbraw/zinc/43/21/40/637432140.db2.gz GDDWOOKAJJCESO-BFHYXJOUSA-N 1 2 375.466 -0.428 20 0 GBADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000898488340 637432134 /nfs/dbraw/zinc/43/21/34/637432134.db2.gz GDDWOOKAJJCESO-BFHYXJOUSA-N 1 2 375.466 -0.428 20 0 GBADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000898488341 637431756 /nfs/dbraw/zinc/43/17/56/637431756.db2.gz GDDWOOKAJJCESO-MCIONIFRSA-N 1 2 375.466 -0.428 20 0 GBADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000898488341 637431752 /nfs/dbraw/zinc/43/17/52/637431752.db2.gz GDDWOOKAJJCESO-MCIONIFRSA-N 1 2 375.466 -0.428 20 0 GBADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000898488342 637431556 /nfs/dbraw/zinc/43/15/56/637431556.db2.gz GDDWOOKAJJCESO-MGPQQGTHSA-N 1 2 375.466 -0.428 20 0 GBADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000898488342 637431550 /nfs/dbraw/zinc/43/15/50/637431550.db2.gz GDDWOOKAJJCESO-MGPQQGTHSA-N 1 2 375.466 -0.428 20 0 GBADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000898488343 637431994 /nfs/dbraw/zinc/43/19/94/637431994.db2.gz GDDWOOKAJJCESO-MJBXVCDLSA-N 1 2 375.466 -0.428 20 0 GBADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000898488343 637431986 /nfs/dbraw/zinc/43/19/86/637431986.db2.gz GDDWOOKAJJCESO-MJBXVCDLSA-N 1 2 375.466 -0.428 20 0 GBADLO CCS(=O)(=O)N1CCC(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC000899053840 637432838 /nfs/dbraw/zinc/43/28/38/637432838.db2.gz TYLIXQPVURDTFU-UHFFFAOYSA-N 1 2 375.491 -0.387 20 0 GBADLO CCS(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC000899053840 637432832 /nfs/dbraw/zinc/43/28/32/637432832.db2.gz TYLIXQPVURDTFU-UHFFFAOYSA-N 1 2 375.491 -0.387 20 0 GBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC000899056431 637433083 /nfs/dbraw/zinc/43/30/83/637433083.db2.gz BJVPECOLWSCPNM-AWEZNQCLSA-N 1 2 375.491 -0.387 20 0 GBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000899056431 637433079 /nfs/dbraw/zinc/43/30/79/637433079.db2.gz BJVPECOLWSCPNM-AWEZNQCLSA-N 1 2 375.491 -0.387 20 0 GBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC000899056432 637432866 /nfs/dbraw/zinc/43/28/66/637432866.db2.gz BJVPECOLWSCPNM-CQSZACIVSA-N 1 2 375.491 -0.387 20 0 GBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000899056432 637432861 /nfs/dbraw/zinc/43/28/61/637432861.db2.gz BJVPECOLWSCPNM-CQSZACIVSA-N 1 2 375.491 -0.387 20 0 GBADLO CC(C)[C@@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)N1CCCS1(=O)=O ZINC000899060721 637432679 /nfs/dbraw/zinc/43/26/79/637432679.db2.gz ZGGQJSXULXEUBG-AWEZNQCLSA-N 1 2 375.491 -0.389 20 0 GBADLO CC(C)[C@@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)N1CCCS1(=O)=O ZINC000899060721 637432671 /nfs/dbraw/zinc/43/26/71/637432671.db2.gz ZGGQJSXULXEUBG-AWEZNQCLSA-N 1 2 375.491 -0.389 20 0 GBADLO CC(C)[C@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)N1CCCS1(=O)=O ZINC000899060722 637432563 /nfs/dbraw/zinc/43/25/63/637432563.db2.gz ZGGQJSXULXEUBG-CQSZACIVSA-N 1 2 375.491 -0.389 20 0 GBADLO CC(C)[C@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)N1CCCS1(=O)=O ZINC000899060722 637432558 /nfs/dbraw/zinc/43/25/58/637432558.db2.gz ZGGQJSXULXEUBG-CQSZACIVSA-N 1 2 375.491 -0.389 20 0 GBADLO O=C(Cn1nc(Br)c(Br)n1)N1CC[NH+](CCO)CC1 ZINC000900146585 638356404 /nfs/dbraw/zinc/35/64/04/638356404.db2.gz CGWICJQUYVVCIG-UHFFFAOYSA-N 1 2 397.071 -0.060 20 0 GBADLO Cc1[nH]nc(Cl)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000900163011 638356473 /nfs/dbraw/zinc/35/64/73/638356473.db2.gz HIDVMBRJGHXPBJ-UHFFFAOYSA-N 1 2 390.897 -0.378 20 0 GBADLO CCc1nnc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000900165851 637435155 /nfs/dbraw/zinc/43/51/55/637435155.db2.gz OGDOZWFAAJNATB-UHFFFAOYSA-N 1 2 388.519 -0.650 20 0 GBADLO C/C(=C/C(=O)NCCS(=O)(=O)N1CCSCC1)C[NH+]1CCOCC1 ZINC000900613554 638359785 /nfs/dbraw/zinc/35/97/85/638359785.db2.gz DCWXATCDEUPCIS-OWBHPGMISA-N 1 2 377.532 -0.240 20 0 GBADLO C/C(=C\C(=O)NCCS(=O)(=O)N1CCSCC1)C[NH+]1CCOCC1 ZINC000900613555 638360028 /nfs/dbraw/zinc/36/00/28/638360028.db2.gz DCWXATCDEUPCIS-WYMLVPIESA-N 1 2 377.532 -0.240 20 0 GBADLO O=C(CN1CSCCSC1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000900743447 638361019 /nfs/dbraw/zinc/36/10/19/638361019.db2.gz RGHDBVQFSVWGIB-AWEZNQCLSA-N 1 2 388.559 -0.267 20 0 GBADLO O=C(CN1CSCCSC1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000900743448 638360496 /nfs/dbraw/zinc/36/04/96/638360496.db2.gz RGHDBVQFSVWGIB-CQSZACIVSA-N 1 2 388.559 -0.267 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900807614 638360803 /nfs/dbraw/zinc/36/08/03/638360803.db2.gz USJPRLKTZCHAKS-BFHYXJOUSA-N 1 2 380.580 -0.202 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900807614 638360799 /nfs/dbraw/zinc/36/07/99/638360799.db2.gz USJPRLKTZCHAKS-BFHYXJOUSA-N 1 2 380.580 -0.202 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900807619 638360771 /nfs/dbraw/zinc/36/07/71/638360771.db2.gz USJPRLKTZCHAKS-MCIONIFRSA-N 1 2 380.580 -0.202 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900807619 638360764 /nfs/dbraw/zinc/36/07/64/638360764.db2.gz USJPRLKTZCHAKS-MCIONIFRSA-N 1 2 380.580 -0.202 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900807620 638361086 /nfs/dbraw/zinc/36/10/86/638361086.db2.gz USJPRLKTZCHAKS-MGPQQGTHSA-N 1 2 380.580 -0.202 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900807620 638361083 /nfs/dbraw/zinc/36/10/83/638361083.db2.gz USJPRLKTZCHAKS-MGPQQGTHSA-N 1 2 380.580 -0.202 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900807621 638361470 /nfs/dbraw/zinc/36/14/70/638361470.db2.gz USJPRLKTZCHAKS-MJBXVCDLSA-N 1 2 380.580 -0.202 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900807621 638361460 /nfs/dbraw/zinc/36/14/60/638361460.db2.gz USJPRLKTZCHAKS-MJBXVCDLSA-N 1 2 380.580 -0.202 20 0 GBADLO C[C@@H]1C[N@@H+](Cn2nc(N3CCOCC3)n(C)c2=S)C[C@H]1CS(N)(=O)=O ZINC000902602936 637435427 /nfs/dbraw/zinc/43/54/27/637435427.db2.gz BOCVMFFTMMCRMP-NEPJUHHUSA-N 1 2 390.535 -0.398 20 0 GBADLO C[C@@H]1C[N@H+](Cn2nc(N3CCOCC3)n(C)c2=S)C[C@H]1CS(N)(=O)=O ZINC000902602936 637435413 /nfs/dbraw/zinc/43/54/13/637435413.db2.gz BOCVMFFTMMCRMP-NEPJUHHUSA-N 1 2 390.535 -0.398 20 0 GBADLO CCS(=O)(=O)NC1CC[NH+](CC(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000903003347 637435915 /nfs/dbraw/zinc/43/59/15/637435915.db2.gz MCFXKZKELPBSBV-UHFFFAOYSA-N 1 2 375.491 -0.198 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000903005213 637436157 /nfs/dbraw/zinc/43/61/57/637436157.db2.gz VPQLJJOOGZKTDG-UHFFFAOYSA-N 1 2 376.523 -0.237 20 0 GBADLO CS(=O)(=O)CCNC(=S)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000905522219 637441405 /nfs/dbraw/zinc/44/14/05/637441405.db2.gz HPNSLHGSIAPMMU-UHFFFAOYSA-N 1 2 376.548 -0.289 20 0 GBADLO CS(=O)(=O)CCNC(=S)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905556132 637441480 /nfs/dbraw/zinc/44/14/80/637441480.db2.gz PWMZLBJDKRLQTE-AWEZNQCLSA-N 1 2 378.564 -0.708 20 0 GBADLO CS(=O)(=O)CCNC(=S)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905556161 637441578 /nfs/dbraw/zinc/44/15/78/637441578.db2.gz PWMZLBJDKRLQTE-CQSZACIVSA-N 1 2 378.564 -0.708 20 0 GBADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000906819420 637444769 /nfs/dbraw/zinc/44/47/69/637444769.db2.gz RHCAUZVLCIVWDV-BETUJISGSA-N 1 2 397.563 -0.315 20 0 GBADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000906819420 637444763 /nfs/dbraw/zinc/44/47/63/637444763.db2.gz RHCAUZVLCIVWDV-BETUJISGSA-N 1 2 397.563 -0.315 20 0 GBADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000906819422 637444745 /nfs/dbraw/zinc/44/47/45/637444745.db2.gz RHCAUZVLCIVWDV-CHWSQXEVSA-N 1 2 397.563 -0.315 20 0 GBADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000906819424 637444960 /nfs/dbraw/zinc/44/49/60/637444960.db2.gz RHCAUZVLCIVWDV-STQMWFEESA-N 1 2 397.563 -0.315 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000906820457 637444818 /nfs/dbraw/zinc/44/48/18/637444818.db2.gz OCRALNNGZWDPAI-UHFFFAOYSA-N 1 2 388.515 -0.007 20 0 GBADLO CC(C)[C@H](CNS(=O)(=O)CC1CN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000906820664 637444691 /nfs/dbraw/zinc/44/46/91/637444691.db2.gz OYJSXEPTJQIJDQ-AWEZNQCLSA-N 1 2 383.536 -0.846 20 0 GBADLO CC(C)[C@@H](CNS(=O)(=O)CC1CN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000906820665 637444932 /nfs/dbraw/zinc/44/49/32/637444932.db2.gz OYJSXEPTJQIJDQ-CQSZACIVSA-N 1 2 383.536 -0.846 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000906863300 637445656 /nfs/dbraw/zinc/44/56/56/637445656.db2.gz DOXDBBLBCPEUIC-UHFFFAOYSA-N 1 2 393.556 -0.083 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000906863300 637445653 /nfs/dbraw/zinc/44/56/53/637445653.db2.gz DOXDBBLBCPEUIC-UHFFFAOYSA-N 1 2 393.556 -0.083 20 0 GBADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC000907014771 637448018 /nfs/dbraw/zinc/44/80/18/637448018.db2.gz UJKCDJPZZQJFMR-UHFFFAOYSA-N 1 2 383.536 -0.750 20 0 GBADLO C[C@H]1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000907043128 637447200 /nfs/dbraw/zinc/44/72/00/637447200.db2.gz QEDRMDVIPXOQQY-GXTWGEPZSA-N 1 2 376.504 -0.013 20 0 GBADLO C[C@H]1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000907043129 637447022 /nfs/dbraw/zinc/44/70/22/637447022.db2.gz QEDRMDVIPXOQQY-JSGCOSHPSA-N 1 2 376.504 -0.013 20 0 GBADLO C[C@@H]1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000907043130 637447007 /nfs/dbraw/zinc/44/70/07/637447007.db2.gz QEDRMDVIPXOQQY-OCCSQVGLSA-N 1 2 376.504 -0.013 20 0 GBADLO C[C@@H]1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000907043131 637447240 /nfs/dbraw/zinc/44/72/40/637447240.db2.gz QEDRMDVIPXOQQY-TZMCWYRMSA-N 1 2 376.504 -0.013 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000907054722 637447971 /nfs/dbraw/zinc/44/79/71/637447971.db2.gz GTESYEBXGNEBPT-CABCVRRESA-N 1 2 395.547 -0.559 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000907054723 637447747 /nfs/dbraw/zinc/44/77/47/637447747.db2.gz GTESYEBXGNEBPT-GJZGRUSLSA-N 1 2 395.547 -0.559 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000907054724 637448439 /nfs/dbraw/zinc/44/84/39/637448439.db2.gz GTESYEBXGNEBPT-HUUCEWRRSA-N 1 2 395.547 -0.559 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000907054725 637448611 /nfs/dbraw/zinc/44/86/11/637448611.db2.gz GTESYEBXGNEBPT-LSDHHAIUSA-N 1 2 395.547 -0.559 20 0 GBADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC000907066177 637448594 /nfs/dbraw/zinc/44/85/94/637448594.db2.gz KWDFJHJXXYYDRY-UHFFFAOYSA-N 1 2 397.563 -0.502 20 0 GBADLO Cn1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(I)n1 ZINC000907088857 637449500 /nfs/dbraw/zinc/44/95/00/637449500.db2.gz UHOGGTIGDUSYOV-SECBINFHSA-N 1 2 375.214 -0.246 20 0 GBADLO Cn1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c(I)n1 ZINC000907088858 637449054 /nfs/dbraw/zinc/44/90/54/637449054.db2.gz UHOGGTIGDUSYOV-VIFPVBQESA-N 1 2 375.214 -0.246 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000907164479 637449252 /nfs/dbraw/zinc/44/92/52/637449252.db2.gz LTPTVBFFHMLIGP-CQSZACIVSA-N 1 2 375.472 -0.244 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000907175173 637450063 /nfs/dbraw/zinc/45/00/63/637450063.db2.gz QUJYBWCCSZJUMM-AWEZNQCLSA-N 1 2 395.547 -0.748 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000907175898 637449816 /nfs/dbraw/zinc/44/98/16/637449816.db2.gz QUJYBWCCSZJUMM-CQSZACIVSA-N 1 2 395.547 -0.748 20 0 GBADLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CC1CN(S(C)(=O)=O)C1 ZINC000907249629 637451325 /nfs/dbraw/zinc/45/13/25/637451325.db2.gz QUNIQAISUFWXOY-UHFFFAOYSA-N 1 2 383.536 -0.750 20 0 GBADLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC000907252856 637451106 /nfs/dbraw/zinc/45/11/06/637451106.db2.gz JJDPLRULGHGSPV-UHFFFAOYSA-N 1 2 383.536 -0.750 20 0 GBADLO C[C@@H](CNS(=O)(=O)CC1CN(S(C)(=O)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000907268301 637451389 /nfs/dbraw/zinc/45/13/89/637451389.db2.gz VGJLNCHTNMETNS-RWMBFGLXSA-N 1 2 383.536 -0.705 20 0 GBADLO C[C@@H](CNS(=O)(=O)CC1CN(S(C)(=O)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000907268301 637451384 /nfs/dbraw/zinc/45/13/84/637451384.db2.gz VGJLNCHTNMETNS-RWMBFGLXSA-N 1 2 383.536 -0.705 20 0 GBADLO C[C@H](CNS(=O)(=O)CC1CN(S(C)(=O)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000907268302 637451479 /nfs/dbraw/zinc/45/14/79/637451479.db2.gz VGJLNCHTNMETNS-UPJWGTAASA-N 1 2 383.536 -0.705 20 0 GBADLO C[C@H](CNS(=O)(=O)CC1CN(S(C)(=O)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000907268302 637451473 /nfs/dbraw/zinc/45/14/73/637451473.db2.gz VGJLNCHTNMETNS-UPJWGTAASA-N 1 2 383.536 -0.705 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000907305032 637452523 /nfs/dbraw/zinc/45/25/23/637452523.db2.gz CXHZDWUXYODNQC-UHFFFAOYSA-N 1 2 381.520 -0.996 20 0 GBADLO CCS(=O)(=O)NCCS(=O)(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000907343059 637452737 /nfs/dbraw/zinc/45/27/37/637452737.db2.gz DUZULNHODQFLCK-UHFFFAOYSA-N 1 2 390.531 -0.489 20 0 GBADLO CN(C)S(=O)(=O)CCS(=O)(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000907344952 637452858 /nfs/dbraw/zinc/45/28/58/637452858.db2.gz TVEOFVBWZCRWQC-UHFFFAOYSA-N 1 2 390.531 -0.537 20 0 GBADLO CCOC1CC(CNC(=O)C2CN(S(C)(=O)=O)C2)([NH+]2CCOCC2)C1 ZINC000907773609 637456479 /nfs/dbraw/zinc/45/64/79/637456479.db2.gz DJQOVQZTJUEUSP-UHFFFAOYSA-N 1 2 375.491 -0.736 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)c1 ZINC000907786001 637456378 /nfs/dbraw/zinc/45/63/78/637456378.db2.gz KYDLTERSLZINQN-UHFFFAOYSA-N 1 2 390.531 -0.537 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)c1 ZINC000907786001 637456373 /nfs/dbraw/zinc/45/63/73/637456373.db2.gz KYDLTERSLZINQN-UHFFFAOYSA-N 1 2 390.531 -0.537 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1 ZINC000907787022 637456579 /nfs/dbraw/zinc/45/65/79/637456579.db2.gz RDUFGUNSXJMWNM-UHFFFAOYSA-N 1 2 390.531 -0.537 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)cc1 ZINC000907787022 637456572 /nfs/dbraw/zinc/45/65/72/637456572.db2.gz RDUFGUNSXJMWNM-UHFFFAOYSA-N 1 2 390.531 -0.537 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000907789923 637457555 /nfs/dbraw/zinc/45/75/55/637457555.db2.gz ROBYPIIKGGIQKO-UHFFFAOYSA-N 1 2 390.531 -0.537 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000907789923 637457551 /nfs/dbraw/zinc/45/75/51/637457551.db2.gz ROBYPIIKGGIQKO-UHFFFAOYSA-N 1 2 390.531 -0.537 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CC1=O ZINC000908238550 637460001 /nfs/dbraw/zinc/46/00/01/637460001.db2.gz NZBQZLFWJDZBSK-BBRMVZONSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CC1=O ZINC000908238550 637459995 /nfs/dbraw/zinc/45/99/95/637459995.db2.gz NZBQZLFWJDZBSK-BBRMVZONSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CC1=O ZINC000908238552 637459948 /nfs/dbraw/zinc/45/99/48/637459948.db2.gz NZBQZLFWJDZBSK-CJNGLKHVSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)CC1=O ZINC000908238552 637459947 /nfs/dbraw/zinc/45/99/47/637459947.db2.gz NZBQZLFWJDZBSK-CJNGLKHVSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1=O ZINC000908238554 637460184 /nfs/dbraw/zinc/46/01/84/637460184.db2.gz NZBQZLFWJDZBSK-CZUORRHYSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1=O ZINC000908238554 637460179 /nfs/dbraw/zinc/46/01/79/637460179.db2.gz NZBQZLFWJDZBSK-CZUORRHYSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1=O ZINC000908238555 637459877 /nfs/dbraw/zinc/45/98/77/637459877.db2.gz NZBQZLFWJDZBSK-XJKSGUPXSA-N 1 2 375.491 -0.751 20 0 GBADLO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1=O ZINC000908238555 637459870 /nfs/dbraw/zinc/45/98/70/637459870.db2.gz NZBQZLFWJDZBSK-XJKSGUPXSA-N 1 2 375.491 -0.751 20 0 GBADLO COC(=O)c1c[nH]nc1S(=O)(=O)NCCC[NH2+][C@H](C(=O)OC)C(C)C ZINC000912552622 637472945 /nfs/dbraw/zinc/47/29/45/637472945.db2.gz ITIKKFAPVZMVPG-NSHDSACASA-N 1 2 376.435 -0.348 20 0 GBADLO C[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)[C@@H](CO)C1 ZINC000912746977 637473243 /nfs/dbraw/zinc/47/32/43/637473243.db2.gz WMNYGCHHYIOIMT-GFCCVEGCSA-N 1 2 388.515 -0.499 20 0 GBADLO C[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)[C@@H](CO)C1 ZINC000912746977 637473238 /nfs/dbraw/zinc/47/32/38/637473238.db2.gz WMNYGCHHYIOIMT-GFCCVEGCSA-N 1 2 388.515 -0.499 20 0 GBADLO C[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)[C@H](CO)C1 ZINC000912746978 637473317 /nfs/dbraw/zinc/47/33/17/637473317.db2.gz WMNYGCHHYIOIMT-LBPRGKRZSA-N 1 2 388.515 -0.499 20 0 GBADLO C[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)[C@H](CO)C1 ZINC000912746978 637473310 /nfs/dbraw/zinc/47/33/10/637473310.db2.gz WMNYGCHHYIOIMT-LBPRGKRZSA-N 1 2 388.515 -0.499 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912896641 637473999 /nfs/dbraw/zinc/47/39/99/637473999.db2.gz JIOHDRGVOXTZBG-CYBMUJFWSA-N 1 2 395.547 -0.388 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912896641 637473994 /nfs/dbraw/zinc/47/39/94/637473994.db2.gz JIOHDRGVOXTZBG-CYBMUJFWSA-N 1 2 395.547 -0.388 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912896642 637474067 /nfs/dbraw/zinc/47/40/67/637474067.db2.gz JIOHDRGVOXTZBG-ZDUSSCGKSA-N 1 2 395.547 -0.388 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912896642 637474035 /nfs/dbraw/zinc/47/40/35/637474035.db2.gz JIOHDRGVOXTZBG-ZDUSSCGKSA-N 1 2 395.547 -0.388 20 0 GBADLO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912896717 637473924 /nfs/dbraw/zinc/47/39/24/637473924.db2.gz DUZLLJYWTGAVRJ-CQSZACIVSA-N 1 2 375.491 -0.342 20 0 GBADLO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912896717 637473916 /nfs/dbraw/zinc/47/39/16/637473916.db2.gz DUZLLJYWTGAVRJ-CQSZACIVSA-N 1 2 375.491 -0.342 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913469875 637477835 /nfs/dbraw/zinc/47/78/35/637477835.db2.gz RVDNOODUTDAXMD-KBPBESRZSA-N 1 2 389.547 -0.046 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913469876 637477778 /nfs/dbraw/zinc/47/77/78/637477778.db2.gz RVDNOODUTDAXMD-KGLIPLIRSA-N 1 2 389.547 -0.046 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913469877 637477635 /nfs/dbraw/zinc/47/76/35/637477635.db2.gz RVDNOODUTDAXMD-UONOGXRCSA-N 1 2 389.547 -0.046 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913469878 637477839 /nfs/dbraw/zinc/47/78/39/637477839.db2.gz RVDNOODUTDAXMD-ZIAGYGMSSA-N 1 2 389.547 -0.046 20 0 GBADLO C[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@@H]1CO ZINC000913551692 637477549 /nfs/dbraw/zinc/47/75/49/637477549.db2.gz WUTPGBSENUMVOS-GFCCVEGCSA-N 1 2 388.515 -0.499 20 0 GBADLO C[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@@H]1CO ZINC000913551692 637477540 /nfs/dbraw/zinc/47/75/40/637477540.db2.gz WUTPGBSENUMVOS-GFCCVEGCSA-N 1 2 388.515 -0.499 20 0 GBADLO C[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@H]1CO ZINC000913551693 637477801 /nfs/dbraw/zinc/47/78/01/637477801.db2.gz WUTPGBSENUMVOS-LBPRGKRZSA-N 1 2 388.515 -0.499 20 0 GBADLO C[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C[C@H]1CO ZINC000913551693 637477797 /nfs/dbraw/zinc/47/77/97/637477797.db2.gz WUTPGBSENUMVOS-LBPRGKRZSA-N 1 2 388.515 -0.499 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000913751676 637502582 /nfs/dbraw/zinc/50/25/82/637502582.db2.gz MXIUYIGMEWHKHK-UHFFFAOYSA-N 1 2 375.491 -0.200 20 0 GBADLO COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000913860862 637503939 /nfs/dbraw/zinc/50/39/39/637503939.db2.gz QEIJUHSYZLVXCU-CABCVRRESA-N 1 2 380.532 -0.062 20 0 GBADLO COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913860862 637503931 /nfs/dbraw/zinc/50/39/31/637503931.db2.gz QEIJUHSYZLVXCU-CABCVRRESA-N 1 2 380.532 -0.062 20 0 GBADLO CC(C)(C)OC(=O)C1CCN(S(=O)(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000913862242 637503413 /nfs/dbraw/zinc/50/34/13/637503413.db2.gz DQSWHBXPQXGZKL-UHFFFAOYSA-N 1 2 377.507 -0.105 20 0 GBADLO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000913862549 637503436 /nfs/dbraw/zinc/50/34/36/637503436.db2.gz SHYCSBCSECZHIR-UHFFFAOYSA-N 1 2 378.495 -0.606 20 0 GBADLO O=S(=O)([C@@H]1COC[C@H]1O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000913966560 637504722 /nfs/dbraw/zinc/50/47/22/637504722.db2.gz JLGUSMUNAULSOD-VXGBXAGGSA-N 1 2 376.397 -0.338 20 0 GBADLO Cc1nn(CCS(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(=O)o1 ZINC000914280869 637507753 /nfs/dbraw/zinc/50/77/53/637507753.db2.gz DERAVUKDLALCSU-UHFFFAOYSA-N 1 2 376.479 -0.235 20 0 GBADLO CC(C)(CNS(C)(=O)=O)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000914329022 637507809 /nfs/dbraw/zinc/50/78/09/637507809.db2.gz VMAIJTKOVCOEQK-HNNXBMFYSA-N 1 2 394.563 -0.179 20 0 GBADLO CC(C)(CNS(C)(=O)=O)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000914329023 637507699 /nfs/dbraw/zinc/50/76/99/637507699.db2.gz VMAIJTKOVCOEQK-OAHLLOKOSA-N 1 2 394.563 -0.179 20 0 GBADLO NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000914536774 637510627 /nfs/dbraw/zinc/51/06/27/637510627.db2.gz BKOKCLQIZUPLNC-JTQLQIEISA-N 1 2 377.850 -0.590 20 0 GBADLO NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000914536778 637510349 /nfs/dbraw/zinc/51/03/49/637510349.db2.gz BKOKCLQIZUPLNC-SNVBAGLBSA-N 1 2 377.850 -0.590 20 0 GBADLO CS(=O)(=O)NCCC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000914650035 637511871 /nfs/dbraw/zinc/51/18/71/637511871.db2.gz YTISCSUCJSODFP-UHFFFAOYSA-N 1 2 389.499 -0.125 20 0 GBADLO CN(C)S(=O)(=O)N1CC[NH+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000914789113 637512751 /nfs/dbraw/zinc/51/27/51/637512751.db2.gz IUVRUFHREFYNCZ-UHFFFAOYSA-N 1 2 389.503 -0.400 20 0 GBADLO CN(CC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1)S(C)(=O)=O ZINC000914923689 637513978 /nfs/dbraw/zinc/51/39/78/637513978.db2.gz OSWLDFUSRGQQKA-UHFFFAOYSA-N 1 2 389.499 -0.173 20 0 GBADLO CCn1cnn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1=S ZINC000915207912 637517873 /nfs/dbraw/zinc/51/78/73/637517873.db2.gz IIVHVKCQFYMZPA-UHFFFAOYSA-N 1 2 389.551 -0.499 20 0 GBADLO O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCCS(=O)(=O)C1CCOCC1 ZINC000916100282 637532581 /nfs/dbraw/zinc/53/25/81/637532581.db2.gz AZKJGIQUJCRNRW-HNNXBMFYSA-N 1 2 380.532 -0.015 20 0 GBADLO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCCS(=O)(=O)C1CCOCC1 ZINC000916100282 637532578 /nfs/dbraw/zinc/53/25/78/637532578.db2.gz AZKJGIQUJCRNRW-HNNXBMFYSA-N 1 2 380.532 -0.015 20 0 GBADLO O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000916615018 637533757 /nfs/dbraw/zinc/53/37/57/637533757.db2.gz PTYZBCMAZADVHL-GJZGRUSLSA-N 1 2 378.516 -0.308 20 0 GBADLO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000916615018 637533748 /nfs/dbraw/zinc/53/37/48/637533748.db2.gz PTYZBCMAZADVHL-GJZGRUSLSA-N 1 2 378.516 -0.308 20 0 GBADLO O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000916615019 677367547 /nfs/dbraw/zinc/36/75/47/677367547.db2.gz PTYZBCMAZADVHL-LSDHHAIUSA-N 1 2 378.516 -0.308 20 0 GBADLO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000916615019 677367546 /nfs/dbraw/zinc/36/75/46/677367546.db2.gz PTYZBCMAZADVHL-LSDHHAIUSA-N 1 2 378.516 -0.308 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000917046013 637535342 /nfs/dbraw/zinc/53/53/42/637535342.db2.gz SGYRETWGRYFIEK-CYBMUJFWSA-N 1 2 388.515 -0.737 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000917046013 637535337 /nfs/dbraw/zinc/53/53/37/637535337.db2.gz SGYRETWGRYFIEK-CYBMUJFWSA-N 1 2 388.515 -0.737 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000917046015 637535661 /nfs/dbraw/zinc/53/56/61/637535661.db2.gz SGYRETWGRYFIEK-ZDUSSCGKSA-N 1 2 388.515 -0.737 20 0 GBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000917046015 637535658 /nfs/dbraw/zinc/53/56/58/637535658.db2.gz SGYRETWGRYFIEK-ZDUSSCGKSA-N 1 2 388.515 -0.737 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000917051028 637535543 /nfs/dbraw/zinc/53/55/43/637535543.db2.gz PPUSRCITLQQJBE-CYBMUJFWSA-N 1 2 388.515 -0.737 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000917051028 637535538 /nfs/dbraw/zinc/53/55/38/637535538.db2.gz PPUSRCITLQQJBE-CYBMUJFWSA-N 1 2 388.515 -0.737 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000917051029 637535818 /nfs/dbraw/zinc/53/58/18/637535818.db2.gz PPUSRCITLQQJBE-ZDUSSCGKSA-N 1 2 388.515 -0.737 20 0 GBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000917051029 637535813 /nfs/dbraw/zinc/53/58/13/637535813.db2.gz PPUSRCITLQQJBE-ZDUSSCGKSA-N 1 2 388.515 -0.737 20 0 GBADLO CS(=O)(=O)Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000917051532 637535782 /nfs/dbraw/zinc/53/57/82/637535782.db2.gz WSQQQMPQIOOSDW-HNNXBMFYSA-N 1 2 387.527 -0.101 20 0 GBADLO CS(=O)(=O)Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000917051532 637535778 /nfs/dbraw/zinc/53/57/78/637535778.db2.gz WSQQQMPQIOOSDW-HNNXBMFYSA-N 1 2 387.527 -0.101 20 0 GBADLO CS(=O)(=O)Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000917051535 637535804 /nfs/dbraw/zinc/53/58/04/637535804.db2.gz WSQQQMPQIOOSDW-OAHLLOKOSA-N 1 2 387.527 -0.101 20 0 GBADLO CS(=O)(=O)Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000917051535 637535799 /nfs/dbraw/zinc/53/57/99/637535799.db2.gz WSQQQMPQIOOSDW-OAHLLOKOSA-N 1 2 387.527 -0.101 20 0 GBADLO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1F ZINC000917056577 637535676 /nfs/dbraw/zinc/53/56/76/637535676.db2.gz WDGHTGCRRNYSNB-GFCCVEGCSA-N 1 2 391.490 -0.103 20 0 GBADLO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1F ZINC000917056577 637535665 /nfs/dbraw/zinc/53/56/65/637535665.db2.gz WDGHTGCRRNYSNB-GFCCVEGCSA-N 1 2 391.490 -0.103 20 0 GBADLO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1F ZINC000917056578 637535521 /nfs/dbraw/zinc/53/55/21/637535521.db2.gz WDGHTGCRRNYSNB-LBPRGKRZSA-N 1 2 391.490 -0.103 20 0 GBADLO CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1F ZINC000917056578 637535517 /nfs/dbraw/zinc/53/55/17/637535517.db2.gz WDGHTGCRRNYSNB-LBPRGKRZSA-N 1 2 391.490 -0.103 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917061074 637535764 /nfs/dbraw/zinc/53/57/64/637535764.db2.gz CHCJHGFVOGJQEO-CYBMUJFWSA-N 1 2 388.515 -0.737 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917061074 637535757 /nfs/dbraw/zinc/53/57/57/637535757.db2.gz CHCJHGFVOGJQEO-CYBMUJFWSA-N 1 2 388.515 -0.737 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917061075 637535375 /nfs/dbraw/zinc/53/53/75/637535375.db2.gz CHCJHGFVOGJQEO-ZDUSSCGKSA-N 1 2 388.515 -0.737 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917061075 637535365 /nfs/dbraw/zinc/53/53/65/637535365.db2.gz CHCJHGFVOGJQEO-ZDUSSCGKSA-N 1 2 388.515 -0.737 20 0 GBADLO Cn1ncc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1Br ZINC000917065954 637535490 /nfs/dbraw/zinc/53/54/90/637535490.db2.gz CTFDSTBKVFWOTR-JTQLQIEISA-N 1 2 378.296 -0.149 20 0 GBADLO Cn1ncc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1Br ZINC000917065954 637535484 /nfs/dbraw/zinc/53/54/84/637535484.db2.gz CTFDSTBKVFWOTR-JTQLQIEISA-N 1 2 378.296 -0.149 20 0 GBADLO Cn1ncc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1Br ZINC000917065955 637535624 /nfs/dbraw/zinc/53/56/24/637535624.db2.gz CTFDSTBKVFWOTR-SNVBAGLBSA-N 1 2 378.296 -0.149 20 0 GBADLO Cn1ncc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1Br ZINC000917065955 637535616 /nfs/dbraw/zinc/53/56/16/637535616.db2.gz CTFDSTBKVFWOTR-SNVBAGLBSA-N 1 2 378.296 -0.149 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c(Br)n1 ZINC000917067084 637536234 /nfs/dbraw/zinc/53/62/34/637536234.db2.gz VRKVQPJOYXIOLU-JTQLQIEISA-N 1 2 378.296 -0.149 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(Br)n1 ZINC000917067084 637536230 /nfs/dbraw/zinc/53/62/30/637536230.db2.gz VRKVQPJOYXIOLU-JTQLQIEISA-N 1 2 378.296 -0.149 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(Br)n1 ZINC000917067085 637536405 /nfs/dbraw/zinc/53/64/05/637536405.db2.gz VRKVQPJOYXIOLU-SNVBAGLBSA-N 1 2 378.296 -0.149 20 0 GBADLO Cn1cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(Br)n1 ZINC000917067085 637536400 /nfs/dbraw/zinc/53/64/00/637536400.db2.gz VRKVQPJOYXIOLU-SNVBAGLBSA-N 1 2 378.296 -0.149 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000917101976 637536445 /nfs/dbraw/zinc/53/64/45/637536445.db2.gz HXXPIGUQSUPKNC-AWEZNQCLSA-N 1 2 375.491 -0.244 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000917101976 637536442 /nfs/dbraw/zinc/53/64/42/637536442.db2.gz HXXPIGUQSUPKNC-AWEZNQCLSA-N 1 2 375.491 -0.244 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000917101977 637536313 /nfs/dbraw/zinc/53/63/13/637536313.db2.gz HXXPIGUQSUPKNC-CQSZACIVSA-N 1 2 375.491 -0.244 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000917101977 637536310 /nfs/dbraw/zinc/53/63/10/637536310.db2.gz HXXPIGUQSUPKNC-CQSZACIVSA-N 1 2 375.491 -0.244 20 0 GBADLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000917122174 637536459 /nfs/dbraw/zinc/53/64/59/637536459.db2.gz MEXLEYVSJFPEET-CYBMUJFWSA-N 1 2 378.495 -0.405 20 0 GBADLO CCOC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000917122174 637536454 /nfs/dbraw/zinc/53/64/54/637536454.db2.gz MEXLEYVSJFPEET-CYBMUJFWSA-N 1 2 378.495 -0.405 20 0 GBADLO CCOC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000917122175 637536336 /nfs/dbraw/zinc/53/63/36/637536336.db2.gz MEXLEYVSJFPEET-ZDUSSCGKSA-N 1 2 378.495 -0.405 20 0 GBADLO CCOC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000917122175 637536330 /nfs/dbraw/zinc/53/63/30/637536330.db2.gz MEXLEYVSJFPEET-ZDUSSCGKSA-N 1 2 378.495 -0.405 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000917306534 637536797 /nfs/dbraw/zinc/53/67/97/637536797.db2.gz DQSMWRFYBWZCFA-AWEZNQCLSA-N 1 2 394.563 -0.225 20 0 GBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000917306555 637537032 /nfs/dbraw/zinc/53/70/32/637537032.db2.gz DQSMWRFYBWZCFA-CQSZACIVSA-N 1 2 394.563 -0.225 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)C[C@@]34CC[N@@H+](C3)CCC4)C[C@H]21 ZINC000917442264 637537359 /nfs/dbraw/zinc/53/73/59/637537359.db2.gz QCSFOPFCLKEFJO-XGUBFFRZSA-N 1 2 378.516 -0.454 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)C[C@H]21 ZINC000917442264 637537358 /nfs/dbraw/zinc/53/73/58/637537358.db2.gz QCSFOPFCLKEFJO-XGUBFFRZSA-N 1 2 378.516 -0.454 20 0 GBADLO O=S(=O)(CCn1cc[nH+]c1)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC000918119290 637539648 /nfs/dbraw/zinc/53/96/48/637539648.db2.gz HHAVNDPPKNTVOY-AWEZNQCLSA-N 1 2 376.504 -0.592 20 0 GBADLO O=S(=O)(CCn1cc[nH+]c1)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC000918119300 637539761 /nfs/dbraw/zinc/53/97/61/637539761.db2.gz HHAVNDPPKNTVOY-CQSZACIVSA-N 1 2 376.504 -0.592 20 0 GBADLO COCCS(=O)(=O)CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000918557067 637542768 /nfs/dbraw/zinc/54/27/68/637542768.db2.gz AJWKSPAYJLPMJQ-CYBMUJFWSA-N 1 2 384.520 -0.985 20 0 GBADLO COCCS(=O)(=O)CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000918557068 637542998 /nfs/dbraw/zinc/54/29/98/637542998.db2.gz AJWKSPAYJLPMJQ-ZDUSSCGKSA-N 1 2 384.520 -0.985 20 0 GBADLO CS(=O)(=O)NCCC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000919072198 637544939 /nfs/dbraw/zinc/54/49/39/637544939.db2.gz LAHYEBLFYOKIKT-UHFFFAOYSA-N 1 2 389.499 -0.125 20 0 GBADLO CN(CC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1)S(C)(=O)=O ZINC000919083014 637544965 /nfs/dbraw/zinc/54/49/65/637544965.db2.gz KTPQTUPSOPUYST-UHFFFAOYSA-N 1 2 389.499 -0.173 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000919988226 637551683 /nfs/dbraw/zinc/55/16/83/637551683.db2.gz DBAISLYNECSDAL-CHWSQXEVSA-N 1 2 390.531 -0.493 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000919988226 637551678 /nfs/dbraw/zinc/55/16/78/637551678.db2.gz DBAISLYNECSDAL-CHWSQXEVSA-N 1 2 390.531 -0.493 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000919988227 637551516 /nfs/dbraw/zinc/55/15/16/637551516.db2.gz DBAISLYNECSDAL-OLZOCXBDSA-N 1 2 390.531 -0.493 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000919988227 637551510 /nfs/dbraw/zinc/55/15/10/637551510.db2.gz DBAISLYNECSDAL-OLZOCXBDSA-N 1 2 390.531 -0.493 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000919988228 637551570 /nfs/dbraw/zinc/55/15/70/637551570.db2.gz DBAISLYNECSDAL-QWHCGFSZSA-N 1 2 390.531 -0.493 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000919988228 637551562 /nfs/dbraw/zinc/55/15/62/637551562.db2.gz DBAISLYNECSDAL-QWHCGFSZSA-N 1 2 390.531 -0.493 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000919988229 637551471 /nfs/dbraw/zinc/55/14/71/637551471.db2.gz DBAISLYNECSDAL-STQMWFEESA-N 1 2 390.531 -0.493 20 0 GBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000919988229 637551462 /nfs/dbraw/zinc/55/14/62/637551462.db2.gz DBAISLYNECSDAL-STQMWFEESA-N 1 2 390.531 -0.493 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000920008879 637552370 /nfs/dbraw/zinc/55/23/70/637552370.db2.gz IFPIUWYCEPBQKG-KBPBESRZSA-N 1 2 377.511 -0.771 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000920008879 637552366 /nfs/dbraw/zinc/55/23/66/637552366.db2.gz IFPIUWYCEPBQKG-KBPBESRZSA-N 1 2 377.511 -0.771 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000920008881 637552235 /nfs/dbraw/zinc/55/22/35/637552235.db2.gz IFPIUWYCEPBQKG-KGLIPLIRSA-N 1 2 377.511 -0.771 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000920008881 637552231 /nfs/dbraw/zinc/55/22/31/637552231.db2.gz IFPIUWYCEPBQKG-KGLIPLIRSA-N 1 2 377.511 -0.771 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000920008882 637552122 /nfs/dbraw/zinc/55/21/22/637552122.db2.gz IFPIUWYCEPBQKG-UONOGXRCSA-N 1 2 377.511 -0.771 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000920008882 637552119 /nfs/dbraw/zinc/55/21/19/637552119.db2.gz IFPIUWYCEPBQKG-UONOGXRCSA-N 1 2 377.511 -0.771 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000920008884 637552387 /nfs/dbraw/zinc/55/23/87/637552387.db2.gz IFPIUWYCEPBQKG-ZIAGYGMSSA-N 1 2 377.511 -0.771 20 0 GBADLO CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000920008884 637552385 /nfs/dbraw/zinc/55/23/85/637552385.db2.gz IFPIUWYCEPBQKG-ZIAGYGMSSA-N 1 2 377.511 -0.771 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000920017986 637552343 /nfs/dbraw/zinc/55/23/43/637552343.db2.gz DMGSWIVBRPJCSX-KFWWJZLASA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000920017986 637552339 /nfs/dbraw/zinc/55/23/39/637552339.db2.gz DMGSWIVBRPJCSX-KFWWJZLASA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC000920017987 637552110 /nfs/dbraw/zinc/55/21/10/637552110.db2.gz DMGSWIVBRPJCSX-RBSFLKMASA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC000920017987 637552107 /nfs/dbraw/zinc/55/21/07/637552107.db2.gz DMGSWIVBRPJCSX-RBSFLKMASA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC000920017988 637552501 /nfs/dbraw/zinc/55/25/01/637552501.db2.gz DMGSWIVBRPJCSX-RRFJBIMHSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC000920017988 637552499 /nfs/dbraw/zinc/55/24/99/637552499.db2.gz DMGSWIVBRPJCSX-RRFJBIMHSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000920017989 637552141 /nfs/dbraw/zinc/55/21/41/637552141.db2.gz DMGSWIVBRPJCSX-ZNMIVQPWSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000920017989 637552138 /nfs/dbraw/zinc/55/21/38/637552138.db2.gz DMGSWIVBRPJCSX-ZNMIVQPWSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000920023168 637552157 /nfs/dbraw/zinc/55/21/57/637552157.db2.gz YFRGMVUCAYKHPF-DZGCQCFKSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000920023168 637552156 /nfs/dbraw/zinc/55/21/56/637552156.db2.gz YFRGMVUCAYKHPF-DZGCQCFKSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000920023170 637552415 /nfs/dbraw/zinc/55/24/15/637552415.db2.gz YFRGMVUCAYKHPF-HIFRSBDPSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000920023170 637552406 /nfs/dbraw/zinc/55/24/06/637552406.db2.gz YFRGMVUCAYKHPF-HIFRSBDPSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000920023171 637552191 /nfs/dbraw/zinc/55/21/91/637552191.db2.gz YFRGMVUCAYKHPF-UKRRQHHQSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000920023171 637552190 /nfs/dbraw/zinc/55/21/90/637552190.db2.gz YFRGMVUCAYKHPF-UKRRQHHQSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000920023173 637552255 /nfs/dbraw/zinc/55/22/55/637552255.db2.gz YFRGMVUCAYKHPF-ZFWWWQNUSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000920023173 637552252 /nfs/dbraw/zinc/55/22/52/637552252.db2.gz YFRGMVUCAYKHPF-ZFWWWQNUSA-N 1 2 376.523 -0.270 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000920101929 637553023 /nfs/dbraw/zinc/55/30/23/637553023.db2.gz ADOLIECIIJMASI-CYBMUJFWSA-N 1 2 377.463 -0.703 20 0 GBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000920101929 637553014 /nfs/dbraw/zinc/55/30/14/637553014.db2.gz ADOLIECIIJMASI-CYBMUJFWSA-N 1 2 377.463 -0.703 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000920101930 637553101 /nfs/dbraw/zinc/55/31/01/637553101.db2.gz ADOLIECIIJMASI-ZDUSSCGKSA-N 1 2 377.463 -0.703 20 0 GBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000920101930 637553090 /nfs/dbraw/zinc/55/30/90/637553090.db2.gz ADOLIECIIJMASI-ZDUSSCGKSA-N 1 2 377.463 -0.703 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC000920102736 637553179 /nfs/dbraw/zinc/55/31/79/637553179.db2.gz LOPAQAKWNLDTKD-UHFFFAOYSA-N 1 2 377.463 -0.845 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC000920102736 637553177 /nfs/dbraw/zinc/55/31/77/637553177.db2.gz LOPAQAKWNLDTKD-UHFFFAOYSA-N 1 2 377.463 -0.845 20 0 GBADLO O=C1CC[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@H]([C@H]2CCCO2)N1 ZINC000920260016 637553217 /nfs/dbraw/zinc/55/32/17/637553217.db2.gz FIHUNTXRWZKHNQ-IIAWOOMASA-N 1 2 375.491 -0.546 20 0 GBADLO O=C1CC[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@H]([C@@H]2CCCO2)N1 ZINC000920260019 637553149 /nfs/dbraw/zinc/55/31/49/637553149.db2.gz FIHUNTXRWZKHNQ-IJEWVQPXSA-N 1 2 375.491 -0.546 20 0 GBADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)c(Br)n1C ZINC000920526767 637555894 /nfs/dbraw/zinc/55/58/94/637555894.db2.gz ITURRSNCEAZPNK-UHFFFAOYSA-N 1 2 394.295 -0.457 20 0 GBADLO CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921093734 637557932 /nfs/dbraw/zinc/55/79/32/637557932.db2.gz QTJDPPCCEGDHLI-UHFFFAOYSA-N 1 2 384.549 -0.094 20 0 GBADLO CN1CC[C@H]1CNS(=O)(=O)CCCCS(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921411160 637559219 /nfs/dbraw/zinc/55/92/19/637559219.db2.gz MLERDAXPDITHCB-KBPBESRZSA-N 1 2 382.552 -0.986 20 0 GBADLO CN1CC[C@H]1CNS(=O)(=O)CCCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921411160 637559215 /nfs/dbraw/zinc/55/92/15/637559215.db2.gz MLERDAXPDITHCB-KBPBESRZSA-N 1 2 382.552 -0.986 20 0 GBADLO CN1CC[C@@H]1CNS(=O)(=O)CCCCS(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921411162 637559016 /nfs/dbraw/zinc/55/90/16/637559016.db2.gz MLERDAXPDITHCB-ZIAGYGMSSA-N 1 2 382.552 -0.986 20 0 GBADLO CN1CC[C@@H]1CNS(=O)(=O)CCCCS(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921411162 637559012 /nfs/dbraw/zinc/55/90/12/637559012.db2.gz MLERDAXPDITHCB-ZIAGYGMSSA-N 1 2 382.552 -0.986 20 0 GBADLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000921415199 637559180 /nfs/dbraw/zinc/55/91/80/637559180.db2.gz HDXPPWBREFKFAQ-CYBMUJFWSA-N 1 2 389.499 -0.310 20 0 GBADLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000921415199 637559176 /nfs/dbraw/zinc/55/91/76/637559176.db2.gz HDXPPWBREFKFAQ-CYBMUJFWSA-N 1 2 389.499 -0.310 20 0 GBADLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000921415200 637559154 /nfs/dbraw/zinc/55/91/54/637559154.db2.gz HDXPPWBREFKFAQ-ZDUSSCGKSA-N 1 2 389.499 -0.310 20 0 GBADLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000921415200 637559153 /nfs/dbraw/zinc/55/91/53/637559153.db2.gz HDXPPWBREFKFAQ-ZDUSSCGKSA-N 1 2 389.499 -0.310 20 0 GBADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000921951018 637595886 /nfs/dbraw/zinc/59/58/86/637595886.db2.gz BNJLEIIMVZPDBH-CYBMUJFWSA-N 1 2 386.499 -0.803 20 0 GBADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000921951018 637595880 /nfs/dbraw/zinc/59/58/80/637595880.db2.gz BNJLEIIMVZPDBH-CYBMUJFWSA-N 1 2 386.499 -0.803 20 0 GBADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000921951027 637595956 /nfs/dbraw/zinc/59/59/56/637595956.db2.gz BNJLEIIMVZPDBH-ZDUSSCGKSA-N 1 2 386.499 -0.803 20 0 GBADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000921951027 637595950 /nfs/dbraw/zinc/59/59/50/637595950.db2.gz BNJLEIIMVZPDBH-ZDUSSCGKSA-N 1 2 386.499 -0.803 20 0 GBADLO C[C@H](C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H](C)S(C)(=O)=O ZINC000922344108 637600229 /nfs/dbraw/zinc/60/02/29/637600229.db2.gz GSYSKDCZNIDJDG-ARFHVFGLSA-N 1 2 375.535 -0.032 20 0 GBADLO C[C@H](C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H](C)S(C)(=O)=O ZINC000922344120 637600326 /nfs/dbraw/zinc/60/03/26/637600326.db2.gz GSYSKDCZNIDJDG-HRCADAONSA-N 1 2 375.535 -0.032 20 0 GBADLO C[C@H](C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H](C)S(C)(=O)=O ZINC000922344122 637600143 /nfs/dbraw/zinc/60/01/43/637600143.db2.gz GSYSKDCZNIDJDG-JYJNAYRXSA-N 1 2 375.535 -0.032 20 0 GBADLO C[C@H](C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H](C)S(C)(=O)=O ZINC000922344124 637600271 /nfs/dbraw/zinc/60/02/71/637600271.db2.gz GSYSKDCZNIDJDG-XHSDSOJGSA-N 1 2 375.535 -0.032 20 0 GBADLO CN(C)S(=O)(=O)N1CC(NC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000923471565 637606032 /nfs/dbraw/zinc/60/60/32/637606032.db2.gz RDJCMFDNNLLCKV-UHFFFAOYSA-N 1 2 376.508 -0.506 20 0 GBADLO CS(=O)(=O)N1CC[C@@H](COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000923772532 637355411 /nfs/dbraw/zinc/35/54/11/637355411.db2.gz UUWOBFQKHNZJKF-KFWWJZLASA-N 1 2 376.475 -0.309 20 0 GBADLO CS(=O)(=O)N1CC[C@H](COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000923772536 637355519 /nfs/dbraw/zinc/35/55/19/637355519.db2.gz UUWOBFQKHNZJKF-ZNMIVQPWSA-N 1 2 376.475 -0.309 20 0 GBADLO COC(=O)CCN1CCC[C@@H](OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1=O ZINC000923772663 1072468405 /nfs/dbraw/zinc/46/84/05/1072468405.db2.gz VVZUUIWPGUPOAU-OAGGEKHMSA-N 1 2 398.456 -0.037 20 0 GBADLO COC(=O)CCN1CCC[C@H](OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1=O ZINC000923772668 1072468305 /nfs/dbraw/zinc/46/83/05/1072468305.db2.gz VVZUUIWPGUPOAU-PMPSAXMXSA-N 1 2 398.456 -0.037 20 0 GBADLO COC(=O)CCN1CC[C@H](OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1=O ZINC000923772923 1072600204 /nfs/dbraw/zinc/60/02/04/1072600204.db2.gz XBIMWFAPEZIZIN-ILXRZTDVSA-N 1 2 384.429 -0.427 20 0 GBADLO COC(=O)CCN1CC[C@@H](OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1=O ZINC000923772929 1072600084 /nfs/dbraw/zinc/60/00/84/1072600084.db2.gz XBIMWFAPEZIZIN-KFWWJZLASA-N 1 2 384.429 -0.427 20 0 GBADLO Cn1cc(N2CC[C@@H](OC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2=O)cn1 ZINC000923775531 1072760938 /nfs/dbraw/zinc/76/09/38/1072760938.db2.gz JYMQFPHPSOIKRZ-OAGGEKHMSA-N 1 2 378.429 -0.052 20 0 GBADLO Cn1cc(N2CC[C@H](OC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2=O)cn1 ZINC000923775532 1072761057 /nfs/dbraw/zinc/76/10/57/1072761057.db2.gz JYMQFPHPSOIKRZ-PMPSAXMXSA-N 1 2 378.429 -0.052 20 0 GBADLO CN(Cc1cnn(C)c1)C(=O)COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923775615 1072761103 /nfs/dbraw/zinc/76/11/03/1072761103.db2.gz AGRFEGPIBDMCRV-CVEARBPZSA-N 1 2 380.445 -0.199 20 0 GBADLO CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000923777315 1072808190 /nfs/dbraw/zinc/80/81/90/1072808190.db2.gz OWWIDOIJPUFEDI-BBWFWOEESA-N 1 2 397.472 -0.464 20 0 GBADLO CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000923777321 1072808781 /nfs/dbraw/zinc/80/87/81/1072808781.db2.gz OWWIDOIJPUFEDI-ZACQAIPSSA-N 1 2 397.472 -0.464 20 0 GBADLO CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000923778091 1072825869 /nfs/dbraw/zinc/82/58/69/1072825869.db2.gz PJVWGFNJHUTSMJ-OIISXLGYSA-N 1 2 397.472 -0.511 20 0 GBADLO CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000923778093 1072825240 /nfs/dbraw/zinc/82/52/40/1072825240.db2.gz PJVWGFNJHUTSMJ-UAGQMJEPSA-N 1 2 397.472 -0.511 20 0 GBADLO O=C(COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)NCCCn1cccn1 ZINC000923778539 1072830690 /nfs/dbraw/zinc/83/06/90/1072830690.db2.gz WUOBSKUZXOIORS-CVEARBPZSA-N 1 2 380.445 -0.188 20 0 GBADLO O=C(COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC2(CC1)OCCO2 ZINC000923778681 1072829918 /nfs/dbraw/zinc/82/99/18/1072829918.db2.gz ZZPAMANAHWIXKG-CVEARBPZSA-N 1 2 398.456 -0.225 20 0 GBADLO CCCNC(=O)CN(C)C(=O)COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923778746 1072831380 /nfs/dbraw/zinc/83/13/80/1072831380.db2.gz BWVMCGATKJVDMU-CABCVRRESA-N 1 2 385.461 -0.606 20 0 GBADLO CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923779146 1072839580 /nfs/dbraw/zinc/83/95/80/1072839580.db2.gz LPLXZGRUHCDRED-CVEARBPZSA-N 1 2 399.488 -0.218 20 0 GBADLO O=C(COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)NCCCN1CCCC1=O ZINC000923780554 1072881301 /nfs/dbraw/zinc/88/13/01/1072881301.db2.gz MTPNVDSTGGGFDE-CVEARBPZSA-N 1 2 397.472 -0.462 20 0 GBADLO CC(=O)N1CCN(C(=O)COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000923780561 1072880833 /nfs/dbraw/zinc/88/08/33/1072880833.db2.gz MVWVMXOHMPOVHR-CVEARBPZSA-N 1 2 383.445 -0.900 20 0 GBADLO O=C(COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)NCC(=O)N1CCCC1 ZINC000923781345 1072895907 /nfs/dbraw/zinc/89/59/07/1072895907.db2.gz WWBOLHWPIBAUGR-CABCVRRESA-N 1 2 383.445 -0.852 20 0 GBADLO COC(=O)C1CCN(C(=O)COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000923781450 1072896066 /nfs/dbraw/zinc/89/60/66/1072896066.db2.gz YFHKPCCKAIKZNV-CVEARBPZSA-N 1 2 398.456 -0.179 20 0 GBADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC2(S(=O)(=O)N(C)C)CC2)C1 ZINC000924227456 638328376 /nfs/dbraw/zinc/32/83/76/638328376.db2.gz GRPNXZYOBFLIPW-CYBMUJFWSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC2(S(=O)(=O)N(C)C)CC2)C1 ZINC000924227456 638328372 /nfs/dbraw/zinc/32/83/72/638328372.db2.gz GRPNXZYOBFLIPW-CYBMUJFWSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC2(S(=O)(=O)N(C)C)CC2)C1 ZINC000924227458 638329223 /nfs/dbraw/zinc/32/92/23/638329223.db2.gz GRPNXZYOBFLIPW-ZDUSSCGKSA-N 1 2 375.491 -0.198 20 0 GBADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC2(S(=O)(=O)N(C)C)CC2)C1 ZINC000924227458 638329219 /nfs/dbraw/zinc/32/92/19/638329219.db2.gz GRPNXZYOBFLIPW-ZDUSSCGKSA-N 1 2 375.491 -0.198 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)CCO1 ZINC000924520585 1072603761 /nfs/dbraw/zinc/60/37/61/1072603761.db2.gz MLQUMCKCOAKZMW-IJLUTSLNSA-N 1 2 382.383 -0.076 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)CCO1 ZINC000924520585 1072603758 /nfs/dbraw/zinc/60/37/58/1072603758.db2.gz MLQUMCKCOAKZMW-IJLUTSLNSA-N 1 2 382.383 -0.076 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)CCO1 ZINC000924520587 1072603858 /nfs/dbraw/zinc/60/38/58/1072603858.db2.gz MLQUMCKCOAKZMW-QJPTWQEYSA-N 1 2 382.383 -0.076 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)CCO1 ZINC000924520587 1072603853 /nfs/dbraw/zinc/60/38/53/1072603853.db2.gz MLQUMCKCOAKZMW-QJPTWQEYSA-N 1 2 382.383 -0.076 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)CCO1 ZINC000924520588 1072604702 /nfs/dbraw/zinc/60/47/02/1072604702.db2.gz MLQUMCKCOAKZMW-TUAOUCFPSA-N 1 2 382.383 -0.076 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)CCO1 ZINC000924520588 1072604695 /nfs/dbraw/zinc/60/46/95/1072604695.db2.gz MLQUMCKCOAKZMW-TUAOUCFPSA-N 1 2 382.383 -0.076 20 0 GBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)CCO1 ZINC000924520591 1072604831 /nfs/dbraw/zinc/60/48/31/1072604831.db2.gz MLQUMCKCOAKZMW-UTUOFQBUSA-N 1 2 382.383 -0.076 20 0 GBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)CCO1 ZINC000924520591 1072604828 /nfs/dbraw/zinc/60/48/28/1072604828.db2.gz MLQUMCKCOAKZMW-UTUOFQBUSA-N 1 2 382.383 -0.076 20 0 GBADLO CN(C)S(=O)(=O)N1CCN(C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000924766751 638329066 /nfs/dbraw/zinc/32/90/66/638329066.db2.gz RSNYMKXKFMKHRZ-UHFFFAOYSA-N 1 2 390.535 -0.162 20 0 GBADLO CNS(=O)(=O)N1CCN(C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000924783703 638329052 /nfs/dbraw/zinc/32/90/52/638329052.db2.gz YJLXXXADRDLJCA-UHFFFAOYSA-N 1 2 376.508 -0.504 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000925579965 638329902 /nfs/dbraw/zinc/32/99/02/638329902.db2.gz PCEQQYPLUKIWKR-AWEZNQCLSA-N 1 2 377.511 -0.769 20 0 GBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000925579966 638329997 /nfs/dbraw/zinc/32/99/97/638329997.db2.gz PCEQQYPLUKIWKR-CQSZACIVSA-N 1 2 377.511 -0.769 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000925586825 1073301298 /nfs/dbraw/zinc/30/12/98/1073301298.db2.gz GBSDZPXHMICTTH-AWEZNQCLSA-N 1 2 381.477 -0.770 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000925600010 1073305351 /nfs/dbraw/zinc/30/53/51/1073305351.db2.gz CBKNZHCXACXOGX-HNNXBMFYSA-N 1 2 391.538 -0.379 20 0 GBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000925600011 1073306736 /nfs/dbraw/zinc/30/67/36/1073306736.db2.gz CBKNZHCXACXOGX-OAHLLOKOSA-N 1 2 391.538 -0.379 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2CCOC ZINC000925606097 1073308776 /nfs/dbraw/zinc/30/87/76/1073308776.db2.gz HDUQQANCOMSSKB-HRCADAONSA-N 1 2 383.493 -0.079 20 0 GBADLO CO[C@@]1(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCS(=O)(=O)C1 ZINC000925789929 638330486 /nfs/dbraw/zinc/33/04/86/638330486.db2.gz YJANJTBUSIGWHQ-GDBMZVCRSA-N 1 2 375.491 -0.446 20 0 GBADLO CO[C@@]1(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCS(=O)(=O)C1 ZINC000925789930 638330459 /nfs/dbraw/zinc/33/04/59/638330459.db2.gz YJANJTBUSIGWHQ-GOEBONIOSA-N 1 2 375.491 -0.446 20 0 GBADLO CO[C@]1(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCS(=O)(=O)C1 ZINC000925789931 638330569 /nfs/dbraw/zinc/33/05/69/638330569.db2.gz YJANJTBUSIGWHQ-HOCLYGCPSA-N 1 2 375.491 -0.446 20 0 GBADLO CO[C@]1(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCS(=O)(=O)C1 ZINC000925789932 638330627 /nfs/dbraw/zinc/33/06/27/638330627.db2.gz YJANJTBUSIGWHQ-ZBFHGGJFSA-N 1 2 375.491 -0.446 20 0 GBADLO CO[C@]1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CCS(=O)(=O)C1 ZINC000925791670 638331243 /nfs/dbraw/zinc/33/12/43/638331243.db2.gz NBDKSHUGCMVKMW-BBRMVZONSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@]1(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CCS(=O)(=O)C1 ZINC000925791670 638331238 /nfs/dbraw/zinc/33/12/38/638331238.db2.gz NBDKSHUGCMVKMW-BBRMVZONSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@]1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CCS(=O)(=O)C1 ZINC000925791671 638331051 /nfs/dbraw/zinc/33/10/51/638331051.db2.gz NBDKSHUGCMVKMW-CJNGLKHVSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@]1(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CCS(=O)(=O)C1 ZINC000925791671 638331043 /nfs/dbraw/zinc/33/10/43/638331043.db2.gz NBDKSHUGCMVKMW-CJNGLKHVSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@@]1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CCS(=O)(=O)C1 ZINC000925791672 638331150 /nfs/dbraw/zinc/33/11/50/638331150.db2.gz NBDKSHUGCMVKMW-CZUORRHYSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@@]1(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CCS(=O)(=O)C1 ZINC000925791672 638331142 /nfs/dbraw/zinc/33/11/42/638331142.db2.gz NBDKSHUGCMVKMW-CZUORRHYSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@@]1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CCS(=O)(=O)C1 ZINC000925791673 638331338 /nfs/dbraw/zinc/33/13/38/638331338.db2.gz NBDKSHUGCMVKMW-XJKSGUPXSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@@]1(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CCS(=O)(=O)C1 ZINC000925791673 638331333 /nfs/dbraw/zinc/33/13/33/638331333.db2.gz NBDKSHUGCMVKMW-XJKSGUPXSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@]1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCS(=O)(=O)C1 ZINC000925792655 638331353 /nfs/dbraw/zinc/33/13/53/638331353.db2.gz PIDGFEUQHUFANO-BBRMVZONSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@]1(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CCS(=O)(=O)C1 ZINC000925792655 638331349 /nfs/dbraw/zinc/33/13/49/638331349.db2.gz PIDGFEUQHUFANO-BBRMVZONSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@]1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CCS(=O)(=O)C1 ZINC000925792658 638331302 /nfs/dbraw/zinc/33/13/02/638331302.db2.gz PIDGFEUQHUFANO-CJNGLKHVSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@]1(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CCS(=O)(=O)C1 ZINC000925792658 638331298 /nfs/dbraw/zinc/33/12/98/638331298.db2.gz PIDGFEUQHUFANO-CJNGLKHVSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@@]1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CCS(=O)(=O)C1 ZINC000925792660 638331320 /nfs/dbraw/zinc/33/13/20/638331320.db2.gz PIDGFEUQHUFANO-CZUORRHYSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@@]1(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CCS(=O)(=O)C1 ZINC000925792660 638331314 /nfs/dbraw/zinc/33/13/14/638331314.db2.gz PIDGFEUQHUFANO-CZUORRHYSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@@]1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCS(=O)(=O)C1 ZINC000925792664 638331228 /nfs/dbraw/zinc/33/12/28/638331228.db2.gz PIDGFEUQHUFANO-XJKSGUPXSA-N 1 2 377.507 -0.323 20 0 GBADLO CO[C@@]1(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CCS(=O)(=O)C1 ZINC000925792664 638331224 /nfs/dbraw/zinc/33/12/24/638331224.db2.gz PIDGFEUQHUFANO-XJKSGUPXSA-N 1 2 377.507 -0.323 20 0 GBADLO CC[C@@H]1CN(C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CC[N@H+]1C[C@@H](C)O ZINC000925794945 637380016 /nfs/dbraw/zinc/38/00/16/637380016.db2.gz GPQMFSGSOBTAQY-FMKPAKJESA-N 1 2 377.507 -0.323 20 0 GBADLO CC[C@@H]1CN(C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CC[N@@H+]1C[C@@H](C)O ZINC000925794945 637380010 /nfs/dbraw/zinc/38/00/10/637380010.db2.gz GPQMFSGSOBTAQY-FMKPAKJESA-N 1 2 377.507 -0.323 20 0 GBADLO CC[C@@H]1CN(C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CC[N@H+]1C[C@@H](C)O ZINC000925794950 638331268 /nfs/dbraw/zinc/33/12/68/638331268.db2.gz GPQMFSGSOBTAQY-IIAWOOMASA-N 1 2 377.507 -0.323 20 0 GBADLO CC[C@@H]1CN(C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CC[N@@H+]1C[C@@H](C)O ZINC000925794950 638331264 /nfs/dbraw/zinc/33/12/64/638331264.db2.gz GPQMFSGSOBTAQY-IIAWOOMASA-N 1 2 377.507 -0.323 20 0 GBADLO CC[C@@H]1CN(C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CC[N@H+]1C[C@H](C)O ZINC000925794953 638331373 /nfs/dbraw/zinc/33/13/73/638331373.db2.gz GPQMFSGSOBTAQY-LZWOXQAQSA-N 1 2 377.507 -0.323 20 0 GBADLO CC[C@@H]1CN(C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CC[N@@H+]1C[C@H](C)O ZINC000925794953 638331368 /nfs/dbraw/zinc/33/13/68/638331368.db2.gz GPQMFSGSOBTAQY-LZWOXQAQSA-N 1 2 377.507 -0.323 20 0 GBADLO CC[C@@H]1CN(C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CC[N@H+]1C[C@H](C)O ZINC000925794957 638331188 /nfs/dbraw/zinc/33/11/88/638331188.db2.gz GPQMFSGSOBTAQY-SQWLQELKSA-N 1 2 377.507 -0.323 20 0 GBADLO CC[C@@H]1CN(C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CC[N@@H+]1C[C@H](C)O ZINC000925794957 638331183 /nfs/dbraw/zinc/33/11/83/638331183.db2.gz GPQMFSGSOBTAQY-SQWLQELKSA-N 1 2 377.507 -0.323 20 0 GBADLO C[NH+](C)Cc1csc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)n1 ZINC000927766202 638334212 /nfs/dbraw/zinc/33/42/12/638334212.db2.gz MADLRAQYRPKNRX-UHFFFAOYSA-N 1 2 375.520 -0.602 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000928637248 638335469 /nfs/dbraw/zinc/33/54/69/638335469.db2.gz VUFGYGAYFBWLPP-JTQLQIEISA-N 1 2 389.250 -0.062 20 0 GBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000928637249 638335630 /nfs/dbraw/zinc/33/56/30/638335630.db2.gz VUFGYGAYFBWLPP-SNVBAGLBSA-N 1 2 389.250 -0.062 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCO[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000929254364 638335363 /nfs/dbraw/zinc/33/53/63/638335363.db2.gz JHNYQLZMYVWTEP-BZUAXINKSA-N 1 2 377.507 -0.237 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCO[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000929254366 638335593 /nfs/dbraw/zinc/33/55/93/638335593.db2.gz JHNYQLZMYVWTEP-OAGGEKHMSA-N 1 2 377.507 -0.237 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCO[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000929254369 638335373 /nfs/dbraw/zinc/33/53/73/638335373.db2.gz JHNYQLZMYVWTEP-OWCLPIDISA-N 1 2 377.507 -0.237 20 0 GBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCO[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000929254370 638335401 /nfs/dbraw/zinc/33/54/01/638335401.db2.gz JHNYQLZMYVWTEP-XHSDSOJGSA-N 1 2 377.507 -0.237 20 0 GBADLO CC[C@@](O)(CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000929259769 638335513 /nfs/dbraw/zinc/33/55/13/638335513.db2.gz MSGAXXQZSCOQSU-CYBMUJFWSA-N 1 2 388.456 -0.200 20 0 GBADLO CC[C@](O)(CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000929259770 638335438 /nfs/dbraw/zinc/33/54/38/638335438.db2.gz MSGAXXQZSCOQSU-ZDUSSCGKSA-N 1 2 388.456 -0.200 20 0 GBADLO COc1nnc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000929260189 638336177 /nfs/dbraw/zinc/33/61/77/638336177.db2.gz VFBMHTMSANNIID-UHFFFAOYSA-N 1 2 376.508 -0.844 20 0 GBADLO CC[C@@H](C)[C@@H](C(=O)OC)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000929260215 638335898 /nfs/dbraw/zinc/33/58/98/638335898.db2.gz VKSGDJQJCCIJGZ-CABCVRRESA-N 1 2 376.523 -0.316 20 0 GBADLO CC[C@H](C)[C@@H](C(=O)OC)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000929260217 637598246 /nfs/dbraw/zinc/59/82/46/637598246.db2.gz VKSGDJQJCCIJGZ-GJZGRUSLSA-N 1 2 376.523 -0.316 20 0 GBADLO CC[C@@H](C)[C@H](C(=O)OC)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000929260223 637598413 /nfs/dbraw/zinc/59/84/13/637598413.db2.gz VKSGDJQJCCIJGZ-HUUCEWRRSA-N 1 2 376.523 -0.316 20 0 GBADLO CC[C@H](C)[C@H](C(=O)OC)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000929260226 637598945 /nfs/dbraw/zinc/59/89/45/637598945.db2.gz VKSGDJQJCCIJGZ-LSDHHAIUSA-N 1 2 376.523 -0.316 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000929770838 637503978 /nfs/dbraw/zinc/50/39/78/637503978.db2.gz ABFUMRYZWNKKDV-HNNXBMFYSA-N 1 2 380.507 -0.739 20 0 GBADLO CC(C)OCCS(=O)(=O)N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000929770848 637504041 /nfs/dbraw/zinc/50/40/41/637504041.db2.gz ABFUMRYZWNKKDV-OAHLLOKOSA-N 1 2 380.507 -0.739 20 0 GBADLO CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000929808437 638336847 /nfs/dbraw/zinc/33/68/47/638336847.db2.gz UQVARZCHGNUSGX-CABCVRRESA-N 1 2 375.491 -0.640 20 0 GBADLO CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930089435 638337615 /nfs/dbraw/zinc/33/76/15/638337615.db2.gz ABGMMUMSNKTOCI-KGLIPLIRSA-N 1 2 377.507 -0.300 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000930212796 638337863 /nfs/dbraw/zinc/33/78/63/638337863.db2.gz QHINZVVDGPLHMQ-KFWWJZLASA-N 1 2 375.491 -0.594 20 0 GBADLO CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000930212798 638337724 /nfs/dbraw/zinc/33/77/24/638337724.db2.gz QHINZVVDGPLHMQ-ZNMIVQPWSA-N 1 2 375.491 -0.594 20 0 GBADLO CCN(CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)S(C)(=O)=O ZINC000930328825 638337793 /nfs/dbraw/zinc/33/77/93/638337793.db2.gz YBFKMMRLPBFZDI-CABCVRRESA-N 1 2 377.507 -0.346 20 0 GBADLO C[C@]1(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCS(=O)(=O)N1 ZINC000930504369 638338382 /nfs/dbraw/zinc/33/83/82/638338382.db2.gz DYNPBAGMNZMCFM-CABCVRRESA-N 1 2 377.532 -0.218 20 0 GBADLO C[C@@]1(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCS(=O)(=O)N1 ZINC000930504381 638338215 /nfs/dbraw/zinc/33/82/15/638338215.db2.gz DYNPBAGMNZMCFM-GJZGRUSLSA-N 1 2 377.532 -0.218 20 0 GBADLO C[C@]1(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCS(=O)(=O)N1 ZINC000930504382 638338159 /nfs/dbraw/zinc/33/81/59/638338159.db2.gz DYNPBAGMNZMCFM-HUUCEWRRSA-N 1 2 377.532 -0.218 20 0 GBADLO C[C@@]1(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCS(=O)(=O)N1 ZINC000930504383 638338292 /nfs/dbraw/zinc/33/82/92/638338292.db2.gz DYNPBAGMNZMCFM-LSDHHAIUSA-N 1 2 377.532 -0.218 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000930664564 638339160 /nfs/dbraw/zinc/33/91/60/638339160.db2.gz VQNSRENKHQYYIF-KFWWJZLASA-N 1 2 375.491 -0.594 20 0 GBADLO CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000930664565 638338946 /nfs/dbraw/zinc/33/89/46/638338946.db2.gz VQNSRENKHQYYIF-ZNMIVQPWSA-N 1 2 375.491 -0.594 20 0 GBADLO CNS(=O)(=O)CC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000931126521 638340081 /nfs/dbraw/zinc/34/00/81/638340081.db2.gz IXPDANLWQYMSQZ-UHFFFAOYSA-N 1 2 390.531 -0.868 20 0 GBADLO CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000931230915 638340840 /nfs/dbraw/zinc/34/08/40/638340840.db2.gz CKVLHBWKJTYEAD-CABCVRRESA-N 1 2 375.491 -0.640 20 0 GBADLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](CC2CN(S(C)(=O)=O)C2)CCO1 ZINC000931498944 638341136 /nfs/dbraw/zinc/34/11/36/638341136.db2.gz CFSBKMPPYMXRMP-INIZCTEOSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](CC2CN(S(C)(=O)=O)C2)CCO1 ZINC000931498944 638341127 /nfs/dbraw/zinc/34/11/27/638341127.db2.gz CFSBKMPPYMXRMP-INIZCTEOSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](CC2CN(S(C)(=O)=O)C2)CCO1 ZINC000931498945 638341437 /nfs/dbraw/zinc/34/14/37/638341437.db2.gz CFSBKMPPYMXRMP-MRXNPFEDSA-N 1 2 378.491 -0.063 20 0 GBADLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](CC2CN(S(C)(=O)=O)C2)CCO1 ZINC000931498945 638341429 /nfs/dbraw/zinc/34/14/29/638341429.db2.gz CFSBKMPPYMXRMP-MRXNPFEDSA-N 1 2 378.491 -0.063 20 0 GBADLO O=C(NCCCN1CCCS1(=O)=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931503744 638341231 /nfs/dbraw/zinc/34/12/31/638341231.db2.gz JRDJXIJDBRZZND-CABCVRRESA-N 1 2 375.491 -0.592 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000932441508 638343392 /nfs/dbraw/zinc/34/33/92/638343392.db2.gz YRKBMSRXPOQHOE-CYBMUJFWSA-N 1 2 376.523 -0.237 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000932441508 638343380 /nfs/dbraw/zinc/34/33/80/638343380.db2.gz YRKBMSRXPOQHOE-CYBMUJFWSA-N 1 2 376.523 -0.237 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000932441509 638343541 /nfs/dbraw/zinc/34/35/41/638343541.db2.gz YRKBMSRXPOQHOE-ZDUSSCGKSA-N 1 2 376.523 -0.237 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000932441509 638343538 /nfs/dbraw/zinc/34/35/38/638343538.db2.gz YRKBMSRXPOQHOE-ZDUSSCGKSA-N 1 2 376.523 -0.237 20 0 GBADLO O=C(NCC[NH+]1CCSCC1)[C@@H]1C[C@@H]1C(=O)NCCN1CCSCC1 ZINC000932616091 638344172 /nfs/dbraw/zinc/34/41/72/638344172.db2.gz LZHMLVOZTHYVGO-GASCZTMLSA-N 1 2 386.587 -0.048 20 0 GBADLO O=C(NCCN1CCSCC1)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000932616091 638344167 /nfs/dbraw/zinc/34/41/67/638344167.db2.gz LZHMLVOZTHYVGO-GASCZTMLSA-N 1 2 386.587 -0.048 20 0 GBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000932763977 638344065 /nfs/dbraw/zinc/34/40/65/638344065.db2.gz KCVDTGUWOJSJGC-ILXRZTDVSA-N 1 2 375.491 -0.594 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000932763979 638343843 /nfs/dbraw/zinc/34/38/43/638343843.db2.gz KCVDTGUWOJSJGC-KFWWJZLASA-N 1 2 375.491 -0.594 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCc2cc(C3CC3)n(C)n2)CC1 ZINC000932970995 1072501123 /nfs/dbraw/zinc/50/11/23/1072501123.db2.gz ZLVMMEPGDKPQMV-UHFFFAOYSA-N 1 2 393.488 -0.281 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncc(Br)cn1 ZINC000933048727 638344605 /nfs/dbraw/zinc/34/46/05/638344605.db2.gz WDTIIWNMJRVVAN-GFCCVEGCSA-N 1 2 398.261 -0.098 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncc(Br)cn1 ZINC000933048730 638344527 /nfs/dbraw/zinc/34/45/27/638344527.db2.gz WDTIIWNMJRVVAN-LBPRGKRZSA-N 1 2 398.261 -0.098 20 0 GBADLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000933093553 638344577 /nfs/dbraw/zinc/34/45/77/638344577.db2.gz ULJNBDILQRBGCY-CYBMUJFWSA-N 1 2 375.491 -0.056 20 0 GBADLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000933093556 638344661 /nfs/dbraw/zinc/34/46/61/638344661.db2.gz ULJNBDILQRBGCY-ZDUSSCGKSA-N 1 2 375.491 -0.056 20 0 GBADLO CC(C)(C)OC(=O)N1CCO[C@H](C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000933094897 638344469 /nfs/dbraw/zinc/34/44/69/638344469.db2.gz AGAHMVXFZGDFSP-CHWSQXEVSA-N 1 2 376.479 -0.544 20 0 GBADLO CC(C)(C)OC(=O)N1CCO[C@H](C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000933094897 638344456 /nfs/dbraw/zinc/34/44/56/638344456.db2.gz AGAHMVXFZGDFSP-CHWSQXEVSA-N 1 2 376.479 -0.544 20 0 GBADLO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000933094901 638344820 /nfs/dbraw/zinc/34/48/20/638344820.db2.gz AGAHMVXFZGDFSP-OLZOCXBDSA-N 1 2 376.479 -0.544 20 0 GBADLO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000933094901 638344812 /nfs/dbraw/zinc/34/48/12/638344812.db2.gz AGAHMVXFZGDFSP-OLZOCXBDSA-N 1 2 376.479 -0.544 20 0 GBADLO CC(C)(C)OC(=O)N1CCO[C@H](C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000933094903 638344484 /nfs/dbraw/zinc/34/44/84/638344484.db2.gz AGAHMVXFZGDFSP-QWHCGFSZSA-N 1 2 376.479 -0.544 20 0 GBADLO CC(C)(C)OC(=O)N1CCO[C@H](C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000933094903 638344479 /nfs/dbraw/zinc/34/44/79/638344479.db2.gz AGAHMVXFZGDFSP-QWHCGFSZSA-N 1 2 376.479 -0.544 20 0 GBADLO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000933094906 638344741 /nfs/dbraw/zinc/34/47/41/638344741.db2.gz AGAHMVXFZGDFSP-STQMWFEESA-N 1 2 376.479 -0.544 20 0 GBADLO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000933094906 638344738 /nfs/dbraw/zinc/34/47/38/638344738.db2.gz AGAHMVXFZGDFSP-STQMWFEESA-N 1 2 376.479 -0.544 20 0 GBADLO COC(=O)CCNC(=O)C[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000933094934 638344774 /nfs/dbraw/zinc/34/47/74/638344774.db2.gz ZVBKGVCZQZWADT-UHFFFAOYSA-N 1 2 375.491 -0.054 20 0 GBADLO O=C(CN1CCN2[C@@H](CNS2(=O)=O)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000933096719 1072543576 /nfs/dbraw/zinc/54/35/76/1072543576.db2.gz LPTXVDCYACCRNQ-HNNXBMFYSA-N 1 2 399.542 -0.774 20 0 GBADLO O=C(CN1CCN2[C@H](CNS2(=O)=O)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000933096720 1072543213 /nfs/dbraw/zinc/54/32/13/1072543213.db2.gz LPTXVDCYACCRNQ-OAHLLOKOSA-N 1 2 399.542 -0.774 20 0 GBADLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000933222495 637357472 /nfs/dbraw/zinc/35/74/72/637357472.db2.gz WCCZSTVNDYAADN-CQSZACIVSA-N 1 2 376.523 -0.237 20 0 GBADLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000933222495 637357465 /nfs/dbraw/zinc/35/74/65/637357465.db2.gz WCCZSTVNDYAADN-CQSZACIVSA-N 1 2 376.523 -0.237 20 0 GBADLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000933227461 638345394 /nfs/dbraw/zinc/34/53/94/638345394.db2.gz WCCZSTVNDYAADN-AWEZNQCLSA-N 1 2 376.523 -0.237 20 0 GBADLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000933227461 638345389 /nfs/dbraw/zinc/34/53/89/638345389.db2.gz WCCZSTVNDYAADN-AWEZNQCLSA-N 1 2 376.523 -0.237 20 0 GBADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000933296101 1072598183 /nfs/dbraw/zinc/59/81/83/1072598183.db2.gz BGTSXJKDOAYUAC-YOEHRIQHSA-N 1 2 377.445 -0.234 20 0 GBADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000933296101 1072598177 /nfs/dbraw/zinc/59/81/77/1072598177.db2.gz BGTSXJKDOAYUAC-YOEHRIQHSA-N 1 2 377.445 -0.234 20 0 GBADLO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC000933386193 1072160526 /nfs/dbraw/zinc/16/05/26/1072160526.db2.gz IJDWUJCVBIXNIB-KKUMJFAQSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000933386193 1072160522 /nfs/dbraw/zinc/16/05/22/1072160522.db2.gz IJDWUJCVBIXNIB-KKUMJFAQSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)[C@H]1CN(C)CC[N@H+]1C ZINC000933386198 1072160296 /nfs/dbraw/zinc/16/02/96/1072160296.db2.gz IJDWUJCVBIXNIB-RRFJBIMHSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC000933386198 1072160293 /nfs/dbraw/zinc/16/02/93/1072160293.db2.gz IJDWUJCVBIXNIB-RRFJBIMHSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)[C@@H]1CN(C)CC[N@H+]1C ZINC000933386199 1072160133 /nfs/dbraw/zinc/16/01/33/1072160133.db2.gz IJDWUJCVBIXNIB-SOUVJXGZSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000933386199 1072160129 /nfs/dbraw/zinc/16/01/29/1072160129.db2.gz IJDWUJCVBIXNIB-SOUVJXGZSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)[C@H]1CN(C)CC[N@H+]1C ZINC000933386201 1072160575 /nfs/dbraw/zinc/16/05/75/1072160575.db2.gz IJDWUJCVBIXNIB-ZNMIVQPWSA-N 1 2 397.520 -0.185 20 0 GBADLO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC000933386201 1072160574 /nfs/dbraw/zinc/16/05/74/1072160574.db2.gz IJDWUJCVBIXNIB-ZNMIVQPWSA-N 1 2 397.520 -0.185 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2CC3(C2)CO[C@H](C)C3)CC1 ZINC000933536368 1072182095 /nfs/dbraw/zinc/18/20/95/1072182095.db2.gz XPBKVHVUPMFVEW-TZGCNFNXSA-N 1 2 383.489 -0.134 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NC2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000933536370 1072182386 /nfs/dbraw/zinc/18/23/86/1072182386.db2.gz XPBKVHVUPMFVEW-XVTSOASTSA-N 1 2 383.489 -0.134 20 0 GBADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CC2)cc1 ZINC000933556199 1072187286 /nfs/dbraw/zinc/18/72/86/1072187286.db2.gz UJMQBYRBOGHYKS-INIZCTEOSA-N 1 2 394.497 -0.249 20 0 GBADLO CN1CCn2nc(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2S1(=O)=O ZINC000933662275 1072211093 /nfs/dbraw/zinc/21/10/93/1072211093.db2.gz YDUOODZGNMAEQP-CYBMUJFWSA-N 1 2 383.474 -0.546 20 0 GBADLO CN1CCn2nc(C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cc2S1(=O)=O ZINC000933662278 1072211115 /nfs/dbraw/zinc/21/11/15/1072211115.db2.gz YDUOODZGNMAEQP-ZDUSSCGKSA-N 1 2 383.474 -0.546 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1)S(C)(=O)=O ZINC000933672113 638346295 /nfs/dbraw/zinc/34/62/95/638346295.db2.gz ROVCXKOHJSKHCK-CABCVRRESA-N 1 2 377.507 -0.489 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1)S(C)(=O)=O ZINC000933672113 638346289 /nfs/dbraw/zinc/34/62/89/638346289.db2.gz ROVCXKOHJSKHCK-CABCVRRESA-N 1 2 377.507 -0.489 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1)S(C)(=O)=O ZINC000933672114 638346262 /nfs/dbraw/zinc/34/62/62/638346262.db2.gz ROVCXKOHJSKHCK-GJZGRUSLSA-N 1 2 377.507 -0.489 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1)S(C)(=O)=O ZINC000933672114 638346256 /nfs/dbraw/zinc/34/62/56/638346256.db2.gz ROVCXKOHJSKHCK-GJZGRUSLSA-N 1 2 377.507 -0.489 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCOC[C@H]1C[C@H]1CCOC1)S(C)(=O)=O ZINC000933672115 638346162 /nfs/dbraw/zinc/34/61/62/638346162.db2.gz ROVCXKOHJSKHCK-HUUCEWRRSA-N 1 2 377.507 -0.489 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1)S(C)(=O)=O ZINC000933672115 638346156 /nfs/dbraw/zinc/34/61/56/638346156.db2.gz ROVCXKOHJSKHCK-HUUCEWRRSA-N 1 2 377.507 -0.489 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1)S(C)(=O)=O ZINC000933672116 638346053 /nfs/dbraw/zinc/34/60/53/638346053.db2.gz ROVCXKOHJSKHCK-LSDHHAIUSA-N 1 2 377.507 -0.489 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1)S(C)(=O)=O ZINC000933672116 638346037 /nfs/dbraw/zinc/34/60/37/638346037.db2.gz ROVCXKOHJSKHCK-LSDHHAIUSA-N 1 2 377.507 -0.489 20 0 GBADLO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC(=O)NC[C@@H]1C(C)(C)C)c(=O)n2C ZINC000933823500 1072230547 /nfs/dbraw/zinc/23/05/47/1072230547.db2.gz MOTLYDMVSNCPHX-GFCCVEGCSA-N 1 2 376.461 -0.330 20 0 GBADLO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC(=O)NC[C@@H]1C(C)(C)C)c(=O)n2C ZINC000933823500 1072230545 /nfs/dbraw/zinc/23/05/45/1072230545.db2.gz MOTLYDMVSNCPHX-GFCCVEGCSA-N 1 2 376.461 -0.330 20 0 GBADLO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC(=O)NC[C@H]1C(C)(C)C)c(=O)n2C ZINC000933823505 1072230342 /nfs/dbraw/zinc/23/03/42/1072230342.db2.gz MOTLYDMVSNCPHX-LBPRGKRZSA-N 1 2 376.461 -0.330 20 0 GBADLO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC(=O)NC[C@H]1C(C)(C)C)c(=O)n2C ZINC000933823505 1072230333 /nfs/dbraw/zinc/23/03/33/1072230333.db2.gz MOTLYDMVSNCPHX-LBPRGKRZSA-N 1 2 376.461 -0.330 20 0 GBADLO COC(=O)C1([C@]2(O)CCC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)CCC1 ZINC000933843607 1072234268 /nfs/dbraw/zinc/23/42/68/1072234268.db2.gz ZDMPEJHZEBRWRO-IBGZPJMESA-N 1 2 381.473 -0.105 20 0 GBADLO COC(=O)C1([C@]2(O)CCC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)CCC1 ZINC000933843607 1072234257 /nfs/dbraw/zinc/23/42/57/1072234257.db2.gz ZDMPEJHZEBRWRO-IBGZPJMESA-N 1 2 381.473 -0.105 20 0 GBADLO COC(=O)C1([C@@]2(O)CCC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)CCC1 ZINC000933843608 1072233703 /nfs/dbraw/zinc/23/37/03/1072233703.db2.gz ZDMPEJHZEBRWRO-LJQANCHMSA-N 1 2 381.473 -0.105 20 0 GBADLO COC(=O)C1([C@@]2(O)CCC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)CCC1 ZINC000933843608 1072233694 /nfs/dbraw/zinc/23/36/94/1072233694.db2.gz ZDMPEJHZEBRWRO-LJQANCHMSA-N 1 2 381.473 -0.105 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCC[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000933852330 1072235032 /nfs/dbraw/zinc/23/50/32/1072235032.db2.gz NOKHAGMVBLWJCG-MJBXVCDLSA-N 1 2 387.502 -0.895 20 0 GBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000933852330 1072235025 /nfs/dbraw/zinc/23/50/25/1072235025.db2.gz NOKHAGMVBLWJCG-MJBXVCDLSA-N 1 2 387.502 -0.895 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)CC1 ZINC000933899782 1072241918 /nfs/dbraw/zinc/24/19/18/1072241918.db2.gz PYALRWNOMQIMKD-IBGZPJMESA-N 1 2 393.488 -0.277 20 0 GBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)CC1 ZINC000933899783 1072241944 /nfs/dbraw/zinc/24/19/44/1072241944.db2.gz PYALRWNOMQIMKD-LJQANCHMSA-N 1 2 393.488 -0.277 20 0 GBADLO O=C(C[N@@H+]1CC[C@H]1CO)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000934021135 1072261771 /nfs/dbraw/zinc/26/17/71/1072261771.db2.gz DEUQWGAKXBAGIQ-HNNXBMFYSA-N 1 2 383.470 -0.610 20 0 GBADLO O=C(C[N@H+]1CC[C@H]1CO)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000934021135 1072261766 /nfs/dbraw/zinc/26/17/66/1072261766.db2.gz DEUQWGAKXBAGIQ-HNNXBMFYSA-N 1 2 383.470 -0.610 20 0 GBADLO O=C(C[N@@H+]1CC[C@@H]1CO)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000934021137 1072261915 /nfs/dbraw/zinc/26/19/15/1072261915.db2.gz DEUQWGAKXBAGIQ-OAHLLOKOSA-N 1 2 383.470 -0.610 20 0 GBADLO O=C(C[N@H+]1CC[C@@H]1CO)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000934021137 1072261906 /nfs/dbraw/zinc/26/19/06/1072261906.db2.gz DEUQWGAKXBAGIQ-OAHLLOKOSA-N 1 2 383.470 -0.610 20 0 GBADLO O=C(C[N@@H+]1CC[C@H]1CO)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000934021164 1072261791 /nfs/dbraw/zinc/26/17/91/1072261791.db2.gz KYJAHSAUYYFHEX-HNNXBMFYSA-N 1 2 383.470 -0.610 20 0 GBADLO O=C(C[N@H+]1CC[C@H]1CO)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000934021164 1072261784 /nfs/dbraw/zinc/26/17/84/1072261784.db2.gz KYJAHSAUYYFHEX-HNNXBMFYSA-N 1 2 383.470 -0.610 20 0 GBADLO O=C(C[N@@H+]1CC[C@@H]1CO)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000934021166 1072262037 /nfs/dbraw/zinc/26/20/37/1072262037.db2.gz KYJAHSAUYYFHEX-OAHLLOKOSA-N 1 2 383.470 -0.610 20 0 GBADLO O=C(C[N@H+]1CC[C@@H]1CO)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000934021166 1072262032 /nfs/dbraw/zinc/26/20/32/1072262032.db2.gz KYJAHSAUYYFHEX-OAHLLOKOSA-N 1 2 383.470 -0.610 20 0 GBADLO COC1(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCCCCC1 ZINC000934154151 1072289732 /nfs/dbraw/zinc/28/97/32/1072289732.db2.gz AYORDYUFJYOCRD-INIZCTEOSA-N 1 2 385.505 -0.007 20 0 GBADLO COC1(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCCCCC1 ZINC000934154152 1072290128 /nfs/dbraw/zinc/29/01/28/1072290128.db2.gz AYORDYUFJYOCRD-MRXNPFEDSA-N 1 2 385.505 -0.007 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934228063 638347460 /nfs/dbraw/zinc/34/74/60/638347460.db2.gz WYJUSDFPGAALBB-KFWWJZLASA-N 1 2 375.491 -0.594 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934228064 638347447 /nfs/dbraw/zinc/34/74/47/638347447.db2.gz WYJUSDFPGAALBB-ZNMIVQPWSA-N 1 2 375.491 -0.594 20 0 GBADLO Cn1cc(N2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2=O)cn1 ZINC000934240317 1072304401 /nfs/dbraw/zinc/30/44/01/1072304401.db2.gz VJXBDKUXVOBPCT-CVEARBPZSA-N 1 2 377.445 -0.525 20 0 GBADLO CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCN2C1=O ZINC000934288742 1072312758 /nfs/dbraw/zinc/31/27/58/1072312758.db2.gz CPFBYXSUCZPSBE-ILXRZTDVSA-N 1 2 380.445 -0.639 20 0 GBADLO CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCN2C1=O ZINC000934288744 1072312402 /nfs/dbraw/zinc/31/24/02/1072312402.db2.gz CPFBYXSUCZPSBE-KFWWJZLASA-N 1 2 380.445 -0.639 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC000934320808 1072319463 /nfs/dbraw/zinc/31/94/63/1072319463.db2.gz OCTBFAKVDQPBJF-GDBMZVCRSA-N 1 2 379.461 -0.685 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC000934320810 1072318998 /nfs/dbraw/zinc/31/89/98/1072318998.db2.gz OCTBFAKVDQPBJF-GOEBONIOSA-N 1 2 379.461 -0.685 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC000934320812 1072319663 /nfs/dbraw/zinc/31/96/63/1072319663.db2.gz OCTBFAKVDQPBJF-HOCLYGCPSA-N 1 2 379.461 -0.685 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 ZINC000934320813 1072319180 /nfs/dbraw/zinc/31/91/80/1072319180.db2.gz OCTBFAKVDQPBJF-ZBFHGGJFSA-N 1 2 379.461 -0.685 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(=O)n(C)cc1Br ZINC000934320874 637361638 /nfs/dbraw/zinc/36/16/38/637361638.db2.gz OXJGFLCOMYIBRC-LLVKDONJSA-N 1 2 388.262 -0.087 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(=O)n(C)cc1Br ZINC000934320875 637361339 /nfs/dbraw/zinc/36/13/39/637361339.db2.gz OXJGFLCOMYIBRC-NSHDSACASA-N 1 2 388.262 -0.087 20 0 GBADLO COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)CC2 ZINC000934574429 1072381619 /nfs/dbraw/zinc/38/16/19/1072381619.db2.gz RXEGMIKDODMEOZ-KFWWJZLASA-N 1 2 379.461 -0.265 20 0 GBADLO COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)CC2 ZINC000934574433 1072381999 /nfs/dbraw/zinc/38/19/99/1072381999.db2.gz RXEGMIKDODMEOZ-ZNMIVQPWSA-N 1 2 379.461 -0.265 20 0 GBADLO CN1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC000934591410 1072386377 /nfs/dbraw/zinc/38/63/77/1072386377.db2.gz DFBMVAYLXYWPRL-CABCVRRESA-N 1 2 396.488 -0.003 20 0 GBADLO CN1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC000934591421 1072386553 /nfs/dbraw/zinc/38/65/53/1072386553.db2.gz DFBMVAYLXYWPRL-GJZGRUSLSA-N 1 2 396.488 -0.003 20 0 GBADLO CN1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC000934591424 1072386395 /nfs/dbraw/zinc/38/63/95/1072386395.db2.gz DFBMVAYLXYWPRL-HUUCEWRRSA-N 1 2 396.488 -0.003 20 0 GBADLO CN1C[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC000934591428 1072386761 /nfs/dbraw/zinc/38/67/61/1072386761.db2.gz DFBMVAYLXYWPRL-LSDHHAIUSA-N 1 2 396.488 -0.003 20 0 GBADLO C[C@]1(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CCS(=O)(=O)N1 ZINC000934722575 638347689 /nfs/dbraw/zinc/34/76/89/638347689.db2.gz URDUHTPZVSOTGW-GDBMZVCRSA-N 1 2 375.491 -0.592 20 0 GBADLO C[C@]1(CC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CCS(=O)(=O)N1 ZINC000934722576 638347826 /nfs/dbraw/zinc/34/78/26/638347826.db2.gz URDUHTPZVSOTGW-GOEBONIOSA-N 1 2 375.491 -0.592 20 0 GBADLO C[C@@]1(CC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CCS(=O)(=O)N1 ZINC000934722577 638347638 /nfs/dbraw/zinc/34/76/38/638347638.db2.gz URDUHTPZVSOTGW-HOCLYGCPSA-N 1 2 375.491 -0.592 20 0 GBADLO C[C@@]1(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CCS(=O)(=O)N1 ZINC000934722578 638347703 /nfs/dbraw/zinc/34/77/03/638347703.db2.gz URDUHTPZVSOTGW-ZBFHGGJFSA-N 1 2 375.491 -0.592 20 0 GBADLO C[C@H](NC(=O)C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1)C(=O)N(C)C ZINC000934750046 638347840 /nfs/dbraw/zinc/34/78/40/638347840.db2.gz LCFWSAYDYYWQSM-CANCMXDXSA-N 1 2 375.539 -0.134 20 0 GBADLO C[C@@H](NC(=O)C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1)C(=O)N(C)C ZINC000934750048 638347718 /nfs/dbraw/zinc/34/77/18/638347718.db2.gz LCFWSAYDYYWQSM-SHZVTRLKSA-N 1 2 375.539 -0.134 20 0 GBADLO C[C@@H](NC(=O)C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1)C(=O)N(C)C ZINC000934750050 638347347 /nfs/dbraw/zinc/34/73/47/638347347.db2.gz LCFWSAYDYYWQSM-YMXBGEKHSA-N 1 2 375.539 -0.134 20 0 GBADLO C[C@H](NC(=O)C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1)C(=O)N(C)C ZINC000934750051 638347761 /nfs/dbraw/zinc/34/77/61/638347761.db2.gz LCFWSAYDYYWQSM-ZJWNCGCPSA-N 1 2 375.539 -0.134 20 0 GBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935058000 638348212 /nfs/dbraw/zinc/34/82/12/638348212.db2.gz FHTOVHLAXOZBOR-KFWWJZLASA-N 1 2 375.491 -0.594 20 0 GBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000935214102 638348199 /nfs/dbraw/zinc/34/81/99/638348199.db2.gz PCBMYSAIEDMEBW-ILXRZTDVSA-N 1 2 375.491 -0.594 20 0 GBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000935214103 638348306 /nfs/dbraw/zinc/34/83/06/638348306.db2.gz PCBMYSAIEDMEBW-KFWWJZLASA-N 1 2 375.491 -0.594 20 0 GBADLO C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCN1S(C)(=O)=O ZINC000935260349 637369273 /nfs/dbraw/zinc/36/92/73/637369273.db2.gz VNQWVIANIWHSSC-ZNMIVQPWSA-N 1 2 375.491 -0.642 20 0 GBADLO Cn1[nH]c(C2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)nc1=N ZINC000935763568 1072964919 /nfs/dbraw/zinc/96/49/19/1072964919.db2.gz OUUYPPZAYBPJKM-CABCVRRESA-N 1 2 378.477 -0.187 20 0 GBADLO CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935956493 1073080961 /nfs/dbraw/zinc/08/09/61/1073080961.db2.gz RLWNVPKSLLCKJP-OAGGEKHMSA-N 1 2 389.518 -0.204 20 0 GBADLO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935956495 1073080696 /nfs/dbraw/zinc/08/06/96/1073080696.db2.gz RLWNVPKSLLCKJP-XHSDSOJGSA-N 1 2 389.518 -0.204 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)O1 ZINC000947243088 1072303221 /nfs/dbraw/zinc/30/32/21/1072303221.db2.gz AAPQOQQGGRUWDL-RJZRQDKASA-N 1 2 375.429 -0.347 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)O1 ZINC000947243088 1072303215 /nfs/dbraw/zinc/30/32/15/1072303215.db2.gz AAPQOQQGGRUWDL-RJZRQDKASA-N 1 2 375.429 -0.347 20 0 GBADLO COc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)co1 ZINC000969140653 1072134073 /nfs/dbraw/zinc/13/40/73/1072134073.db2.gz AKSWZYMVGJJGPJ-BIAAXOCRSA-N 1 2 375.385 -0.478 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](O)C1 ZINC000969155007 1072136141 /nfs/dbraw/zinc/13/61/41/1072136141.db2.gz NHPMAGQAENITGT-QXSJWSMHSA-N 1 2 383.408 -0.705 20 0 GBADLO Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000969191039 1072141540 /nfs/dbraw/zinc/14/15/40/1072141540.db2.gz ONPWACUTWCTVLT-SRABZTEZSA-N 1 2 386.456 -0.206 20 0 GBADLO Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000969191039 1072141539 /nfs/dbraw/zinc/14/15/39/1072141539.db2.gz ONPWACUTWCTVLT-SRABZTEZSA-N 1 2 386.456 -0.206 20 0 GBADLO Cc1nn(C)c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1O ZINC000969204239 1072145448 /nfs/dbraw/zinc/14/54/48/1072145448.db2.gz MPRTZBSZCFCRQG-KQTLUZQSSA-N 1 2 386.456 -0.124 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 ZINC000969242581 1072153450 /nfs/dbraw/zinc/15/34/50/1072153450.db2.gz FPBTUYBGWJEZPR-UZWSLXQKSA-N 1 2 387.396 -0.783 20 0 GBADLO Cn1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)cc1Cl ZINC000969249880 1072153490 /nfs/dbraw/zinc/15/34/90/1072153490.db2.gz UYIZYHHFAKCGHK-RQSQLSILSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)cc1Cl ZINC000969249880 1072153489 /nfs/dbraw/zinc/15/34/89/1072153489.db2.gz UYIZYHHFAKCGHK-RQSQLSILSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@@H](O)C1 ZINC000969249910 1072153390 /nfs/dbraw/zinc/15/33/90/1072153390.db2.gz VRUCFJCWHOAYNS-FTUHBYGFSA-N 1 2 392.847 -0.088 20 0 GBADLO COc1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)nc1 ZINC000969251507 1072154334 /nfs/dbraw/zinc/15/43/34/1072154334.db2.gz PLRKUPQEHMVCDU-BHPKHCPMSA-N 1 2 386.412 -0.676 20 0 GBADLO COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)nn1C ZINC000969257639 1072155421 /nfs/dbraw/zinc/15/54/21/1072155421.db2.gz JSQGSMSHUBLRPK-CVMIBZJCSA-N 1 2 388.428 -0.733 20 0 GBADLO COCCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)n1 ZINC000969258291 1072155288 /nfs/dbraw/zinc/15/52/88/1072155288.db2.gz VHINSKNLZXGWRR-BHTHQVBYSA-N 1 2 388.428 -0.642 20 0 GBADLO COCCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)n1 ZINC000969258291 1072155283 /nfs/dbraw/zinc/15/52/83/1072155283.db2.gz VHINSKNLZXGWRR-BHTHQVBYSA-N 1 2 388.428 -0.642 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)ccc2=O)[C@@H](O)C1 ZINC000969264490 1072156065 /nfs/dbraw/zinc/15/60/65/1072156065.db2.gz PAXLTJOVYMXRAD-LGIULTMTSA-N 1 2 385.424 -0.776 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O)c1ccnc2n[nH]nc21 ZINC000969271294 1072157053 /nfs/dbraw/zinc/15/70/53/1072157053.db2.gz UWXNFQZZIWHTCN-WFFHOREQSA-N 1 2 382.384 -0.819 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O)c1ccnc2n[nH]nc21 ZINC000969271294 1072157051 /nfs/dbraw/zinc/15/70/51/1072157051.db2.gz UWXNFQZZIWHTCN-WFFHOREQSA-N 1 2 382.384 -0.819 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O)c1cc2n(n1)CCCO2 ZINC000969278287 1072157756 /nfs/dbraw/zinc/15/77/56/1072157756.db2.gz HPARFTONONFYSP-FKGLVLAHSA-N 1 2 386.412 -0.506 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O)c1cc2n(n1)CCCO2 ZINC000969278287 1072157749 /nfs/dbraw/zinc/15/77/49/1072157749.db2.gz HPARFTONONFYSP-FKGLVLAHSA-N 1 2 386.412 -0.506 20 0 GBADLO COc1nccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)n1 ZINC000969278575 1072157952 /nfs/dbraw/zinc/15/79/52/1072157952.db2.gz LILBRXIUWQMVMN-CVMIBZJCSA-N 1 2 386.412 -0.676 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)O1 ZINC000969299323 1072160788 /nfs/dbraw/zinc/16/07/88/1072160788.db2.gz FZOHHBXRWIXTRA-YGNQVGSDSA-N 1 2 387.440 -0.252 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)O1 ZINC000969299323 1072160786 /nfs/dbraw/zinc/16/07/86/1072160786.db2.gz FZOHHBXRWIXTRA-YGNQVGSDSA-N 1 2 387.440 -0.252 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](O)C1 ZINC000969300010 1072160838 /nfs/dbraw/zinc/16/08/38/1072160838.db2.gz IANVYZYWHYGCOH-OLMMMNRUSA-N 1 2 376.457 0.000 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](O)C1 ZINC000969300854 1072160827 /nfs/dbraw/zinc/16/08/27/1072160827.db2.gz WDNPYPLGMQTFLV-GJRWTSMGSA-N 1 2 376.457 0.000 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](O)C1 ZINC000969306150 1072163195 /nfs/dbraw/zinc/16/31/95/1072163195.db2.gz HWUQPJIEKIEBLK-HZMVEIRTSA-N 1 2 376.457 -0.287 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](O)C1 ZINC000969311633 1072163827 /nfs/dbraw/zinc/16/38/27/1072163827.db2.gz GHPAWPRECMNNJQ-LJDUOBFASA-N 1 2 376.457 -0.144 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](O)C1 ZINC000969311893 1072163791 /nfs/dbraw/zinc/16/37/91/1072163791.db2.gz OFADGROWUZODHE-PYOGLGTISA-N 1 2 376.457 -0.144 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](O)C1 ZINC000969322021 1072167741 /nfs/dbraw/zinc/16/77/41/1072167741.db2.gz BHNKNJHPXSQOGW-SMWUWCCZSA-N 1 2 387.436 -0.256 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](O)C1 ZINC000969327435 1072169310 /nfs/dbraw/zinc/16/93/10/1072169310.db2.gz RWQUGRDMKBNXBJ-KQTLUZQSSA-N 1 2 385.424 -0.776 20 0 GBADLO CNC(=O)Cc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)n1 ZINC000969393908 1072179249 /nfs/dbraw/zinc/17/92/49/1072179249.db2.gz VGXLJLVTUOUQLH-PFHKOEEOSA-N 1 2 377.445 -0.136 20 0 GBADLO COc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1O ZINC000969404552 1072179949 /nfs/dbraw/zinc/17/99/49/1072179949.db2.gz RLRAKVDNYSXTMH-BHPKHCPMSA-N 1 2 385.424 -0.071 20 0 GBADLO CNC(=O)Cc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC000969407650 1072181144 /nfs/dbraw/zinc/18/11/44/1072181144.db2.gz OICQLZDOJHBPMQ-XJRQOMLMSA-N 1 2 375.429 -0.528 20 0 GBADLO CS(=O)(=O)Cc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC000969407714 1072181311 /nfs/dbraw/zinc/18/13/11/1072181311.db2.gz RYBWGIJHBDJBEV-TXACCCEWSA-N 1 2 396.469 -0.272 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1O ZINC000969413295 1072182351 /nfs/dbraw/zinc/18/23/51/1072182351.db2.gz RIIFQVYEAXSHFT-DLYIQGBQSA-N 1 2 378.429 -1.000 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](O)C1 ZINC000969414880 1072182330 /nfs/dbraw/zinc/18/23/30/1072182330.db2.gz OUFXINKBDRBUDC-CVMIBZJCSA-N 1 2 383.412 -0.499 20 0 GBADLO COc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)cnn1C ZINC000969432609 1072184653 /nfs/dbraw/zinc/18/46/53/1072184653.db2.gz SCBYUZFSNQJKAS-CVMIBZJCSA-N 1 2 388.428 -0.733 20 0 GBADLO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)c1C ZINC000969470571 1072189619 /nfs/dbraw/zinc/18/96/19/1072189619.db2.gz BZOQIMKHDIAZDQ-OXHZDVMGSA-N 1 2 386.412 -0.373 20 0 GBADLO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)c1C ZINC000969470571 1072189616 /nfs/dbraw/zinc/18/96/16/1072189616.db2.gz BZOQIMKHDIAZDQ-OXHZDVMGSA-N 1 2 386.412 -0.373 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O)c1cnn2cccnc12 ZINC000969473205 1072189406 /nfs/dbraw/zinc/18/94/06/1072189406.db2.gz LEZPASXXNGOPQG-FKGLVLAHSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O)c1cnn2cccnc12 ZINC000969473205 1072189399 /nfs/dbraw/zinc/18/93/99/1072189399.db2.gz LEZPASXXNGOPQG-FKGLVLAHSA-N 1 2 381.396 -0.442 20 0 GBADLO COc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)c1 ZINC000969488985 1072190077 /nfs/dbraw/zinc/19/00/77/1072190077.db2.gz FSLFAXXAVKXUQM-SMKXDYDZSA-N 1 2 385.424 -0.071 20 0 GBADLO COc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1O ZINC000969507637 1072193002 /nfs/dbraw/zinc/19/30/02/1072193002.db2.gz XTMLQGZQUDNHKE-CVMIBZJCSA-N 1 2 388.428 -0.733 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](O)C1 ZINC000969600475 1072199317 /nfs/dbraw/zinc/19/93/17/1072199317.db2.gz BYKPEUWVDROZKY-CBZIJGRNSA-N 1 2 376.457 -0.144 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](O)C1 ZINC000969600556 1072199353 /nfs/dbraw/zinc/19/93/53/1072199353.db2.gz FGGAWVSUJOVJHZ-BSXFFOKHSA-N 1 2 376.457 -0.144 20 0 GBADLO Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)c(C)[nH+]1 ZINC000969601571 1072199832 /nfs/dbraw/zinc/19/98/32/1072199832.db2.gz SVHDTZDLEITLMQ-CBBWQLFWSA-N 1 2 390.440 -0.659 20 0 GBADLO CCc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)n(C)n1 ZINC000969623773 1072202419 /nfs/dbraw/zinc/20/24/19/1072202419.db2.gz CFLHAPOLIURELI-SRABZTEZSA-N 1 2 386.456 -0.260 20 0 GBADLO CCc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)n(C)n1 ZINC000969623773 1072202405 /nfs/dbraw/zinc/20/24/05/1072202405.db2.gz CFLHAPOLIURELI-SRABZTEZSA-N 1 2 386.456 -0.260 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000969633823 1072205578 /nfs/dbraw/zinc/20/55/78/1072205578.db2.gz MWDBQTXKRBFWAF-NCOADZHNSA-N 1 2 392.456 -0.804 20 0 GBADLO CC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H](O)C2)CC1 ZINC000969635182 1072204129 /nfs/dbraw/zinc/20/41/29/1072204129.db2.gz WWHJVLQUSUOPJP-WCVJEAGWSA-N 1 2 381.473 -0.646 20 0 GBADLO C/C=C(/C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969640969 1072206158 /nfs/dbraw/zinc/20/61/58/1072206158.db2.gz BLGNRWJLTIQSRH-XCAVIPPZSA-N 1 2 381.473 -0.480 20 0 GBADLO C/C=C(\C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969640972 1072206133 /nfs/dbraw/zinc/20/61/33/1072206133.db2.gz BLGNRWJLTIQSRH-YYKGJWROSA-N 1 2 381.473 -0.480 20 0 GBADLO CC(C)=CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969641026 1072206337 /nfs/dbraw/zinc/20/63/37/1072206337.db2.gz CZOGPODHIQOSRC-NCOADZHNSA-N 1 2 381.473 -0.480 20 0 GBADLO O=C(/C=C/C1CC1)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969641153 1072206186 /nfs/dbraw/zinc/20/61/86/1072206186.db2.gz FQBJXDKVUOEDGP-PMHXXAMCSA-N 1 2 393.484 -0.480 20 0 GBADLO O=C(/C=C\C1CC1)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969641154 1072206272 /nfs/dbraw/zinc/20/62/72/1072206272.db2.gz FQBJXDKVUOEDGP-XWSHBOQSSA-N 1 2 393.484 -0.480 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)C2CC=CC2)C[C@@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000969641163 1072206290 /nfs/dbraw/zinc/20/62/90/1072206290.db2.gz GFOKACCZLZLRSJ-BDXSIMOUSA-N 1 2 393.484 -0.480 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000969641180 1072206246 /nfs/dbraw/zinc/20/62/46/1072206246.db2.gz GQZWLVPJTNJIDI-WCVJEAGWSA-N 1 2 393.440 -0.539 20 0 GBADLO CC(C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969641286 1072206107 /nfs/dbraw/zinc/20/61/07/1072206107.db2.gz HSDZVFGMDIVXSW-NCOADZHNSA-N 1 2 383.489 -0.400 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000969641409 1072206126 /nfs/dbraw/zinc/20/61/26/1072206126.db2.gz JBSOQYDJRDVHLY-NCOADZHNSA-N 1 2 381.473 -0.646 20 0 GBADLO O=C(C=C1CCC1)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969641752 1072206313 /nfs/dbraw/zinc/20/63/13/1072206313.db2.gz NESWFMKUGMXZOB-BDXSIMOUSA-N 1 2 393.484 -0.336 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000969642069 1072206031 /nfs/dbraw/zinc/20/60/31/1072206031.db2.gz PCFSUKADXVUUIN-SIXLDLHFSA-N 1 2 392.456 -0.804 20 0 GBADLO CC(C)(F)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969642180 1072205953 /nfs/dbraw/zinc/20/59/53/1072205953.db2.gz QGNRDEFPDGULKE-KBXIAJHMSA-N 1 2 387.452 -0.698 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000969642242 1072207074 /nfs/dbraw/zinc/20/70/74/1072207074.db2.gz RDZAWMPUVDUTNC-NCOADZHNSA-N 1 2 393.440 -0.539 20 0 GBADLO O=C(CC1CC1)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969642282 1072206822 /nfs/dbraw/zinc/20/68/22/1072206822.db2.gz RTJHKGYPZFDJJT-NCOADZHNSA-N 1 2 381.473 -0.646 20 0 GBADLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1O ZINC000969642614 1072206853 /nfs/dbraw/zinc/20/68/53/1072206853.db2.gz OCGQQMMWPXNCKX-BHPKHCPMSA-N 1 2 386.456 -0.088 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)C2=CCCC2)C[C@@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000969642725 1072210225 /nfs/dbraw/zinc/21/02/25/1072210225.db2.gz VSGLVHIQHREVMK-BDXSIMOUSA-N 1 2 393.484 -0.336 20 0 GBADLO CC(F)(F)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969642736 1072210193 /nfs/dbraw/zinc/21/01/93/1072210193.db2.gz VZGIYSUNJDVCLD-MQYQWHSLSA-N 1 2 391.415 -0.791 20 0 GBADLO CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969643043 1072210027 /nfs/dbraw/zinc/21/00/27/1072210027.db2.gz ZFJUJBLCJVOAOI-WCVJEAGWSA-N 1 2 383.489 -0.400 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@@H](O)C1 ZINC000969643138 1072209746 /nfs/dbraw/zinc/20/97/46/1072209746.db2.gz RFUBYPCRGPTAAD-KQTLUZQSSA-N 1 2 386.456 -0.422 20 0 GBADLO CCn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)nn1 ZINC000969643564 1072210728 /nfs/dbraw/zinc/21/07/28/1072210728.db2.gz VIEOTENFKOCGAJ-KQTLUZQSSA-N 1 2 387.444 -0.934 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@@H](O)C1 ZINC000969643728 1072210947 /nfs/dbraw/zinc/21/09/47/1072210947.db2.gz YFQOTWRPHMKZRQ-ANQUJSFKSA-N 1 2 386.456 -0.422 20 0 GBADLO CC(C)(C(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1)c1c[nH+]c[nH]1 ZINC000969648450 1072207689 /nfs/dbraw/zinc/20/76/89/1072207689.db2.gz BNYFHXZPRGRRHJ-JHZZJYKESA-N 1 2 392.456 -0.573 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC000969649168 1072208599 /nfs/dbraw/zinc/20/85/99/1072208599.db2.gz DQARJRGEDRZFDY-LJDUOBFASA-N 1 2 392.456 -0.908 20 0 GBADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC000969649419 1072208443 /nfs/dbraw/zinc/20/84/43/1072208443.db2.gz GHEXGNHLHCFUNK-FUAJKEFHSA-N 1 2 378.429 -0.918 20 0 GBADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC000969649419 1072208440 /nfs/dbraw/zinc/20/84/40/1072208440.db2.gz GHEXGNHLHCFUNK-FUAJKEFHSA-N 1 2 378.429 -0.918 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC000969650004 1072210068 /nfs/dbraw/zinc/21/00/68/1072210068.db2.gz NTRPMLUUWMEOAQ-DLYIQGBQSA-N 1 2 378.429 -1.000 20 0 GBADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC000969650172 1072210051 /nfs/dbraw/zinc/21/00/51/1072210051.db2.gz SRHBXCBZAMECCT-JEJJNBGPSA-N 1 2 378.429 -0.918 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC000969651073 1072211423 /nfs/dbraw/zinc/21/14/23/1072211423.db2.gz XPYOIQBWZAPOSR-PYOGLGTISA-N 1 2 392.456 -0.908 20 0 GBADLO O=C(CCn1cc[nH+]c1)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC000969651184 1072212467 /nfs/dbraw/zinc/21/24/67/1072212467.db2.gz ZFWGHTYASUMCEY-KSXIZUIISA-N 1 2 378.429 -0.987 20 0 GBADLO COCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)cn1 ZINC000969670833 1072213923 /nfs/dbraw/zinc/21/39/23/1072213923.db2.gz SHJOUWMFRJKRNY-XOUADPBQSA-N 1 2 388.428 -0.642 20 0 GBADLO COCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)cn1 ZINC000969670833 1072213913 /nfs/dbraw/zinc/21/39/13/1072213913.db2.gz SHJOUWMFRJKRNY-XOUADPBQSA-N 1 2 388.428 -0.642 20 0 GBADLO Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000969674240 1072214244 /nfs/dbraw/zinc/21/42/44/1072214244.db2.gz JUUMPJRFYRVZHI-WFFHOREQSA-N 1 2 376.392 -0.304 20 0 GBADLO Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000969674240 1072214232 /nfs/dbraw/zinc/21/42/32/1072214232.db2.gz JUUMPJRFYRVZHI-WFFHOREQSA-N 1 2 376.392 -0.304 20 0 GBADLO Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1O ZINC000969674567 1072213985 /nfs/dbraw/zinc/21/39/85/1072213985.db2.gz PLSGHASMVRHOMD-BYNQJWBRSA-N 1 2 390.419 -0.294 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O)c1nccn2ccnc12 ZINC000969723916 1072216184 /nfs/dbraw/zinc/21/61/84/1072216184.db2.gz FEGLCOFPDYEMKW-OXHZDVMGSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O)c1nccn2ccnc12 ZINC000969723916 1072216180 /nfs/dbraw/zinc/21/61/80/1072216180.db2.gz FEGLCOFPDYEMKW-OXHZDVMGSA-N 1 2 381.396 -0.442 20 0 GBADLO Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)c(C)n1 ZINC000969725480 1072217259 /nfs/dbraw/zinc/21/72/59/1072217259.db2.gz GVOCDDDTDUVSMC-SMKXDYDZSA-N 1 2 384.440 -0.068 20 0 GBADLO CCn1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)ccc1=O ZINC000969726511 1072217009 /nfs/dbraw/zinc/21/70/09/1072217009.db2.gz TUIFKPGVSCYVCO-FKGLVLAHSA-N 1 2 386.412 -0.909 20 0 GBADLO CCn1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)ccc1=O ZINC000969726511 1072217003 /nfs/dbraw/zinc/21/70/03/1072217003.db2.gz TUIFKPGVSCYVCO-FKGLVLAHSA-N 1 2 386.412 -0.909 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC000969849988 1072224958 /nfs/dbraw/zinc/22/49/58/1072224958.db2.gz CNMSGBDKIVVAPJ-PRFIWBCESA-N 1 2 377.426 -0.313 20 0 GBADLO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1O ZINC000969884405 1072231512 /nfs/dbraw/zinc/23/15/12/1072231512.db2.gz YDCUJRYOEXWMMA-BYNQJWBRSA-N 1 2 386.412 -0.671 20 0 GBADLO COc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)nc1 ZINC000969953344 1072236507 /nfs/dbraw/zinc/23/65/07/1072236507.db2.gz PAVUJDLQLMFERU-SRABZTEZSA-N 1 2 385.424 -0.153 20 0 GBADLO COc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)nc1 ZINC000969953344 1072236500 /nfs/dbraw/zinc/23/65/00/1072236500.db2.gz PAVUJDLQLMFERU-SRABZTEZSA-N 1 2 385.424 -0.153 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](O)C1 ZINC000969970431 1072237350 /nfs/dbraw/zinc/23/73/50/1072237350.db2.gz IUKRMRKDJYEYNN-RYPCIWMOSA-N 1 2 387.415 -0.012 20 0 GBADLO COc1cccnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000969973186 1072237429 /nfs/dbraw/zinc/23/74/29/1072237429.db2.gz RZCFPOJZKVYBDI-BHTHQVBYSA-N 1 2 385.424 -0.153 20 0 GBADLO COc1cccnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000969973186 1072237422 /nfs/dbraw/zinc/23/74/22/1072237422.db2.gz RZCFPOJZKVYBDI-BHTHQVBYSA-N 1 2 385.424 -0.153 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC000970001857 1072239414 /nfs/dbraw/zinc/23/94/14/1072239414.db2.gz RBARBGDYVMDKFY-GBOPCIDUSA-N 1 2 386.412 -0.461 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O)c1cc2ncccn2n1 ZINC000970020443 1072240847 /nfs/dbraw/zinc/24/08/47/1072240847.db2.gz VIQSWOUTWNSBGZ-FKGLVLAHSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O)c1cc2ncccn2n1 ZINC000970020443 1072240838 /nfs/dbraw/zinc/24/08/38/1072240838.db2.gz VIQSWOUTWNSBGZ-FKGLVLAHSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@@H]1O ZINC000970092734 1072246900 /nfs/dbraw/zinc/24/69/00/1072246900.db2.gz GEBFKDZAXHRSES-BSXFFOKHSA-N 1 2 385.424 -0.187 20 0 GBADLO NC(=O)Cc1occc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000970131151 1072261899 /nfs/dbraw/zinc/26/18/99/1072261899.db2.gz OSRGREQGIJVCHN-OXHZDVMGSA-N 1 2 387.396 -0.864 20 0 GBADLO NC(=O)Cc1occc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000970131151 1072261889 /nfs/dbraw/zinc/26/18/89/1072261889.db2.gz OSRGREQGIJVCHN-OXHZDVMGSA-N 1 2 387.396 -0.864 20 0 GBADLO C[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000970176820 1072293918 /nfs/dbraw/zinc/29/39/18/1072293918.db2.gz NDRBUTJVOJKEIG-BWQRHGBYSA-N 1 2 378.473 -0.804 20 0 GBADLO C[C@@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1C[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000970176822 1072294001 /nfs/dbraw/zinc/29/40/01/1072294001.db2.gz NDRBUTJVOJKEIG-VAGZCVSGSA-N 1 2 378.473 -0.804 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O)c1cn(CC2CC2)nn1 ZINC000970229203 1072305870 /nfs/dbraw/zinc/30/58/70/1072305870.db2.gz APUVRGIREJSXOR-NCZKRNLISA-N 1 2 385.428 -0.484 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O)c1cn(CC2CC2)nn1 ZINC000970229203 1072305857 /nfs/dbraw/zinc/30/58/57/1072305857.db2.gz APUVRGIREJSXOR-NCZKRNLISA-N 1 2 385.428 -0.484 20 0 GBADLO CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)nn1 ZINC000970233768 1072307362 /nfs/dbraw/zinc/30/73/62/1072307362.db2.gz GCZASJJUFCPTHP-JXFSHQFZSA-N 1 2 387.444 -0.473 20 0 GBADLO Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)nnn1C(C)C ZINC000970234809 1072306955 /nfs/dbraw/zinc/30/69/55/1072306955.db2.gz ZDIZFNIGLPHEAA-GBOPCIDUSA-N 1 2 387.444 -0.004 20 0 GBADLO Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)nnn1C(C)C ZINC000970234809 1072306942 /nfs/dbraw/zinc/30/69/42/1072306942.db2.gz ZDIZFNIGLPHEAA-GBOPCIDUSA-N 1 2 387.444 -0.004 20 0 GBADLO CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)nn1 ZINC000970235312 1072307248 /nfs/dbraw/zinc/30/72/48/1072307248.db2.gz CMBMYMMWCHCEGP-JXFSHQFZSA-N 1 2 387.444 -0.302 20 0 GBADLO COCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)co1 ZINC000970241749 1072308797 /nfs/dbraw/zinc/30/87/97/1072308797.db2.gz KKPWVSZUUJIVLX-FTUHBYGFSA-N 1 2 375.385 -0.351 20 0 GBADLO COCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)co1 ZINC000970241749 1072308790 /nfs/dbraw/zinc/30/87/90/1072308790.db2.gz KKPWVSZUUJIVLX-FTUHBYGFSA-N 1 2 375.385 -0.351 20 0 GBADLO COCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)co1 ZINC000970244972 1072307971 /nfs/dbraw/zinc/30/79/71/1072307971.db2.gz JTTQBMVLSOMIEH-BLTAXRJOSA-N 1 2 389.412 -0.340 20 0 GBADLO Cn1cc(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)cn1 ZINC000970252812 1072309156 /nfs/dbraw/zinc/30/91/56/1072309156.db2.gz NIZQAMRQCAKOGS-XOUADPBQSA-N 1 2 386.456 -0.088 20 0 GBADLO Cn1cc(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)cn1 ZINC000970252812 1072309147 /nfs/dbraw/zinc/30/91/47/1072309147.db2.gz NIZQAMRQCAKOGS-XOUADPBQSA-N 1 2 386.456 -0.088 20 0 GBADLO COc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)n1 ZINC000970267792 1072310868 /nfs/dbraw/zinc/31/08/68/1072310868.db2.gz LIMLJFXHFJFEDE-NCZKRNLISA-N 1 2 385.424 -0.071 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](O)C1 ZINC000970280928 1072312703 /nfs/dbraw/zinc/31/27/03/1072312703.db2.gz MPNBDDZDZVJEPT-QXSJWSMHSA-N 1 2 383.408 -0.705 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000970287152 1072312952 /nfs/dbraw/zinc/31/29/52/1072312952.db2.gz DLIZOBAJRAGWRS-BVNXPQQUSA-N 1 2 383.408 -0.395 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1 ZINC000970287456 1072312773 /nfs/dbraw/zinc/31/27/73/1072312773.db2.gz ITBWUJAVCSQPMT-VZEFYGNVSA-N 1 2 385.424 -0.006 20 0 GBADLO COc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)cn1 ZINC000970290532 1072312824 /nfs/dbraw/zinc/31/28/24/1072312824.db2.gz GQYWXGOWCKYRGG-BHPKHCPMSA-N 1 2 386.412 -0.676 20 0 GBADLO Cc1cc(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)c[nH]1 ZINC000970292648 1072313721 /nfs/dbraw/zinc/31/37/21/1072313721.db2.gz XTXBIWOJNVSMKS-LGIULTMTSA-N 1 2 385.424 -0.478 20 0 GBADLO COc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1O ZINC000970312499 1072314444 /nfs/dbraw/zinc/31/44/44/1072314444.db2.gz DUBWLLOTVCJXBX-KQTLUZQSSA-N 1 2 385.424 -0.071 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 ZINC000970424685 1072320621 /nfs/dbraw/zinc/32/06/21/1072320621.db2.gz DYVPTFHOFKPJER-JXFSHQFZSA-N 1 2 385.424 -0.776 20 0 GBADLO Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1O ZINC000970431953 1072321650 /nfs/dbraw/zinc/32/16/50/1072321650.db2.gz TXEYBPNHIQTXTP-NCZKRNLISA-N 1 2 385.424 -0.066 20 0 GBADLO CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@@H]1O ZINC000970443097 1072322551 /nfs/dbraw/zinc/32/25/51/1072322551.db2.gz WSOSOFPVYLWUFP-WCVJEAGWSA-N 1 2 383.489 -0.400 20 0 GBADLO COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)nn1 ZINC000970558315 1072334507 /nfs/dbraw/zinc/33/45/07/1072334507.db2.gz NXVJOYRLXWWAHW-CVMIBZJCSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@@H](O)C1 ZINC000970597617 1072345773 /nfs/dbraw/zinc/34/57/73/1072345773.db2.gz MAERGRWYKJSRCR-BYNQJWBRSA-N 1 2 387.396 -0.783 20 0 GBADLO CCc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)nnn1CC ZINC000970610898 1072347802 /nfs/dbraw/zinc/34/78/02/1072347802.db2.gz ISVBLPYAWGNGER-CVMIBZJCSA-N 1 2 387.444 -0.311 20 0 GBADLO CCc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)nnn1CC ZINC000970610898 1072347793 /nfs/dbraw/zinc/34/77/93/1072347793.db2.gz ISVBLPYAWGNGER-CVMIBZJCSA-N 1 2 387.444 -0.311 20 0 GBADLO Cc1cc(C)c(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H](O)C2)c(C)[nH+]1 ZINC000970618498 1072351205 /nfs/dbraw/zinc/35/12/05/1072351205.db2.gz AZEOKFZZOFVBHJ-CBBWQLFWSA-N 1 2 390.440 -0.659 20 0 GBADLO COc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)ccn1 ZINC000970651001 1072357797 /nfs/dbraw/zinc/35/77/97/1072357797.db2.gz YXIJDLFLZAIGFN-XOUADPBQSA-N 1 2 385.424 -0.153 20 0 GBADLO COc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)ccn1 ZINC000970651001 1072357790 /nfs/dbraw/zinc/35/77/90/1072357790.db2.gz YXIJDLFLZAIGFN-XOUADPBQSA-N 1 2 385.424 -0.153 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1O ZINC000970656441 1072360480 /nfs/dbraw/zinc/36/04/80/1072360480.db2.gz SSCXNOUNOUFSAE-LOWDOPEQSA-N 1 2 377.445 -0.901 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000970657582 1072361268 /nfs/dbraw/zinc/36/12/68/1072361268.db2.gz XMIBCJRZOMLFFZ-QXSJWSMHSA-N 1 2 383.408 -0.705 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1O ZINC000970662391 1072362742 /nfs/dbraw/zinc/36/27/42/1072362742.db2.gz HMYYROLUSQBSJD-QXSJWSMHSA-N 1 2 383.408 -0.705 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1O ZINC000970663960 1072366076 /nfs/dbraw/zinc/36/60/76/1072366076.db2.gz JNBFZNBBEGJXRP-JLNYLFASSA-N 1 2 385.424 -0.640 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](O)C1 ZINC000970664829 1072367994 /nfs/dbraw/zinc/36/79/94/1072367994.db2.gz ILQUHXMJOFAWTP-YJNKXOJESA-N 1 2 390.440 -0.955 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H](O)C2)c[nH+]1 ZINC000970665309 1072368856 /nfs/dbraw/zinc/36/88/56/1072368856.db2.gz POUJPCCTSZCWGJ-YJNKXOJESA-N 1 2 391.472 -0.661 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)c[nH+]1 ZINC000970668440 1072372259 /nfs/dbraw/zinc/37/22/59/1072372259.db2.gz AUMUUHDOZUMGHQ-BARDWOONSA-N 1 2 391.472 -0.484 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2O)C1 ZINC000970668702 1072373200 /nfs/dbraw/zinc/37/32/00/1072373200.db2.gz MZEOBABQRKNAED-COMQUAJESA-N 1 2 385.424 -0.463 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2O)C1 ZINC000970668780 1072373028 /nfs/dbraw/zinc/37/30/28/1072373028.db2.gz IGNQIWHSAXKCAZ-CJTUPEFNSA-N 1 2 385.424 -0.234 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1 ZINC000970669394 1072374359 /nfs/dbraw/zinc/37/43/59/1072374359.db2.gz TZNOHIQUXCGUKW-OSRDXIQISA-N 1 2 390.440 -0.778 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000970670940 1072371571 /nfs/dbraw/zinc/37/15/71/1072371571.db2.gz FXWRWKBOXLWQLH-OJDYBEQGSA-N 1 2 385.424 -0.411 20 0 GBADLO CC(C)(C(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1)c1c[nH+]c[nH]1 ZINC000970674582 1072376553 /nfs/dbraw/zinc/37/65/53/1072376553.db2.gz RIMKSEGSSYKZSQ-XQHKEYJVSA-N 1 2 377.445 -0.723 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@@H]1O ZINC000970688003 1072381643 /nfs/dbraw/zinc/38/16/43/1072381643.db2.gz BMTQBVLERFQNJS-RYPCIWMOSA-N 1 2 387.415 -0.012 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1O ZINC000970688076 1072382318 /nfs/dbraw/zinc/38/23/18/1072382318.db2.gz COIXCBMGVTTYCZ-KQTLUZQSSA-N 1 2 385.424 -0.776 20 0 GBADLO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970688710 1072381718 /nfs/dbraw/zinc/38/17/18/1072381718.db2.gz FYCTVJIUDWWEIZ-BYNQJWBRSA-N 1 2 386.412 -0.671 20 0 GBADLO CCn1nc(C)c(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC000970688715 1072381830 /nfs/dbraw/zinc/38/18/30/1072381830.db2.gz GHNPXUQWZYJWTN-BHPKHCPMSA-N 1 2 387.444 -0.555 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1O ZINC000970688927 1072381845 /nfs/dbraw/zinc/38/18/45/1072381845.db2.gz KQAPCDRZQJNDMI-NCZKRNLISA-N 1 2 384.440 -0.263 20 0 GBADLO CCc1c[nH]c(CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC000970688952 1072382176 /nfs/dbraw/zinc/38/21/76/1072382176.db2.gz LNTFPIULPCBHEQ-KQTLUZQSSA-N 1 2 386.456 -0.260 20 0 GBADLO COc1ccnc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC000970688968 1072381766 /nfs/dbraw/zinc/38/17/66/1072381766.db2.gz MBOKGVVYNFRKFU-SMKXDYDZSA-N 1 2 385.424 -0.071 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1O ZINC000970688995 1072381974 /nfs/dbraw/zinc/38/19/74/1072381974.db2.gz MRJYJKSYNZLTLH-JXFSHQFZSA-N 1 2 384.440 -0.332 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@@H]1O ZINC000970688999 1072381666 /nfs/dbraw/zinc/38/16/66/1072381666.db2.gz MSZQKEANQMBXBO-ANQUJSFKSA-N 1 2 387.415 -0.012 20 0 GBADLO CCc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)nn1C ZINC000970689255 1072382303 /nfs/dbraw/zinc/38/23/03/1072382303.db2.gz OWJAUXWKDTUAFF-SMKXDYDZSA-N 1 2 386.456 -0.179 20 0 GBADLO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000970689285 1072382057 /nfs/dbraw/zinc/38/20/57/1072382057.db2.gz PXNSFOFHSYVXKZ-MHWZDGSBSA-N 1 2 387.396 -0.376 20 0 GBADLO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000970689285 1072382053 /nfs/dbraw/zinc/38/20/53/1072382053.db2.gz PXNSFOFHSYVXKZ-MHWZDGSBSA-N 1 2 387.396 -0.376 20 0 GBADLO COc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970689290 1072382328 /nfs/dbraw/zinc/38/23/28/1072382328.db2.gz QAKMZCOAUORKPM-CVMIBZJCSA-N 1 2 388.428 -0.733 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)ccn1 ZINC000970689307 1072382916 /nfs/dbraw/zinc/38/29/16/1072382916.db2.gz QULFGLSNHKILSN-KQTLUZQSSA-N 1 2 385.424 -0.071 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@@H]1O ZINC000970689338 1072382020 /nfs/dbraw/zinc/38/20/20/1072382020.db2.gz RQICOWRJJCVUCR-PRFIWBCESA-N 1 2 377.426 -0.313 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@@H]1O ZINC000970689576 1072381600 /nfs/dbraw/zinc/38/16/00/1072381600.db2.gz WCLUVCAEIHGNJI-FTUHBYGFSA-N 1 2 392.847 -0.088 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1O ZINC000970693082 1072383755 /nfs/dbraw/zinc/38/37/55/1072383755.db2.gz NCWYOXSFHOURPJ-VZEFYGNVSA-N 1 2 385.424 -0.006 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1O ZINC000970693536 1072383536 /nfs/dbraw/zinc/38/35/36/1072383536.db2.gz VOYLWEZRACHRJI-VZEFYGNVSA-N 1 2 385.424 -0.006 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1O ZINC000970694595 1072384683 /nfs/dbraw/zinc/38/46/83/1072384683.db2.gz SDSRVZKJWSOVIZ-TXPWEPMLSA-N 1 2 376.457 -0.125 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)on1 ZINC000970695725 1072385546 /nfs/dbraw/zinc/38/55/46/1072385546.db2.gz ASCJTXLQYMVTHU-UZWSLXQKSA-N 1 2 375.385 -0.478 20 0 GBADLO CCc1c(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)cnn1C ZINC000970695750 1072385219 /nfs/dbraw/zinc/38/52/19/1072385219.db2.gz BGXLEPCVAFUVRL-LGIULTMTSA-N 1 2 386.456 -0.179 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)COc2cccnc2)C[C@@H]1O ZINC000970695755 1072385381 /nfs/dbraw/zinc/38/53/81/1072385381.db2.gz BNNNUWFIWYMOTC-ANQUJSFKSA-N 1 2 385.424 -0.315 20 0 GBADLO Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)c(=O)[nH]1 ZINC000970695794 1072385734 /nfs/dbraw/zinc/38/57/34/1072385734.db2.gz DCYJKCHNLSXXMQ-KQTLUZQSSA-N 1 2 385.424 -0.066 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)nn1C ZINC000970695810 1072385504 /nfs/dbraw/zinc/38/55/04/1072385504.db2.gz DSXZDMVBIRDJFR-CVMIBZJCSA-N 1 2 388.428 -0.733 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1O ZINC000970695929 1072385767 /nfs/dbraw/zinc/38/57/67/1072385767.db2.gz GXLQYIZJBWTYOA-KQTLUZQSSA-N 1 2 385.424 -0.927 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@@H]1O ZINC000970696013 1072385491 /nfs/dbraw/zinc/38/54/91/1072385491.db2.gz JISTYRNVMNRNJH-LGIULTMTSA-N 1 2 385.424 -0.776 20 0 GBADLO COc1cnc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)nc1 ZINC000970696052 1072385626 /nfs/dbraw/zinc/38/56/26/1072385626.db2.gz JYZGENILNGRTJI-BHPKHCPMSA-N 1 2 386.412 -0.676 20 0 GBADLO Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)nc(C)n1 ZINC000970696145 1072385792 /nfs/dbraw/zinc/38/57/92/1072385792.db2.gz LZENXIJDRVTBJG-SMKXDYDZSA-N 1 2 384.440 -0.068 20 0 GBADLO CCOc1nc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)co1 ZINC000970696169 1072385366 /nfs/dbraw/zinc/38/53/66/1072385366.db2.gz MWNHRTBPLZISNG-BLTAXRJOSA-N 1 2 389.412 -0.088 20 0 GBADLO CCc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970696196 1072385342 /nfs/dbraw/zinc/38/53/42/1072385342.db2.gz NWOLOFKJXDYILR-RYPCIWMOSA-N 1 2 386.456 -0.179 20 0 GBADLO CCOc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)[nH]n1 ZINC000970696303 1072385294 /nfs/dbraw/zinc/38/52/94/1072385294.db2.gz PKXDMWHXFBERII-CVMIBZJCSA-N 1 2 388.428 -0.353 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@@H]1O ZINC000970696493 1072385476 /nfs/dbraw/zinc/38/54/76/1072385476.db2.gz QHXNPKNIHZJSJL-FTUHBYGFSA-N 1 2 392.847 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1O ZINC000970696511 1072385181 /nfs/dbraw/zinc/38/51/81/1072385181.db2.gz QZEKKKXHFGFCDT-BHPKHCPMSA-N 1 2 378.429 -0.635 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1O ZINC000970696541 1072385401 /nfs/dbraw/zinc/38/54/01/1072385401.db2.gz ROBPDZYYGMTEJS-KQTLUZQSSA-N 1 2 389.456 -0.776 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1O ZINC000970696577 1072385752 /nfs/dbraw/zinc/38/57/52/1072385752.db2.gz SFCJGNFMTRDDEJ-KQTLUZQSSA-N 1 2 385.424 -0.776 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1O ZINC000970696676 1072385701 /nfs/dbraw/zinc/38/57/01/1072385701.db2.gz VCISCSKUIKABGD-UZWSLXQKSA-N 1 2 387.396 -0.783 20 0 GBADLO Cc1nnsc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970696874 1072385162 /nfs/dbraw/zinc/38/51/62/1072385162.db2.gz YGQCTGLEGWAPBD-UZWSLXQKSA-N 1 2 376.442 -0.315 20 0 GBADLO CCc1ncncc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970697642 1072384711 /nfs/dbraw/zinc/38/47/11/1072384711.db2.gz AZRRMTOIGXSXRA-RYPCIWMOSA-N 1 2 384.440 -0.122 20 0 GBADLO COCc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)no1 ZINC000970697674 1072384759 /nfs/dbraw/zinc/38/47/59/1072384759.db2.gz BNRGCVBCUNZELO-NCZKRNLISA-N 1 2 389.412 -0.340 20 0 GBADLO Cc1cnn(CCC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC000970697823 1072384409 /nfs/dbraw/zinc/38/44/09/1072384409.db2.gz FSBWRYFVRCSZQH-ANQUJSFKSA-N 1 2 386.456 -0.193 20 0 GBADLO Cn1cc(CCC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)cn1 ZINC000970698027 1072384725 /nfs/dbraw/zinc/38/47/25/1072384725.db2.gz GXYOHTVNTBYLAI-ANQUJSFKSA-N 1 2 386.456 -0.422 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cncnc2)C[C@@H]1O ZINC000970698064 1072384637 /nfs/dbraw/zinc/38/46/37/1072384637.db2.gz HPKKUDXEADTHJY-ANQUJSFKSA-N 1 2 384.440 -0.366 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1O ZINC000970698151 1072384842 /nfs/dbraw/zinc/38/48/42/1072384842.db2.gz IFHRPLIAGYUAFS-BYNQJWBRSA-N 1 2 387.396 -0.783 20 0 GBADLO Cc1noc(CCC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC000970698162 1072384369 /nfs/dbraw/zinc/38/43/69/1072384369.db2.gz IPOFAHMZWQLFAS-BHPKHCPMSA-N 1 2 388.428 -0.464 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1O ZINC000970698238 1072384812 /nfs/dbraw/zinc/38/48/12/1072384812.db2.gz JKCNADRBVSIOGG-JXFSHQFZSA-N 1 2 384.440 -0.332 20 0 GBADLO COc1nc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)co1 ZINC000970698248 1072384584 /nfs/dbraw/zinc/38/45/84/1072384584.db2.gz JPOQXJXJWMYJFE-BIAAXOCRSA-N 1 2 375.385 -0.478 20 0 GBADLO COc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)cn1 ZINC000970698702 1072387614 /nfs/dbraw/zinc/38/76/14/1072387614.db2.gz LUQYSRRXKSPEEO-KQTLUZQSSA-N 1 2 385.424 -0.071 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)sn1 ZINC000970698870 1072385443 /nfs/dbraw/zinc/38/54/43/1072385443.db2.gz ONDQGFJDJOMBFY-UZWSLXQKSA-N 1 2 391.453 -0.010 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cscn2)C[C@@H]1O ZINC000970698922 1072385678 /nfs/dbraw/zinc/38/56/78/1072385678.db2.gz PDFVTFBAEQJHCI-BHPKHCPMSA-N 1 2 375.454 -0.089 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@@H]1O ZINC000970698950 1072385195 /nfs/dbraw/zinc/38/51/95/1072385195.db2.gz PPJRVULOJSOSPL-KQTLUZQSSA-N 1 2 389.456 -0.776 20 0 GBADLO Cc1nn(C)c(C)c1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970699107 1072385328 /nfs/dbraw/zinc/38/53/28/1072385328.db2.gz QLSWLLHKOUVMGS-KQTLUZQSSA-N 1 2 386.456 -0.124 20 0 GBADLO Cc1cc(C)n(CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC000970699115 1072385459 /nfs/dbraw/zinc/38/54/59/1072385459.db2.gz QNNAFULQPSNREO-ANQUJSFKSA-N 1 2 386.456 -0.275 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1O ZINC000970699127 1072385820 /nfs/dbraw/zinc/38/58/20/1072385820.db2.gz QTLGKGWOEVAYGD-BHPKHCPMSA-N 1 2 392.847 -0.238 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1O ZINC000970699139 1072385643 /nfs/dbraw/zinc/38/56/43/1072385643.db2.gz QXYMIMQGXLJSBP-CVMIBZJCSA-N 1 2 386.412 -0.886 20 0 GBADLO Cc1cc(CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n(C)n1 ZINC000970699142 1072385308 /nfs/dbraw/zinc/38/53/08/1072385308.db2.gz QYKMENUZCXZWGG-ANQUJSFKSA-N 1 2 386.456 -0.504 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@@H]1O ZINC000970699170 1072386493 /nfs/dbraw/zinc/38/64/93/1072386493.db2.gz RQHUJIYLXHJXPG-SMKXDYDZSA-N 1 2 384.440 -0.332 20 0 GBADLO Cc1nn(C)cc1CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970699190 1072386303 /nfs/dbraw/zinc/38/63/03/1072386303.db2.gz SJFYIANEFIQSGX-ANQUJSFKSA-N 1 2 386.456 -0.504 20 0 GBADLO CCn1ccc(CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC000970699195 1072386558 /nfs/dbraw/zinc/38/65/58/1072386558.db2.gz SKXZHCITHGQGQJ-ANQUJSFKSA-N 1 2 386.456 -0.329 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@@H]1O ZINC000970699229 1072386158 /nfs/dbraw/zinc/38/61/58/1072386158.db2.gz UOXBKVLHNSDGLF-KQTLUZQSSA-N 1 2 390.419 -0.309 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1O ZINC000970699360 1072386454 /nfs/dbraw/zinc/38/64/54/1072386454.db2.gz VAASOUBKCKTCLL-LGIULTMTSA-N 1 2 384.440 -0.332 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1O ZINC000970699370 1072386265 /nfs/dbraw/zinc/38/62/65/1072386265.db2.gz VMRNFTDADXMFNS-BHPKHCPMSA-N 1 2 380.420 -0.270 20 0 GBADLO Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970699376 1072386581 /nfs/dbraw/zinc/38/65/81/1072386581.db2.gz WBSAXMBSMGGZCT-ANQUJSFKSA-N 1 2 386.456 -0.206 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@@H]1O ZINC000970699390 1072386403 /nfs/dbraw/zinc/38/64/03/1072386403.db2.gz WZPOFYPOAUOPQG-BIAAXOCRSA-N 1 2 392.847 -0.088 20 0 GBADLO CCc1nnsc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970699443 1072386531 /nfs/dbraw/zinc/38/65/31/1072386531.db2.gz ZOGWCLDIZAZUMW-FTUHBYGFSA-N 1 2 390.469 -0.061 20 0 GBADLO CCOc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)on1 ZINC000970699445 1072386384 /nfs/dbraw/zinc/38/63/84/1072386384.db2.gz ZQRUMMCGULMWDE-BYNQJWBRSA-N 1 2 389.412 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@@H]1O ZINC000970699450 1072386544 /nfs/dbraw/zinc/38/65/44/1072386544.db2.gz ZXROHFAJMFYAON-KQTLUZQSSA-N 1 2 385.424 -0.445 20 0 GBADLO CCn1cc(CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)nn1 ZINC000970703770 1072387274 /nfs/dbraw/zinc/38/72/74/1072387274.db2.gz AKRLMCACUJTQNA-KQTLUZQSSA-N 1 2 387.444 -0.934 20 0 GBADLO CCc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n(C)n1 ZINC000970703779 1072387311 /nfs/dbraw/zinc/38/73/11/1072387311.db2.gz AWWUJQDDFRZWRN-WBOJAVRRSA-N 1 2 386.456 -0.179 20 0 GBADLO Cc1cc(=O)c(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)c[nH]1 ZINC000970703799 1072387160 /nfs/dbraw/zinc/38/71/60/1072387160.db2.gz BPTVZVOCZQFNMK-LGIULTMTSA-N 1 2 385.424 -0.478 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@@H]1O ZINC000970703819 1072387561 /nfs/dbraw/zinc/38/75/61/1072387561.db2.gz BYIXZWKAHIIBIS-FTUHBYGFSA-N 1 2 392.847 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@@H]1O ZINC000970703841 1072387218 /nfs/dbraw/zinc/38/72/18/1072387218.db2.gz COCBTCFKNKTQFQ-CVMIBZJCSA-N 1 2 383.412 -0.499 20 0 GBADLO Cc1c(CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)cnn1C ZINC000970703858 1072388602 /nfs/dbraw/zinc/38/86/02/1072388602.db2.gz DJYTXKYBHNWACU-ANQUJSFKSA-N 1 2 386.456 -0.504 20 0 GBADLO COc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)nn1 ZINC000970703861 1072388258 /nfs/dbraw/zinc/38/82/58/1072388258.db2.gz DNOQXQMUWNIOJB-CVMIBZJCSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1ccnc1CCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970703872 1072388167 /nfs/dbraw/zinc/38/81/67/1072388167.db2.gz FIQVJPNUIZVKAN-KQTLUZQSSA-N 1 2 386.456 -0.422 20 0 GBADLO COc1c(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)cnn1C ZINC000970703879 1072388297 /nfs/dbraw/zinc/38/82/97/1072388297.db2.gz FOSBVDYWDWKENH-CVMIBZJCSA-N 1 2 388.428 -0.733 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1O ZINC000970703887 1072388585 /nfs/dbraw/zinc/38/85/85/1072388585.db2.gz FVAWXJSIMZVIOR-ANQUJSFKSA-N 1 2 384.440 -0.366 20 0 GBADLO COc1nccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC000970703889 1072388554 /nfs/dbraw/zinc/38/85/54/1072388554.db2.gz FXFSUEXAWRMXFT-CVMIBZJCSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@@H]1O ZINC000970704035 1072389605 /nfs/dbraw/zinc/38/96/05/1072389605.db2.gz HDKSHQSFQNOITK-KQTLUZQSSA-N 1 2 385.424 -0.776 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)COC2CCOCC2)C[C@@H]1O ZINC000970704052 1072389462 /nfs/dbraw/zinc/38/94/62/1072389462.db2.gz HNXIOXKNQUUAHK-ANQUJSFKSA-N 1 2 392.456 -0.593 20 0 GBADLO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)c(Cl)n1 ZINC000970704065 1072389377 /nfs/dbraw/zinc/38/93/77/1072389377.db2.gz IDBSSTCZXGSBRY-FTUHBYGFSA-N 1 2 392.847 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@@H]1O ZINC000970704097 1072389024 /nfs/dbraw/zinc/38/90/24/1072389024.db2.gz JXIMPMBIDFMKRN-ANQUJSFKSA-N 1 2 386.456 -0.422 20 0 GBADLO CCn1cc(CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)cn1 ZINC000970704110 1072389561 /nfs/dbraw/zinc/38/95/61/1072389561.db2.gz KNTNFJGDNPCKNE-ANQUJSFKSA-N 1 2 386.456 -0.329 20 0 GBADLO COc1cccnc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970704201 1072389327 /nfs/dbraw/zinc/38/93/27/1072389327.db2.gz LLDYXYZUFZDSEE-BHPKHCPMSA-N 1 2 385.424 -0.071 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2ncccn2)C[C@@H]1O ZINC000970704244 1072388980 /nfs/dbraw/zinc/38/89/80/1072388980.db2.gz MLGSDGWIMPYFKM-KQTLUZQSSA-N 1 2 384.440 -0.366 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@@H]1O ZINC000970704271 1072389411 /nfs/dbraw/zinc/38/94/11/1072389411.db2.gz NNIVEFQGCDLSTR-JXFSHQFZSA-N 1 2 385.424 -0.776 20 0 GBADLO Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970704303 1072388069 /nfs/dbraw/zinc/38/80/69/1072388069.db2.gz OCZNEJZXLOKPMS-NCZKRNLISA-N 1 2 385.424 -0.066 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)ncn1 ZINC000970704307 1072387957 /nfs/dbraw/zinc/38/79/57/1072387957.db2.gz OEMWZNSGHBCBIQ-CVMIBZJCSA-N 1 2 386.412 -0.676 20 0 GBADLO COCc1nc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)co1 ZINC000970704308 1072388147 /nfs/dbraw/zinc/38/81/47/1072388147.db2.gz OFCRODFRONCRMP-BLTAXRJOSA-N 1 2 389.412 -0.340 20 0 GBADLO Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)c(C)nn1 ZINC000970704427 1072388019 /nfs/dbraw/zinc/38/80/19/1072388019.db2.gz PXAPUPKLAXQRJG-ANQUJSFKSA-N 1 2 384.440 -0.068 20 0 GBADLO Cn1cc(OCC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)cn1 ZINC000970704469 1072388360 /nfs/dbraw/zinc/38/83/60/1072388360.db2.gz RJRADWBZHCRQEQ-KQTLUZQSSA-N 1 2 388.428 -0.976 20 0 GBADLO COc1ncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)cn1 ZINC000970704486 1072388086 /nfs/dbraw/zinc/38/80/86/1072388086.db2.gz RWIRTGDWCFKVRM-BHPKHCPMSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1O ZINC000970704489 1072388336 /nfs/dbraw/zinc/38/83/36/1072388336.db2.gz RYZCKWCVFARWAI-ANQUJSFKSA-N 1 2 384.440 -0.366 20 0 GBADLO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1O ZINC000970704492 1072388192 /nfs/dbraw/zinc/38/81/92/1072388192.db2.gz RZGYKKYWEWDLPR-ANQUJSFKSA-N 1 2 386.456 -0.422 20 0 GBADLO Cc1ncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)c(C)n1 ZINC000970704527 1072388272 /nfs/dbraw/zinc/38/82/72/1072388272.db2.gz UGABENBNGFORMU-SMKXDYDZSA-N 1 2 384.440 -0.068 20 0 GBADLO CCCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)nn1 ZINC000970704537 1072388132 /nfs/dbraw/zinc/38/81/32/1072388132.db2.gz UMVHDBWNVUJTRL-JXFSHQFZSA-N 1 2 387.444 -0.473 20 0 GBADLO COc1cccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC000970704543 1072388117 /nfs/dbraw/zinc/38/81/17/1072388117.db2.gz UQHPUJPTWKDCAW-NCZKRNLISA-N 1 2 385.424 -0.071 20 0 GBADLO Cn1ccc(CCC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC000970704607 1072388246 /nfs/dbraw/zinc/38/82/46/1072388246.db2.gz VYLMJOWJEQDJFQ-ANQUJSFKSA-N 1 2 386.456 -0.422 20 0 GBADLO Cn1cc(Cl)c(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC000970704616 1072388617 /nfs/dbraw/zinc/38/86/17/1072388617.db2.gz WHPUEKCVOLGLBJ-FTUHBYGFSA-N 1 2 392.847 -0.088 20 0 GBADLO Cc1nn(C)c(F)c1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970704626 1072388233 /nfs/dbraw/zinc/38/82/33/1072388233.db2.gz WOUMWTQWCQEYMD-BYNQJWBRSA-N 1 2 390.419 -0.294 20 0 GBADLO COCc1nocc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970704650 1072388320 /nfs/dbraw/zinc/38/83/20/1072388320.db2.gz XPPGYAKSENIKBM-MSIPSHCFSA-N 1 2 389.412 -0.340 20 0 GBADLO CC(C)n1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)nn1 ZINC000970704657 1072388464 /nfs/dbraw/zinc/38/84/64/1072388464.db2.gz XZGIOZXBJPVGJQ-JXFSHQFZSA-N 1 2 387.444 -0.302 20 0 GBADLO COc1ncccc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970704680 1072388417 /nfs/dbraw/zinc/38/84/17/1072388417.db2.gz ZCAVPSZEROPHIX-KQTLUZQSSA-N 1 2 385.424 -0.071 20 0 GBADLO CCn1nnc(C)c1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970704689 1072388395 /nfs/dbraw/zinc/38/83/95/1072388395.db2.gz ZKGOYFOKWKOONW-BHPKHCPMSA-N 1 2 387.444 -0.555 20 0 GBADLO Cc1cc(OCC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)no1 ZINC000970706638 1072389314 /nfs/dbraw/zinc/38/93/14/1072389314.db2.gz JQJJCGXNAJMMSN-BHPKHCPMSA-N 1 2 389.412 -0.413 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@@H]1O ZINC000970706665 1072389073 /nfs/dbraw/zinc/38/90/73/1072389073.db2.gz KRONEIIIBOQJRL-BYNQJWBRSA-N 1 2 387.396 -0.783 20 0 GBADLO COc1cncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC000970706781 1072389292 /nfs/dbraw/zinc/38/92/92/1072389292.db2.gz NAMJNTOAMUNPTE-CVMIBZJCSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cncs2)C[C@@H]1O ZINC000970707519 1072390187 /nfs/dbraw/zinc/39/01/87/1072390187.db2.gz YVGQRHGKQNFXSL-BHPKHCPMSA-N 1 2 375.454 -0.089 20 0 GBADLO O=C(CN1CCCCCC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000970773421 1072408514 /nfs/dbraw/zinc/40/85/14/1072408514.db2.gz TXHGHKAPSOHTAP-XOUADPBQSA-N 1 2 389.456 -0.396 20 0 GBADLO O=C(CN1CCCCCC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000970773421 1072408509 /nfs/dbraw/zinc/40/85/09/1072408509.db2.gz TXHGHKAPSOHTAP-XOUADPBQSA-N 1 2 389.456 -0.396 20 0 GBADLO CCn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)cn1 ZINC000970802528 1072414201 /nfs/dbraw/zinc/41/42/01/1072414201.db2.gz JVCSRFCAAWTVBU-ANQUJSFKSA-N 1 2 386.456 -0.329 20 0 GBADLO COc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)c(C)nn1C ZINC000970806016 1072414702 /nfs/dbraw/zinc/41/47/02/1072414702.db2.gz YUBMUAYNOHFANX-OXHZDVMGSA-N 1 2 388.428 -0.435 20 0 GBADLO COc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)c(C)nn1C ZINC000970806016 1072414697 /nfs/dbraw/zinc/41/46/97/1072414697.db2.gz YUBMUAYNOHFANX-OXHZDVMGSA-N 1 2 388.428 -0.435 20 0 GBADLO CN(C)c1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)ccn1 ZINC000970808350 1072414810 /nfs/dbraw/zinc/41/48/10/1072414810.db2.gz GHPCWBHCZZPLNF-XOUADPBQSA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)ccn1 ZINC000970808350 1072414807 /nfs/dbraw/zinc/41/48/07/1072414807.db2.gz GHPCWBHCZZPLNF-XOUADPBQSA-N 1 2 384.440 -0.024 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](O)C1 ZINC000970849208 1072429663 /nfs/dbraw/zinc/42/96/63/1072429663.db2.gz XRJZXSNJZUJBDH-NPCUJANDSA-N 1 2 375.425 -0.112 20 0 GBADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2O)cn1 ZINC000970852195 1072432371 /nfs/dbraw/zinc/43/23/71/1072432371.db2.gz JVSHDRYYKLTHNJ-HZMVEIRTSA-N 1 2 386.456 -0.422 20 0 GBADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2O)cn1 ZINC000970852433 1072432675 /nfs/dbraw/zinc/43/26/75/1072432675.db2.gz NUGIBPSSBWMYTG-YJNKXOJESA-N 1 2 386.456 -0.088 20 0 GBADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2O)cn1 ZINC000970852643 1072431079 /nfs/dbraw/zinc/43/10/79/1072431079.db2.gz QGOFJDYEVKCYOJ-JJXSEGSLSA-N 1 2 386.456 -0.422 20 0 GBADLO Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)c(=O)[nH]1 ZINC000970939315 1072452544 /nfs/dbraw/zinc/45/25/44/1072452544.db2.gz MKLKATDHRMZMMI-KQTLUZQSSA-N 1 2 385.424 -0.066 20 0 GBADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@@H]1O ZINC000970958685 1072457661 /nfs/dbraw/zinc/45/76/61/1072457661.db2.gz WJGYBDGEFPXGMG-CBZIJGRNSA-N 1 2 385.424 -0.187 20 0 GBADLO COCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]21 ZINC000971061584 1072478371 /nfs/dbraw/zinc/47/83/71/1072478371.db2.gz TYUASFWXCBWLBM-VQHPVUNQSA-N 1 2 381.473 -0.428 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC000971487869 1072614567 /nfs/dbraw/zinc/61/45/67/1072614567.db2.gz UCZVDWGUBDIAAA-RGCMKSIDSA-N 1 2 380.470 -0.373 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4nc[nH]n4)[C@@H]3C2)O1 ZINC000971722301 1072194280 /nfs/dbraw/zinc/19/42/80/1072194280.db2.gz QPKHKGWGTOWNHK-KBUPBQIOSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4nc[nH]n4)[C@@H]3C2)O1 ZINC000971722301 1072194277 /nfs/dbraw/zinc/19/42/77/1072194277.db2.gz QPKHKGWGTOWNHK-KBUPBQIOSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4nnc[nH]4)[C@@H]3C2)O1 ZINC000971722301 1072194272 /nfs/dbraw/zinc/19/42/72/1072194272.db2.gz QPKHKGWGTOWNHK-KBUPBQIOSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4nnc[nH]4)[C@@H]3C2)O1 ZINC000971722301 1072194263 /nfs/dbraw/zinc/19/42/63/1072194263.db2.gz QPKHKGWGTOWNHK-KBUPBQIOSA-N 1 2 376.461 -0.484 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC000971865984 1072246887 /nfs/dbraw/zinc/24/68/87/1072246887.db2.gz NOEHMRCDIQHUNL-YFHUEUNASA-N 1 2 387.484 -0.085 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC000971880021 1072256792 /nfs/dbraw/zinc/25/67/92/1072256792.db2.gz OSQMOKBRIYKDOJ-RGCMKSIDSA-N 1 2 385.428 -0.420 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)O1 ZINC000971966437 1072285809 /nfs/dbraw/zinc/28/58/09/1072285809.db2.gz VDXXNRTWMHENIN-YIYPIFLZSA-N 1 2 375.429 -0.566 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC000972106178 1072319270 /nfs/dbraw/zinc/31/92/70/1072319270.db2.gz LBRTXIDLECRZCL-RGCMKSIDSA-N 1 2 385.424 -0.279 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC000972106178 1072319256 /nfs/dbraw/zinc/31/92/56/1072319256.db2.gz LBRTXIDLECRZCL-RGCMKSIDSA-N 1 2 385.424 -0.279 20 0 GBADLO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]21 ZINC000972257126 1072368661 /nfs/dbraw/zinc/36/86/61/1072368661.db2.gz MIILFIQYWNWGLV-MWQQHZPXSA-N 1 2 375.473 -0.030 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC000972329416 1072385060 /nfs/dbraw/zinc/38/50/60/1072385060.db2.gz NJTZVIGUSGBRLF-XKVFNRALSA-N 1 2 392.481 -0.373 20 0 GBADLO O=C(C1CS(=O)(=O)C1)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC000972330293 1072384826 /nfs/dbraw/zinc/38/48/26/1072384826.db2.gz XSELHKROEJTXNZ-BPGGGUHBSA-N 1 2 378.454 -0.383 20 0 GBADLO O=C(C1CS(=O)(=O)C1)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC000972330293 1072384818 /nfs/dbraw/zinc/38/48/18/1072384818.db2.gz XSELHKROEJTXNZ-BPGGGUHBSA-N 1 2 378.454 -0.383 20 0 GBADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@]2(C1)C[N@@H+](CCN1CCNC1=O)CCO2 ZINC000972475053 1072433194 /nfs/dbraw/zinc/43/31/94/1072433194.db2.gz LPAYGCAZXSHTMP-BGJDBYLFSA-N 1 2 390.484 -0.262 20 0 GBADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@]2(C1)C[N@H+](CCN1CCNC1=O)CCO2 ZINC000972475053 1072433191 /nfs/dbraw/zinc/43/31/91/1072433191.db2.gz LPAYGCAZXSHTMP-BGJDBYLFSA-N 1 2 390.484 -0.262 20 0 GBADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@]2(C1)C[N@@H+](CCN1CCNC1=O)CCO2 ZINC000972475054 1072433201 /nfs/dbraw/zinc/43/32/01/1072433201.db2.gz LPAYGCAZXSHTMP-LBAXQKCOSA-N 1 2 390.484 -0.262 20 0 GBADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@]2(C1)C[N@H+](CCN1CCNC1=O)CCO2 ZINC000972475054 1072433199 /nfs/dbraw/zinc/43/31/99/1072433199.db2.gz LPAYGCAZXSHTMP-LBAXQKCOSA-N 1 2 390.484 -0.262 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC000972544388 1072500182 /nfs/dbraw/zinc/50/01/82/1072500182.db2.gz LMJOPZOPSCQNLP-DMRZNYOFSA-N 1 2 385.468 -0.057 20 0 GBADLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@@]2(C1)C[N@@H+](CCN1CCNC1=O)CCO2 ZINC000972564424 1072516713 /nfs/dbraw/zinc/51/67/13/1072516713.db2.gz KJYGQGCXCIJGLC-JEWRLFTDSA-N 1 2 378.473 -0.118 20 0 GBADLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@@]2(C1)C[N@H+](CCN1CCNC1=O)CCO2 ZINC000972564424 1072516708 /nfs/dbraw/zinc/51/67/08/1072516708.db2.gz KJYGQGCXCIJGLC-JEWRLFTDSA-N 1 2 378.473 -0.118 20 0 GBADLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@]2(C1)C[N@@H+](CCN1CCNC1=O)CCO2 ZINC000972564425 1072516489 /nfs/dbraw/zinc/51/64/89/1072516489.db2.gz KJYGQGCXCIJGLC-OAFZBRQQSA-N 1 2 378.473 -0.118 20 0 GBADLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@]2(C1)C[N@H+](CCN1CCNC1=O)CCO2 ZINC000972564425 1072516476 /nfs/dbraw/zinc/51/64/76/1072516476.db2.gz KJYGQGCXCIJGLC-OAFZBRQQSA-N 1 2 378.473 -0.118 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)O1 ZINC000972739676 1072639675 /nfs/dbraw/zinc/63/96/75/1072639675.db2.gz VXTOWUFABGJWJE-REBRKWNGSA-N 1 2 375.429 -0.566 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)O1 ZINC000972739676 1072639671 /nfs/dbraw/zinc/63/96/71/1072639671.db2.gz VXTOWUFABGJWJE-REBRKWNGSA-N 1 2 375.429 -0.566 20 0 GBADLO O=C(CN1CCOCC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC000972746436 1072641696 /nfs/dbraw/zinc/64/16/96/1072641696.db2.gz ZVFGRGWUQXMMAK-IXYNUQLISA-N 1 2 387.440 -0.569 20 0 GBADLO O=C(CN1CCOCC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC000972746436 1072641688 /nfs/dbraw/zinc/64/16/88/1072641688.db2.gz ZVFGRGWUQXMMAK-IXYNUQLISA-N 1 2 387.440 -0.569 20 0 GBADLO Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)n(C)c1=O ZINC000972762721 1072643672 /nfs/dbraw/zinc/64/36/72/1072643672.db2.gz OJBZLBXVOZOFCP-RGCMKSIDSA-N 1 2 384.440 -0.077 20 0 GBADLO Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)n(C)c1=O ZINC000972762721 1072643664 /nfs/dbraw/zinc/64/36/64/1072643664.db2.gz OJBZLBXVOZOFCP-RGCMKSIDSA-N 1 2 384.440 -0.077 20 0 GBADLO Cn1cnc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)cc1=O ZINC000972839740 1072667101 /nfs/dbraw/zinc/66/71/01/1072667101.db2.gz SDFHWLPPNVHRGN-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1cnc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)cc1=O ZINC000972839740 1072667098 /nfs/dbraw/zinc/66/70/98/1072667098.db2.gz SDFHWLPPNVHRGN-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)ncc1=O ZINC000972850264 1072668467 /nfs/dbraw/zinc/66/84/67/1072668467.db2.gz FJUWJNYMAWNWMD-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)ncc1=O ZINC000972850264 1072668466 /nfs/dbraw/zinc/66/84/66/1072668466.db2.gz FJUWJNYMAWNWMD-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO O=C(CN1CCCNC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972850290 1072668656 /nfs/dbraw/zinc/66/86/56/1072668656.db2.gz GOWSMMKHWRHWCN-IXYNUQLISA-N 1 2 386.456 -0.012 20 0 GBADLO O=C(CN1CCCNC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972850290 1072668652 /nfs/dbraw/zinc/66/86/52/1072668652.db2.gz GOWSMMKHWRHWCN-IXYNUQLISA-N 1 2 386.456 -0.012 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC000972850350 1072668611 /nfs/dbraw/zinc/66/86/11/1072668611.db2.gz JNGIDWFKLYVMFS-BPGGGUHBSA-N 1 2 385.424 -0.375 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC000972850350 1072668606 /nfs/dbraw/zinc/66/86/06/1072668606.db2.gz JNGIDWFKLYVMFS-BPGGGUHBSA-N 1 2 385.424 -0.375 20 0 GBADLO Cn1nc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)ccc1=O ZINC000972850414 1072668575 /nfs/dbraw/zinc/66/85/75/1072668575.db2.gz MJZRXPXVAFDVGQ-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1nc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)ccc1=O ZINC000972850414 1072668571 /nfs/dbraw/zinc/66/85/71/1072668571.db2.gz MJZRXPXVAFDVGQ-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC000972850423 1072668403 /nfs/dbraw/zinc/66/84/03/1072668403.db2.gz MTMVXDAVABJZAQ-BPGGGUHBSA-N 1 2 378.454 -0.383 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC000972850423 1072668400 /nfs/dbraw/zinc/66/84/00/1072668400.db2.gz MTMVXDAVABJZAQ-BPGGGUHBSA-N 1 2 378.454 -0.383 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972850665 1072668446 /nfs/dbraw/zinc/66/84/46/1072668446.db2.gz VLPLPNQYIKORLJ-HKUMRIAESA-N 1 2 386.412 -0.876 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972850665 1072668444 /nfs/dbraw/zinc/66/84/44/1072668444.db2.gz VLPLPNQYIKORLJ-HKUMRIAESA-N 1 2 386.412 -0.876 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972850712 1072668369 /nfs/dbraw/zinc/66/83/69/1072668369.db2.gz WPXADBNPUODIDY-HKUMRIAESA-N 1 2 386.412 -0.876 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972850712 1072668366 /nfs/dbraw/zinc/66/83/66/1072668366.db2.gz WPXADBNPUODIDY-HKUMRIAESA-N 1 2 386.412 -0.876 20 0 GBADLO Cn1cnn(CC(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)c1=O ZINC000972850721 1072668319 /nfs/dbraw/zinc/66/83/19/1072668319.db2.gz WXTVNDAUZRHQDL-RGCMKSIDSA-N 1 2 385.428 -0.832 20 0 GBADLO Cn1cnn(CC(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)c1=O ZINC000972850721 1072668316 /nfs/dbraw/zinc/66/83/16/1072668316.db2.gz WXTVNDAUZRHQDL-RGCMKSIDSA-N 1 2 385.428 -0.832 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972850806 1072668706 /nfs/dbraw/zinc/66/87/06/1072668706.db2.gz ZPLQPXBOVDDFFN-RGCMKSIDSA-N 1 2 385.424 -0.279 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972850806 1072668703 /nfs/dbraw/zinc/66/87/03/1072668703.db2.gz ZPLQPXBOVDDFFN-RGCMKSIDSA-N 1 2 385.424 -0.279 20 0 GBADLO O=C(CN1CCOCC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972850909 1072668751 /nfs/dbraw/zinc/66/87/51/1072668751.db2.gz FYQDANYGQKQOBN-IXYNUQLISA-N 1 2 387.440 -0.569 20 0 GBADLO O=C(CN1CCOCC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972850909 1072668747 /nfs/dbraw/zinc/66/87/47/1072668747.db2.gz FYQDANYGQKQOBN-IXYNUQLISA-N 1 2 387.440 -0.569 20 0 GBADLO Cn1cnc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)cc1=O ZINC000972850933 1072669846 /nfs/dbraw/zinc/66/98/46/1072669846.db2.gz GXLLTJMOZAXQOY-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1cnc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)cc1=O ZINC000972850933 1072669844 /nfs/dbraw/zinc/66/98/44/1072669844.db2.gz GXLLTJMOZAXQOY-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972851559 1072669551 /nfs/dbraw/zinc/66/95/51/1072669551.db2.gz PQWVCOTUXJDERA-IXYNUQLISA-N 1 2 386.456 -0.996 20 0 GBADLO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972851559 1072669545 /nfs/dbraw/zinc/66/95/45/1072669545.db2.gz PQWVCOTUXJDERA-IXYNUQLISA-N 1 2 386.456 -0.996 20 0 GBADLO Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)n(C)c1=O ZINC000972851736 1072669389 /nfs/dbraw/zinc/66/93/89/1072669389.db2.gz TZSVEXMQAICPRO-RGCMKSIDSA-N 1 2 384.440 -0.077 20 0 GBADLO Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)n(C)c1=O ZINC000972851736 1072669383 /nfs/dbraw/zinc/66/93/83/1072669383.db2.gz TZSVEXMQAICPRO-RGCMKSIDSA-N 1 2 384.440 -0.077 20 0 GBADLO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC000972854804 1072669275 /nfs/dbraw/zinc/66/92/75/1072669275.db2.gz FJVSILMNCAAWTR-QBPKDAKJSA-N 1 2 375.473 -0.030 20 0 GBADLO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC000972855066 1072671184 /nfs/dbraw/zinc/67/11/84/1072671184.db2.gz KDPDLYKBSUBXTN-MWQQHZPXSA-N 1 2 375.473 -0.030 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]nn4)C[C@H]32)O1 ZINC000972855320 1072670771 /nfs/dbraw/zinc/67/07/71/1072670771.db2.gz PFBCQOVMWZEXQR-RRCSTGOVSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]nn4)C[C@H]32)O1 ZINC000972855320 1072670765 /nfs/dbraw/zinc/67/07/65/1072670765.db2.gz PFBCQOVMWZEXQR-RRCSTGOVSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4cn[nH]n4)C[C@H]32)O1 ZINC000972855320 1072670762 /nfs/dbraw/zinc/67/07/62/1072670762.db2.gz PFBCQOVMWZEXQR-RRCSTGOVSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4cn[nH]n4)C[C@H]32)O1 ZINC000972855320 1072670754 /nfs/dbraw/zinc/67/07/54/1072670754.db2.gz PFBCQOVMWZEXQR-RRCSTGOVSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4nc[nH]n4)C[C@H]32)O1 ZINC000972856779 1072671855 /nfs/dbraw/zinc/67/18/55/1072671855.db2.gz WTACCXNYQXIGET-KBUPBQIOSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4nc[nH]n4)C[C@H]32)O1 ZINC000972856779 1072671853 /nfs/dbraw/zinc/67/18/53/1072671853.db2.gz WTACCXNYQXIGET-KBUPBQIOSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4nnc[nH]4)C[C@H]32)O1 ZINC000972856779 1072671851 /nfs/dbraw/zinc/67/18/51/1072671851.db2.gz WTACCXNYQXIGET-KBUPBQIOSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4nnc[nH]4)C[C@H]32)O1 ZINC000972856779 1072671850 /nfs/dbraw/zinc/67/18/50/1072671850.db2.gz WTACCXNYQXIGET-KBUPBQIOSA-N 1 2 376.461 -0.484 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)O1 ZINC000972990402 1072944315 /nfs/dbraw/zinc/94/43/15/1072944315.db2.gz WMQZHYCFDOTNOA-LVQVYYBASA-N 1 2 389.456 -0.422 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)O1 ZINC000972992279 1072945935 /nfs/dbraw/zinc/94/59/35/1072945935.db2.gz JUYBPEKHXAEHRU-FPCVCCKLSA-N 1 2 389.456 -0.245 20 0 GBADLO Cn1cnn(CC(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)c1=O ZINC000973022382 1072962508 /nfs/dbraw/zinc/96/25/08/1072962508.db2.gz XTWDTOQQNJWJFK-RGCMKSIDSA-N 1 2 385.428 -0.832 20 0 GBADLO Cn1cnn(CC(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)c1=O ZINC000973022382 1072962501 /nfs/dbraw/zinc/96/25/01/1072962501.db2.gz XTWDTOQQNJWJFK-RGCMKSIDSA-N 1 2 385.428 -0.832 20 0 GBADLO O=C(N[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2COC3)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000973353035 1073046098 /nfs/dbraw/zinc/04/60/98/1073046098.db2.gz RLRGAOKSVZVHFU-SAKUIJKHSA-N 1 2 393.484 -0.334 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)O1 ZINC000973412722 1073049422 /nfs/dbraw/zinc/04/94/22/1073049422.db2.gz PKCKHMJNYCDUIJ-NQWMYEDTSA-N 1 2 389.456 -0.088 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)O1 ZINC000973412722 1073049415 /nfs/dbraw/zinc/04/94/15/1073049415.db2.gz PKCKHMJNYCDUIJ-NQWMYEDTSA-N 1 2 389.456 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000973549835 1073081708 /nfs/dbraw/zinc/08/17/08/1073081708.db2.gz VRRIXCSHOWKXNC-RJHCMKNPSA-N 1 2 375.429 -0.680 20 0 GBADLO O=C(N[C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000974208903 1073290344 /nfs/dbraw/zinc/29/03/44/1073290344.db2.gz RLRGAOKSVZVHFU-WUMBSXJCSA-N 1 2 393.484 -0.334 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)O1 ZINC000974270279 1073297411 /nfs/dbraw/zinc/29/74/11/1073297411.db2.gz PKCKHMJNYCDUIJ-CVZQHSHTSA-N 1 2 389.456 -0.088 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)O1 ZINC000974270279 1073297406 /nfs/dbraw/zinc/29/74/06/1073297406.db2.gz PKCKHMJNYCDUIJ-CVZQHSHTSA-N 1 2 389.456 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000974410420 1073333794 /nfs/dbraw/zinc/33/37/94/1073333794.db2.gz VRRIXCSHOWKXNC-CLMGUBIUSA-N 1 2 375.429 -0.680 20 0 GBADLO O=C(CN1CCCNC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC000974499029 1073349317 /nfs/dbraw/zinc/34/93/17/1073349317.db2.gz CAKIVMCOTKSXJX-IXYNUQLISA-N 1 2 386.456 -0.012 20 0 GBADLO O=C(CN1CCCNC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC000974499029 1073349311 /nfs/dbraw/zinc/34/93/11/1073349311.db2.gz CAKIVMCOTKSXJX-IXYNUQLISA-N 1 2 386.456 -0.012 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC000974524722 1073352056 /nfs/dbraw/zinc/35/20/56/1073352056.db2.gz DSIDPHZXFDRXHG-BPGGGUHBSA-N 1 2 385.424 -0.375 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC000974524722 1073352046 /nfs/dbraw/zinc/35/20/46/1073352046.db2.gz DSIDPHZXFDRXHG-BPGGGUHBSA-N 1 2 385.424 -0.375 20 0 GBADLO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]21 ZINC000974543787 1073354009 /nfs/dbraw/zinc/35/40/09/1073354009.db2.gz NYMRBZHPOOUPDV-QBPKDAKJSA-N 1 2 375.473 -0.030 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]21 ZINC000974578292 1073355460 /nfs/dbraw/zinc/35/54/60/1073355460.db2.gz YNZGFLJYQKQXKT-REBRKWNGSA-N 1 2 375.429 -0.945 20 0 GBADLO CC(C)(C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]21)c1c[nH+]c[nH]1 ZINC000974584675 1073356426 /nfs/dbraw/zinc/35/64/26/1073356426.db2.gz NHIFGFZLJRTVHD-YIYPIFLZSA-N 1 2 389.456 -0.221 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)O1 ZINC000974633022 1073358354 /nfs/dbraw/zinc/35/83/54/1073358354.db2.gz KQLGZZNRYPFNBX-APIJFGDWSA-N 1 2 375.429 -0.635 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)O1 ZINC000974655986 1073358369 /nfs/dbraw/zinc/35/83/69/1073358369.db2.gz NNVUHKQZEJUYII-MIGQKNRLSA-N 1 2 389.456 -0.175 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)O1 ZINC000974657261 1073358946 /nfs/dbraw/zinc/35/89/46/1073358946.db2.gz VUHFEVQMTCBNER-TUVASFSCSA-N 1 2 389.456 -0.175 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)O1 ZINC000974657300 1073358807 /nfs/dbraw/zinc/35/88/07/1073358807.db2.gz WHWPCCOXYYEQSZ-FPCVCCKLSA-N 1 2 389.456 -0.245 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]21 ZINC000974693917 1073360953 /nfs/dbraw/zinc/36/09/53/1073360953.db2.gz PPYSAFHXWVEORD-REBRKWNGSA-N 1 2 375.429 -0.647 20 0 GBADLO O=C(CN1CCNC(=O)C1)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC000974724084 1073362292 /nfs/dbraw/zinc/36/22/92/1073362292.db2.gz KYCVRPKKBJGHDZ-IXYNUQLISA-N 1 2 386.456 -0.996 20 0 GBADLO O=C(CN1CCNC(=O)C1)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC000974724084 1073362287 /nfs/dbraw/zinc/36/22/87/1073362287.db2.gz KYCVRPKKBJGHDZ-IXYNUQLISA-N 1 2 386.456 -0.996 20 0 GBADLO Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)ncc1=O ZINC000974749945 1073363893 /nfs/dbraw/zinc/36/38/93/1073363893.db2.gz WIRQUVAYQWFSIJ-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)ncc1=O ZINC000974749945 1073363881 /nfs/dbraw/zinc/36/38/81/1073363881.db2.gz WIRQUVAYQWFSIJ-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]21 ZINC000974765483 1073364851 /nfs/dbraw/zinc/36/48/51/1073364851.db2.gz OJYLVHJCWJHIEW-APIJFGDWSA-N 1 2 389.456 -0.555 20 0 GBADLO COCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000974765785 1073365199 /nfs/dbraw/zinc/36/51/99/1073365199.db2.gz VAMHSDXSZYJCOK-VQHPVUNQSA-N 1 2 381.473 -0.428 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]21 ZINC000974777612 1073365624 /nfs/dbraw/zinc/36/56/24/1073365624.db2.gz PVHHJZXIBHBMFP-DMRZNYOFSA-N 1 2 389.456 -0.555 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC000974790349 1073366530 /nfs/dbraw/zinc/36/65/30/1073366530.db2.gz MUKWSVARIDZKGG-HKUMRIAESA-N 1 2 386.412 -0.876 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC000974790349 1073366525 /nfs/dbraw/zinc/36/65/25/1073366525.db2.gz MUKWSVARIDZKGG-HKUMRIAESA-N 1 2 386.412 -0.876 20 0 GBADLO CC1(C)C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000974825657 1073367250 /nfs/dbraw/zinc/36/72/50/1073367250.db2.gz MGULBGGSPJQUBQ-KCBCERBOSA-N 1 2 390.484 -0.805 20 0 GBADLO CC1(C)C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000974825657 1073367243 /nfs/dbraw/zinc/36/72/43/1073367243.db2.gz MGULBGGSPJQUBQ-KCBCERBOSA-N 1 2 390.484 -0.805 20 0 GBADLO CC1(C)C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000974825658 1073367601 /nfs/dbraw/zinc/36/76/01/1073367601.db2.gz MGULBGGSPJQUBQ-SCQTYWGTSA-N 1 2 390.484 -0.805 20 0 GBADLO CC1(C)C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000974825658 1073367589 /nfs/dbraw/zinc/36/75/89/1073367589.db2.gz MGULBGGSPJQUBQ-SCQTYWGTSA-N 1 2 390.484 -0.805 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC000974907442 1073369361 /nfs/dbraw/zinc/36/93/61/1073369361.db2.gz LLASAODJBZSFOY-IXYNUQLISA-N 1 2 384.444 -0.340 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)O1 ZINC000974916809 1073370412 /nfs/dbraw/zinc/37/04/12/1073370412.db2.gz IRFMVHWUEFKCFI-TUVASFSCSA-N 1 2 389.456 -0.175 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)O1 ZINC000974924032 1073370289 /nfs/dbraw/zinc/37/02/89/1073370289.db2.gz VSCJOWDQOUMIEI-APIJFGDWSA-N 1 2 389.456 -0.353 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC000974936010 1073370168 /nfs/dbraw/zinc/37/01/68/1073370168.db2.gz YWVZLXQMKGUYNM-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO CC1(C)C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000975065432 1073372445 /nfs/dbraw/zinc/37/24/45/1073372445.db2.gz REAUYJHETKVKBT-APIJFGDWSA-N 1 2 378.473 -0.661 20 0 GBADLO CC1(C)C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000975065432 1073372431 /nfs/dbraw/zinc/37/24/31/1073372431.db2.gz REAUYJHETKVKBT-APIJFGDWSA-N 1 2 378.473 -0.661 20 0 GBADLO CC1(C)C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000975065439 1073372976 /nfs/dbraw/zinc/37/29/76/1073372976.db2.gz REAUYJHETKVKBT-KBXIAJHMSA-N 1 2 378.473 -0.661 20 0 GBADLO CC1(C)C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000975065439 1073372967 /nfs/dbraw/zinc/37/29/67/1073372967.db2.gz REAUYJHETKVKBT-KBXIAJHMSA-N 1 2 378.473 -0.661 20 0 GBADLO CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1)c1c[nH+]c[nH]1 ZINC000975184529 1073377135 /nfs/dbraw/zinc/37/71/35/1073377135.db2.gz COPGVINLDQKCOL-YIYPIFLZSA-N 1 2 389.456 -0.221 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)O1 ZINC000975186234 1073377592 /nfs/dbraw/zinc/37/75/92/1073377592.db2.gz LZCPLPWBMHSSBR-YIYPIFLZSA-N 1 2 375.429 -0.566 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)O1 ZINC000975186255 1073377888 /nfs/dbraw/zinc/37/78/88/1073377888.db2.gz NCERCHIDLKVUAD-LVQVYYBASA-N 1 2 389.456 -0.422 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)O1 ZINC000975188568 1073375654 /nfs/dbraw/zinc/37/56/54/1073375654.db2.gz FPUOKKZPFCFARE-DMRZNYOFSA-N 1 2 389.456 -0.353 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC000975189008 1073375558 /nfs/dbraw/zinc/37/55/58/1073375558.db2.gz IDZVJJMYUARUTG-DMRZNYOFSA-N 1 2 389.456 -0.555 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC000975189318 1073375986 /nfs/dbraw/zinc/37/59/86/1073375986.db2.gz IQHTVFSAISEWHJ-REBRKWNGSA-N 1 2 375.429 -0.945 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]32)O1 ZINC000975189627 1073375847 /nfs/dbraw/zinc/37/58/47/1073375847.db2.gz JGTCRIKQTQUQOD-APIJFGDWSA-N 1 2 375.429 -0.635 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC000975193530 1073376377 /nfs/dbraw/zinc/37/63/77/1073376377.db2.gz UVUSCBDPTHQVBT-APIJFGDWSA-N 1 2 389.456 -0.555 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)O1 ZINC000975193622 1073376515 /nfs/dbraw/zinc/37/65/15/1073376515.db2.gz VTUZIJATCXDETA-APIJFGDWSA-N 1 2 389.456 -0.353 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC000975193898 1073377321 /nfs/dbraw/zinc/37/73/21/1073377321.db2.gz YLZBDOOYMOULOZ-REBRKWNGSA-N 1 2 375.429 -0.647 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)O1 ZINC000975193916 1073376889 /nfs/dbraw/zinc/37/68/89/1073376889.db2.gz ZIGKUHYCPDCDKK-REBRKWNGSA-N 1 2 375.429 -0.566 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)O1 ZINC000975193916 1073376878 /nfs/dbraw/zinc/37/68/78/1073376878.db2.gz ZIGKUHYCPDCDKK-REBRKWNGSA-N 1 2 375.429 -0.566 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000975213928 1073379188 /nfs/dbraw/zinc/37/91/88/1073379188.db2.gz LHNWYTUANMTVJE-DMRZNYOFSA-N 1 2 385.468 -0.057 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CS(C)(=O)=O)C[C@H]21 ZINC000975242885 1073382383 /nfs/dbraw/zinc/38/23/83/1073382383.db2.gz ALWUMUVTTBLQGO-RGCMKSIDSA-N 1 2 380.470 -0.373 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 ZINC000975258904 1073381459 /nfs/dbraw/zinc/38/14/59/1073381459.db2.gz IQXLDLOXJIVGIF-IXYNUQLISA-N 1 2 384.444 -0.340 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]nn4)[C@@H]3C2)O1 ZINC000975259342 1073381367 /nfs/dbraw/zinc/38/13/67/1073381367.db2.gz UVGIGBMZHCGZMJ-RRCSTGOVSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]nn4)[C@@H]3C2)O1 ZINC000975259342 1073381358 /nfs/dbraw/zinc/38/13/58/1073381358.db2.gz UVGIGBMZHCGZMJ-RRCSTGOVSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4cn[nH]n4)[C@@H]3C2)O1 ZINC000975259342 1073381352 /nfs/dbraw/zinc/38/13/52/1073381352.db2.gz UVGIGBMZHCGZMJ-RRCSTGOVSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4cn[nH]n4)[C@@H]3C2)O1 ZINC000975259342 1073381347 /nfs/dbraw/zinc/38/13/47/1073381347.db2.gz UVGIGBMZHCGZMJ-RRCSTGOVSA-N 1 2 376.461 -0.484 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC000975260179 1073382360 /nfs/dbraw/zinc/38/23/60/1073382360.db2.gz MCRJCEUEDQPOKK-RGCMKSIDSA-N 1 2 385.428 -0.420 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 ZINC000975260202 1073382179 /nfs/dbraw/zinc/38/21/79/1073382179.db2.gz MFHSNHCWYQFPKG-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC000975260360 1073381984 /nfs/dbraw/zinc/38/19/84/1073381984.db2.gz MTJNKVDQIIDIJR-YFHUEUNASA-N 1 2 387.484 -0.085 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC000975261799 1073382240 /nfs/dbraw/zinc/38/22/40/1073382240.db2.gz QFKWLDSEKGCTIK-XKVFNRALSA-N 1 2 392.481 -0.373 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC000975285753 1073382047 /nfs/dbraw/zinc/38/20/47/1073382047.db2.gz AJYXGVJIGWYPKJ-HKUMRIAESA-N 1 2 386.412 -0.876 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC000975285753 1073382043 /nfs/dbraw/zinc/38/20/43/1073382043.db2.gz AJYXGVJIGWYPKJ-HKUMRIAESA-N 1 2 386.412 -0.876 20 0 GBADLO Cn1nc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)ccc1=O ZINC000975293904 1073382947 /nfs/dbraw/zinc/38/29/47/1073382947.db2.gz PJINZIVSEMTJTN-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1nc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)ccc1=O ZINC000975293904 1073382941 /nfs/dbraw/zinc/38/29/41/1073382941.db2.gz PJINZIVSEMTJTN-BRXULGCHSA-N 1 2 382.424 -0.020 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)O1 ZINC000975416578 1073385705 /nfs/dbraw/zinc/38/57/05/1073385705.db2.gz HSSNQGKBYCYIGI-MIGQKNRLSA-N 1 2 389.456 -0.175 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)O1 ZINC000975427780 1073386298 /nfs/dbraw/zinc/38/62/98/1073386298.db2.gz ULKMVERUJBYRER-DMRZNYOFSA-N 1 2 389.456 -0.353 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC000975554316 1073387690 /nfs/dbraw/zinc/38/76/90/1073387690.db2.gz GCAQAYPYHHLNRJ-NHIYQJMISA-N 1 2 384.444 -0.340 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4nc[nH]n4)C[C@@H]32)O1 ZINC000975638798 1073391319 /nfs/dbraw/zinc/39/13/19/1073391319.db2.gz UDACZFMIJVXGGB-FXUDXRNXSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4nc[nH]n4)C[C@@H]32)O1 ZINC000975638798 1073391314 /nfs/dbraw/zinc/39/13/14/1073391314.db2.gz UDACZFMIJVXGGB-FXUDXRNXSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4nnc[nH]4)C[C@@H]32)O1 ZINC000975638798 1073391306 /nfs/dbraw/zinc/39/13/06/1073391306.db2.gz UDACZFMIJVXGGB-FXUDXRNXSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4nnc[nH]4)C[C@@H]32)O1 ZINC000975638798 1073391299 /nfs/dbraw/zinc/39/12/99/1073391299.db2.gz UDACZFMIJVXGGB-FXUDXRNXSA-N 1 2 390.488 -0.094 20 0 GBADLO O=C(CN1CN=NC1=O)N1CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@H]2C1 ZINC000975670329 1073392065 /nfs/dbraw/zinc/39/20/65/1073392065.db2.gz GZKMWPNSOOBQLC-JLNYLFASSA-N 1 2 385.428 -0.040 20 0 GBADLO O=C(CN1CN=NC1=O)N1CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@H]2C1 ZINC000975670329 1073392060 /nfs/dbraw/zinc/39/20/60/1073392060.db2.gz GZKMWPNSOOBQLC-JLNYLFASSA-N 1 2 385.428 -0.040 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]32)O1 ZINC000975683428 1073393906 /nfs/dbraw/zinc/39/39/06/1073393906.db2.gz KVILSZWBVWLBIE-ZQDZILKHSA-N 1 2 389.456 -0.175 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC000975722715 1073394699 /nfs/dbraw/zinc/39/46/99/1073394699.db2.gz BEZZGZBKSIUYJH-NHIYQJMISA-N 1 2 384.444 -0.340 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]32)O1 ZINC000975768104 1073397113 /nfs/dbraw/zinc/39/71/13/1073397113.db2.gz OLXQQIHMLBZHIM-QCEMKRCNSA-N 1 2 389.456 -0.175 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]32)O1 ZINC000975768104 1073397100 /nfs/dbraw/zinc/39/71/00/1073397100.db2.gz OLXQQIHMLBZHIM-QCEMKRCNSA-N 1 2 389.456 -0.175 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4nc[nH]n4)[C@H]3C2)O1 ZINC000975778792 1073398611 /nfs/dbraw/zinc/39/86/11/1073398611.db2.gz ARXMZXBSOPHRJP-FXUDXRNXSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4nc[nH]n4)[C@H]3C2)O1 ZINC000975778792 1073398597 /nfs/dbraw/zinc/39/85/97/1073398597.db2.gz ARXMZXBSOPHRJP-FXUDXRNXSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4nnc[nH]4)[C@H]3C2)O1 ZINC000975778792 1073398582 /nfs/dbraw/zinc/39/85/82/1073398582.db2.gz ARXMZXBSOPHRJP-FXUDXRNXSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4nnc[nH]4)[C@H]3C2)O1 ZINC000975778792 1073398567 /nfs/dbraw/zinc/39/85/67/1073398567.db2.gz ARXMZXBSOPHRJP-FXUDXRNXSA-N 1 2 390.488 -0.094 20 0 GBADLO Cc1nn[nH]c1C(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC000975779841 1073398432 /nfs/dbraw/zinc/39/84/32/1073398432.db2.gz NPXZXRSSHIDVSZ-UQOMUDLDSA-N 1 2 376.461 -0.105 20 0 GBADLO Cc1nn[nH]c1C(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC000975779841 1073398421 /nfs/dbraw/zinc/39/84/21/1073398421.db2.gz NPXZXRSSHIDVSZ-UQOMUDLDSA-N 1 2 376.461 -0.105 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4c[nH]nn4)[C@H]3C2)O1 ZINC000975780145 1073398306 /nfs/dbraw/zinc/39/83/06/1073398306.db2.gz RMLOINOZDOHGJY-YQFWSFKMSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4c[nH]nn4)[C@H]3C2)O1 ZINC000975780145 1073398293 /nfs/dbraw/zinc/39/82/93/1073398293.db2.gz RMLOINOZDOHGJY-YQFWSFKMSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4cn[nH]n4)[C@H]3C2)O1 ZINC000975780145 1073398284 /nfs/dbraw/zinc/39/82/84/1073398284.db2.gz RMLOINOZDOHGJY-YQFWSFKMSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4cn[nH]n4)[C@H]3C2)O1 ZINC000975780145 1073398272 /nfs/dbraw/zinc/39/82/72/1073398272.db2.gz RMLOINOZDOHGJY-YQFWSFKMSA-N 1 2 390.488 -0.094 20 0 GBADLO O=C(CN1CN=NC1=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC000975780692 1073400928 /nfs/dbraw/zinc/40/09/28/1073400928.db2.gz DEVXYPATIKCFPI-JLNYLFASSA-N 1 2 385.428 -0.040 20 0 GBADLO O=C(CN1CN=NC1=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC000975780692 1073400922 /nfs/dbraw/zinc/40/09/22/1073400922.db2.gz DEVXYPATIKCFPI-JLNYLFASSA-N 1 2 385.428 -0.040 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)O1 ZINC000975786063 1073401064 /nfs/dbraw/zinc/40/10/64/1073401064.db2.gz ULUYLNHXPDOEHR-ZQDZILKHSA-N 1 2 375.429 -0.635 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC000975820305 1073404421 /nfs/dbraw/zinc/40/44/21/1073404421.db2.gz WDTWEYXTCSCRTQ-QCEMKRCNSA-N 1 2 389.456 -0.555 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@@H]32)O1 ZINC000975825632 1073404068 /nfs/dbraw/zinc/40/40/68/1073404068.db2.gz AAFSZNGQTIOKGL-YHUYYLMFSA-N 1 2 389.456 -0.245 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC000975839866 1073404992 /nfs/dbraw/zinc/40/49/92/1073404992.db2.gz DOGVJRMNFOCGHK-QCEMKRCNSA-N 1 2 389.456 -0.257 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC000975887308 1073407028 /nfs/dbraw/zinc/40/70/28/1073407028.db2.gz WUUOXXJEZAXBAA-JLNYLFASSA-N 1 2 384.444 -0.190 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)O1 ZINC000975927711 1073407845 /nfs/dbraw/zinc/40/78/45/1073407845.db2.gz VICRYKXJHZDOFE-XDQVBPFNSA-N 1 2 375.429 -0.566 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)O1 ZINC000976020377 1073411428 /nfs/dbraw/zinc/41/14/28/1073411428.db2.gz AHASDYHXGZTACZ-YHUYYLMFSA-N 1 2 389.456 -0.245 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 ZINC000976020728 1073411364 /nfs/dbraw/zinc/41/13/64/1073411364.db2.gz JOURSWAZBAFHHK-QCEMKRCNSA-N 1 2 389.456 -0.555 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)O1 ZINC000976021069 1073411653 /nfs/dbraw/zinc/41/16/53/1073411653.db2.gz CUKSHCMQOQQTOB-ZQDZILKHSA-N 1 2 375.429 -0.635 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 ZINC000976021402 1073411529 /nfs/dbraw/zinc/41/15/29/1073411529.db2.gz LXSBXYPSTYMPHR-QCEMKRCNSA-N 1 2 389.456 -0.257 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@H]3C2)O1 ZINC000976021458 1073411191 /nfs/dbraw/zinc/41/11/91/1073411191.db2.gz NFMXWJRRSGUGNF-ZQDZILKHSA-N 1 2 389.456 -0.175 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@H]3C2)O1 ZINC000976022097 1073410718 /nfs/dbraw/zinc/41/07/18/1073410718.db2.gz VBJKHGLVXSCANT-XDQVBPFNSA-N 1 2 375.429 -0.566 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)O1 ZINC000976022501 1073410486 /nfs/dbraw/zinc/41/04/86/1073410486.db2.gz VQGDCVINFUAWNL-CYUUQNCZSA-N 1 2 375.429 -0.566 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@H]3C2)O1 ZINC000976023642 1073415161 /nfs/dbraw/zinc/41/51/61/1073415161.db2.gz MXOPPQXXXALZAI-QCEMKRCNSA-N 1 2 389.456 -0.175 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@H]3C2)O1 ZINC000976023642 1073415152 /nfs/dbraw/zinc/41/51/52/1073415152.db2.gz MXOPPQXXXALZAI-QCEMKRCNSA-N 1 2 389.456 -0.175 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC000976036588 1073414295 /nfs/dbraw/zinc/41/42/95/1073414295.db2.gz RGQOVLPBBCRTBG-JLNYLFASSA-N 1 2 384.444 -0.190 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4c[nH]nn4)C[C@@H]32)O1 ZINC000976039717 1073416350 /nfs/dbraw/zinc/41/63/50/1073416350.db2.gz JJPITIOBNMOHTI-YQFWSFKMSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4c[nH]nn4)C[C@@H]32)O1 ZINC000976039717 1073416345 /nfs/dbraw/zinc/41/63/45/1073416345.db2.gz JJPITIOBNMOHTI-YQFWSFKMSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4cn[nH]n4)C[C@@H]32)O1 ZINC000976039717 1073416341 /nfs/dbraw/zinc/41/63/41/1073416341.db2.gz JJPITIOBNMOHTI-YQFWSFKMSA-N 1 2 390.488 -0.094 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4cn[nH]n4)C[C@@H]32)O1 ZINC000976039717 1073416338 /nfs/dbraw/zinc/41/63/38/1073416338.db2.gz JJPITIOBNMOHTI-YQFWSFKMSA-N 1 2 390.488 -0.094 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)Cn3ncnn3)[C@H]2C1 ZINC000976041117 1073415297 /nfs/dbraw/zinc/41/52/97/1073415297.db2.gz QDRUVLKTFXDBEI-NHIYQJMISA-N 1 2 384.444 -0.340 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC000976041442 1073415215 /nfs/dbraw/zinc/41/52/15/1073415215.db2.gz UTWPDCFQAVDUDS-NHIYQJMISA-N 1 2 384.444 -0.340 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)O1 ZINC000976110827 1073418474 /nfs/dbraw/zinc/41/84/74/1073418474.db2.gz QWOFPIOOFYOBJK-CYUUQNCZSA-N 1 2 375.429 -0.566 20 0 GBADLO Cc1nc(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n[nH]1 ZINC000976647457 1073438243 /nfs/dbraw/zinc/43/82/43/1073438243.db2.gz FRUIDTIPIDTTPI-NMFUWQPSSA-N 1 2 378.477 -0.082 20 0 GBADLO Cc1nc(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n[nH]1 ZINC000976647457 1073438239 /nfs/dbraw/zinc/43/82/39/1073438239.db2.gz FRUIDTIPIDTTPI-NMFUWQPSSA-N 1 2 378.477 -0.082 20 0 GBADLO O=C(CN1CCOCC1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000976849635 1073448953 /nfs/dbraw/zinc/44/89/53/1073448953.db2.gz LSLLFJFHDFGIJI-KBUPBQIOSA-N 1 2 389.456 -0.084 20 0 GBADLO O=C(CN1CCOCC1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000976849635 1073448949 /nfs/dbraw/zinc/44/89/49/1073448949.db2.gz LSLLFJFHDFGIJI-KBUPBQIOSA-N 1 2 389.456 -0.084 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000976887954 1073451320 /nfs/dbraw/zinc/45/13/20/1073451320.db2.gz FXNGBBASOQCWHW-FDYHWXHSSA-N 1 2 388.428 -0.391 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000976887954 1073451311 /nfs/dbraw/zinc/45/13/11/1073451311.db2.gz FXNGBBASOQCWHW-FDYHWXHSSA-N 1 2 388.428 -0.391 20 0 GBADLO O=C(CN1CCNC(=O)C1)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000976888035 1073451013 /nfs/dbraw/zinc/45/10/13/1073451013.db2.gz ITRCMHWHQNZMOP-KBUPBQIOSA-N 1 2 388.472 -0.511 20 0 GBADLO O=C(CN1CCNC(=O)C1)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000976888035 1073451007 /nfs/dbraw/zinc/45/10/07/1073451007.db2.gz ITRCMHWHQNZMOP-KBUPBQIOSA-N 1 2 388.472 -0.511 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000976888609 1073452463 /nfs/dbraw/zinc/45/24/63/1073452463.db2.gz KZVBJOHHBFVDTO-FDYHWXHSSA-N 1 2 388.428 -0.391 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000976888609 1073452458 /nfs/dbraw/zinc/45/24/58/1073452458.db2.gz KZVBJOHHBFVDTO-FDYHWXHSSA-N 1 2 388.428 -0.391 20 0 GBADLO Cn1cnn(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1=O ZINC000976888944 1073452076 /nfs/dbraw/zinc/45/20/76/1073452076.db2.gz YIXKPXJQNGMYMT-AAVRWANBSA-N 1 2 387.444 -0.348 20 0 GBADLO Cn1cnn(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1=O ZINC000976888944 1073452068 /nfs/dbraw/zinc/45/20/68/1073452068.db2.gz YIXKPXJQNGMYMT-AAVRWANBSA-N 1 2 387.444 -0.348 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000976986428 1073458749 /nfs/dbraw/zinc/45/87/49/1073458749.db2.gz PVQXLWQHTZLKLJ-APIJFGDWSA-N 1 2 377.445 -0.461 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000977033526 1073464337 /nfs/dbraw/zinc/46/43/37/1073464337.db2.gz CIGLEVOJWDLMPB-RJZRQDKASA-N 1 2 377.445 -0.163 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000977192559 1073474380 /nfs/dbraw/zinc/47/43/80/1073474380.db2.gz XMLFBAULTYIJTB-OPCSVWSUSA-N 1 2 387.440 -0.871 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21 ZINC000977199977 1073475835 /nfs/dbraw/zinc/47/58/35/1073475835.db2.gz VSGXVDQPNWTYKI-MRIZRFMCSA-N 1 2 385.468 -0.179 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000977201563 1073476479 /nfs/dbraw/zinc/47/64/79/1073476479.db2.gz PAZHBGXTTIMZGY-MRIZRFMCSA-N 1 2 385.468 -0.002 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]21 ZINC000977215851 1073478103 /nfs/dbraw/zinc/47/81/03/1073478103.db2.gz SIUYJVSLIRRPSY-MRIZRFMCSA-N 1 2 385.468 -0.002 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]21 ZINC000977216243 1073477871 /nfs/dbraw/zinc/47/78/71/1073477871.db2.gz YUWZHUGNAZUXNO-OPCSVWSUSA-N 1 2 387.440 -0.871 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000977216292 1073478078 /nfs/dbraw/zinc/47/80/78/1073478078.db2.gz ZPYUFGDYDXYRQB-CWFWSFGMSA-N 1 2 385.468 -0.179 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)O1 ZINC000978960100 1073537339 /nfs/dbraw/zinc/53/73/39/1073537339.db2.gz MTVHTKFKDNGYOY-CLMGUBIUSA-N 1 2 375.429 -0.443 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)O1 ZINC000978960100 1073537328 /nfs/dbraw/zinc/53/73/28/1073537328.db2.gz MTVHTKFKDNGYOY-CLMGUBIUSA-N 1 2 375.429 -0.443 20 0 GBADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)O1 ZINC000978962387 1073537220 /nfs/dbraw/zinc/53/72/20/1073537220.db2.gz GLEFKAUNALOPAE-NWHWRWDZSA-N 1 2 382.505 -0.564 20 0 GBADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)O1 ZINC000978962387 1073537212 /nfs/dbraw/zinc/53/72/12/1073537212.db2.gz GLEFKAUNALOPAE-NWHWRWDZSA-N 1 2 382.505 -0.564 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)O1 ZINC000979307926 1073548677 /nfs/dbraw/zinc/54/86/77/1073548677.db2.gz GMIAMZYDSZEZQV-CLMGUBIUSA-N 1 2 375.429 -0.443 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)O1 ZINC000979307926 1073548662 /nfs/dbraw/zinc/54/86/62/1073548662.db2.gz GMIAMZYDSZEZQV-CLMGUBIUSA-N 1 2 375.429 -0.443 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000979314353 1073547998 /nfs/dbraw/zinc/54/79/98/1073547998.db2.gz XIMRVZRWUSJQHE-YGNQVGSDSA-N 1 2 389.456 -0.433 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000979319297 1073549504 /nfs/dbraw/zinc/54/95/04/1073549504.db2.gz KEIJANBDJBAEDL-YGNQVGSDSA-N 1 2 389.456 -0.433 20 0 GBADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)O1 ZINC000979977011 1073566924 /nfs/dbraw/zinc/56/69/24/1073566924.db2.gz GLEFKAUNALOPAE-HDKMNVHJSA-N 1 2 382.505 -0.564 20 0 GBADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)O1 ZINC000979977011 1073566917 /nfs/dbraw/zinc/56/69/17/1073566917.db2.gz GLEFKAUNALOPAE-HDKMNVHJSA-N 1 2 382.505 -0.564 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)O1 ZINC000979985756 1073566507 /nfs/dbraw/zinc/56/65/07/1073566507.db2.gz MTVHTKFKDNGYOY-RJHCMKNPSA-N 1 2 375.429 -0.443 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)O1 ZINC000979985756 1073566493 /nfs/dbraw/zinc/56/64/93/1073566493.db2.gz MTVHTKFKDNGYOY-RJHCMKNPSA-N 1 2 375.429 -0.443 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)O1 ZINC000980535883 1073590653 /nfs/dbraw/zinc/59/06/53/1073590653.db2.gz GMIAMZYDSZEZQV-RJHCMKNPSA-N 1 2 375.429 -0.443 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)O1 ZINC000980535883 1073590638 /nfs/dbraw/zinc/59/06/38/1073590638.db2.gz GMIAMZYDSZEZQV-RJHCMKNPSA-N 1 2 375.429 -0.443 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000980542618 1073590742 /nfs/dbraw/zinc/59/07/42/1073590742.db2.gz XIMRVZRWUSJQHE-FOQYWMHZSA-N 1 2 389.456 -0.433 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000980576347 1073591236 /nfs/dbraw/zinc/59/12/36/1073591236.db2.gz KEIJANBDJBAEDL-FOQYWMHZSA-N 1 2 389.456 -0.433 20 0 GBADLO O=C(N[C@@H]1CC[C@H](CNC(=O)C2CS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000981415975 1073629693 /nfs/dbraw/zinc/62/96/93/1073629693.db2.gz KQUSXBYFABBROP-IGHBBLSQSA-N 1 2 380.470 -0.041 20 0 GBADLO O=C(N[C@@H]1CC[C@H](CNC(=O)C2CS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000981415975 1073629689 /nfs/dbraw/zinc/62/96/89/1073629689.db2.gz KQUSXBYFABBROP-IGHBBLSQSA-N 1 2 380.470 -0.041 20 0 GBADLO Cn1cnn(CC(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1=O ZINC000981632861 1073641355 /nfs/dbraw/zinc/64/13/55/1073641355.db2.gz DHIKQIPGCLWJCH-REWJHTLYSA-N 1 2 387.444 -0.490 20 0 GBADLO Cn1cnn(CC(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1=O ZINC000981632861 1073641352 /nfs/dbraw/zinc/64/13/52/1073641352.db2.gz DHIKQIPGCLWJCH-REWJHTLYSA-N 1 2 387.444 -0.490 20 0 GBADLO O=C(NC[C@H]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000981633124 1073641169 /nfs/dbraw/zinc/64/11/69/1073641169.db2.gz AVISQBZSNRJHHJ-IGHBBLSQSA-N 1 2 387.440 -0.033 20 0 GBADLO O=C(NC[C@H]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000981633124 1073641166 /nfs/dbraw/zinc/64/11/66/1073641166.db2.gz AVISQBZSNRJHHJ-IGHBBLSQSA-N 1 2 387.440 -0.033 20 0 GBADLO O=C(CN1CCOCC1=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000981633304 1073641218 /nfs/dbraw/zinc/64/12/18/1073641218.db2.gz MTCOCEFJCRIWEZ-GBJTYRQASA-N 1 2 389.456 -0.227 20 0 GBADLO O=C(CN1CCOCC1=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000981633304 1073641217 /nfs/dbraw/zinc/64/12/17/1073641217.db2.gz MTCOCEFJCRIWEZ-GBJTYRQASA-N 1 2 389.456 -0.227 20 0 GBADLO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000981633492 1073641058 /nfs/dbraw/zinc/64/10/58/1073641058.db2.gz RNCKATCAQVKXMF-GBJTYRQASA-N 1 2 388.472 -0.654 20 0 GBADLO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000981633492 1073641054 /nfs/dbraw/zinc/64/10/54/1073641054.db2.gz RNCKATCAQVKXMF-GBJTYRQASA-N 1 2 388.472 -0.654 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000981633520 1073641128 /nfs/dbraw/zinc/64/11/28/1073641128.db2.gz TURBWGYMIMOHJF-UMSGYPCISA-N 1 2 388.428 -0.534 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000981633520 1073641126 /nfs/dbraw/zinc/64/11/26/1073641126.db2.gz TURBWGYMIMOHJF-UMSGYPCISA-N 1 2 388.428 -0.534 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000981633996 1073641080 /nfs/dbraw/zinc/64/10/80/1073641080.db2.gz QNGGGLVFYQRJIW-UMSGYPCISA-N 1 2 388.428 -0.534 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000981633996 1073641076 /nfs/dbraw/zinc/64/10/76/1073641076.db2.gz QNGGGLVFYQRJIW-UMSGYPCISA-N 1 2 388.428 -0.534 20 0 GBADLO O=C(NC[C@H]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000981634061 1073641203 /nfs/dbraw/zinc/64/12/03/1073641203.db2.gz UQSUVBIUMOJXEU-IGHBBLSQSA-N 1 2 380.470 -0.041 20 0 GBADLO O=C(NC[C@H]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000981634061 1073641199 /nfs/dbraw/zinc/64/11/99/1073641199.db2.gz UQSUVBIUMOJXEU-IGHBBLSQSA-N 1 2 380.470 -0.041 20 0 GBADLO Cc1nc(CC(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n[nH]1 ZINC000981641580 1073642305 /nfs/dbraw/zinc/64/23/05/1073642305.db2.gz MXIUSVGTLYPOGK-FAAHXZRKSA-N 1 2 378.477 -0.224 20 0 GBADLO Cc1nc(CC(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n[nH]1 ZINC000981641580 1073642302 /nfs/dbraw/zinc/64/23/02/1073642302.db2.gz MXIUSVGTLYPOGK-FAAHXZRKSA-N 1 2 378.477 -0.224 20 0 GBADLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)N1CCOCC1 ZINC000981670666 1073643249 /nfs/dbraw/zinc/64/32/49/1073643249.db2.gz JVROKDHVGMJIGE-XYJFISCASA-N 1 2 381.473 -0.569 20 0 GBADLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)N1CCOCC1 ZINC000981670666 1073643242 /nfs/dbraw/zinc/64/32/42/1073643242.db2.gz JVROKDHVGMJIGE-XYJFISCASA-N 1 2 381.473 -0.569 20 0 GBADLO O=C(N[C@@H]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000981743750 1073646695 /nfs/dbraw/zinc/64/66/95/1073646695.db2.gz RGTQYWJVJLCGAK-IGHBBLSQSA-N 1 2 387.440 -0.033 20 0 GBADLO O=C(N[C@@H]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000981743750 1073646689 /nfs/dbraw/zinc/64/66/89/1073646689.db2.gz RGTQYWJVJLCGAK-IGHBBLSQSA-N 1 2 387.440 -0.033 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC000982135511 1073687695 /nfs/dbraw/zinc/68/76/95/1073687695.db2.gz CEVYSJVJVKHFPX-XNISGKROSA-N 1 2 391.472 -0.011 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC000982135570 1073687485 /nfs/dbraw/zinc/68/74/85/1073687485.db2.gz FJXNZNQDSTVRAC-YJNKXOJESA-N 1 2 391.472 -0.011 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000982135758 1073687563 /nfs/dbraw/zinc/68/75/63/1073687563.db2.gz JHSWDGXCWSPJEE-MYZSUADSSA-N 1 2 377.445 -0.305 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC000982136176 1073688478 /nfs/dbraw/zinc/68/84/78/1073688478.db2.gz VXUKDFRCAYMIHT-JJXSEGSLSA-N 1 2 391.472 -0.080 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000982136180 1073688414 /nfs/dbraw/zinc/68/84/14/1073688414.db2.gz WDUCSSJBFVJJTR-MYZSUADSSA-N 1 2 377.445 -0.603 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000982152592 1073689898 /nfs/dbraw/zinc/68/98/98/1073689898.db2.gz AYLQDFTWKGEDMU-REWJHTLYSA-N 1 2 387.444 -0.078 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000982300319 1073710431 /nfs/dbraw/zinc/71/04/31/1073710431.db2.gz VXUUKEKGJQAYTJ-GUIRCDHDSA-N 1 2 385.428 -0.767 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC000982300319 1073710425 /nfs/dbraw/zinc/71/04/25/1073710425.db2.gz VXUUKEKGJQAYTJ-GUIRCDHDSA-N 1 2 385.428 -0.767 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2NC(=O)Cn2cc[nH+]c2)cn1 ZINC000982330922 1073735579 /nfs/dbraw/zinc/73/55/79/1073735579.db2.gz YTNHQIBODGJPPI-GGXPGOJBSA-N 1 2 384.440 -0.236 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000982339502 1073739472 /nfs/dbraw/zinc/73/94/72/1073739472.db2.gz HOCUZMHMSYKVFY-AMVTXUCVSA-N 1 2 384.440 -0.167 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000982340082 1073740390 /nfs/dbraw/zinc/74/03/90/1073740390.db2.gz OIBRULKQETWSCW-ZTENYAIWSA-N 1 2 384.440 -0.167 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2NC(=O)[C@]23C[C@H]2COC3)cn1 ZINC000982347529 1073746417 /nfs/dbraw/zinc/74/64/17/1073746417.db2.gz AIYMERMUEALARF-GGXPGOJBSA-N 1 2 384.440 -0.236 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2NC(=O)[C@]23C[C@H]2COC3)cn1 ZINC000982403608 1073768673 /nfs/dbraw/zinc/76/86/73/1073768673.db2.gz NHUIBQTVHRSZIV-ZTENYAIWSA-N 1 2 384.440 -0.167 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2NC(=O)[C@]23C[C@H]2COC3)cn1 ZINC000982449862 1073831654 /nfs/dbraw/zinc/83/16/54/1073831654.db2.gz MMYMGRYLZDPIEM-AMVTXUCVSA-N 1 2 384.440 -0.167 20 0 GBADLO CCO[C@@H]1CN(C(C)=O)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000982471722 1073656542 /nfs/dbraw/zinc/65/65/42/1073656542.db2.gz WGYCHAIDBQRFRG-ZJPYXAASSA-N 1 2 383.489 -0.134 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000982616526 1073916257 /nfs/dbraw/zinc/91/62/57/1073916257.db2.gz ZHKLXHGKPHYGSN-RGCMKSIDSA-N 1 2 388.432 -0.820 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000982616526 1073916254 /nfs/dbraw/zinc/91/62/54/1073916254.db2.gz ZHKLXHGKPHYGSN-RGCMKSIDSA-N 1 2 388.432 -0.820 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000982761195 1073937364 /nfs/dbraw/zinc/93/73/64/1073937364.db2.gz BRICSGNRNNBXIX-MUIFIZLQSA-N 1 2 393.488 -0.349 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000982761195 1073937357 /nfs/dbraw/zinc/93/73/57/1073937357.db2.gz BRICSGNRNNBXIX-MUIFIZLQSA-N 1 2 393.488 -0.349 20 0 GBADLO CCO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000982761277 1073937310 /nfs/dbraw/zinc/93/73/10/1073937310.db2.gz DLBLWEWHKYZSMD-RGCMKSIDSA-N 1 2 377.445 -0.621 20 0 GBADLO CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000982863985 1073987126 /nfs/dbraw/zinc/98/71/26/1073987126.db2.gz WXAAPHSMBLUDEM-YIYPIFLZSA-N 1 2 377.445 -0.557 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000982873462 1072153755 /nfs/dbraw/zinc/15/37/55/1072153755.db2.gz IBKSGSZEURQJDE-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000982873462 1072153752 /nfs/dbraw/zinc/15/37/52/1072153752.db2.gz IBKSGSZEURQJDE-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000982882574 1072158797 /nfs/dbraw/zinc/15/87/97/1072158797.db2.gz XAELEXKOSKVHPH-RGCMKSIDSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000982882574 1072158791 /nfs/dbraw/zinc/15/87/91/1072158791.db2.gz XAELEXKOSKVHPH-RGCMKSIDSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000982886504 1072157721 /nfs/dbraw/zinc/15/77/21/1072157721.db2.gz WKLZCOGCMBJBSN-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000982886504 1072157716 /nfs/dbraw/zinc/15/77/16/1072157716.db2.gz WKLZCOGCMBJBSN-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000982938393 1072278479 /nfs/dbraw/zinc/27/84/79/1072278479.db2.gz OBTHBPZULHSJIH-RGCMKSIDSA-N 1 2 388.432 -0.820 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000982938393 1072278474 /nfs/dbraw/zinc/27/84/74/1072278474.db2.gz OBTHBPZULHSJIH-RGCMKSIDSA-N 1 2 388.432 -0.820 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000982939656 1072274139 /nfs/dbraw/zinc/27/41/39/1072274139.db2.gz DFTFMLXNZFDYNV-IXYNUQLISA-N 1 2 387.444 -0.215 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000982939656 1072274130 /nfs/dbraw/zinc/27/41/30/1072274130.db2.gz DFTFMLXNZFDYNV-IXYNUQLISA-N 1 2 387.444 -0.215 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000983012183 1072314447 /nfs/dbraw/zinc/31/44/47/1072314447.db2.gz LEHLQYHYCBXOEH-ILXVDBEPSA-N 1 2 376.457 -0.021 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000983012186 1072314787 /nfs/dbraw/zinc/31/47/87/1072314787.db2.gz LEHLQYHYCBXOEH-YQYZPQCESA-N 1 2 376.457 -0.021 20 0 GBADLO CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000983014181 1072319278 /nfs/dbraw/zinc/31/92/78/1072319278.db2.gz ZHGRSVRVPWXIOL-REBRKWNGSA-N 1 2 377.445 -0.557 20 0 GBADLO CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000983014181 1072319263 /nfs/dbraw/zinc/31/92/63/1072319263.db2.gz ZHGRSVRVPWXIOL-REBRKWNGSA-N 1 2 377.445 -0.557 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CNC(=O)c1ncn(C)n1 ZINC000983023171 1072326710 /nfs/dbraw/zinc/32/67/10/1072326710.db2.gz BLJUXAFXVJGHLK-RGCMKSIDSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CNC(=O)c1ncn(C)n1 ZINC000983023171 1072326703 /nfs/dbraw/zinc/32/67/03/1072326703.db2.gz BLJUXAFXVJGHLK-RGCMKSIDSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CNC(=O)c1cnn[nH]1 ZINC000983023297 1072326681 /nfs/dbraw/zinc/32/66/81/1072326681.db2.gz CTBBQRVGZZXUAB-QHSBEEBCSA-N 1 2 380.449 -0.883 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CNC(=O)c1cnn[nH]1 ZINC000983023297 1072326674 /nfs/dbraw/zinc/32/66/74/1072326674.db2.gz CTBBQRVGZZXUAB-QHSBEEBCSA-N 1 2 380.449 -0.883 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CNC(=O)c1cn[nH]n1 ZINC000983023297 1072326667 /nfs/dbraw/zinc/32/66/67/1072326667.db2.gz CTBBQRVGZZXUAB-QHSBEEBCSA-N 1 2 380.449 -0.883 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CNC(=O)c1cn[nH]n1 ZINC000983023297 1072326658 /nfs/dbraw/zinc/32/66/58/1072326658.db2.gz CTBBQRVGZZXUAB-QHSBEEBCSA-N 1 2 380.449 -0.883 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC000983024041 1072327661 /nfs/dbraw/zinc/32/76/61/1072327661.db2.gz IYGKCPACYGRAGB-HKUMRIAESA-N 1 2 388.432 -0.670 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC000983024041 1072327657 /nfs/dbraw/zinc/32/76/57/1072327657.db2.gz IYGKCPACYGRAGB-HKUMRIAESA-N 1 2 388.432 -0.670 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CNC(=O)c1cnnn1C ZINC000983024983 1072328593 /nfs/dbraw/zinc/32/85/93/1072328593.db2.gz SQHJDELRRKAJPE-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CNC(=O)c1cnnn1C ZINC000983024983 1072328586 /nfs/dbraw/zinc/32/85/86/1072328586.db2.gz SQHJDELRRKAJPE-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CNC(=O)c1cn(C)nn1 ZINC000983025288 1072328223 /nfs/dbraw/zinc/32/82/23/1072328223.db2.gz VUQCLXMCFXOKCM-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CNC(=O)c1cn(C)nn1 ZINC000983025288 1072328215 /nfs/dbraw/zinc/32/82/15/1072328215.db2.gz VUQCLXMCFXOKCM-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CNC(=O)c1cnn(C)n1 ZINC000983025467 1072328427 /nfs/dbraw/zinc/32/84/27/1072328427.db2.gz XJMOZKXGCRGUKR-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CNC(=O)c1cnn(C)n1 ZINC000983025467 1072328416 /nfs/dbraw/zinc/32/84/16/1072328416.db2.gz XJMOZKXGCRGUKR-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000983034142 1072330639 /nfs/dbraw/zinc/33/06/39/1072330639.db2.gz AMIMKWSBMCSWEV-QKPAOTATSA-N 1 2 391.472 -0.236 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC000983035741 1072331003 /nfs/dbraw/zinc/33/10/03/1072331003.db2.gz OVRWCFOQXNRNBE-KLHDSHLOSA-N 1 2 391.472 -0.223 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000983036549 1072331615 /nfs/dbraw/zinc/33/16/15/1072331615.db2.gz XLMSCBIRQPAHBW-QKPAOTATSA-N 1 2 391.472 -0.413 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC000983038499 1072332284 /nfs/dbraw/zinc/33/22/84/1072332284.db2.gz SFLBVHGUSDWKAI-HWMZRRJGSA-N 1 2 380.445 -0.333 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CNC(=O)c1ncn[nH]1 ZINC000983039011 1072331515 /nfs/dbraw/zinc/33/15/15/1072331515.db2.gz XKYNUDOUWXJGAL-AAVRWANBSA-N 1 2 380.449 -0.883 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CNC(=O)c1ncn[nH]1 ZINC000983039011 1072331506 /nfs/dbraw/zinc/33/15/06/1072331506.db2.gz XKYNUDOUWXJGAL-AAVRWANBSA-N 1 2 380.449 -0.883 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CNC(=O)c1nnc[nH]1 ZINC000983039011 1072331496 /nfs/dbraw/zinc/33/14/96/1072331496.db2.gz XKYNUDOUWXJGAL-AAVRWANBSA-N 1 2 380.449 -0.883 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CNC(=O)c1nnc[nH]1 ZINC000983039011 1072331486 /nfs/dbraw/zinc/33/14/86/1072331486.db2.gz XKYNUDOUWXJGAL-AAVRWANBSA-N 1 2 380.449 -0.883 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000983057141 1072334669 /nfs/dbraw/zinc/33/46/69/1072334669.db2.gz IAYYNSMCXDOZII-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983070197 1072340344 /nfs/dbraw/zinc/34/03/44/1072340344.db2.gz SCROOILUFCLGET-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983070197 1072340333 /nfs/dbraw/zinc/34/03/33/1072340333.db2.gz SCROOILUFCLGET-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000983084479 1072355970 /nfs/dbraw/zinc/35/59/70/1072355970.db2.gz BNYPBFDAKSOADC-YIYPIFLZSA-N 1 2 391.472 -0.212 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000983086742 1072363191 /nfs/dbraw/zinc/36/31/91/1072363191.db2.gz RDWBBZMFMGHMSB-REBRKWNGSA-N 1 2 377.445 -0.936 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000983087160 1072365306 /nfs/dbraw/zinc/36/53/06/1072365306.db2.gz URZKABRLKLSBLZ-DZASIIFFSA-N 1 2 376.457 -0.021 20 0 GBADLO CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000983105154 1072386010 /nfs/dbraw/zinc/38/60/10/1072386010.db2.gz OEWYXDDFURBRGC-APIJFGDWSA-N 1 2 377.445 -0.626 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000983123017 1072427622 /nfs/dbraw/zinc/42/76/22/1072427622.db2.gz UZPXUUDVWJLBMB-GUIRCDHDSA-N 1 2 377.445 -0.638 20 0 GBADLO CCO[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000983160369 1072456570 /nfs/dbraw/zinc/45/65/70/1072456570.db2.gz TXDNBHGMCAUSOD-APIJFGDWSA-N 1 2 391.472 -0.546 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1CNC(C)=O ZINC000983160534 1072456533 /nfs/dbraw/zinc/45/65/33/1072456533.db2.gz VXRJYESXWNZVMQ-ZJPYXAASSA-N 1 2 383.489 -0.134 20 0 GBADLO CCO[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC000983168612 1072462472 /nfs/dbraw/zinc/46/24/72/1072462472.db2.gz NUZCWYWWIADOEX-DMRZNYOFSA-N 1 2 391.472 -0.546 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000983173510 1072464891 /nfs/dbraw/zinc/46/48/91/1072464891.db2.gz XWLOUYHKPHPVCK-RGCMKSIDSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983191038 1072478508 /nfs/dbraw/zinc/47/85/08/1072478508.db2.gz BCDSIKVUXXZLHP-HKUMRIAESA-N 1 2 388.432 -0.670 20 0 GBADLO CCO[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983191038 1072478505 /nfs/dbraw/zinc/47/85/05/1072478505.db2.gz BCDSIKVUXXZLHP-HKUMRIAESA-N 1 2 388.432 -0.670 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC000983227145 1072545335 /nfs/dbraw/zinc/54/53/35/1072545335.db2.gz IJRVFNIGFRIJPY-CFAJVAMVSA-N 1 2 380.445 -0.264 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000983227176 1072545390 /nfs/dbraw/zinc/54/53/90/1072545390.db2.gz KGQLEOIHWXWNNX-LXTVHRRPSA-N 1 2 391.472 -0.344 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000983228359 1072552373 /nfs/dbraw/zinc/55/23/73/1072552373.db2.gz WGTOOBPSAXYDPE-LXTVHRRPSA-N 1 2 391.472 -0.167 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC000983228707 1072549134 /nfs/dbraw/zinc/54/91/34/1072549134.db2.gz ZPWOSTCAVLCTMM-KBUPBQIOSA-N 1 2 391.472 -0.153 20 0 GBADLO CCO[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983245111 1072585294 /nfs/dbraw/zinc/58/52/94/1072585294.db2.gz PWBUSBBGBNFMBK-RGCMKSIDSA-N 1 2 389.456 -0.242 20 0 GBADLO CCO[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983245111 1072585282 /nfs/dbraw/zinc/58/52/82/1072585282.db2.gz PWBUSBBGBNFMBK-RGCMKSIDSA-N 1 2 389.456 -0.242 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CNC(=O)c1cn[nH]n1 ZINC000983336344 1072694215 /nfs/dbraw/zinc/69/42/15/1072694215.db2.gz XGXRHSXHOJAVSN-BRXULGCHSA-N 1 2 387.444 -0.065 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983343385 1072716345 /nfs/dbraw/zinc/71/63/45/1072716345.db2.gz RWQHESGYHBZQHP-IXYNUQLISA-N 1 2 387.444 -0.215 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983343385 1072716342 /nfs/dbraw/zinc/71/63/42/1072716342.db2.gz RWQHESGYHBZQHP-IXYNUQLISA-N 1 2 387.444 -0.215 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000983372191 1072761531 /nfs/dbraw/zinc/76/15/31/1072761531.db2.gz GOQXFQGUNMCXMQ-HLPPOEQASA-N 1 2 391.472 -0.167 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000983373464 1072763249 /nfs/dbraw/zinc/76/32/49/1072763249.db2.gz SPPCGIGSGVDXQP-SLBVQIDZSA-N 1 2 391.472 -0.344 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC000983373572 1072765058 /nfs/dbraw/zinc/76/50/58/1072765058.db2.gz VWKZKJJBRMCREE-RRCSTGOVSA-N 1 2 391.472 -0.153 20 0 GBADLO CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC000983373795 1072764751 /nfs/dbraw/zinc/76/47/51/1072764751.db2.gz ZJZAFNZQLFABCX-SHFYGJNESA-N 1 2 380.445 -0.264 20 0 GBADLO C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000983595804 1073018438 /nfs/dbraw/zinc/01/84/38/1073018438.db2.gz XHLSJIDISKOLDP-LXTVHRRPSA-N 1 2 386.460 -0.046 20 0 GBADLO C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000983818918 1073164907 /nfs/dbraw/zinc/16/49/07/1073164907.db2.gz JYCJDSSLXVHTAK-LXTVHRRPSA-N 1 2 386.460 -0.046 20 0 GBADLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000983893380 1073175402 /nfs/dbraw/zinc/17/54/02/1073175402.db2.gz ZOWPGVOMDUDMEA-CBBWQLFWSA-N 1 2 377.445 -0.341 20 0 GBADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000983926006 1073184457 /nfs/dbraw/zinc/18/44/57/1073184457.db2.gz MCVXUVCXYVGUHU-SYAUCNOPSA-N 1 2 391.472 -0.261 20 0 GBADLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000984020559 1073199861 /nfs/dbraw/zinc/19/98/61/1073199861.db2.gz HBLQJXFOJJWWDS-ZOBORPQBSA-N 1 2 377.445 -0.272 20 0 GBADLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000984123997 1073242803 /nfs/dbraw/zinc/24/28/03/1073242803.db2.gz VHERIXMUAYKOTL-UQOMUDLDSA-N 1 2 377.445 -0.272 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)Cc2n[nH]c(C)n2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000984853214 1073373596 /nfs/dbraw/zinc/37/35/96/1073373596.db2.gz CDCHCMJSXZEVJE-FAAHXZRKSA-N 1 2 378.477 -0.130 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)Cc2n[nH]c(C)n2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000984853214 1073373587 /nfs/dbraw/zinc/37/35/87/1073373587.db2.gz CDCHCMJSXZEVJE-FAAHXZRKSA-N 1 2 378.477 -0.130 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000985017839 1073439632 /nfs/dbraw/zinc/43/96/32/1073439632.db2.gz YDKYBGORUNMCMO-HGTKMLMNSA-N 1 2 389.456 -0.132 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000985017839 1073439627 /nfs/dbraw/zinc/43/96/27/1073439627.db2.gz YDKYBGORUNMCMO-HGTKMLMNSA-N 1 2 389.456 -0.132 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)CN1CCNC(=O)C1 ZINC000985053414 1073448816 /nfs/dbraw/zinc/44/88/16/1073448816.db2.gz BXQHKOIBLZFXKB-HGTKMLMNSA-N 1 2 388.472 -0.559 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)CN1CCNC(=O)C1 ZINC000985053414 1073448812 /nfs/dbraw/zinc/44/88/12/1073448812.db2.gz BXQHKOIBLZFXKB-HGTKMLMNSA-N 1 2 388.472 -0.559 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)CN1CCOCC1=O ZINC000985054234 1073449488 /nfs/dbraw/zinc/44/94/88/1073449488.db2.gz WHPQJBHMLSRRQC-HGTKMLMNSA-N 1 2 389.456 -0.132 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)CN1CCOCC1=O ZINC000985054234 1073449478 /nfs/dbraw/zinc/44/94/78/1073449478.db2.gz WHPQJBHMLSRRQC-HGTKMLMNSA-N 1 2 389.456 -0.132 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)CN1C(=O)CNC1=O ZINC000985054480 1073451068 /nfs/dbraw/zinc/45/10/68/1073451068.db2.gz IOJMGYVWQYNSPL-NRWUCQMLSA-N 1 2 388.428 -0.439 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)CN1C(=O)CNC1=O ZINC000985054480 1073451064 /nfs/dbraw/zinc/45/10/64/1073451064.db2.gz IOJMGYVWQYNSPL-NRWUCQMLSA-N 1 2 388.428 -0.439 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)Cn1ncn(C)c1=O ZINC000985054604 1073450520 /nfs/dbraw/zinc/45/05/20/1073450520.db2.gz LZWSQMGZRAPARI-GUIRCDHDSA-N 1 2 387.444 -0.396 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)Cn1ncn(C)c1=O ZINC000985054604 1073450516 /nfs/dbraw/zinc/45/05/16/1073450516.db2.gz LZWSQMGZRAPARI-GUIRCDHDSA-N 1 2 387.444 -0.396 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000985055576 1073450806 /nfs/dbraw/zinc/45/08/06/1073450806.db2.gz XUCDVEQORUAZAR-NRWUCQMLSA-N 1 2 388.428 -0.439 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000985055576 1073450797 /nfs/dbraw/zinc/45/07/97/1073450797.db2.gz XUCDVEQORUAZAR-NRWUCQMLSA-N 1 2 388.428 -0.439 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)CCc1c[nH]nn1 ZINC000985056395 1073450906 /nfs/dbraw/zinc/45/09/06/1073450906.db2.gz MCJYEBWBYVLVIR-SLBVQIDZSA-N 1 2 378.477 -0.048 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)CCc1c[nH]nn1 ZINC000985056395 1073450905 /nfs/dbraw/zinc/45/09/05/1073450905.db2.gz MCJYEBWBYVLVIR-SLBVQIDZSA-N 1 2 378.477 -0.048 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)CCc1cn[nH]n1 ZINC000985056395 1073450903 /nfs/dbraw/zinc/45/09/03/1073450903.db2.gz MCJYEBWBYVLVIR-SLBVQIDZSA-N 1 2 378.477 -0.048 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)CCc1cn[nH]n1 ZINC000985056395 1073450902 /nfs/dbraw/zinc/45/09/02/1073450902.db2.gz MCJYEBWBYVLVIR-SLBVQIDZSA-N 1 2 378.477 -0.048 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)CCc1nc[nH]n1 ZINC000985058474 1073452297 /nfs/dbraw/zinc/45/22/97/1073452297.db2.gz CQPUOEORCAZYJZ-LXTVHRRPSA-N 1 2 378.477 -0.048 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)CCc1nc[nH]n1 ZINC000985058474 1073452294 /nfs/dbraw/zinc/45/22/94/1073452294.db2.gz CQPUOEORCAZYJZ-LXTVHRRPSA-N 1 2 378.477 -0.048 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)CCc1nnc[nH]1 ZINC000985058474 1073452289 /nfs/dbraw/zinc/45/22/89/1073452289.db2.gz CQPUOEORCAZYJZ-LXTVHRRPSA-N 1 2 378.477 -0.048 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)CCc1nnc[nH]1 ZINC000985058474 1073452286 /nfs/dbraw/zinc/45/22/86/1073452286.db2.gz CQPUOEORCAZYJZ-LXTVHRRPSA-N 1 2 378.477 -0.048 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000985073498 1073452827 /nfs/dbraw/zinc/45/28/27/1073452827.db2.gz FIFXKNYZLCVIHZ-GUIRCDHDSA-N 1 2 387.444 -0.396 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000985073498 1073452822 /nfs/dbraw/zinc/45/28/22/1073452822.db2.gz FIFXKNYZLCVIHZ-GUIRCDHDSA-N 1 2 387.444 -0.396 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000985164807 1073473982 /nfs/dbraw/zinc/47/39/82/1073473982.db2.gz VVLQHIFPISJMDF-LJISPDSOSA-N 1 2 377.445 -0.509 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000985220151 1073479865 /nfs/dbraw/zinc/47/98/65/1073479865.db2.gz DKOKYWKIZUZSRQ-PMOUVXMZSA-N 1 2 377.445 -0.211 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000985233362 1073481111 /nfs/dbraw/zinc/48/11/11/1073481111.db2.gz OLEMGEGUMZIOHO-HGTKMLMNSA-N 1 2 388.472 -0.559 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000985233362 1073481105 /nfs/dbraw/zinc/48/11/05/1073481105.db2.gz OLEMGEGUMZIOHO-HGTKMLMNSA-N 1 2 388.472 -0.559 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000985275250 1073486045 /nfs/dbraw/zinc/48/60/45/1073486045.db2.gz KLYBEOTYZCMQHQ-NRWUCQMLSA-N 1 2 388.428 -0.439 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000985275250 1073486044 /nfs/dbraw/zinc/48/60/44/1073486044.db2.gz KLYBEOTYZCMQHQ-NRWUCQMLSA-N 1 2 388.428 -0.439 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000985484603 1073522899 /nfs/dbraw/zinc/52/28/99/1073522899.db2.gz AEWBJNGLNKDMKM-LJISPDSOSA-N 1 2 391.472 -0.119 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000985484609 1073523926 /nfs/dbraw/zinc/52/39/26/1073523926.db2.gz AFXLTEVIRKEHNX-XUWVNRHRSA-N 1 2 391.472 -0.119 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000985484825 1073523888 /nfs/dbraw/zinc/52/38/88/1073523888.db2.gz FXHHGAYEGMRDLU-PMOUVXMZSA-N 1 2 377.445 -0.211 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000985484826 1073523754 /nfs/dbraw/zinc/52/37/54/1073523754.db2.gz FYACIIBZGGDVMD-RFQIPJPRSA-N 1 2 377.445 -0.129 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985486187 1073525155 /nfs/dbraw/zinc/52/51/55/1073525155.db2.gz SUQUWMFYRXCSCQ-LJISPDSOSA-N 1 2 377.445 -0.509 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000985486505 1073523964 /nfs/dbraw/zinc/52/39/64/1073523964.db2.gz VDOASZDCNCDSAC-LJISPDSOSA-N 1 2 377.445 -0.198 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000985490394 1073526027 /nfs/dbraw/zinc/52/60/27/1073526027.db2.gz ZGESTWQKZSENCC-LJISPDSOSA-N 1 2 377.445 -0.129 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000985490394 1073526013 /nfs/dbraw/zinc/52/60/13/1073526013.db2.gz ZGESTWQKZSENCC-LJISPDSOSA-N 1 2 377.445 -0.129 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000985531055 1073532704 /nfs/dbraw/zinc/53/27/04/1073532704.db2.gz CEHFEJBJTQEVGJ-NRWUCQMLSA-N 1 2 388.428 -0.439 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000985531055 1073532689 /nfs/dbraw/zinc/53/26/89/1073532689.db2.gz CEHFEJBJTQEVGJ-NRWUCQMLSA-N 1 2 388.428 -0.439 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC000985703731 1073684166 /nfs/dbraw/zinc/68/41/66/1073684166.db2.gz SAEFTTAVDUVYTM-LXTVHRRPSA-N 1 2 384.444 -0.483 20 0 GBADLO CS(=O)(=O)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC000985795226 1073725461 /nfs/dbraw/zinc/72/54/61/1073725461.db2.gz XIYBWICJGBMIEG-XJFOESAGSA-N 1 2 380.470 -0.135 20 0 GBADLO CS(=O)(=O)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC000985795226 1073725454 /nfs/dbraw/zinc/72/54/54/1073725454.db2.gz XIYBWICJGBMIEG-XJFOESAGSA-N 1 2 380.470 -0.135 20 0 GBADLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCN(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000985829449 1073731424 /nfs/dbraw/zinc/73/14/24/1073731424.db2.gz IVFMJVJFMBIFFF-YESZJQIVSA-N 1 2 380.489 -0.324 20 0 GBADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCN(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000985829869 1073731673 /nfs/dbraw/zinc/73/16/73/1073731673.db2.gz OIKSOSOEAJJVFK-ALYAQQCSSA-N 1 2 378.473 -0.716 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4ccn[nH]4)C[C@@H]3C2)O1 ZINC000985865044 1073737691 /nfs/dbraw/zinc/73/76/91/1073737691.db2.gz OWFICZUQQOAZLQ-PNBKFKSVSA-N 1 2 375.473 -0.022 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4ccn[nH]4)C[C@@H]3C2)O1 ZINC000985865044 1073737684 /nfs/dbraw/zinc/73/76/84/1073737684.db2.gz OWFICZUQQOAZLQ-PNBKFKSVSA-N 1 2 375.473 -0.022 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4nc[nH]n4)C[C@@H]3C2)O1 ZINC000985900523 1073749765 /nfs/dbraw/zinc/74/97/65/1073749765.db2.gz INGNSYSHAZJLPE-LVQVYYBASA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4nc[nH]n4)C[C@@H]3C2)O1 ZINC000985900523 1073749752 /nfs/dbraw/zinc/74/97/52/1073749752.db2.gz INGNSYSHAZJLPE-LVQVYYBASA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4nnc[nH]4)C[C@@H]3C2)O1 ZINC000985900523 1073749741 /nfs/dbraw/zinc/74/97/41/1073749741.db2.gz INGNSYSHAZJLPE-LVQVYYBASA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4nnc[nH]4)C[C@@H]3C2)O1 ZINC000985900523 1073749732 /nfs/dbraw/zinc/74/97/32/1073749732.db2.gz INGNSYSHAZJLPE-LVQVYYBASA-N 1 2 390.488 -0.237 20 0 GBADLO O=C(CN1CN=NC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC000985981832 1073763193 /nfs/dbraw/zinc/76/31/93/1073763193.db2.gz ANZXZGWMXJXYAH-XJFOESAGSA-N 1 2 385.428 -0.183 20 0 GBADLO O=C(CN1CN=NC1=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC000985981832 1073763185 /nfs/dbraw/zinc/76/31/85/1073763185.db2.gz ANZXZGWMXJXYAH-XJFOESAGSA-N 1 2 385.428 -0.183 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)O1 ZINC000986021405 1073770208 /nfs/dbraw/zinc/77/02/08/1073770208.db2.gz UMSZZAOSAPYBPH-CBBWQLFWSA-N 1 2 389.456 -0.318 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC000986155377 1073838893 /nfs/dbraw/zinc/83/88/93/1073838893.db2.gz ZZFLCHYVUTWODH-LXTVHRRPSA-N 1 2 384.444 -0.483 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000986157206 1073838711 /nfs/dbraw/zinc/83/87/11/1073838711.db2.gz JIDLBIQZHGQOLH-AYRXBEOTSA-N 1 2 392.481 -0.135 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 ZINC000986157206 1073838699 /nfs/dbraw/zinc/83/86/99/1073838699.db2.gz JIDLBIQZHGQOLH-AYRXBEOTSA-N 1 2 392.481 -0.135 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000986181727 1073841502 /nfs/dbraw/zinc/84/15/02/1073841502.db2.gz JVLUNEXPJRMLFZ-LVQVYYBASA-N 1 2 385.468 -0.054 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]3C2)O1 ZINC000986279684 1073845935 /nfs/dbraw/zinc/84/59/35/1073845935.db2.gz LMWHEFNFLLCIJM-BFJAYTPKSA-N 1 2 389.456 -0.318 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)O1 ZINC000986279684 1073845924 /nfs/dbraw/zinc/84/59/24/1073845924.db2.gz LMWHEFNFLLCIJM-BFJAYTPKSA-N 1 2 389.456 -0.318 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4ccn[nH]4)C[C@H]3C2)O1 ZINC000986321496 1073848294 /nfs/dbraw/zinc/84/82/94/1073848294.db2.gz QXJACNULVLNXOY-PNBKFKSVSA-N 1 2 375.473 -0.022 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4ccn[nH]4)C[C@H]3C2)O1 ZINC000986321496 1073848282 /nfs/dbraw/zinc/84/82/82/1073848282.db2.gz QXJACNULVLNXOY-PNBKFKSVSA-N 1 2 375.473 -0.022 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4nc[nH]n4)C[C@H]3C2)O1 ZINC000986322027 1073848958 /nfs/dbraw/zinc/84/89/58/1073848958.db2.gz VSSNASBZFOZLBG-LVQVYYBASA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4nc[nH]n4)C[C@H]3C2)O1 ZINC000986322027 1073848948 /nfs/dbraw/zinc/84/89/48/1073848948.db2.gz VSSNASBZFOZLBG-LVQVYYBASA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4nnc[nH]4)C[C@H]3C2)O1 ZINC000986322027 1073848932 /nfs/dbraw/zinc/84/89/32/1073848932.db2.gz VSSNASBZFOZLBG-LVQVYYBASA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4nnc[nH]4)C[C@H]3C2)O1 ZINC000986322027 1073848916 /nfs/dbraw/zinc/84/89/16/1073848916.db2.gz VSSNASBZFOZLBG-LVQVYYBASA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]nn4)C[C@H]3C2)O1 ZINC000986323836 1073848464 /nfs/dbraw/zinc/84/84/64/1073848464.db2.gz JVKFLEJBHCYYTQ-PNBKFKSVSA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]nn4)C[C@H]3C2)O1 ZINC000986323836 1073848456 /nfs/dbraw/zinc/84/84/56/1073848456.db2.gz JVKFLEJBHCYYTQ-PNBKFKSVSA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4cn[nH]n4)C[C@H]3C2)O1 ZINC000986323836 1073848450 /nfs/dbraw/zinc/84/84/50/1073848450.db2.gz JVKFLEJBHCYYTQ-PNBKFKSVSA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4cn[nH]n4)C[C@H]3C2)O1 ZINC000986323836 1073848445 /nfs/dbraw/zinc/84/84/45/1073848445.db2.gz JVKFLEJBHCYYTQ-PNBKFKSVSA-N 1 2 390.488 -0.237 20 0 GBADLO O=C(CCn1cnnn1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986324749 1073847886 /nfs/dbraw/zinc/84/78/86/1073847886.db2.gz LSDCENNLHUDLDV-LXTVHRRPSA-N 1 2 384.444 -0.103 20 0 GBADLO O=C(CCn1cnnn1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000986324749 1073847870 /nfs/dbraw/zinc/84/78/70/1073847870.db2.gz LSDCENNLHUDLDV-LXTVHRRPSA-N 1 2 384.444 -0.103 20 0 GBADLO Cc1nn[nH]c1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC000986325003 1073848005 /nfs/dbraw/zinc/84/80/05/1073848005.db2.gz UORNIGHIEKSCEV-REBRKWNGSA-N 1 2 376.461 -0.247 20 0 GBADLO Cc1nn[nH]c1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC000986325003 1073847991 /nfs/dbraw/zinc/84/79/91/1073847991.db2.gz UORNIGHIEKSCEV-REBRKWNGSA-N 1 2 376.461 -0.247 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C1 ZINC000986325580 1073848377 /nfs/dbraw/zinc/84/83/77/1073848377.db2.gz SEFXBJUYIXBUFC-AYRXBEOTSA-N 1 2 392.481 -0.135 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C1 ZINC000986325580 1073848366 /nfs/dbraw/zinc/84/83/66/1073848366.db2.gz SEFXBJUYIXBUFC-AYRXBEOTSA-N 1 2 392.481 -0.135 20 0 GBADLO O=C(CN1CN=NC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986326492 1073850574 /nfs/dbraw/zinc/85/05/74/1073850574.db2.gz KFJGNEFFGIRWMA-XJFOESAGSA-N 1 2 385.428 -0.183 20 0 GBADLO O=C(CN1CN=NC1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000986326492 1073850561 /nfs/dbraw/zinc/85/05/61/1073850561.db2.gz KFJGNEFFGIRWMA-XJFOESAGSA-N 1 2 385.428 -0.183 20 0 GBADLO CS(=O)(=O)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986326991 1073849632 /nfs/dbraw/zinc/84/96/32/1073849632.db2.gz NZSJJANLLRVUHW-XJFOESAGSA-N 1 2 380.470 -0.135 20 0 GBADLO CS(=O)(=O)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000986326991 1073849624 /nfs/dbraw/zinc/84/96/24/1073849624.db2.gz NZSJJANLLRVUHW-XJFOESAGSA-N 1 2 380.470 -0.135 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)O1 ZINC000986338213 1073850798 /nfs/dbraw/zinc/85/07/98/1073850798.db2.gz VNLQAFVPAYFXLC-CBBWQLFWSA-N 1 2 375.429 -0.777 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC[C@@H]2C1 ZINC000986418835 1073852868 /nfs/dbraw/zinc/85/28/68/1073852868.db2.gz PGQUEIVXPPEAHX-BFJAYTPKSA-N 1 2 389.456 -0.698 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000986419391 1073852965 /nfs/dbraw/zinc/85/29/65/1073852965.db2.gz WQCMBTORNQQJRZ-WTTBNOFXSA-N 1 2 387.484 -0.006 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)O1 ZINC000986438052 1073853918 /nfs/dbraw/zinc/85/39/18/1073853918.db2.gz ROFMTTRFEUWBCC-FXUDXRNXSA-N 1 2 389.456 -0.387 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC[C@@H]2C1 ZINC000986467134 1073854287 /nfs/dbraw/zinc/85/42/87/1073854287.db2.gz XUQLNVRXFVKDMS-BFJAYTPKSA-N 1 2 389.456 -0.400 20 0 GBADLO Cc1nn[nH]c1C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000986472329 1073854134 /nfs/dbraw/zinc/85/41/34/1073854134.db2.gz FMKWZCCSJFMVBG-REBRKWNGSA-N 1 2 376.461 -0.247 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC000986526144 1073857369 /nfs/dbraw/zinc/85/73/69/1073857369.db2.gz PTZZMWCNNIEOPE-XJFOESAGSA-N 1 2 384.444 -0.332 20 0 GBADLO O=C(CCn1cnnn1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000986565052 1073861568 /nfs/dbraw/zinc/86/15/68/1073861568.db2.gz RQQDUIRJJDBDFI-LXTVHRRPSA-N 1 2 384.444 -0.103 20 0 GBADLO O=C(CCn1cnnn1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000986565052 1073861554 /nfs/dbraw/zinc/86/15/54/1073861554.db2.gz RQQDUIRJJDBDFI-LXTVHRRPSA-N 1 2 384.444 -0.103 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)O1 ZINC000986577655 1073864641 /nfs/dbraw/zinc/86/46/41/1073864641.db2.gz QSLJXBWWRYCXGO-ZOBORPQBSA-N 1 2 375.429 -0.708 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000986591222 1073869064 /nfs/dbraw/zinc/86/90/64/1073869064.db2.gz CAVFSDAXXUAVBP-LVQVYYBASA-N 1 2 385.468 -0.054 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]3C2)O1 ZINC000986678195 1073876360 /nfs/dbraw/zinc/87/63/60/1073876360.db2.gz LEBAWXJCMVXJJL-FXUDXRNXSA-N 1 2 389.456 -0.387 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC000986678395 1073876223 /nfs/dbraw/zinc/87/62/23/1073876223.db2.gz NYVZLRHYJZTSSL-BFJAYTPKSA-N 1 2 389.456 -0.400 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]3C2)O1 ZINC000986678736 1073876521 /nfs/dbraw/zinc/87/65/21/1073876521.db2.gz PZBPWTRGOCHAIH-CBBWQLFWSA-N 1 2 389.456 -0.318 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]3C2)O1 ZINC000986679135 1073876427 /nfs/dbraw/zinc/87/64/27/1073876427.db2.gz UCAGSIQMXZMKTI-CBBWQLFWSA-N 1 2 375.429 -0.777 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]3C2)O1 ZINC000986679382 1073877422 /nfs/dbraw/zinc/87/74/22/1073877422.db2.gz XSPPAXMNMSCOLZ-BFJAYTPKSA-N 1 2 389.456 -0.318 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]3C2)O1 ZINC000986679382 1073877410 /nfs/dbraw/zinc/87/74/10/1073877410.db2.gz XSPPAXMNMSCOLZ-BFJAYTPKSA-N 1 2 389.456 -0.318 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC000986679419 1073877659 /nfs/dbraw/zinc/87/76/59/1073877659.db2.gz YQOJQVIDKYMBAT-BFJAYTPKSA-N 1 2 389.456 -0.698 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)O1 ZINC000986679729 1073877758 /nfs/dbraw/zinc/87/77/58/1073877758.db2.gz HVIFDGREYRNAHB-ZOBORPQBSA-N 1 2 375.429 -0.708 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)O1 ZINC000986680389 1073877254 /nfs/dbraw/zinc/87/72/54/1073877254.db2.gz KLQXEXVDPBOPRG-PAPYEOQZSA-N 1 2 375.429 -0.708 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000986684050 1073881312 /nfs/dbraw/zinc/88/13/12/1073881312.db2.gz RCNVWRFGFBVJKR-WTTBNOFXSA-N 1 2 387.484 -0.006 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]nn4)C[C@@H]3C2)O1 ZINC000986692905 1073879882 /nfs/dbraw/zinc/87/98/82/1073879882.db2.gz FMXNJMKTYDUVPB-PNBKFKSVSA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]nn4)C[C@@H]3C2)O1 ZINC000986692905 1073879865 /nfs/dbraw/zinc/87/98/65/1073879865.db2.gz FMXNJMKTYDUVPB-PNBKFKSVSA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4cn[nH]n4)C[C@@H]3C2)O1 ZINC000986692905 1073879851 /nfs/dbraw/zinc/87/98/51/1073879851.db2.gz FMXNJMKTYDUVPB-PNBKFKSVSA-N 1 2 390.488 -0.237 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4cn[nH]n4)C[C@@H]3C2)O1 ZINC000986692905 1073879836 /nfs/dbraw/zinc/87/98/36/1073879836.db2.gz FMXNJMKTYDUVPB-PNBKFKSVSA-N 1 2 390.488 -0.237 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3nnn(C)n3)CC[C@@H]2C1 ZINC000986694218 1073879325 /nfs/dbraw/zinc/87/93/25/1073879325.db2.gz GZSPONSDCGLVNQ-XJFOESAGSA-N 1 2 384.444 -0.332 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)Cn3cnnn3)CC[C@@H]2C1 ZINC000986698304 1073880866 /nfs/dbraw/zinc/88/08/66/1073880866.db2.gz OMHZQFPHRPMMSY-LXTVHRRPSA-N 1 2 384.444 -0.483 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]2C1 ZINC000986699098 1073880893 /nfs/dbraw/zinc/88/08/93/1073880893.db2.gz NKLHWOKSLWESAU-LXTVHRRPSA-N 1 2 384.444 -0.483 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)O1 ZINC000986765844 1073882710 /nfs/dbraw/zinc/88/27/10/1073882710.db2.gz PETRSTNHGVGKCQ-PAPYEOQZSA-N 1 2 375.429 -0.708 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000987636507 1073908211 /nfs/dbraw/zinc/90/82/11/1073908211.db2.gz SGTGTBAIFSYFTP-FPCVCCKLSA-N 1 2 375.473 -0.039 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000987908926 1073912047 /nfs/dbraw/zinc/91/20/47/1073912047.db2.gz VUGILGRQONBHMZ-SYQHCUMBSA-N 1 2 387.440 -0.222 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)c2nccnc2C(N)=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000987910139 1073912403 /nfs/dbraw/zinc/91/24/03/1073912403.db2.gz GSCMSUFAIGUART-KKOKHZNYSA-N 1 2 383.412 -0.179 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)c2nccnc2C(N)=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000987910139 1073912400 /nfs/dbraw/zinc/91/24/00/1073912400.db2.gz GSCMSUFAIGUART-KKOKHZNYSA-N 1 2 383.412 -0.179 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000988070875 1073914944 /nfs/dbraw/zinc/91/49/44/1073914944.db2.gz UYSTYOQEPHNYCI-UZWSLXQKSA-N 1 2 386.412 -0.268 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000988070875 1073914939 /nfs/dbraw/zinc/91/49/39/1073914939.db2.gz UYSTYOQEPHNYCI-UZWSLXQKSA-N 1 2 386.412 -0.268 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000988217115 1073919926 /nfs/dbraw/zinc/91/99/26/1073919926.db2.gz UVOGDPCCZNFURF-ZRJCITRHSA-N 1 2 380.470 -0.326 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000988337418 1073927500 /nfs/dbraw/zinc/92/75/00/1073927500.db2.gz WWGPCFVJKSEODQ-KKOKHZNYSA-N 1 2 386.416 -0.991 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000988337418 1073927496 /nfs/dbraw/zinc/92/74/96/1073927496.db2.gz WWGPCFVJKSEODQ-KKOKHZNYSA-N 1 2 386.416 -0.991 20 0 GBADLO CS(=O)(=O)Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001020405919 1072139253 /nfs/dbraw/zinc/13/92/53/1072139253.db2.gz FMQSEWXIETXNRE-ROLLRERGSA-N 1 2 396.469 -0.226 20 0 GBADLO COCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]21 ZINC001020926288 1072265957 /nfs/dbraw/zinc/26/59/57/1072265957.db2.gz RQXHLJXGPZOOGQ-HZMVEIRTSA-N 1 2 381.473 -0.428 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001021189201 1072316471 /nfs/dbraw/zinc/31/64/71/1072316471.db2.gz DPFQDSCIUGLSSX-KYEXWDHISA-N 1 2 380.470 -0.373 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4nc[nH]n4)[C@@H]3C2)O1 ZINC001021334579 1072334561 /nfs/dbraw/zinc/33/45/61/1072334561.db2.gz JHGWIXMDPJOQCP-LXTVHRRPSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4nnc[nH]4)[C@@H]3C2)O1 ZINC001021334579 1072334545 /nfs/dbraw/zinc/33/45/45/1072334545.db2.gz JHGWIXMDPJOQCP-LXTVHRRPSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4nnc[nH]4)[C@@H]3C2)O1 ZINC001021334579 1072334535 /nfs/dbraw/zinc/33/45/35/1072334535.db2.gz JHGWIXMDPJOQCP-LXTVHRRPSA-N 1 2 376.461 -0.484 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001021419496 1072375840 /nfs/dbraw/zinc/37/58/40/1072375840.db2.gz LDXBQLYVQQHDLV-BVIKNXMNSA-N 1 2 387.484 -0.085 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001021430749 1072381217 /nfs/dbraw/zinc/38/12/17/1072381217.db2.gz QMLZKVSRCCGDOW-KYEXWDHISA-N 1 2 385.428 -0.420 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)O1 ZINC001021490102 1072409392 /nfs/dbraw/zinc/40/93/92/1072409392.db2.gz IDUMYIRERWPFJN-RFQIPJPRSA-N 1 2 375.429 -0.566 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC001021608864 1072455106 /nfs/dbraw/zinc/45/51/06/1072455106.db2.gz YUMBNQLLJPEPAI-KYEXWDHISA-N 1 2 385.424 -0.279 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC001021608864 1072455099 /nfs/dbraw/zinc/45/50/99/1072455099.db2.gz YUMBNQLLJPEPAI-KYEXWDHISA-N 1 2 385.424 -0.279 20 0 GBADLO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]21 ZINC001021714711 1072493069 /nfs/dbraw/zinc/49/30/69/1072493069.db2.gz NGYUDCWZBUSKDP-XLNGHYISSA-N 1 2 375.473 -0.030 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001021758472 1072524314 /nfs/dbraw/zinc/52/43/14/1072524314.db2.gz GIJSQNHEGYLTJK-ADSMDIBLSA-N 1 2 392.481 -0.373 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001021759545 1072523979 /nfs/dbraw/zinc/52/39/79/1072523979.db2.gz YBZUGWPUGKUPPI-XTWPYSKKSA-N 1 2 378.454 -0.383 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001021759545 1072523968 /nfs/dbraw/zinc/52/39/68/1072523968.db2.gz YBZUGWPUGKUPPI-XTWPYSKKSA-N 1 2 378.454 -0.383 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001021861123 1072577883 /nfs/dbraw/zinc/57/78/83/1072577883.db2.gz IUMJKPUIIJDCGX-DRPJVOAASA-N 1 2 385.468 -0.057 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)O1 ZINC001021936868 1072584105 /nfs/dbraw/zinc/58/41/05/1072584105.db2.gz DJVFGCVGVODLLN-PMOUVXMZSA-N 1 2 375.429 -0.566 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)O1 ZINC001021936868 1072584094 /nfs/dbraw/zinc/58/40/94/1072584094.db2.gz DJVFGCVGVODLLN-PMOUVXMZSA-N 1 2 375.429 -0.566 20 0 GBADLO O=C(CN1CCOCC1=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC001021942794 1072584058 /nfs/dbraw/zinc/58/40/58/1072584058.db2.gz POSXKXZFWCQDHY-DSJMHWKBSA-N 1 2 387.440 -0.569 20 0 GBADLO O=C(CN1CCOCC1=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC001021942794 1072584048 /nfs/dbraw/zinc/58/40/48/1072584048.db2.gz POSXKXZFWCQDHY-DSJMHWKBSA-N 1 2 387.440 -0.569 20 0 GBADLO Cn1cnc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)cc1=O ZINC001022007360 1072603643 /nfs/dbraw/zinc/60/36/43/1072603643.db2.gz LDSUKHDXHWHAED-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1cnc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)cc1=O ZINC001022007360 1072603641 /nfs/dbraw/zinc/60/36/41/1072603641.db2.gz LDSUKHDXHWHAED-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022012271 1072606262 /nfs/dbraw/zinc/60/62/62/1072606262.db2.gz FFAMQGUEHLEAQI-FMCLSXCISA-N 1 2 386.412 -0.876 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001022012271 1072606258 /nfs/dbraw/zinc/60/62/58/1072606258.db2.gz FFAMQGUEHLEAQI-FMCLSXCISA-N 1 2 386.412 -0.876 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022012355 1072606542 /nfs/dbraw/zinc/60/65/42/1072606542.db2.gz FXRLOGPALQCYQC-KYEXWDHISA-N 1 2 385.424 -0.279 20 0 GBADLO O=C(CN1C(=O)CCC1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001022012355 1072606537 /nfs/dbraw/zinc/60/65/37/1072606537.db2.gz FXRLOGPALQCYQC-KYEXWDHISA-N 1 2 385.424 -0.279 20 0 GBADLO Cn1nc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)ccc1=O ZINC001022012833 1072606462 /nfs/dbraw/zinc/60/64/62/1072606462.db2.gz RKWXWHYQIKIXIU-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1nc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)ccc1=O ZINC001022012833 1072606459 /nfs/dbraw/zinc/60/64/59/1072606459.db2.gz RKWXWHYQIKIXIU-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC001022012836 1072606401 /nfs/dbraw/zinc/60/64/01/1072606401.db2.gz RLOGNPKGOVGXPX-XTWPYSKKSA-N 1 2 378.454 -0.383 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC001022012836 1072606397 /nfs/dbraw/zinc/60/63/97/1072606397.db2.gz RLOGNPKGOVGXPX-XTWPYSKKSA-N 1 2 378.454 -0.383 20 0 GBADLO O=C(CN1CCCNC1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022013477 1072607680 /nfs/dbraw/zinc/60/76/80/1072607680.db2.gz CCIGRXMYFUVOMA-DSJMHWKBSA-N 1 2 386.456 -0.012 20 0 GBADLO O=C(CN1CCCNC1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001022013477 1072607675 /nfs/dbraw/zinc/60/76/75/1072607675.db2.gz CCIGRXMYFUVOMA-DSJMHWKBSA-N 1 2 386.456 -0.012 20 0 GBADLO O=C(CN1CCOCC1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022013558 1072607624 /nfs/dbraw/zinc/60/76/24/1072607624.db2.gz DOLPINKDZIBASP-DSJMHWKBSA-N 1 2 387.440 -0.569 20 0 GBADLO O=C(CN1CCOCC1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001022013558 1072607618 /nfs/dbraw/zinc/60/76/18/1072607618.db2.gz DOLPINKDZIBASP-DSJMHWKBSA-N 1 2 387.440 -0.569 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001022013657 1072607430 /nfs/dbraw/zinc/60/74/30/1072607430.db2.gz FXPUNFKARRRABK-XTWPYSKKSA-N 1 2 385.424 -0.375 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001022013657 1072607424 /nfs/dbraw/zinc/60/74/24/1072607424.db2.gz FXPUNFKARRRABK-XTWPYSKKSA-N 1 2 385.424 -0.375 20 0 GBADLO Cn1cnn(CC(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)c1=O ZINC001022013684 1072607778 /nfs/dbraw/zinc/60/77/78/1072607778.db2.gz HLILFMNMXKNCEY-KYEXWDHISA-N 1 2 385.428 -0.832 20 0 GBADLO Cn1cnn(CC(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)c1=O ZINC001022013684 1072607776 /nfs/dbraw/zinc/60/77/76/1072607776.db2.gz HLILFMNMXKNCEY-KYEXWDHISA-N 1 2 385.428 -0.832 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022013832 1072607822 /nfs/dbraw/zinc/60/78/22/1072607822.db2.gz JZESDWDSANWZBM-FMCLSXCISA-N 1 2 386.412 -0.876 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001022013832 1072607817 /nfs/dbraw/zinc/60/78/17/1072607817.db2.gz JZESDWDSANWZBM-FMCLSXCISA-N 1 2 386.412 -0.876 20 0 GBADLO Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)n(C)c1=O ZINC001022014115 1072607730 /nfs/dbraw/zinc/60/77/30/1072607730.db2.gz KOUIWTDMZHABFO-KYEXWDHISA-N 1 2 384.440 -0.077 20 0 GBADLO Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)n(C)c1=O ZINC001022014115 1072607728 /nfs/dbraw/zinc/60/77/28/1072607728.db2.gz KOUIWTDMZHABFO-KYEXWDHISA-N 1 2 384.440 -0.077 20 0 GBADLO Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)ncc1=O ZINC001022014438 1072607373 /nfs/dbraw/zinc/60/73/73/1072607373.db2.gz XISRXRWDSFXKKU-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)ncc1=O ZINC001022014438 1072607364 /nfs/dbraw/zinc/60/73/64/1072607364.db2.gz XISRXRWDSFXKKU-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO O=C(CN1CCNC(=O)C1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022014724 1072608491 /nfs/dbraw/zinc/60/84/91/1072608491.db2.gz HYBIZCLXSMRVOY-DSJMHWKBSA-N 1 2 386.456 -0.996 20 0 GBADLO O=C(CN1CCNC(=O)C1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001022014724 1072608488 /nfs/dbraw/zinc/60/84/88/1072608488.db2.gz HYBIZCLXSMRVOY-DSJMHWKBSA-N 1 2 386.456 -0.996 20 0 GBADLO Cn1cnc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)cc1=O ZINC001022014814 1072608468 /nfs/dbraw/zinc/60/84/68/1072608468.db2.gz MSCNIVOHAZIKMH-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1cnc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)cc1=O ZINC001022014814 1072608462 /nfs/dbraw/zinc/60/84/62/1072608462.db2.gz MSCNIVOHAZIKMH-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH]nn4)C[C@H]32)O1 ZINC001022018111 1072609378 /nfs/dbraw/zinc/60/93/78/1072609378.db2.gz WNJIOKUVXZEULB-OCVGTWLNSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH]nn4)C[C@H]32)O1 ZINC001022018111 1072609372 /nfs/dbraw/zinc/60/93/72/1072609372.db2.gz WNJIOKUVXZEULB-OCVGTWLNSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4cn[nH]n4)C[C@H]32)O1 ZINC001022018111 1072609366 /nfs/dbraw/zinc/60/93/66/1072609366.db2.gz WNJIOKUVXZEULB-OCVGTWLNSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4cn[nH]n4)C[C@H]32)O1 ZINC001022018111 1072609363 /nfs/dbraw/zinc/60/93/63/1072609363.db2.gz WNJIOKUVXZEULB-OCVGTWLNSA-N 1 2 376.461 -0.484 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)O1 ZINC001022035716 1072616177 /nfs/dbraw/zinc/61/61/77/1072616177.db2.gz FYKSSWKAWBKYKK-JJXSEGSLSA-N 1 2 389.456 -0.245 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)O1 ZINC001022038509 1072616885 /nfs/dbraw/zinc/61/68/85/1072616885.db2.gz SMQXHFSWGUWSGE-XUWVNRHRSA-N 1 2 389.456 -0.422 20 0 GBADLO Cn1cnn(CC(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)c1=O ZINC001022051444 1072622779 /nfs/dbraw/zinc/62/27/79/1072622779.db2.gz ISSLNDVPUFQNFU-KYEXWDHISA-N 1 2 385.428 -0.832 20 0 GBADLO Cn1cnn(CC(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)c1=O ZINC001022051444 1072622771 /nfs/dbraw/zinc/62/27/71/1072622771.db2.gz ISSLNDVPUFQNFU-KYEXWDHISA-N 1 2 385.428 -0.832 20 0 GBADLO O=C(CN1CCCNC1=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC001022106928 1072162233 /nfs/dbraw/zinc/16/22/33/1072162233.db2.gz BTHMCQZGEPMSKA-DSJMHWKBSA-N 1 2 386.456 -0.012 20 0 GBADLO O=C(CN1CCCNC1=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC001022106928 1072162223 /nfs/dbraw/zinc/16/22/23/1072162223.db2.gz BTHMCQZGEPMSKA-DSJMHWKBSA-N 1 2 386.456 -0.012 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001022151757 1072181451 /nfs/dbraw/zinc/18/14/51/1072181451.db2.gz JEZNQVJOWPJNCB-XTWPYSKKSA-N 1 2 385.424 -0.375 20 0 GBADLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001022151757 1072181444 /nfs/dbraw/zinc/18/14/44/1072181444.db2.gz JEZNQVJOWPJNCB-XTWPYSKKSA-N 1 2 385.424 -0.375 20 0 GBADLO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]21 ZINC001022175704 1072186465 /nfs/dbraw/zinc/18/64/65/1072186465.db2.gz ZDVORCMSJBFQMR-YYIAUSFCSA-N 1 2 375.473 -0.030 20 0 GBADLO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]21 ZINC001022175704 1072186460 /nfs/dbraw/zinc/18/64/60/1072186460.db2.gz ZDVORCMSJBFQMR-YYIAUSFCSA-N 1 2 375.473 -0.030 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]21 ZINC001022212482 1072190682 /nfs/dbraw/zinc/19/06/82/1072190682.db2.gz GKCUGAHVQGFHPJ-PMOUVXMZSA-N 1 2 375.429 -0.945 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)O1 ZINC001022252406 1072196317 /nfs/dbraw/zinc/19/63/17/1072196317.db2.gz YWLAQJCQUYIMTG-LJISPDSOSA-N 1 2 375.429 -0.635 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)O1 ZINC001022278520 1072200998 /nfs/dbraw/zinc/20/09/98/1072200998.db2.gz BPRDLDVNRXOJCR-YJNKXOJESA-N 1 2 389.456 -0.175 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)O1 ZINC001022279428 1072201141 /nfs/dbraw/zinc/20/11/41/1072201141.db2.gz PNUOOOQGKDTWEL-XZDPQHSOSA-N 1 2 389.456 -0.175 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)O1 ZINC001022279968 1072201899 /nfs/dbraw/zinc/20/18/99/1072201899.db2.gz NWBZCWZVPDSDLL-JJXSEGSLSA-N 1 2 389.456 -0.245 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]21 ZINC001022314376 1072210370 /nfs/dbraw/zinc/21/03/70/1072210370.db2.gz HKZIXVHJUWHLIE-PMOUVXMZSA-N 1 2 375.429 -0.647 20 0 GBADLO O=C(CN1CCNC(=O)C1)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC001022344400 1072219036 /nfs/dbraw/zinc/21/90/36/1072219036.db2.gz DIWOGNMECRRIIN-DSJMHWKBSA-N 1 2 386.456 -0.996 20 0 GBADLO O=C(CN1CCNC(=O)C1)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC001022344400 1072219027 /nfs/dbraw/zinc/21/90/27/1072219027.db2.gz DIWOGNMECRRIIN-DSJMHWKBSA-N 1 2 386.456 -0.996 20 0 GBADLO Cn1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)ncc1=O ZINC001022363045 1072224312 /nfs/dbraw/zinc/22/43/12/1072224312.db2.gz MGRJHOWAIQMAIV-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)ncc1=O ZINC001022363045 1072224298 /nfs/dbraw/zinc/22/42/98/1072224298.db2.gz MGRJHOWAIQMAIV-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO COCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001022374385 1072227895 /nfs/dbraw/zinc/22/78/95/1072227895.db2.gz YSQGWBOUOFNAFP-HZMVEIRTSA-N 1 2 381.473 -0.428 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]21 ZINC001022378818 1072228224 /nfs/dbraw/zinc/22/82/24/1072228224.db2.gz PDKQHTHFLSFVMM-LJISPDSOSA-N 1 2 389.456 -0.555 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]21 ZINC001022391388 1072231414 /nfs/dbraw/zinc/23/14/14/1072231414.db2.gz SCGZZOWXARZOLL-DRPJVOAASA-N 1 2 389.456 -0.555 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC001022391706 1072231126 /nfs/dbraw/zinc/23/11/26/1072231126.db2.gz KEJNPDYEJOSIKO-FMCLSXCISA-N 1 2 386.412 -0.876 20 0 GBADLO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC001022391706 1072231122 /nfs/dbraw/zinc/23/11/22/1072231122.db2.gz KEJNPDYEJOSIKO-FMCLSXCISA-N 1 2 386.412 -0.876 20 0 GBADLO CS(=O)(=O)Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001022451699 1072248926 /nfs/dbraw/zinc/24/89/26/1072248926.db2.gz FMQSEWXIETXNRE-YUIFWTCNSA-N 1 2 396.469 -0.226 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001022514842 1072271670 /nfs/dbraw/zinc/27/16/70/1072271670.db2.gz RVCHAHNKOPKOSY-DSJMHWKBSA-N 1 2 384.444 -0.340 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)O1 ZINC001022522435 1072274015 /nfs/dbraw/zinc/27/40/15/1072274015.db2.gz FHCKEFBSUKNJJJ-YJNKXOJESA-N 1 2 389.456 -0.175 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)O1 ZINC001022522750 1072273828 /nfs/dbraw/zinc/27/38/28/1072273828.db2.gz JKXVBQZNINZJSY-LJISPDSOSA-N 1 2 389.456 -0.353 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001022538371 1072278235 /nfs/dbraw/zinc/27/82/35/1072278235.db2.gz MZGKTCXNCSTBPV-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)O1 ZINC001022709380 1072329123 /nfs/dbraw/zinc/32/91/23/1072329123.db2.gz DOWZGUXRCHIJFQ-LJISPDSOSA-N 1 2 389.456 -0.353 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)O1 ZINC001022710022 1072330995 /nfs/dbraw/zinc/33/09/95/1072330995.db2.gz UXWKUMADXUSSDG-DRPJVOAASA-N 1 2 389.456 -0.353 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)O1 ZINC001022710060 1072330569 /nfs/dbraw/zinc/33/05/69/1072330569.db2.gz WAHPBJIHWYBZKH-XUWVNRHRSA-N 1 2 389.456 -0.422 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001022710821 1072331734 /nfs/dbraw/zinc/33/17/34/1072331734.db2.gz FTOQPVDBYDVXDH-LJISPDSOSA-N 1 2 389.456 -0.555 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001022710968 1072332770 /nfs/dbraw/zinc/33/27/70/1072332770.db2.gz HRBHZHYULOBEGG-DRPJVOAASA-N 1 2 389.456 -0.555 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)O1 ZINC001022710998 1072330882 /nfs/dbraw/zinc/33/08/82/1072330882.db2.gz IBLXXZWNIQAZIF-RFQIPJPRSA-N 1 2 375.429 -0.566 20 0 GBADLO CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001022711252 1072332300 /nfs/dbraw/zinc/33/23/00/1072332300.db2.gz NFKDOOABYUILBJ-RFQIPJPRSA-N 1 2 389.456 -0.221 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001022711320 1072332146 /nfs/dbraw/zinc/33/21/46/1072332146.db2.gz OFGNPARENSPPFV-PMOUVXMZSA-N 1 2 375.429 -0.647 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)O1 ZINC001022711608 1072333569 /nfs/dbraw/zinc/33/35/69/1072333569.db2.gz RLAAPJBEXCRTLX-LJISPDSOSA-N 1 2 375.429 -0.635 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)O1 ZINC001022711721 1072333089 /nfs/dbraw/zinc/33/30/89/1072333089.db2.gz UTFDCYQBIPIQMP-PMOUVXMZSA-N 1 2 375.429 -0.566 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)O1 ZINC001022711721 1072333081 /nfs/dbraw/zinc/33/30/81/1072333081.db2.gz UTFDCYQBIPIQMP-PMOUVXMZSA-N 1 2 375.429 -0.566 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001022711795 1072333477 /nfs/dbraw/zinc/33/34/77/1072333477.db2.gz WUBAUHBWJYVWHX-PMOUVXMZSA-N 1 2 375.429 -0.945 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC001022732151 1072350634 /nfs/dbraw/zinc/35/06/34/1072350634.db2.gz LRPMQBIXYRUTBJ-DRPJVOAASA-N 1 2 385.468 -0.057 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]21 ZINC001022747630 1072359171 /nfs/dbraw/zinc/35/91/71/1072359171.db2.gz AGMAQSOCEIPMKC-KYEXWDHISA-N 1 2 380.470 -0.373 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001022747716 1072358910 /nfs/dbraw/zinc/35/89/10/1072358910.db2.gz CJLQWHIPGMOEDX-BVIKNXMNSA-N 1 2 387.484 -0.085 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 ZINC001022748236 1072359255 /nfs/dbraw/zinc/35/92/55/1072359255.db2.gz OSODZYIWBVCDDV-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC001022748353 1072359201 /nfs/dbraw/zinc/35/92/01/1072359201.db2.gz PWSDIIKZDFCVSV-ADSMDIBLSA-N 1 2 392.481 -0.373 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001022748431 1072358809 /nfs/dbraw/zinc/35/88/09/1072358809.db2.gz UFJUUFLNHHWPQN-DSJMHWKBSA-N 1 2 384.444 -0.340 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001022748583 1072359211 /nfs/dbraw/zinc/35/92/11/1072359211.db2.gz YXVFMCBKFLJKRG-KYEXWDHISA-N 1 2 385.428 -0.420 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH]nn4)[C@@H]3C2)O1 ZINC001022748789 1072357932 /nfs/dbraw/zinc/35/79/32/1072357932.db2.gz FMJYGNZRBMOUOO-OCVGTWLNSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH]nn4)[C@@H]3C2)O1 ZINC001022748789 1072357920 /nfs/dbraw/zinc/35/79/20/1072357920.db2.gz FMJYGNZRBMOUOO-OCVGTWLNSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4cn[nH]n4)[C@@H]3C2)O1 ZINC001022748789 1072357911 /nfs/dbraw/zinc/35/79/11/1072357911.db2.gz FMJYGNZRBMOUOO-OCVGTWLNSA-N 1 2 376.461 -0.484 20 0 GBADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4cn[nH]n4)[C@@H]3C2)O1 ZINC001022748789 1072357898 /nfs/dbraw/zinc/35/78/98/1072357898.db2.gz FMJYGNZRBMOUOO-OCVGTWLNSA-N 1 2 376.461 -0.484 20 0 GBADLO Cn1nc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)ccc1=O ZINC001022763273 1072366721 /nfs/dbraw/zinc/36/67/21/1072366721.db2.gz XIFXONPWIBPMFU-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO Cn1nc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)ccc1=O ZINC001022763273 1072366713 /nfs/dbraw/zinc/36/67/13/1072366713.db2.gz XIFXONPWIBPMFU-VPWBDBDCSA-N 1 2 382.424 -0.020 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC001022770433 1072369065 /nfs/dbraw/zinc/36/90/65/1072369065.db2.gz DXTDQCDYQMXSBR-FMCLSXCISA-N 1 2 386.412 -0.876 20 0 GBADLO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC001022770433 1072369052 /nfs/dbraw/zinc/36/90/52/1072369052.db2.gz DXTDQCDYQMXSBR-FMCLSXCISA-N 1 2 386.412 -0.876 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)O1 ZINC001022841527 1072395033 /nfs/dbraw/zinc/39/50/33/1072395033.db2.gz VAJAZOMSBINHBB-XZDPQHSOSA-N 1 2 389.456 -0.175 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)O1 ZINC001022842234 1072395286 /nfs/dbraw/zinc/39/52/86/1072395286.db2.gz DPXDBOVKYDVCJX-DRPJVOAASA-N 1 2 389.456 -0.353 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O)C1CCC1 ZINC001022872984 1072405707 /nfs/dbraw/zinc/40/57/07/1072405707.db2.gz KSXSUZHADQTMKF-VQHPVUNQSA-N 1 2 381.473 -0.646 20 0 GBADLO O=C(CC1CC1)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O ZINC001022884139 1072408833 /nfs/dbraw/zinc/40/88/33/1072408833.db2.gz PCASRDHTBFKCAY-VQHPVUNQSA-N 1 2 381.473 -0.646 20 0 GBADLO CC(C)(F)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O ZINC001022896355 1072416893 /nfs/dbraw/zinc/41/68/93/1072416893.db2.gz YCBXMDNPEZYGBA-TUVASFSCSA-N 1 2 387.452 -0.698 20 0 GBADLO CC(F)(F)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O ZINC001022900313 1072418693 /nfs/dbraw/zinc/41/86/93/1072418693.db2.gz OMXMUKXNEASWIY-SYQHCUMBSA-N 1 2 391.415 -0.791 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O)c1ccco1 ZINC001022928445 1072428970 /nfs/dbraw/zinc/42/89/70/1072428970.db2.gz VOOHGRIOOMEKAH-ANQUJSFKSA-N 1 2 393.440 -0.539 20 0 GBADLO Cc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001023029140 1072451448 /nfs/dbraw/zinc/45/14/48/1072451448.db2.gz AFKPCKZQJPKEMK-PRULPYPASA-N 1 2 376.442 -0.315 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O)c1ccc[nH]1 ZINC001023044344 1072453042 /nfs/dbraw/zinc/45/30/42/1072453042.db2.gz NGVWEQIBMLPSSC-DZUCGIPZSA-N 1 2 392.456 -0.804 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O)c1ccoc1 ZINC001023053009 1072454715 /nfs/dbraw/zinc/45/47/15/1072454715.db2.gz ZTNUMAROIOJXCY-VQHPVUNQSA-N 1 2 393.440 -0.539 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001023102167 1072462560 /nfs/dbraw/zinc/46/25/60/1072462560.db2.gz FCODQUZSTKDCIX-RRCSTGOVSA-N 1 2 384.440 -0.121 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001023118437 1072465880 /nfs/dbraw/zinc/46/58/80/1072465880.db2.gz DIYDGEURXJUYPO-DTZQCDIJSA-N 1 2 384.440 -0.121 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O)C1CC=CC1 ZINC001023249215 1072494484 /nfs/dbraw/zinc/49/44/84/1072494484.db2.gz KQTGGKNGYWVYMF-TVFCKZIOSA-N 1 2 393.484 -0.480 20 0 GBADLO O=C(C=C1CCC1)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O ZINC001023365707 1072508893 /nfs/dbraw/zinc/50/88/93/1072508893.db2.gz ACGFEUPCKPYAST-TVFCKZIOSA-N 1 2 393.484 -0.336 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O)C1=CCCC1 ZINC001023382631 1072510634 /nfs/dbraw/zinc/51/06/34/1072510634.db2.gz UNFKFZNWHKYVFI-TVFCKZIOSA-N 1 2 393.484 -0.336 20 0 GBADLO COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)on1 ZINC001023473390 1072520824 /nfs/dbraw/zinc/52/08/24/1072520824.db2.gz SUOXVBQEQBBFMT-PRULPYPASA-N 1 2 375.385 -0.478 20 0 GBADLO Cn1[nH]c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nc1=O ZINC001023507769 1072524863 /nfs/dbraw/zinc/52/48/63/1072524863.db2.gz YZJYNBCJADDPLR-ORIJERBGSA-N 1 2 379.461 -0.512 20 0 GBADLO Cn1[nH]c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nc1=O ZINC001023507769 1072524853 /nfs/dbraw/zinc/52/48/53/1072524853.db2.gz YZJYNBCJADDPLR-ORIJERBGSA-N 1 2 379.461 -0.512 20 0 GBADLO Cn1[nH]c(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nc1=O ZINC001023507770 1072524795 /nfs/dbraw/zinc/52/47/95/1072524795.db2.gz YZJYNBCJADDPLR-RZLSGREXSA-N 1 2 379.461 -0.512 20 0 GBADLO Cn1[nH]c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nc1=O ZINC001023507770 1072524787 /nfs/dbraw/zinc/52/47/87/1072524787.db2.gz YZJYNBCJADDPLR-RZLSGREXSA-N 1 2 379.461 -0.512 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 ZINC001023514222 1072525435 /nfs/dbraw/zinc/52/54/35/1072525435.db2.gz RSQMNANLSHOGGW-RGCMKSIDSA-N 1 2 378.429 -0.635 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001023626761 1072550347 /nfs/dbraw/zinc/55/03/47/1072550347.db2.gz LVUCXRVBXFESPQ-KBUPBQIOSA-N 1 2 384.440 -0.121 20 0 GBADLO CC(=O)N1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)CC1 ZINC001023661691 1072555654 /nfs/dbraw/zinc/55/56/54/1072555654.db2.gz BSLVKPFVWKNZRV-MUIFIZLQSA-N 1 2 389.456 -0.540 20 0 GBADLO CC(=O)N1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)CC1 ZINC001023661691 1072555647 /nfs/dbraw/zinc/55/56/47/1072555647.db2.gz BSLVKPFVWKNZRV-MUIFIZLQSA-N 1 2 389.456 -0.540 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001023669563 1072558889 /nfs/dbraw/zinc/55/88/89/1072558889.db2.gz OISZONKASPQQOP-IXYNUQLISA-N 1 2 385.424 -0.927 20 0 GBADLO NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)cc1 ZINC001023677884 1072561637 /nfs/dbraw/zinc/56/16/37/1072561637.db2.gz NQBXKYWPUHLRGN-RRCSTGOVSA-N 1 2 383.408 -0.386 20 0 GBADLO NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)cc1 ZINC001023677884 1072561634 /nfs/dbraw/zinc/56/16/34/1072561634.db2.gz NQBXKYWPUHLRGN-RRCSTGOVSA-N 1 2 383.408 -0.386 20 0 GBADLO Cc1csc(=O)n1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001023678253 1072561767 /nfs/dbraw/zinc/56/17/67/1072561767.db2.gz RPTCBVKZFRGFCY-HBJVGIJOSA-N 1 2 391.453 -0.567 20 0 GBADLO Cc1csc(=O)n1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001023678253 1072561758 /nfs/dbraw/zinc/56/17/58/1072561758.db2.gz RPTCBVKZFRGFCY-HBJVGIJOSA-N 1 2 391.453 -0.567 20 0 GBADLO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001023681979 1072563752 /nfs/dbraw/zinc/56/37/52/1072563752.db2.gz PUWVASVESNJQSZ-KCYZZUKISA-N 1 2 386.456 -0.206 20 0 GBADLO COc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)n1 ZINC001023702130 1072565025 /nfs/dbraw/zinc/56/50/25/1072565025.db2.gz TUAHSWGTXOWISQ-NLRBGTRBSA-N 1 2 386.412 -0.676 20 0 GBADLO Cc1cccn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c1=O ZINC001023711266 1072565067 /nfs/dbraw/zinc/56/50/67/1072565067.db2.gz WMMWPIBDYXYRQA-RRCSTGOVSA-N 1 2 385.424 -0.629 20 0 GBADLO Cc1cccn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c1=O ZINC001023711266 1072565061 /nfs/dbraw/zinc/56/50/61/1072565061.db2.gz WMMWPIBDYXYRQA-RRCSTGOVSA-N 1 2 385.424 -0.629 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001023730987 1072573425 /nfs/dbraw/zinc/57/34/25/1072573425.db2.gz BUEGCVCNDLFWLC-RGCMKSIDSA-N 1 2 392.847 -0.238 20 0 GBADLO O=C(Cn1cc(Cl)cn1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001023732024 1072572711 /nfs/dbraw/zinc/57/27/11/1072572711.db2.gz SBZAIKUZUWJDSG-HBJVGIJOSA-N 1 2 378.820 -0.249 20 0 GBADLO O=C(Cn1cc(Cl)cn1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001023732024 1072572702 /nfs/dbraw/zinc/57/27/02/1072572702.db2.gz SBZAIKUZUWJDSG-HBJVGIJOSA-N 1 2 378.820 -0.249 20 0 GBADLO Cc1ccn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c(=O)c1 ZINC001023741837 1072576650 /nfs/dbraw/zinc/57/66/50/1072576650.db2.gz DISJOUWGNWUKRH-RRCSTGOVSA-N 1 2 385.424 -0.629 20 0 GBADLO Cc1ccn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c(=O)c1 ZINC001023741837 1072576639 /nfs/dbraw/zinc/57/66/39/1072576639.db2.gz DISJOUWGNWUKRH-RRCSTGOVSA-N 1 2 385.424 -0.629 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 ZINC001023752690 1072591041 /nfs/dbraw/zinc/59/10/41/1072591041.db2.gz UUESYQMVOXYQHL-RGCMKSIDSA-N 1 2 375.454 -0.089 20 0 GBADLO CC1CCN(C(=O)C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)CC1 ZINC001023754025 1072590349 /nfs/dbraw/zinc/59/03/49/1072590349.db2.gz DVLXSVQKVHCVKQ-RRCSTGOVSA-N 1 2 389.456 -0.540 20 0 GBADLO CC1CCN(C(=O)C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)CC1 ZINC001023754025 1072590342 /nfs/dbraw/zinc/59/03/42/1072590342.db2.gz DVLXSVQKVHCVKQ-RRCSTGOVSA-N 1 2 389.456 -0.540 20 0 GBADLO COCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)no1 ZINC001023758322 1072592307 /nfs/dbraw/zinc/59/23/07/1072592307.db2.gz IJGVISWLKBBEMV-YIKOMLBNSA-N 1 2 375.385 -0.351 20 0 GBADLO COCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)no1 ZINC001023758322 1072592303 /nfs/dbraw/zinc/59/23/03/1072592303.db2.gz IJGVISWLKBBEMV-YIKOMLBNSA-N 1 2 375.385 -0.351 20 0 GBADLO COCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)no1 ZINC001023760599 1072595089 /nfs/dbraw/zinc/59/50/89/1072595089.db2.gz GGDWFPYGCOLJQA-ZNEHSRBWSA-N 1 2 389.412 -0.340 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cnc2cccnn21 ZINC001023764279 1072596205 /nfs/dbraw/zinc/59/62/05/1072596205.db2.gz YTYRHDHBOAVMJC-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cnc2cccnn21 ZINC001023764279 1072596196 /nfs/dbraw/zinc/59/61/96/1072596196.db2.gz YTYRHDHBOAVMJC-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO CN(C)c1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001023779224 1072600690 /nfs/dbraw/zinc/60/06/90/1072600690.db2.gz OSTFXCIEDCNJMZ-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001023779224 1072600684 /nfs/dbraw/zinc/60/06/84/1072600684.db2.gz OSTFXCIEDCNJMZ-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO CCc1ncncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001023819135 1072606832 /nfs/dbraw/zinc/60/68/32/1072606832.db2.gz JNLMEMHHDOYYAF-GADXADSLSA-N 1 2 384.440 -0.122 20 0 GBADLO NC(=O)c1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c1 ZINC001023827476 1072606876 /nfs/dbraw/zinc/60/68/76/1072606876.db2.gz ZJHQOGVSZMYCPL-QHSBEEBCSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c1 ZINC001023827476 1072606868 /nfs/dbraw/zinc/60/68/68/1072606868.db2.gz ZJHQOGVSZMYCPL-QHSBEEBCSA-N 1 2 384.396 -0.991 20 0 GBADLO CN(C)c1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)cn1 ZINC001023843728 1072607447 /nfs/dbraw/zinc/60/74/47/1072607447.db2.gz VXEOCIUHAHZVQB-YIKOMLBNSA-N 1 2 385.428 -0.629 20 0 GBADLO CN(C)c1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)cn1 ZINC001023843728 1072607444 /nfs/dbraw/zinc/60/74/44/1072607444.db2.gz VXEOCIUHAHZVQB-YIKOMLBNSA-N 1 2 385.428 -0.629 20 0 GBADLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@H]3O)ccn12 ZINC001023843978 1072607872 /nfs/dbraw/zinc/60/78/72/1072607872.db2.gz SWURMSOBVIZZEC-CRNXPOROSA-N 1 2 388.424 -0.252 20 0 GBADLO Cn1ncc(Cl)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001023858390 1072608725 /nfs/dbraw/zinc/60/87/25/1072608725.db2.gz BVFGWIIPTYDKDV-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1ncc(Cl)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001023858390 1072608719 /nfs/dbraw/zinc/60/87/19/1072608719.db2.gz BVFGWIIPTYDKDV-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)ncn1 ZINC001023860388 1072609683 /nfs/dbraw/zinc/60/96/83/1072609683.db2.gz CSKRNRFRYHEGRS-NLRBGTRBSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001023860698 1072609704 /nfs/dbraw/zinc/60/97/04/1072609704.db2.gz JRKZCUVPMIZGBL-BGOOENEXSA-N 1 2 392.847 -0.088 20 0 GBADLO Cn1cc(Cl)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)n1 ZINC001023875702 1072609947 /nfs/dbraw/zinc/60/99/47/1072609947.db2.gz AZWXXBVAQXIRGB-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1cc(Cl)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)n1 ZINC001023875702 1072609942 /nfs/dbraw/zinc/60/99/42/1072609942.db2.gz AZWXXBVAQXIRGB-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1cc(Cl)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)n1 ZINC001023876009 1072609925 /nfs/dbraw/zinc/60/99/25/1072609925.db2.gz HZEOEBRADRBDCF-BGOOENEXSA-N 1 2 392.847 -0.088 20 0 GBADLO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)c(C)nn1 ZINC001023889767 1072612163 /nfs/dbraw/zinc/61/21/63/1072612163.db2.gz NRNMEFBLHMXPEH-KCYZZUKISA-N 1 2 384.440 -0.068 20 0 GBADLO CC(C)c1nnnn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001023903525 1072611677 /nfs/dbraw/zinc/61/16/77/1072611677.db2.gz UVFFXNGVUNVWJJ-HBJVGIJOSA-N 1 2 388.432 -0.989 20 0 GBADLO CC(C)c1nnnn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001023903525 1072611675 /nfs/dbraw/zinc/61/16/75/1072611675.db2.gz UVFFXNGVUNVWJJ-HBJVGIJOSA-N 1 2 388.432 -0.989 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cn(C2CCC2)nn1 ZINC001023945182 1072620481 /nfs/dbraw/zinc/62/04/81/1072620481.db2.gz INIPPUGBPNXIRH-ZNEHSRBWSA-N 1 2 385.428 -0.169 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cn(C2CCC2)nn1 ZINC001023945182 1072620475 /nfs/dbraw/zinc/62/04/75/1072620475.db2.gz INIPPUGBPNXIRH-ZNEHSRBWSA-N 1 2 385.428 -0.169 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001023950945 1072622911 /nfs/dbraw/zinc/62/29/11/1072622911.db2.gz AZZNMQZDKSNDLS-QHSBEEBCSA-N 1 2 385.428 -0.726 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001023950989 1072623348 /nfs/dbraw/zinc/62/33/48/1072623348.db2.gz DLCMWJLKXRPIML-AAVRWANBSA-N 1 2 385.428 -0.726 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O ZINC001023950999 1072622814 /nfs/dbraw/zinc/62/28/14/1072622814.db2.gz DVEDEAVJZMJPJO-DTZQCDIJSA-N 1 2 384.440 -0.121 20 0 GBADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001023951275 1072623013 /nfs/dbraw/zinc/62/30/13/1072623013.db2.gz LLMGKNHQOAHRJY-KONPQCLYSA-N 1 2 385.424 -0.187 20 0 GBADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001023951326 1072622420 /nfs/dbraw/zinc/62/24/20/1072622420.db2.gz MMINKGQBLKEUGH-ADAWSYLGSA-N 1 2 385.424 -0.187 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001023951416 1072622294 /nfs/dbraw/zinc/62/22/94/1072622294.db2.gz OVBPKKQSXSSUCB-KONPQCLYSA-N 1 2 385.424 -0.256 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O ZINC001023951805 1072624774 /nfs/dbraw/zinc/62/47/74/1072624774.db2.gz WSGHGTCNHHAKFD-KBUPBQIOSA-N 1 2 384.440 -0.121 20 0 GBADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001023951812 1072624580 /nfs/dbraw/zinc/62/45/80/1072624580.db2.gz WWFIOBQHOVZAHT-FDYHWXHSSA-N 1 2 377.445 -0.710 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001023951830 1072624615 /nfs/dbraw/zinc/62/46/15/1072624615.db2.gz XQXCEKAZBWJPQB-QHSBEEBCSA-N 1 2 386.412 -0.461 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O ZINC001023951921 1072625317 /nfs/dbraw/zinc/62/53/17/1072625317.db2.gz ZHCHNBMIBTXGFO-RRCSTGOVSA-N 1 2 384.440 -0.121 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001023954716 1072628029 /nfs/dbraw/zinc/62/80/29/1072628029.db2.gz IMPSLKHIVSILHZ-NMFUWQPSSA-N 1 2 390.440 -0.765 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)c[nH+]1 ZINC001023954908 1072627908 /nfs/dbraw/zinc/62/79/08/1072627908.db2.gz LVOCWEWTJCDIGC-NMFUWQPSSA-N 1 2 391.472 -0.471 20 0 GBADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)C1 ZINC001023955264 1072626441 /nfs/dbraw/zinc/62/64/41/1072626441.db2.gz VXNBLPSCJLTPMC-YEHMFOAPSA-N 1 2 385.424 -0.221 20 0 GBADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2O)C1 ZINC001023955343 1072626425 /nfs/dbraw/zinc/62/64/25/1072626425.db2.gz XYKIKGJKZIYSDH-RGCMKSIDSA-N 1 2 385.424 -0.450 20 0 GBADLO COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)sn1 ZINC001023962466 1072630940 /nfs/dbraw/zinc/63/09/40/1072630940.db2.gz WRMVVYIYXMBUSO-PRULPYPASA-N 1 2 391.453 -0.010 20 0 GBADLO COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)sn1 ZINC001023963799 1072630908 /nfs/dbraw/zinc/63/09/08/1072630908.db2.gz ZTGVKWKJRLTOCJ-CNVPUSNMSA-N 1 2 377.426 -0.020 20 0 GBADLO COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)sn1 ZINC001023963799 1072630905 /nfs/dbraw/zinc/63/09/05/1072630905.db2.gz ZTGVKWKJRLTOCJ-CNVPUSNMSA-N 1 2 377.426 -0.020 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001023965172 1072630917 /nfs/dbraw/zinc/63/09/17/1072630917.db2.gz WZRFRHWIQCSJKW-BRXULGCHSA-N 1 2 384.440 -0.332 20 0 GBADLO CCn1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)n1 ZINC001023984046 1072641552 /nfs/dbraw/zinc/64/15/52/1072641552.db2.gz NLMUHIIZUCBOCG-KCYZZUKISA-N 1 2 386.456 -0.329 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1noc2c1COCC2 ZINC001023994334 1072642873 /nfs/dbraw/zinc/64/28/73/1072642873.db2.gz AEFZYBGEYYPPNR-DMTCVQMQSA-N 1 2 387.396 -0.424 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1noc2c1COCC2 ZINC001023994334 1072642867 /nfs/dbraw/zinc/64/28/67/1072642867.db2.gz AEFZYBGEYYPPNR-DMTCVQMQSA-N 1 2 387.396 -0.424 20 0 GBADLO NC(=O)c1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024011687 1072644560 /nfs/dbraw/zinc/64/45/60/1072644560.db2.gz COCQLZFIUXWOME-HBJVGIJOSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024011687 1072644557 /nfs/dbraw/zinc/64/45/57/1072644557.db2.gz COCQLZFIUXWOME-HBJVGIJOSA-N 1 2 384.396 -0.991 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1ccnc2[nH]cnc21 ZINC001024026080 1072646450 /nfs/dbraw/zinc/64/64/50/1072646450.db2.gz IFEMLQUMWDFXSJ-HBJVGIJOSA-N 1 2 381.396 -0.214 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1ccnc2[nH]cnc21 ZINC001024026080 1072646444 /nfs/dbraw/zinc/64/64/44/1072646444.db2.gz IFEMLQUMWDFXSJ-HBJVGIJOSA-N 1 2 381.396 -0.214 20 0 GBADLO Cc1c(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)cnn1C ZINC001024054183 1072647492 /nfs/dbraw/zinc/64/74/92/1072647492.db2.gz NHQWZTLWNWENBC-KCYZZUKISA-N 1 2 386.456 -0.504 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cc2c([nH]1)CCOC2 ZINC001024062638 1072648337 /nfs/dbraw/zinc/64/83/37/1072648337.db2.gz JIERDXCDRMQRLH-YLGOIMDESA-N 1 2 385.424 -0.084 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cc2c([nH]1)CCOC2 ZINC001024062638 1072648333 /nfs/dbraw/zinc/64/83/33/1072648333.db2.gz JIERDXCDRMQRLH-YLGOIMDESA-N 1 2 385.424 -0.084 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1ccnc2ccnn21 ZINC001024066474 1072649332 /nfs/dbraw/zinc/64/93/32/1072649332.db2.gz TVYTVZRECKKURZ-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1ccnc2ccnn21 ZINC001024066474 1072649324 /nfs/dbraw/zinc/64/93/24/1072649324.db2.gz TVYTVZRECKKURZ-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO CCn1nnc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001024069472 1072649849 /nfs/dbraw/zinc/64/98/49/1072649849.db2.gz MAYZOQSLXMZCKF-RGCMKSIDSA-N 1 2 387.444 -0.555 20 0 GBADLO Cc1cccn2cc(CC(=O)N3C[C@@H](O)[C@H](NC(=O)[C@]45C[C@H]4COC5)C3)[nH+]c12 ZINC001024076125 1072651681 /nfs/dbraw/zinc/65/16/81/1072651681.db2.gz CAHOEHJBGWVPDE-MNFOOTCESA-N 1 2 384.436 -0.090 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001024076195 1072651751 /nfs/dbraw/zinc/65/17/51/1072651751.db2.gz GUMOVGVDYZMORT-GJZVTGKDSA-N 1 2 383.408 -0.395 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001024077397 1072653121 /nfs/dbraw/zinc/65/31/21/1072653121.db2.gz SZSYNQBAMURDCX-GJZVTGKDSA-N 1 2 383.408 -0.395 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001024077418 1072652990 /nfs/dbraw/zinc/65/29/90/1072652990.db2.gz UWUBDDUBSJYGKI-MKSNKDDYSA-N 1 2 393.484 -0.644 20 0 GBADLO O=C(C[N@H+]1CCc2sccc2C1)N1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001024079955 1072653259 /nfs/dbraw/zinc/65/32/59/1072653259.db2.gz PSUCALNFAABAPR-HRLGVUPISA-N 1 2 391.493 -0.169 20 0 GBADLO O=C(C[N@@H+]1CCc2sccc2C1)N1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001024079955 1072653254 /nfs/dbraw/zinc/65/32/54/1072653254.db2.gz PSUCALNFAABAPR-HRLGVUPISA-N 1 2 391.493 -0.169 20 0 GBADLO CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)n1 ZINC001024082538 1072653813 /nfs/dbraw/zinc/65/38/13/1072653813.db2.gz DRVCLDSLDZINTO-FPQZTECRSA-N 1 2 388.432 -0.744 20 0 GBADLO CC(C)(C)n1nnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)n1 ZINC001024082538 1072653800 /nfs/dbraw/zinc/65/38/00/1072653800.db2.gz DRVCLDSLDZINTO-FPQZTECRSA-N 1 2 388.432 -0.744 20 0 GBADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001024082987 1072655048 /nfs/dbraw/zinc/65/50/48/1072655048.db2.gz UUSNMZZQDTXUOY-AZAGILFBSA-N 1 2 392.456 -0.746 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001024083926 1072654702 /nfs/dbraw/zinc/65/47/02/1072654702.db2.gz RGPWNTQIUJDFGV-DRRHNWJESA-N 1 2 376.457 -0.125 20 0 GBADLO CC1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2O)CC1 ZINC001024089803 1072654621 /nfs/dbraw/zinc/65/46/21/1072654621.db2.gz ZNNHXSCREFIVDP-FPCVCCKLSA-N 1 2 381.473 -0.646 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O)c1cc[nH]c1 ZINC001024102300 1072655621 /nfs/dbraw/zinc/65/56/21/1072655621.db2.gz CDGCDPDXWIXJCC-VQHPVUNQSA-N 1 2 392.456 -0.804 20 0 GBADLO NC(=O)c1csc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c1 ZINC001024143803 1072665430 /nfs/dbraw/zinc/66/54/30/1072665430.db2.gz GRNZJZMGKFRPFT-FPQZTECRSA-N 1 2 389.437 -0.325 20 0 GBADLO NC(=O)c1csc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c1 ZINC001024143803 1072665424 /nfs/dbraw/zinc/66/54/24/1072665424.db2.gz GRNZJZMGKFRPFT-FPQZTECRSA-N 1 2 389.437 -0.325 20 0 GBADLO O=C(Cn1cc(C2CC2)nn1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024151457 1072670547 /nfs/dbraw/zinc/67/05/47/1072670547.db2.gz VIHCISHPFZVVSN-CZPYZCIJSA-N 1 2 385.428 -0.630 20 0 GBADLO O=C(Cn1cc(C2CC2)nn1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024151457 1072670537 /nfs/dbraw/zinc/67/05/37/1072670537.db2.gz VIHCISHPFZVVSN-CZPYZCIJSA-N 1 2 385.428 -0.630 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001024181972 1072704178 /nfs/dbraw/zinc/70/41/78/1072704178.db2.gz ZSJPLQCNLRZKDT-RGCMKSIDSA-N 1 2 375.454 -0.089 20 0 GBADLO Cc1cc(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)cn1C ZINC001024183420 1072704060 /nfs/dbraw/zinc/70/40/60/1072704060.db2.gz WRNLKAKYFXXHIC-GADXADSLSA-N 1 2 385.424 -0.478 20 0 GBADLO Cc1cc(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)cn1C ZINC001024183420 1072704050 /nfs/dbraw/zinc/70/40/50/1072704050.db2.gz WRNLKAKYFXXHIC-GADXADSLSA-N 1 2 385.424 -0.478 20 0 GBADLO CCc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001024195289 1072705977 /nfs/dbraw/zinc/70/59/77/1072705977.db2.gz HSBMFJVADZHRKS-GADXADSLSA-N 1 2 386.456 -0.179 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1ccc2n[nH]nc2n1 ZINC001024215404 1072708894 /nfs/dbraw/zinc/70/88/94/1072708894.db2.gz WMCSUKXAAJTDEA-HFOBELJZSA-N 1 2 382.384 -0.819 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCC3)C1 ZINC001024216222 1072708494 /nfs/dbraw/zinc/70/84/94/1072708494.db2.gz HLCPZLWSGGMTCC-GKLJAUDBSA-N 1 2 384.440 -0.332 20 0 GBADLO COc1nc(C)ncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024218973 1072706863 /nfs/dbraw/zinc/70/68/63/1072706863.db2.gz AVZCVLXOFMNWTF-YIKOMLBNSA-N 1 2 386.412 -0.378 20 0 GBADLO COc1nc(C)ncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024218973 1072706853 /nfs/dbraw/zinc/70/68/53/1072706853.db2.gz AVZCVLXOFMNWTF-YIKOMLBNSA-N 1 2 386.412 -0.378 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001024221769 1072707029 /nfs/dbraw/zinc/70/70/29/1072707029.db2.gz LDZPCTNGLRGKJQ-CTWCOEIASA-N 1 2 384.440 -0.332 20 0 GBADLO CC(C)(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)nn1 ZINC001024226202 1072707859 /nfs/dbraw/zinc/70/78/59/1072707859.db2.gz OAESCTBNWBARQE-NLRBGTRBSA-N 1 2 387.444 -0.139 20 0 GBADLO CC(C)(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)nn1 ZINC001024226202 1072707852 /nfs/dbraw/zinc/70/78/52/1072707852.db2.gz OAESCTBNWBARQE-NLRBGTRBSA-N 1 2 387.444 -0.139 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001024227357 1072707926 /nfs/dbraw/zinc/70/79/26/1072707926.db2.gz FGTGZTMOIVKIBW-RGCMKSIDSA-N 1 2 380.420 -0.270 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cnn2ccncc12 ZINC001024237082 1072708794 /nfs/dbraw/zinc/70/87/94/1072708794.db2.gz KBTPPYUWPGZMKV-MMYVAXCBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cnn2ccncc12 ZINC001024237082 1072708788 /nfs/dbraw/zinc/70/87/88/1072708788.db2.gz KBTPPYUWPGZMKV-MMYVAXCBSA-N 1 2 381.396 -0.442 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001024239518 1072709805 /nfs/dbraw/zinc/70/98/05/1072709805.db2.gz VEHJZQSABCVUQP-NLRBGTRBSA-N 1 2 386.412 -0.886 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cnc2n[nH]nc2c1 ZINC001024241768 1072709819 /nfs/dbraw/zinc/70/98/19/1072709819.db2.gz TWZSATJRONRFHK-DMTCVQMQSA-N 1 2 382.384 -0.819 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cnc2n[nH]nc2c1 ZINC001024241768 1072709814 /nfs/dbraw/zinc/70/98/14/1072709814.db2.gz TWZSATJRONRFHK-DMTCVQMQSA-N 1 2 382.384 -0.819 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cnn2ncccc12 ZINC001024244453 1072709389 /nfs/dbraw/zinc/70/93/89/1072709389.db2.gz CPPTUUVJZAWHGB-MMYVAXCBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cnn2ncccc12 ZINC001024244453 1072709383 /nfs/dbraw/zinc/70/93/83/1072709383.db2.gz CPPTUUVJZAWHGB-MMYVAXCBSA-N 1 2 381.396 -0.442 20 0 GBADLO Cc1nn(C)cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001024246421 1072710803 /nfs/dbraw/zinc/71/08/03/1072710803.db2.gz QKGUSEBXOXPMLT-KCYZZUKISA-N 1 2 386.456 -0.504 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cnc2nccnc2c1 ZINC001024250539 1072710633 /nfs/dbraw/zinc/71/06/33/1072710633.db2.gz FLTQVURZLDWYEI-CZPYZCIJSA-N 1 2 393.407 -0.147 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cnc2nccnc2c1 ZINC001024250539 1072710629 /nfs/dbraw/zinc/71/06/29/1072710629.db2.gz FLTQVURZLDWYEI-CZPYZCIJSA-N 1 2 393.407 -0.147 20 0 GBADLO CN(C)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)nc1 ZINC001024269033 1072713160 /nfs/dbraw/zinc/71/31/60/1072713160.db2.gz SURBTKXQWNDQRT-BQGCOEIASA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)nc1 ZINC001024269033 1072713153 /nfs/dbraw/zinc/71/31/53/1072713153.db2.gz SURBTKXQWNDQRT-BQGCOEIASA-N 1 2 384.440 -0.024 20 0 GBADLO NC(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)n1 ZINC001024273515 1072714602 /nfs/dbraw/zinc/71/46/02/1072714602.db2.gz NNHWZTWRQDGTQD-XEQNPHJVSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)n1 ZINC001024273515 1072714592 /nfs/dbraw/zinc/71/45/92/1072714592.db2.gz NNHWZTWRQDGTQD-XEQNPHJVSA-N 1 2 384.396 -0.991 20 0 GBADLO COCCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024295199 1072717046 /nfs/dbraw/zinc/71/70/46/1072717046.db2.gz XHGYLGWQVZOBJZ-ZNEHSRBWSA-N 1 2 388.428 -0.642 20 0 GBADLO COCCn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024295199 1072717036 /nfs/dbraw/zinc/71/70/36/1072717036.db2.gz XHGYLGWQVZOBJZ-ZNEHSRBWSA-N 1 2 388.428 -0.642 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cnc2n[nH]cc2c1 ZINC001024306031 1072716163 /nfs/dbraw/zinc/71/61/63/1072716163.db2.gz FJJBJOKWLXCRQL-QHSBEEBCSA-N 1 2 381.396 -0.214 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cnc2n[nH]cc2c1 ZINC001024306031 1072716152 /nfs/dbraw/zinc/71/61/52/1072716152.db2.gz FJJBJOKWLXCRQL-QHSBEEBCSA-N 1 2 381.396 -0.214 20 0 GBADLO CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)[nH]n1 ZINC001024314713 1072717861 /nfs/dbraw/zinc/71/78/61/1072717861.db2.gz QCYSYZJXJFBWOF-NLRBGTRBSA-N 1 2 388.428 -0.353 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1ccc2nc[nH]c2n1 ZINC001024318018 1072717404 /nfs/dbraw/zinc/71/74/04/1072717404.db2.gz SNZMHABKTWQTCH-XEQNPHJVSA-N 1 2 381.396 -0.214 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1ccc2nc[nH]c2n1 ZINC001024318018 1072717398 /nfs/dbraw/zinc/71/73/98/1072717398.db2.gz SNZMHABKTWQTCH-XEQNPHJVSA-N 1 2 381.396 -0.214 20 0 GBADLO Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c(=O)[nH]c1C ZINC001024320086 1072717663 /nfs/dbraw/zinc/71/76/63/1072717663.db2.gz NAKSFCWDMFEKDH-HBJVGIJOSA-N 1 2 386.412 -0.785 20 0 GBADLO Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c(=O)[nH]c1C ZINC001024320086 1072717651 /nfs/dbraw/zinc/71/76/51/1072717651.db2.gz NAKSFCWDMFEKDH-HBJVGIJOSA-N 1 2 386.412 -0.785 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001024336208 1072718314 /nfs/dbraw/zinc/71/83/14/1072718314.db2.gz KZEHOGUHJBRAPQ-KCYZZUKISA-N 1 2 387.415 -0.012 20 0 GBADLO COCc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024340949 1072719497 /nfs/dbraw/zinc/71/94/97/1072719497.db2.gz AENZPLXKWGGAKX-MMYVAXCBSA-N 1 2 388.428 -0.605 20 0 GBADLO COCc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024340949 1072719493 /nfs/dbraw/zinc/71/94/93/1072719493.db2.gz AENZPLXKWGGAKX-MMYVAXCBSA-N 1 2 388.428 -0.605 20 0 GBADLO O=C(Cn1cc(C2CC2)cn1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024351034 1072724646 /nfs/dbraw/zinc/72/46/46/1072724646.db2.gz NFLVXSDIPHEFGU-MUIFIZLQSA-N 1 2 384.440 -0.025 20 0 GBADLO O=C(Cn1cc(C2CC2)cn1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024351034 1072724639 /nfs/dbraw/zinc/72/46/39/1072724639.db2.gz NFLVXSDIPHEFGU-MUIFIZLQSA-N 1 2 384.440 -0.025 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCC3)C1 ZINC001024358779 1072725537 /nfs/dbraw/zinc/72/55/37/1072725537.db2.gz VPHUMEDHVAKLJS-BRXULGCHSA-N 1 2 384.440 -0.332 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001024361189 1072720932 /nfs/dbraw/zinc/72/09/32/1072720932.db2.gz BDSSXLGXPCBWEQ-VYHVBIQSSA-N 1 2 379.413 -0.876 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)c[nH+]1 ZINC001024361509 1072721800 /nfs/dbraw/zinc/72/18/00/1072721800.db2.gz NCDUUWYTPSCWLG-YJNKXOJESA-N 1 2 380.445 -0.582 20 0 GBADLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@H]4OCCO[C@H]4C)C3)ccn12 ZINC001024363810 1072723396 /nfs/dbraw/zinc/72/33/96/1072723396.db2.gz CEFYFSRVOXYKNB-CRNXPOROSA-N 1 2 388.424 -0.252 20 0 GBADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1O ZINC001024367470 1072729795 /nfs/dbraw/zinc/72/97/95/1072729795.db2.gz VWLCJBVDXMSRII-AZAGILFBSA-N 1 2 392.456 -0.746 20 0 GBADLO CCc1c[nH]c(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)n1 ZINC001024368905 1072729982 /nfs/dbraw/zinc/72/99/82/1072729982.db2.gz SYAQGONGXHPUQS-IXYNUQLISA-N 1 2 386.456 -0.260 20 0 GBADLO CCOc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)co1 ZINC001024370930 1072730601 /nfs/dbraw/zinc/73/06/01/1072730601.db2.gz DACULBBTIZQYDS-BGOOENEXSA-N 1 2 375.385 -0.098 20 0 GBADLO CCOc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)co1 ZINC001024370930 1072730591 /nfs/dbraw/zinc/73/05/91/1072730591.db2.gz DACULBBTIZQYDS-BGOOENEXSA-N 1 2 375.385 -0.098 20 0 GBADLO O=C(Nc1ccccc1)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024371165 1072730357 /nfs/dbraw/zinc/73/03/57/1072730357.db2.gz IWCJTTXLJUCNJL-RRCSTGOVSA-N 1 2 383.408 -0.160 20 0 GBADLO O=C(Nc1ccccc1)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024371165 1072730351 /nfs/dbraw/zinc/73/03/51/1072730351.db2.gz IWCJTTXLJUCNJL-RRCSTGOVSA-N 1 2 383.408 -0.160 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024371303 1072730929 /nfs/dbraw/zinc/73/09/29/1072730929.db2.gz KSVSVXIXZWMWSH-QHSBEEBCSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024371303 1072730922 /nfs/dbraw/zinc/73/09/22/1072730922.db2.gz KSVSVXIXZWMWSH-QHSBEEBCSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024371310 1072730701 /nfs/dbraw/zinc/73/07/01/1072730701.db2.gz KVMIYHLNNZSXQD-HBJVGIJOSA-N 1 2 381.396 -0.262 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024371310 1072730693 /nfs/dbraw/zinc/73/06/93/1072730693.db2.gz KVMIYHLNNZSXQD-HBJVGIJOSA-N 1 2 381.396 -0.262 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024371594 1072730897 /nfs/dbraw/zinc/73/08/97/1072730897.db2.gz RFUUKIVKHNNXAX-YIKOMLBNSA-N 1 2 386.412 -0.506 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024371594 1072730895 /nfs/dbraw/zinc/73/08/95/1072730895.db2.gz RFUUKIVKHNNXAX-YIKOMLBNSA-N 1 2 386.412 -0.506 20 0 GBADLO NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)s1 ZINC001024371770 1072730771 /nfs/dbraw/zinc/73/07/71/1072730771.db2.gz WJEYAWYFSOUMNU-CNVPUSNMSA-N 1 2 389.437 -0.325 20 0 GBADLO NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)s1 ZINC001024371770 1072730764 /nfs/dbraw/zinc/73/07/64/1072730764.db2.gz WJEYAWYFSOUMNU-CNVPUSNMSA-N 1 2 389.437 -0.325 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024371793 1072730530 /nfs/dbraw/zinc/73/05/30/1072730530.db2.gz XNWXEMLYYHIZCF-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024371793 1072730523 /nfs/dbraw/zinc/73/05/23/1072730523.db2.gz XNWXEMLYYHIZCF-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(CN1CCCCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024371834 1072730836 /nfs/dbraw/zinc/73/08/36/1072730836.db2.gz ZHVCCNUVXJAVLJ-QHSBEEBCSA-N 1 2 375.429 -0.786 20 0 GBADLO O=C(CN1CCCCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024371834 1072730830 /nfs/dbraw/zinc/73/08/30/1072730830.db2.gz ZHVCCNUVXJAVLJ-QHSBEEBCSA-N 1 2 375.429 -0.786 20 0 GBADLO Cn1ncc(Cl)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024376285 1072725654 /nfs/dbraw/zinc/72/56/54/1072725654.db2.gz BMQGAMAYJSUITQ-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1ncc(Cl)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024376285 1072725644 /nfs/dbraw/zinc/72/56/44/1072725644.db2.gz BMQGAMAYJSUITQ-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO NC(=O)Cc1occc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024376322 1072726537 /nfs/dbraw/zinc/72/65/37/1072726537.db2.gz CXJBBCUVPLLOKF-HBJVGIJOSA-N 1 2 387.396 -0.864 20 0 GBADLO NC(=O)Cc1occc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024376322 1072726531 /nfs/dbraw/zinc/72/65/31/1072726531.db2.gz CXJBBCUVPLLOKF-HBJVGIJOSA-N 1 2 387.396 -0.864 20 0 GBADLO Cn1nc2c(c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C1)CCC2 ZINC001024376323 1072726800 /nfs/dbraw/zinc/72/68/00/1072726800.db2.gz CYBIBBUTHGGAAF-CZPYZCIJSA-N 1 2 384.440 -0.263 20 0 GBADLO Cn1nc2c(c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C1)CCC2 ZINC001024376323 1072726794 /nfs/dbraw/zinc/72/67/94/1072726794.db2.gz CYBIBBUTHGGAAF-CZPYZCIJSA-N 1 2 384.440 -0.263 20 0 GBADLO CCc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n(C)n1 ZINC001024376325 1072726765 /nfs/dbraw/zinc/72/67/65/1072726765.db2.gz CZLWOWBHSYCSTP-MUIFIZLQSA-N 1 2 386.456 -0.260 20 0 GBADLO CCc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n(C)n1 ZINC001024376325 1072726755 /nfs/dbraw/zinc/72/67/55/1072726755.db2.gz CZLWOWBHSYCSTP-MUIFIZLQSA-N 1 2 386.456 -0.260 20 0 GBADLO COCCn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001024376345 1072726388 /nfs/dbraw/zinc/72/63/88/1072726388.db2.gz FKSIYZIUKAYBSH-CZPYZCIJSA-N 1 2 388.428 -0.642 20 0 GBADLO COCCn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001024376345 1072726386 /nfs/dbraw/zinc/72/63/86/1072726386.db2.gz FKSIYZIUKAYBSH-CZPYZCIJSA-N 1 2 388.428 -0.642 20 0 GBADLO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(Cl)n1 ZINC001024376351 1072726479 /nfs/dbraw/zinc/72/64/79/1072726479.db2.gz FRKUWZBLSJQIOV-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(Cl)n1 ZINC001024376351 1072726475 /nfs/dbraw/zinc/72/64/75/1072726475.db2.gz FRKUWZBLSJQIOV-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cc1cccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1=O ZINC001024376366 1072726242 /nfs/dbraw/zinc/72/62/42/1072726242.db2.gz GFWBISSTSZIYDS-RRCSTGOVSA-N 1 2 385.424 -0.629 20 0 GBADLO Cc1cccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1=O ZINC001024376366 1072726237 /nfs/dbraw/zinc/72/62/37/1072726237.db2.gz GFWBISSTSZIYDS-RRCSTGOVSA-N 1 2 385.424 -0.629 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024376391 1072726209 /nfs/dbraw/zinc/72/62/09/1072726209.db2.gz HPXYCUXBBFKLTF-ZNEHSRBWSA-N 1 2 385.428 -0.484 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024376391 1072726200 /nfs/dbraw/zinc/72/62/00/1072726200.db2.gz HPXYCUXBBFKLTF-ZNEHSRBWSA-N 1 2 385.428 -0.484 20 0 GBADLO COc1cc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024376420 1072726913 /nfs/dbraw/zinc/72/69/13/1072726913.db2.gz IZGQBGAXLZCSNV-FPQZTECRSA-N 1 2 387.396 -0.376 20 0 GBADLO COc1cc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024376420 1072726908 /nfs/dbraw/zinc/72/69/08/1072726908.db2.gz IZGQBGAXLZCSNV-FPQZTECRSA-N 1 2 387.396 -0.376 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024376424 1072726273 /nfs/dbraw/zinc/72/62/73/1072726273.db2.gz JHKCSDBYZNOQED-HBJVGIJOSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024376424 1072726268 /nfs/dbraw/zinc/72/62/68/1072726268.db2.gz JHKCSDBYZNOQED-HBJVGIJOSA-N 1 2 381.396 -0.442 20 0 GBADLO Cn1cc(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001024376457 1072726571 /nfs/dbraw/zinc/72/65/71/1072726571.db2.gz KXQKYWCRARZMCS-RRCSTGOVSA-N 1 2 386.456 -0.088 20 0 GBADLO Cn1cc(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001024376457 1072726561 /nfs/dbraw/zinc/72/65/61/1072726561.db2.gz KXQKYWCRARZMCS-RRCSTGOVSA-N 1 2 386.456 -0.088 20 0 GBADLO COCc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)co1 ZINC001024376519 1072726654 /nfs/dbraw/zinc/72/66/54/1072726654.db2.gz NWDKQNRLYCGJMG-BGOOENEXSA-N 1 2 375.385 -0.351 20 0 GBADLO COCc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)co1 ZINC001024376519 1072726648 /nfs/dbraw/zinc/72/66/48/1072726648.db2.gz NWDKQNRLYCGJMG-BGOOENEXSA-N 1 2 375.385 -0.351 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024376521 1072726404 /nfs/dbraw/zinc/72/64/04/1072726404.db2.gz NXBPONRUXHHXMU-YIKOMLBNSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024376521 1072726400 /nfs/dbraw/zinc/72/64/00/1072726400.db2.gz NXBPONRUXHHXMU-YIKOMLBNSA-N 1 2 381.396 -0.442 20 0 GBADLO COCc1nocc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024376532 1072726380 /nfs/dbraw/zinc/72/63/80/1072726380.db2.gz OJUILZJELNMJOV-HMYIPDOQSA-N 1 2 375.385 -0.351 20 0 GBADLO COCc1nocc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024376532 1072726378 /nfs/dbraw/zinc/72/63/78/1072726378.db2.gz OJUILZJELNMJOV-HMYIPDOQSA-N 1 2 375.385 -0.351 20 0 GBADLO CCn1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)ccc1=O ZINC001024376534 1072726867 /nfs/dbraw/zinc/72/68/67/1072726867.db2.gz ONEPQQRNUPMZHA-YIKOMLBNSA-N 1 2 386.412 -0.909 20 0 GBADLO CCn1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)ccc1=O ZINC001024376534 1072726861 /nfs/dbraw/zinc/72/68/61/1072726861.db2.gz ONEPQQRNUPMZHA-YIKOMLBNSA-N 1 2 386.412 -0.909 20 0 GBADLO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nnn1C(C)C ZINC001024376543 1072726509 /nfs/dbraw/zinc/72/65/09/1072726509.db2.gz PCAQYFLPTOEGSL-QHSBEEBCSA-N 1 2 387.444 -0.004 20 0 GBADLO Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nnn1C(C)C ZINC001024376543 1072726507 /nfs/dbraw/zinc/72/65/07/1072726507.db2.gz PCAQYFLPTOEGSL-QHSBEEBCSA-N 1 2 387.444 -0.004 20 0 GBADLO COc1cc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)on1 ZINC001024376545 1072726975 /nfs/dbraw/zinc/72/69/75/1072726975.db2.gz PEBYCKIJDVRPKU-QHSBEEBCSA-N 1 2 389.412 -0.170 20 0 GBADLO COc1cc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)on1 ZINC001024376545 1072726969 /nfs/dbraw/zinc/72/69/69/1072726969.db2.gz PEBYCKIJDVRPKU-QHSBEEBCSA-N 1 2 389.412 -0.170 20 0 GBADLO COCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001024376546 1072726691 /nfs/dbraw/zinc/72/66/91/1072726691.db2.gz PFRVTNSHNKOOAW-RRCSTGOVSA-N 1 2 388.428 -0.642 20 0 GBADLO COCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001024376546 1072726686 /nfs/dbraw/zinc/72/66/86/1072726686.db2.gz PFRVTNSHNKOOAW-RRCSTGOVSA-N 1 2 388.428 -0.642 20 0 GBADLO Cn1cc(Cl)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001024376556 1072726727 /nfs/dbraw/zinc/72/67/27/1072726727.db2.gz QBMQBYQIQJXEAK-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1cc(Cl)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001024376556 1072726719 /nfs/dbraw/zinc/72/67/19/1072726719.db2.gz QBMQBYQIQJXEAK-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1Cl ZINC001024376613 1072726421 /nfs/dbraw/zinc/72/64/21/1072726421.db2.gz SNBPMFASCSLLKJ-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1Cl ZINC001024376613 1072726416 /nfs/dbraw/zinc/72/64/16/1072726416.db2.gz SNBPMFASCSLLKJ-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO CN(C)c1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001024376626 1072726840 /nfs/dbraw/zinc/72/68/40/1072726840.db2.gz TVSZHALAFZQJGQ-YIKOMLBNSA-N 1 2 385.428 -0.629 20 0 GBADLO CN(C)c1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001024376626 1072726830 /nfs/dbraw/zinc/72/68/30/1072726830.db2.gz TVSZHALAFZQJGQ-YIKOMLBNSA-N 1 2 385.428 -0.629 20 0 GBADLO Cc1c(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cnn1C ZINC001024376659 1072726463 /nfs/dbraw/zinc/72/64/63/1072726463.db2.gz VNZFQLWKEHERSG-MUIFIZLQSA-N 1 2 386.456 -0.124 20 0 GBADLO Cc1c(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cnn1C ZINC001024376659 1072726458 /nfs/dbraw/zinc/72/64/58/1072726458.db2.gz VNZFQLWKEHERSG-MUIFIZLQSA-N 1 2 386.456 -0.124 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024376675 1072726437 /nfs/dbraw/zinc/72/64/37/1072726437.db2.gz WNMSLIWIXGVPIM-YIKOMLBNSA-N 1 2 386.412 -0.506 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024376675 1072726434 /nfs/dbraw/zinc/72/64/34/1072726434.db2.gz WNMSLIWIXGVPIM-YIKOMLBNSA-N 1 2 386.412 -0.506 20 0 GBADLO Cc1nn(C)c(F)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024376727 1072727780 /nfs/dbraw/zinc/72/77/80/1072727780.db2.gz YTLVHQNIWAPSDX-FPQZTECRSA-N 1 2 376.392 -0.304 20 0 GBADLO Cc1nn(C)c(F)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024376727 1072727776 /nfs/dbraw/zinc/72/77/76/1072727776.db2.gz YTLVHQNIWAPSDX-FPQZTECRSA-N 1 2 376.392 -0.304 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024376731 1072727417 /nfs/dbraw/zinc/72/74/17/1072727417.db2.gz YVXRECDKBNFZNP-FPQZTECRSA-N 1 2 382.384 -0.819 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024376731 1072727410 /nfs/dbraw/zinc/72/74/10/1072727410.db2.gz YVXRECDKBNFZNP-FPQZTECRSA-N 1 2 382.384 -0.819 20 0 GBADLO CN(C)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nn1 ZINC001024376737 1072727729 /nfs/dbraw/zinc/72/77/29/1072727729.db2.gz ZDOHFNAOMYOZLY-YIKOMLBNSA-N 1 2 385.428 -0.629 20 0 GBADLO CN(C)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nn1 ZINC001024376737 1072727722 /nfs/dbraw/zinc/72/77/22/1072727722.db2.gz ZDOHFNAOMYOZLY-YIKOMLBNSA-N 1 2 385.428 -0.629 20 0 GBADLO O=C(Cn1cc(C2CC2)nn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024377819 1072741649 /nfs/dbraw/zinc/74/16/49/1072741649.db2.gz AIZHLXYLODWUKN-CZPYZCIJSA-N 1 2 385.428 -0.630 20 0 GBADLO O=C(Cn1cc(C2CC2)nn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024377819 1072741645 /nfs/dbraw/zinc/74/16/45/1072741645.db2.gz AIZHLXYLODWUKN-CZPYZCIJSA-N 1 2 385.428 -0.630 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024377826 1072741975 /nfs/dbraw/zinc/74/19/75/1072741975.db2.gz AJNFONKCIMJDFR-YIKOMLBNSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024377826 1072741970 /nfs/dbraw/zinc/74/19/70/1072741970.db2.gz AJNFONKCIMJDFR-YIKOMLBNSA-N 1 2 381.396 -0.442 20 0 GBADLO NC(=O)c1ccnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001024377864 1072741597 /nfs/dbraw/zinc/74/15/97/1072741597.db2.gz BOMIZCRLFHZVGG-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1ccnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001024377864 1072741593 /nfs/dbraw/zinc/74/15/93/1072741593.db2.gz BOMIZCRLFHZVGG-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO COc1cc(=O)[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024377869 1072741426 /nfs/dbraw/zinc/74/14/26/1072741426.db2.gz BSHBMFMZDVGXHX-DMTCVQMQSA-N 1 2 387.396 -0.376 20 0 GBADLO COc1cc(=O)[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024377869 1072741413 /nfs/dbraw/zinc/74/14/13/1072741413.db2.gz BSHBMFMZDVGXHX-DMTCVQMQSA-N 1 2 387.396 -0.376 20 0 GBADLO Cc1cc(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)no1 ZINC001024377895 1072742077 /nfs/dbraw/zinc/74/20/77/1072742077.db2.gz CSLXNBSOIYPABF-HBJVGIJOSA-N 1 2 375.385 -0.423 20 0 GBADLO Cc1cc(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)no1 ZINC001024377895 1072742072 /nfs/dbraw/zinc/74/20/72/1072742072.db2.gz CSLXNBSOIYPABF-HBJVGIJOSA-N 1 2 375.385 -0.423 20 0 GBADLO NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC001024377924 1072741942 /nfs/dbraw/zinc/74/19/42/1072741942.db2.gz DDWGWKCHHNGKPJ-RRCSTGOVSA-N 1 2 383.408 -0.386 20 0 GBADLO NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001024377924 1072741937 /nfs/dbraw/zinc/74/19/37/1072741937.db2.gz DDWGWKCHHNGKPJ-RRCSTGOVSA-N 1 2 383.408 -0.386 20 0 GBADLO COCCn1nccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024377927 1072741510 /nfs/dbraw/zinc/74/15/10/1072741510.db2.gz DFEAUHKWGRUOIT-ZNEHSRBWSA-N 1 2 388.428 -0.642 20 0 GBADLO COCCn1nccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024377927 1072741508 /nfs/dbraw/zinc/74/15/08/1072741508.db2.gz DFEAUHKWGRUOIT-ZNEHSRBWSA-N 1 2 388.428 -0.642 20 0 GBADLO Cc1nn(C)cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024377940 1072742012 /nfs/dbraw/zinc/74/20/12/1072742012.db2.gz DOLORGCXWVCBCE-MUIFIZLQSA-N 1 2 386.456 -0.124 20 0 GBADLO Cc1nn(C)cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024377940 1072742008 /nfs/dbraw/zinc/74/20/08/1072742008.db2.gz DOLORGCXWVCBCE-MUIFIZLQSA-N 1 2 386.456 -0.124 20 0 GBADLO CN(C)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)ccn1 ZINC001024377984 1072741862 /nfs/dbraw/zinc/74/18/62/1072741862.db2.gz FXAVZHYKEPDREW-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)ccn1 ZINC001024377984 1072741855 /nfs/dbraw/zinc/74/18/55/1072741855.db2.gz FXAVZHYKEPDREW-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO CC(=O)N1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001024378034 1072741582 /nfs/dbraw/zinc/74/15/82/1072741582.db2.gz GBOASLCVFFKPNA-MUIFIZLQSA-N 1 2 389.456 -0.540 20 0 GBADLO CC(=O)N1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001024378034 1072741580 /nfs/dbraw/zinc/74/15/80/1072741580.db2.gz GBOASLCVFFKPNA-MUIFIZLQSA-N 1 2 389.456 -0.540 20 0 GBADLO COc1cccnc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378110 1072742238 /nfs/dbraw/zinc/74/22/38/1072742238.db2.gz HJUJNRITJHTSSJ-CZPYZCIJSA-N 1 2 385.424 -0.153 20 0 GBADLO COc1cccnc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378110 1072742232 /nfs/dbraw/zinc/74/22/32/1072742232.db2.gz HJUJNRITJHTSSJ-CZPYZCIJSA-N 1 2 385.424 -0.153 20 0 GBADLO Cn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(Cl)n1 ZINC001024378122 1072741470 /nfs/dbraw/zinc/74/14/70/1072741470.db2.gz HLMPGSXHQNOCQB-HBJVGIJOSA-N 1 2 392.847 -0.169 20 0 GBADLO Cn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(Cl)n1 ZINC001024378122 1072741463 /nfs/dbraw/zinc/74/14/63/1072741463.db2.gz HLMPGSXHQNOCQB-HBJVGIJOSA-N 1 2 392.847 -0.169 20 0 GBADLO NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001024378177 1072741736 /nfs/dbraw/zinc/74/17/36/1072741736.db2.gz IOCWUKDLUHCWNE-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001024378177 1072741725 /nfs/dbraw/zinc/74/17/25/1072741725.db2.gz IOCWUKDLUHCWNE-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001024378179 1072741559 /nfs/dbraw/zinc/74/15/59/1072741559.db2.gz IOLRVGBOMKFCDF-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001024378179 1072741555 /nfs/dbraw/zinc/74/15/55/1072741555.db2.gz IOLRVGBOMKFCDF-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO CCOc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001024378199 1072743638 /nfs/dbraw/zinc/74/36/38/1072743638.db2.gz IYDWITMWVYJFPZ-YIKOMLBNSA-N 1 2 386.412 -0.296 20 0 GBADLO CCOc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001024378199 1072743634 /nfs/dbraw/zinc/74/36/34/1072743634.db2.gz IYDWITMWVYJFPZ-YIKOMLBNSA-N 1 2 386.412 -0.296 20 0 GBADLO CN(C)c1ccnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001024378210 1072743058 /nfs/dbraw/zinc/74/30/58/1072743058.db2.gz JDZBSJCITCSGOA-BQGCOEIASA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1ccnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001024378210 1072743051 /nfs/dbraw/zinc/74/30/51/1072743051.db2.gz JDZBSJCITCSGOA-BQGCOEIASA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001024378239 1072742644 /nfs/dbraw/zinc/74/26/44/1072742644.db2.gz JVKVNIUGKWYKNS-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001024378239 1072742638 /nfs/dbraw/zinc/74/26/38/1072742638.db2.gz JVKVNIUGKWYKNS-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024378308 1072742914 /nfs/dbraw/zinc/74/29/14/1072742914.db2.gz LANIXYURDUGWIM-YLGOIMDESA-N 1 2 385.424 -0.084 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024378308 1072742908 /nfs/dbraw/zinc/74/29/08/1072742908.db2.gz LANIXYURDUGWIM-YLGOIMDESA-N 1 2 385.424 -0.084 20 0 GBADLO COc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(C)nn1C ZINC001024378315 1072742772 /nfs/dbraw/zinc/74/27/72/1072742772.db2.gz LJKDTJKCSWJGSL-HBJVGIJOSA-N 1 2 388.428 -0.435 20 0 GBADLO COc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(C)nn1C ZINC001024378315 1072742763 /nfs/dbraw/zinc/74/27/63/1072742763.db2.gz LJKDTJKCSWJGSL-HBJVGIJOSA-N 1 2 388.428 -0.435 20 0 GBADLO Cc1csc(=O)n1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378317 1072742674 /nfs/dbraw/zinc/74/26/74/1072742674.db2.gz LMZMRUMJSUKJBE-HBJVGIJOSA-N 1 2 391.453 -0.567 20 0 GBADLO Cc1csc(=O)n1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378317 1072742666 /nfs/dbraw/zinc/74/26/66/1072742666.db2.gz LMZMRUMJSUKJBE-HBJVGIJOSA-N 1 2 391.453 -0.567 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024378326 1072743071 /nfs/dbraw/zinc/74/30/71/1072743071.db2.gz MBTTVUDWZDXATJ-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024378326 1072743070 /nfs/dbraw/zinc/74/30/70/1072743070.db2.gz MBTTVUDWZDXATJ-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1Cl ZINC001024378342 1072743810 /nfs/dbraw/zinc/74/38/10/1072743810.db2.gz MXWWBTZWBGBSEY-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1Cl ZINC001024378342 1072743803 /nfs/dbraw/zinc/74/38/03/1072743803.db2.gz MXWWBTZWBGBSEY-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO CCc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nnn1CC ZINC001024378348 1072743741 /nfs/dbraw/zinc/74/37/41/1072743741.db2.gz NDWGOUSXSHNBLG-NLRBGTRBSA-N 1 2 387.444 -0.311 20 0 GBADLO CCc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nnn1CC ZINC001024378348 1072743734 /nfs/dbraw/zinc/74/37/34/1072743734.db2.gz NDWGOUSXSHNBLG-NLRBGTRBSA-N 1 2 387.444 -0.311 20 0 GBADLO Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(=O)[nH]c1C ZINC001024378349 1072742799 /nfs/dbraw/zinc/74/27/99/1072742799.db2.gz NFOJLPNLFHAWKA-HBJVGIJOSA-N 1 2 386.412 -0.785 20 0 GBADLO Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(=O)[nH]c1C ZINC001024378349 1072742789 /nfs/dbraw/zinc/74/27/89/1072742789.db2.gz NFOJLPNLFHAWKA-HBJVGIJOSA-N 1 2 386.412 -0.785 20 0 GBADLO O=C(Cn1cc(C2CC2)cn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378361 1072743012 /nfs/dbraw/zinc/74/30/12/1072743012.db2.gz NRQIEUWRMKEVGY-MUIFIZLQSA-N 1 2 384.440 -0.025 20 0 GBADLO O=C(Cn1cc(C2CC2)cn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378361 1072743007 /nfs/dbraw/zinc/74/30/07/1072743007.db2.gz NRQIEUWRMKEVGY-MUIFIZLQSA-N 1 2 384.440 -0.025 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024378491 1072742955 /nfs/dbraw/zinc/74/29/55/1072742955.db2.gz OXVHWFFMKJOCQU-NLRBGTRBSA-N 1 2 386.412 -0.758 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024378491 1072742949 /nfs/dbraw/zinc/74/29/49/1072742949.db2.gz OXVHWFFMKJOCQU-NLRBGTRBSA-N 1 2 386.412 -0.758 20 0 GBADLO Cc1cc(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1C ZINC001024378497 1072743662 /nfs/dbraw/zinc/74/36/62/1072743662.db2.gz PEXFQEFOCHJRRA-GADXADSLSA-N 1 2 385.424 -0.478 20 0 GBADLO Cc1cc(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1C ZINC001024378497 1072743655 /nfs/dbraw/zinc/74/36/55/1072743655.db2.gz PEXFQEFOCHJRRA-GADXADSLSA-N 1 2 385.424 -0.478 20 0 GBADLO NC(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001024378500 1072743246 /nfs/dbraw/zinc/74/32/46/1072743246.db2.gz PHBFACVSYXRMFF-RRCSTGOVSA-N 1 2 383.408 -0.386 20 0 GBADLO NC(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001024378500 1072743239 /nfs/dbraw/zinc/74/32/39/1072743239.db2.gz PHBFACVSYXRMFF-RRCSTGOVSA-N 1 2 383.408 -0.386 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024378501 1072743039 /nfs/dbraw/zinc/74/30/39/1072743039.db2.gz PHSSRKIFGRKEDX-QHSBEEBCSA-N 1 2 380.420 -0.033 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024378501 1072743034 /nfs/dbraw/zinc/74/30/34/1072743034.db2.gz PHSSRKIFGRKEDX-QHSBEEBCSA-N 1 2 380.420 -0.033 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024378555 1072743610 /nfs/dbraw/zinc/74/36/10/1072743610.db2.gz RVXWMSHEAIGGAI-XEQNPHJVSA-N 1 2 381.396 -0.214 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024378555 1072743605 /nfs/dbraw/zinc/74/36/05/1072743605.db2.gz RVXWMSHEAIGGAI-XEQNPHJVSA-N 1 2 381.396 -0.214 20 0 GBADLO COc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)ccn1 ZINC001024378558 1072743316 /nfs/dbraw/zinc/74/33/16/1072743316.db2.gz RZAAJQPGLZFXDF-RRCSTGOVSA-N 1 2 385.424 -0.153 20 0 GBADLO COc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)ccn1 ZINC001024378558 1072743305 /nfs/dbraw/zinc/74/33/05/1072743305.db2.gz RZAAJQPGLZFXDF-RRCSTGOVSA-N 1 2 385.424 -0.153 20 0 GBADLO COCc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378569 1072743776 /nfs/dbraw/zinc/74/37/76/1072743776.db2.gz SLMPFXOLNBCBRV-MMYVAXCBSA-N 1 2 388.428 -0.605 20 0 GBADLO COCc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378569 1072743769 /nfs/dbraw/zinc/74/37/69/1072743769.db2.gz SLMPFXOLNBCBRV-MMYVAXCBSA-N 1 2 388.428 -0.605 20 0 GBADLO O=C(CCc1ccc(=O)[nH]c1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378691 1072742837 /nfs/dbraw/zinc/74/28/37/1072742837.db2.gz UTEFILPBSHQZPM-RRCSTGOVSA-N 1 2 385.424 -0.066 20 0 GBADLO O=C(CCc1ccc(=O)[nH]c1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378691 1072742827 /nfs/dbraw/zinc/74/28/27/1072742827.db2.gz UTEFILPBSHQZPM-RRCSTGOVSA-N 1 2 385.424 -0.066 20 0 GBADLO CC(C)(C)n1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001024378694 1072743416 /nfs/dbraw/zinc/74/34/16/1072743416.db2.gz UVUCAONOIYJDKQ-HBJVGIJOSA-N 1 2 387.444 -0.139 20 0 GBADLO CC(C)(C)n1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001024378694 1072743409 /nfs/dbraw/zinc/74/34/09/1072743409.db2.gz UVUCAONOIYJDKQ-HBJVGIJOSA-N 1 2 387.444 -0.139 20 0 GBADLO COc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001024378695 1072743090 /nfs/dbraw/zinc/74/30/90/1072743090.db2.gz UWSCAHLSIYJNRZ-MUIFIZLQSA-N 1 2 385.424 -0.153 20 0 GBADLO COc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001024378695 1072743085 /nfs/dbraw/zinc/74/30/85/1072743085.db2.gz UWSCAHLSIYJNRZ-MUIFIZLQSA-N 1 2 385.424 -0.153 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024378722 1072743119 /nfs/dbraw/zinc/74/31/19/1072743119.db2.gz WJJHIDZXGFOVLG-QHSBEEBCSA-N 1 2 381.396 -0.214 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024378722 1072743118 /nfs/dbraw/zinc/74/31/18/1072743118.db2.gz WJJHIDZXGFOVLG-QHSBEEBCSA-N 1 2 381.396 -0.214 20 0 GBADLO O=C(COC1CCOCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378736 1072743449 /nfs/dbraw/zinc/74/34/49/1072743449.db2.gz XBNCPNJRUTYXEJ-RRCSTGOVSA-N 1 2 378.429 -0.603 20 0 GBADLO O=C(COC1CCOCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378736 1072743441 /nfs/dbraw/zinc/74/34/41/1072743441.db2.gz XBNCPNJRUTYXEJ-RRCSTGOVSA-N 1 2 378.429 -0.603 20 0 GBADLO CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)S(C)(=O)=O ZINC001024378737 1072743192 /nfs/dbraw/zinc/74/31/92/1072743192.db2.gz XHZNETMZMUKDBK-FPQZTECRSA-N 1 2 384.458 -0.976 20 0 GBADLO CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)S(C)(=O)=O ZINC001024378737 1072743188 /nfs/dbraw/zinc/74/31/88/1072743188.db2.gz XHZNETMZMUKDBK-FPQZTECRSA-N 1 2 384.458 -0.976 20 0 GBADLO Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1C ZINC001024378759 1072742877 /nfs/dbraw/zinc/74/28/77/1072742877.db2.gz YNLOBWKNFKLWJN-HBJVGIJOSA-N 1 2 386.412 -0.373 20 0 GBADLO Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1C ZINC001024378759 1072742869 /nfs/dbraw/zinc/74/28/69/1072742869.db2.gz YNLOBWKNFKLWJN-HBJVGIJOSA-N 1 2 386.412 -0.373 20 0 GBADLO O=C(CN1CCCCCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378771 1072742738 /nfs/dbraw/zinc/74/27/38/1072742738.db2.gz ZAGHJVXFNLQVLS-RRCSTGOVSA-N 1 2 389.456 -0.396 20 0 GBADLO O=C(CN1CCCCCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378771 1072742732 /nfs/dbraw/zinc/74/27/32/1072742732.db2.gz ZAGHJVXFNLQVLS-RRCSTGOVSA-N 1 2 389.456 -0.396 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024378786 1072742988 /nfs/dbraw/zinc/74/29/88/1072742988.db2.gz ZOMIQBMUEWMGPA-NLRBGTRBSA-N 1 2 386.412 -0.758 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024378786 1072742978 /nfs/dbraw/zinc/74/29/78/1072742978.db2.gz ZOMIQBMUEWMGPA-NLRBGTRBSA-N 1 2 386.412 -0.758 20 0 GBADLO O=C(CCn1ccccc1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378868 1072743130 /nfs/dbraw/zinc/74/31/30/1072743130.db2.gz ACIUCAXWFWJQQG-RRCSTGOVSA-N 1 2 385.424 -0.547 20 0 GBADLO O=C(CCn1ccccc1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378868 1072743127 /nfs/dbraw/zinc/74/31/27/1072743127.db2.gz ACIUCAXWFWJQQG-RRCSTGOVSA-N 1 2 385.424 -0.547 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024378873 1072743153 /nfs/dbraw/zinc/74/31/53/1072743153.db2.gz AEIILKIDPJRBOB-CZPYZCIJSA-N 1 2 393.407 -0.147 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024378873 1072743152 /nfs/dbraw/zinc/74/31/52/1072743152.db2.gz AEIILKIDPJRBOB-CZPYZCIJSA-N 1 2 393.407 -0.147 20 0 GBADLO NC(=O)c1csc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001024378874 1072743142 /nfs/dbraw/zinc/74/31/42/1072743142.db2.gz AGKMYOLRAIOUNC-FPQZTECRSA-N 1 2 389.437 -0.325 20 0 GBADLO NC(=O)c1csc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001024378874 1072743137 /nfs/dbraw/zinc/74/31/37/1072743137.db2.gz AGKMYOLRAIOUNC-FPQZTECRSA-N 1 2 389.437 -0.325 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)sn1 ZINC001024378950 1072743583 /nfs/dbraw/zinc/74/35/83/1072743583.db2.gz CEJCTFQYJBTVQC-CNVPUSNMSA-N 1 2 377.426 -0.020 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)sn1 ZINC001024378950 1072743577 /nfs/dbraw/zinc/74/35/77/1072743577.db2.gz CEJCTFQYJBTVQC-CNVPUSNMSA-N 1 2 377.426 -0.020 20 0 GBADLO CC(C)(C)n1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nn1 ZINC001024378996 1072743214 /nfs/dbraw/zinc/74/32/14/1072743214.db2.gz DNELZHAXXFIBEJ-NLRBGTRBSA-N 1 2 387.444 -0.139 20 0 GBADLO CC(C)(C)n1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nn1 ZINC001024378996 1072743210 /nfs/dbraw/zinc/74/32/10/1072743210.db2.gz DNELZHAXXFIBEJ-NLRBGTRBSA-N 1 2 387.444 -0.139 20 0 GBADLO COCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)no1 ZINC001024379011 1072743273 /nfs/dbraw/zinc/74/32/73/1072743273.db2.gz FPSZBJJDKBOEFZ-YIKOMLBNSA-N 1 2 375.385 -0.351 20 0 GBADLO COCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)no1 ZINC001024379011 1072743271 /nfs/dbraw/zinc/74/32/71/1072743271.db2.gz FPSZBJJDKBOEFZ-YIKOMLBNSA-N 1 2 375.385 -0.351 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024379014 1072743377 /nfs/dbraw/zinc/74/33/77/1072743377.db2.gz FRVZZLXBUUCIJD-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024379014 1072743369 /nfs/dbraw/zinc/74/33/69/1072743369.db2.gz FRVZZLXBUUCIJD-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024379085 1072743692 /nfs/dbraw/zinc/74/36/92/1072743692.db2.gz GJYHSXWBEHLTLV-MMYVAXCBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024379085 1072743682 /nfs/dbraw/zinc/74/36/82/1072743682.db2.gz GJYHSXWBEHLTLV-MMYVAXCBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(CCN1CCCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379103 1072743108 /nfs/dbraw/zinc/74/31/08/1072743108.db2.gz GWLWKKMYMHMMQL-QHSBEEBCSA-N 1 2 375.429 -0.786 20 0 GBADLO O=C(CCN1CCCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379103 1072743102 /nfs/dbraw/zinc/74/31/02/1072743102.db2.gz GWLWKKMYMHMMQL-QHSBEEBCSA-N 1 2 375.429 -0.786 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024379169 1072743172 /nfs/dbraw/zinc/74/31/72/1072743172.db2.gz IEWQIOWGFOAETQ-ZNEHSRBWSA-N 1 2 385.428 -0.169 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024379169 1072743163 /nfs/dbraw/zinc/74/31/63/1072743163.db2.gz IEWQIOWGFOAETQ-ZNEHSRBWSA-N 1 2 385.428 -0.169 20 0 GBADLO NC(=O)c1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379175 1072744639 /nfs/dbraw/zinc/74/46/39/1072744639.db2.gz IMLJYTAFFIOGQW-HBJVGIJOSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379175 1072744636 /nfs/dbraw/zinc/74/46/36/1072744636.db2.gz IMLJYTAFFIOGQW-HBJVGIJOSA-N 1 2 384.396 -0.991 20 0 GBADLO COc1nc(C)ncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379176 1072744939 /nfs/dbraw/zinc/74/49/39/1072744939.db2.gz IMNZKVXADAOMMZ-YIKOMLBNSA-N 1 2 386.412 -0.378 20 0 GBADLO COc1nc(C)ncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379176 1072744933 /nfs/dbraw/zinc/74/49/33/1072744933.db2.gz IMNZKVXADAOMMZ-YIKOMLBNSA-N 1 2 386.412 -0.378 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024379198 1072744548 /nfs/dbraw/zinc/74/45/48/1072744548.db2.gz JBKPRVFPKJHRDG-QHSBEEBCSA-N 1 2 376.392 -0.319 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024379198 1072744546 /nfs/dbraw/zinc/74/45/46/1072744546.db2.gz JBKPRVFPKJHRDG-QHSBEEBCSA-N 1 2 376.392 -0.319 20 0 GBADLO COc1coc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC001024379215 1072744750 /nfs/dbraw/zinc/74/47/50/1072744750.db2.gz JXRFHFDFQFVLAO-BGOOENEXSA-N 1 2 388.380 -0.523 20 0 GBADLO COc1coc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001024379215 1072744745 /nfs/dbraw/zinc/74/47/45/1072744745.db2.gz JXRFHFDFQFVLAO-BGOOENEXSA-N 1 2 388.380 -0.523 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024379216 1072745042 /nfs/dbraw/zinc/74/50/42/1072745042.db2.gz JZJPWXGJVPGHGY-DMTCVQMQSA-N 1 2 387.396 -0.424 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024379216 1072745034 /nfs/dbraw/zinc/74/50/34/1072745034.db2.gz JZJPWXGJVPGHGY-DMTCVQMQSA-N 1 2 387.396 -0.424 20 0 GBADLO O=C(Cn1cc(Cl)cn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379220 1072744659 /nfs/dbraw/zinc/74/46/59/1072744659.db2.gz KBHKXUOHUNLUKC-HBJVGIJOSA-N 1 2 378.820 -0.249 20 0 GBADLO O=C(Cn1cc(Cl)cn1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379220 1072744654 /nfs/dbraw/zinc/74/46/54/1072744654.db2.gz KBHKXUOHUNLUKC-HBJVGIJOSA-N 1 2 378.820 -0.249 20 0 GBADLO Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379221 1072744834 /nfs/dbraw/zinc/74/48/34/1072744834.db2.gz KCMVXDWUOXIZOU-MUIFIZLQSA-N 1 2 386.456 -0.206 20 0 GBADLO Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379221 1072744831 /nfs/dbraw/zinc/74/48/31/1072744831.db2.gz KCMVXDWUOXIZOU-MUIFIZLQSA-N 1 2 386.456 -0.206 20 0 GBADLO CN(C)c1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379293 1072744517 /nfs/dbraw/zinc/74/45/17/1072744517.db2.gz KWEMOXHNNHSYNF-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379293 1072744509 /nfs/dbraw/zinc/74/45/09/1072744509.db2.gz KWEMOXHNNHSYNF-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024379343 1072744276 /nfs/dbraw/zinc/74/42/76/1072744276.db2.gz LWJHINSYFHMPHR-QHSBEEBCSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024379343 1072744269 /nfs/dbraw/zinc/74/42/69/1072744269.db2.gz LWJHINSYFHMPHR-QHSBEEBCSA-N 1 2 381.396 -0.442 20 0 GBADLO CCOc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)on1 ZINC001024379350 1072744964 /nfs/dbraw/zinc/74/49/64/1072744964.db2.gz LYDPKPQYELLJEW-FPQZTECRSA-N 1 2 375.385 -0.098 20 0 GBADLO CCOc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)on1 ZINC001024379350 1072744958 /nfs/dbraw/zinc/74/49/58/1072744958.db2.gz LYDPKPQYELLJEW-FPQZTECRSA-N 1 2 375.385 -0.098 20 0 GBADLO CC(C)(C)n1nnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001024379360 1072744171 /nfs/dbraw/zinc/74/41/71/1072744171.db2.gz MATBETNHMMZQHW-FPQZTECRSA-N 1 2 388.432 -0.744 20 0 GBADLO CC(C)(C)n1nnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001024379360 1072744161 /nfs/dbraw/zinc/74/41/61/1072744161.db2.gz MATBETNHMMZQHW-FPQZTECRSA-N 1 2 388.432 -0.744 20 0 GBADLO CCc1nnsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379400 1072744616 /nfs/dbraw/zinc/74/46/16/1072744616.db2.gz NNDNTLBOLGOEIA-NRMKKVEVSA-N 1 2 376.442 -0.071 20 0 GBADLO CCc1nnsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379400 1072744608 /nfs/dbraw/zinc/74/46/08/1072744608.db2.gz NNDNTLBOLGOEIA-NRMKKVEVSA-N 1 2 376.442 -0.071 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)no1 ZINC001024379405 1072744325 /nfs/dbraw/zinc/74/43/25/1072744325.db2.gz NSKRXVCPBNRDKK-FPQZTECRSA-N 1 2 388.384 -0.864 20 0 GBADLO Cc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)no1 ZINC001024379405 1072744314 /nfs/dbraw/zinc/74/43/14/1072744314.db2.gz NSKRXVCPBNRDKK-FPQZTECRSA-N 1 2 388.384 -0.864 20 0 GBADLO Cc1nccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001024379548 1072744360 /nfs/dbraw/zinc/74/43/60/1072744360.db2.gz PHBWGGMHBZXLMN-MUIFIZLQSA-N 1 2 384.440 -0.068 20 0 GBADLO Cc1nccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001024379548 1072744351 /nfs/dbraw/zinc/74/43/51/1072744351.db2.gz PHBWGGMHBZXLMN-MUIFIZLQSA-N 1 2 384.440 -0.068 20 0 GBADLO NC(=O)c1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001024379572 1072744479 /nfs/dbraw/zinc/74/44/79/1072744479.db2.gz QDIRKUCBZSLHCX-QHSBEEBCSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001024379572 1072744475 /nfs/dbraw/zinc/74/44/75/1072744475.db2.gz QDIRKUCBZSLHCX-QHSBEEBCSA-N 1 2 384.396 -0.991 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024379618 1072744722 /nfs/dbraw/zinc/74/47/22/1072744722.db2.gz SCZPGMOVQBQVPI-HOJOPBEUSA-N 1 2 393.407 -0.147 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024379618 1072744720 /nfs/dbraw/zinc/74/47/20/1072744720.db2.gz SCZPGMOVQBQVPI-HOJOPBEUSA-N 1 2 393.407 -0.147 20 0 GBADLO CC(C)c1nnnn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379624 1072744876 /nfs/dbraw/zinc/74/48/76/1072744876.db2.gz SJHXEVKUBNZWID-HBJVGIJOSA-N 1 2 388.432 -0.989 20 0 GBADLO CC(C)c1nnnn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379624 1072744871 /nfs/dbraw/zinc/74/48/71/1072744871.db2.gz SJHXEVKUBNZWID-HBJVGIJOSA-N 1 2 388.432 -0.989 20 0 GBADLO NC(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001024379627 1072744806 /nfs/dbraw/zinc/74/48/06/1072744806.db2.gz SKHNOCUTFQFXBU-XEQNPHJVSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001024379627 1072744802 /nfs/dbraw/zinc/74/48/02/1072744802.db2.gz SKHNOCUTFQFXBU-XEQNPHJVSA-N 1 2 384.396 -0.991 20 0 GBADLO Cn1c(Cl)ncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379656 1072744707 /nfs/dbraw/zinc/74/47/07/1072744707.db2.gz UGKDJTYYOOPYCB-RUSTZOOPSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1c(Cl)ncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379656 1072744703 /nfs/dbraw/zinc/74/47/03/1072744703.db2.gz UGKDJTYYOOPYCB-RUSTZOOPSA-N 1 2 378.820 -0.098 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024379662 1072744770 /nfs/dbraw/zinc/74/47/70/1072744770.db2.gz UKRHEMXRGCJTFM-HFOBELJZSA-N 1 2 382.384 -0.819 20 0 GBADLO Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(=O)c1 ZINC001024379668 1072744245 /nfs/dbraw/zinc/74/42/45/1072744245.db2.gz UWJBGFNVQPHXPG-RRCSTGOVSA-N 1 2 385.424 -0.629 20 0 GBADLO Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(=O)c1 ZINC001024379668 1072744240 /nfs/dbraw/zinc/74/42/40/1072744240.db2.gz UWJBGFNVQPHXPG-RRCSTGOVSA-N 1 2 385.424 -0.629 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024379670 1072744426 /nfs/dbraw/zinc/74/44/26/1072744426.db2.gz UZUPJQIWBCDVLC-DMTCVQMQSA-N 1 2 382.384 -0.819 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024379670 1072744416 /nfs/dbraw/zinc/74/44/16/1072744416.db2.gz UZUPJQIWBCDVLC-DMTCVQMQSA-N 1 2 382.384 -0.819 20 0 GBADLO COc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC001024379709 1072744894 /nfs/dbraw/zinc/74/48/94/1072744894.db2.gz WYTVXHUHISBEQE-HMYIPDOQSA-N 1 2 387.396 -0.788 20 0 GBADLO COc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001024379709 1072744890 /nfs/dbraw/zinc/74/48/90/1072744890.db2.gz WYTVXHUHISBEQE-HMYIPDOQSA-N 1 2 387.396 -0.788 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024379720 1072744855 /nfs/dbraw/zinc/74/48/55/1072744855.db2.gz XHBBZBYEMFQGAN-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024379720 1072744851 /nfs/dbraw/zinc/74/48/51/1072744851.db2.gz XHBBZBYEMFQGAN-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO CC1CCN(C(=O)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001024379727 1072744920 /nfs/dbraw/zinc/74/49/20/1072744920.db2.gz XUNZZPQQXZQIOV-RRCSTGOVSA-N 1 2 389.456 -0.540 20 0 GBADLO CC1CCN(C(=O)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001024379727 1072744916 /nfs/dbraw/zinc/74/49/16/1072744916.db2.gz XUNZZPQQXZQIOV-RRCSTGOVSA-N 1 2 389.456 -0.540 20 0 GBADLO CN(C)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001024379734 1072744685 /nfs/dbraw/zinc/74/46/85/1072744685.db2.gz YGKVRJLAYWTSDU-BQGCOEIASA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001024379734 1072744678 /nfs/dbraw/zinc/74/46/78/1072744678.db2.gz YGKVRJLAYWTSDU-BQGCOEIASA-N 1 2 384.440 -0.024 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024379765 1072744997 /nfs/dbraw/zinc/74/49/97/1072744997.db2.gz ZMLUQAZDXIVQMR-MMYVAXCBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024379765 1072744991 /nfs/dbraw/zinc/74/49/91/1072744991.db2.gz ZMLUQAZDXIVQMR-MMYVAXCBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cnc2n1CCOC2 ZINC001024380383 1072744579 /nfs/dbraw/zinc/74/45/79/1072744579.db2.gz JQFMAADCWCXDOK-NLRBGTRBSA-N 1 2 386.412 -0.758 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cnc2n1CCOC2 ZINC001024380383 1072744571 /nfs/dbraw/zinc/74/45/71/1072744571.db2.gz JQFMAADCWCXDOK-NLRBGTRBSA-N 1 2 386.412 -0.758 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2O)c[nH+]1 ZINC001024383762 1072732695 /nfs/dbraw/zinc/73/26/95/1072732695.db2.gz ACZAGXIGGPLGAU-LXTVHRRPSA-N 1 2 391.472 -0.661 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2O)c[nH+]1 ZINC001024383931 1072732604 /nfs/dbraw/zinc/73/26/04/1072732604.db2.gz HGFGLOHLYOXFQP-YJNKXOJESA-N 1 2 380.445 -0.582 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2O)c[nH+]1 ZINC001024384028 1072732360 /nfs/dbraw/zinc/73/23/60/1072732360.db2.gz KUNDDDQXVJVVTE-LXTVHRRPSA-N 1 2 391.472 -0.484 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@H]2O)c[nH+]1 ZINC001024384185 1072732235 /nfs/dbraw/zinc/73/22/35/1072732235.db2.gz QBLQDDLXINWPDB-NMFUWQPSSA-N 1 2 391.472 -0.471 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1O ZINC001024385358 1072732740 /nfs/dbraw/zinc/73/27/40/1072732740.db2.gz AVLSWFHXQAYAOA-LXTVHRRPSA-N 1 2 390.440 -0.955 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1O ZINC001024385498 1072732377 /nfs/dbraw/zinc/73/23/77/1072732377.db2.gz DDLHWXBPBRMMIE-MNHMMDCCSA-N 1 2 387.436 -0.256 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1O ZINC001024385658 1072732628 /nfs/dbraw/zinc/73/26/28/1072732628.db2.gz JRXMQDIPDPIONJ-NMFUWQPSSA-N 1 2 390.440 -0.765 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1O ZINC001024386120 1072732093 /nfs/dbraw/zinc/73/20/93/1072732093.db2.gz SOXZYRNMWGVYKF-AYRXBEOTSA-N 1 2 390.440 -0.778 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1O ZINC001024386264 1072732467 /nfs/dbraw/zinc/73/24/67/1072732467.db2.gz WQADMPXRWBDHIV-IETPZCKNSA-N 1 2 375.425 -0.112 20 0 GBADLO CC(C)Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001024387128 1072733448 /nfs/dbraw/zinc/73/34/48/1072733448.db2.gz JJSGKYNPVQUREJ-DTZQCDIJSA-N 1 2 393.488 -0.371 20 0 GBADLO CC(C)Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001024387128 1072733444 /nfs/dbraw/zinc/73/34/44/1072733444.db2.gz JJSGKYNPVQUREJ-DTZQCDIJSA-N 1 2 393.488 -0.371 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1O ZINC001024389481 1072737025 /nfs/dbraw/zinc/73/70/25/1072737025.db2.gz HYPNZJVBECQWRZ-VYHVBIQSSA-N 1 2 379.413 -0.876 20 0 GBADLO CCCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n[nH]1 ZINC001024390975 1072741625 /nfs/dbraw/zinc/74/16/25/1072741625.db2.gz XWACNCCYUAQJIQ-RAEVTNRLSA-N 1 2 379.461 -0.617 20 0 GBADLO CCCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n[nH]1 ZINC001024390975 1072741621 /nfs/dbraw/zinc/74/16/21/1072741621.db2.gz XWACNCCYUAQJIQ-RAEVTNRLSA-N 1 2 379.461 -0.617 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001024401168 1072747491 /nfs/dbraw/zinc/74/74/91/1072747491.db2.gz AYRUISYOLMCJSZ-NLRBGTRBSA-N 1 2 386.412 -0.758 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001024401168 1072747477 /nfs/dbraw/zinc/74/74/77/1072747477.db2.gz AYRUISYOLMCJSZ-NLRBGTRBSA-N 1 2 386.412 -0.758 20 0 GBADLO CN(C)c1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c1 ZINC001024402536 1072748022 /nfs/dbraw/zinc/74/80/22/1072748022.db2.gz JTGFLJDQUQOOQQ-BQGCOEIASA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c1 ZINC001024402536 1072748015 /nfs/dbraw/zinc/74/80/15/1072748015.db2.gz JTGFLJDQUQOOQQ-BQGCOEIASA-N 1 2 384.440 -0.024 20 0 GBADLO NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)nc1 ZINC001024406988 1072749112 /nfs/dbraw/zinc/74/91/12/1072749112.db2.gz AZYUDLVRYGRNGL-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)nc1 ZINC001024406988 1072749103 /nfs/dbraw/zinc/74/91/03/1072749103.db2.gz AZYUDLVRYGRNGL-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@H]1O ZINC001024419710 1072750361 /nfs/dbraw/zinc/75/03/61/1072750361.db2.gz WJZNXHHBTIZOKL-KONPQCLYSA-N 1 2 385.424 -0.256 20 0 GBADLO NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)cn1 ZINC001024420922 1072749773 /nfs/dbraw/zinc/74/97/73/1072749773.db2.gz NQNGTJPWLMFQLL-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)cn1 ZINC001024420922 1072749766 /nfs/dbraw/zinc/74/97/66/1072749766.db2.gz NQNGTJPWLMFQLL-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)nn1C ZINC001024436388 1072751685 /nfs/dbraw/zinc/75/16/85/1072751685.db2.gz CXJAAJKBVHVIFS-GKLJAUDBSA-N 1 2 386.456 -0.179 20 0 GBADLO CCOc1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)cn1 ZINC001024439346 1072758437 /nfs/dbraw/zinc/75/84/37/1072758437.db2.gz UPKRRQPOYVYYJJ-YIKOMLBNSA-N 1 2 386.412 -0.296 20 0 GBADLO CCOc1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)cn1 ZINC001024439346 1072758425 /nfs/dbraw/zinc/75/84/25/1072758425.db2.gz UPKRRQPOYVYYJJ-YIKOMLBNSA-N 1 2 386.412 -0.296 20 0 GBADLO CCn1nc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)n1 ZINC001024439842 1072758359 /nfs/dbraw/zinc/75/83/59/1072758359.db2.gz HOBFKQWXZGOQIC-RGCMKSIDSA-N 1 2 387.444 -0.555 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cnn(CCF)c1 ZINC001024464608 1072767187 /nfs/dbraw/zinc/76/71/87/1072767187.db2.gz RHPDJNUCZDNNHP-QHSBEEBCSA-N 1 2 376.392 -0.319 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cnn(CCF)c1 ZINC001024464608 1072767177 /nfs/dbraw/zinc/76/71/77/1072767177.db2.gz RHPDJNUCZDNNHP-QHSBEEBCSA-N 1 2 376.392 -0.319 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCF)c2)C1 ZINC001024466255 1072770451 /nfs/dbraw/zinc/77/04/51/1072770451.db2.gz WPRBYTPTIBJIGX-IXYNUQLISA-N 1 2 390.419 -0.309 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cccc2ncnn21 ZINC001024471624 1072771991 /nfs/dbraw/zinc/77/19/91/1072771991.db2.gz NHOGRRVUENUNCO-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cccc2ncnn21 ZINC001024471624 1072771986 /nfs/dbraw/zinc/77/19/86/1072771986.db2.gz NHOGRRVUENUNCO-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001024486891 1072778187 /nfs/dbraw/zinc/77/81/87/1072778187.db2.gz BKHISUACFHHCGS-BGOOENEXSA-N 1 2 390.469 -0.061 20 0 GBADLO CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024487876 1072778502 /nfs/dbraw/zinc/77/85/02/1072778502.db2.gz NWNQGAVGAZRZBM-NRMKKVEVSA-N 1 2 376.442 -0.071 20 0 GBADLO CCc1nnsc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024487876 1072778495 /nfs/dbraw/zinc/77/84/95/1072778495.db2.gz NWNQGAVGAZRZBM-NRMKKVEVSA-N 1 2 376.442 -0.071 20 0 GBADLO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024492837 1072781942 /nfs/dbraw/zinc/78/19/42/1072781942.db2.gz KKRRRAXVOXZASY-HMTTWLPMSA-N 1 2 385.424 -0.221 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024492946 1072783109 /nfs/dbraw/zinc/78/31/09/1072783109.db2.gz MASRWXXQRRPBOW-OXUXUCFPSA-N 1 2 385.424 -0.234 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024493421 1072782858 /nfs/dbraw/zinc/78/28/58/1072782858.db2.gz QJECHVKRMIJRDY-NOXHYTERSA-N 1 2 385.424 -0.411 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001024502894 1072784559 /nfs/dbraw/zinc/78/45/59/1072784559.db2.gz UDINLXICZLHPAR-BGOOENEXSA-N 1 2 392.847 -0.088 20 0 GBADLO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c1Cl ZINC001024504721 1072785809 /nfs/dbraw/zinc/78/58/09/1072785809.db2.gz ZNUWBCRCEVRHIE-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c1Cl ZINC001024504721 1072785801 /nfs/dbraw/zinc/78/58/01/1072785801.db2.gz ZNUWBCRCEVRHIE-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO NC(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c1 ZINC001024520637 1072793015 /nfs/dbraw/zinc/79/30/15/1072793015.db2.gz GOEPJUGCZCBQMF-RRCSTGOVSA-N 1 2 383.408 -0.386 20 0 GBADLO NC(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c1 ZINC001024520637 1072793009 /nfs/dbraw/zinc/79/30/09/1072793009.db2.gz GOEPJUGCZCBQMF-RRCSTGOVSA-N 1 2 383.408 -0.386 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001024526520 1072794724 /nfs/dbraw/zinc/79/47/24/1072794724.db2.gz RQIIMCTYEQCRGU-IXYNUQLISA-N 1 2 385.424 -0.776 20 0 GBADLO CN(C)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)cn1 ZINC001024529413 1072794105 /nfs/dbraw/zinc/79/41/05/1072794105.db2.gz GNJHZMJHCIVZKQ-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)cn1 ZINC001024529413 1072794097 /nfs/dbraw/zinc/79/40/97/1072794097.db2.gz GNJHZMJHCIVZKQ-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)ccn1 ZINC001024534023 1072797161 /nfs/dbraw/zinc/79/71/61/1072797161.db2.gz AGRPDFZXSQIYLQ-IXYNUQLISA-N 1 2 385.424 -0.071 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001024543206 1072799688 /nfs/dbraw/zinc/79/96/88/1072799688.db2.gz JLLKCNXAXAXYFH-ZNEHSRBWSA-N 1 2 384.440 -0.263 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCCC2=O)C1 ZINC001024554451 1072806868 /nfs/dbraw/zinc/80/68/68/1072806868.db2.gz YOQLYOMOGAGZKC-IXYNUQLISA-N 1 2 389.456 -0.776 20 0 GBADLO O=C(CN1CCCCC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024556025 1072807098 /nfs/dbraw/zinc/80/70/98/1072807098.db2.gz WOMWBFIBRYDCAN-QHSBEEBCSA-N 1 2 375.429 -0.786 20 0 GBADLO O=C(CN1CCCCC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024556025 1072807084 /nfs/dbraw/zinc/80/70/84/1072807084.db2.gz WOMWBFIBRYDCAN-QHSBEEBCSA-N 1 2 375.429 -0.786 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001024556795 1072808510 /nfs/dbraw/zinc/80/85/10/1072808510.db2.gz YMBTVIXUCIMBHO-IXYNUQLISA-N 1 2 385.424 -0.776 20 0 GBADLO CCc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)cnn1C ZINC001024558414 1072808367 /nfs/dbraw/zinc/80/83/67/1072808367.db2.gz PFZWHLKIEBQTCT-CTWCOEIASA-N 1 2 386.456 -0.179 20 0 GBADLO O=C(C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCNC(=O)C1 ZINC001024566386 1072815552 /nfs/dbraw/zinc/81/55/52/1072815552.db2.gz NTZOIOFXFDZDDD-GNRYUNBRSA-N 1 2 390.484 -0.661 20 0 GBADLO O=C(C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCNC(=O)C1 ZINC001024566386 1072815541 /nfs/dbraw/zinc/81/55/41/1072815541.db2.gz NTZOIOFXFDZDDD-GNRYUNBRSA-N 1 2 390.484 -0.661 20 0 GBADLO O=C(C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCNC(=O)C1 ZINC001024566387 1072815580 /nfs/dbraw/zinc/81/55/80/1072815580.db2.gz NTZOIOFXFDZDDD-TVRAHDOYSA-N 1 2 390.484 -0.661 20 0 GBADLO O=C(C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCNC(=O)C1 ZINC001024566387 1072815569 /nfs/dbraw/zinc/81/55/69/1072815569.db2.gz NTZOIOFXFDZDDD-TVRAHDOYSA-N 1 2 390.484 -0.661 20 0 GBADLO NC(=O)c1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c1 ZINC001024583256 1072823207 /nfs/dbraw/zinc/82/32/07/1072823207.db2.gz HBQMRYQTWWZBPN-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO NC(=O)c1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c1 ZINC001024583256 1072823206 /nfs/dbraw/zinc/82/32/06/1072823206.db2.gz HBQMRYQTWWZBPN-YIKOMLBNSA-N 1 2 384.396 -0.991 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1ccc2nncn2c1 ZINC001024595531 1072830324 /nfs/dbraw/zinc/83/03/24/1072830324.db2.gz JCNVNNBUOXORIL-QHSBEEBCSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1ccc2nncn2c1 ZINC001024595531 1072830309 /nfs/dbraw/zinc/83/03/09/1072830309.db2.gz JCNVNNBUOXORIL-QHSBEEBCSA-N 1 2 381.396 -0.442 20 0 GBADLO COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)cn1 ZINC001024613394 1072846750 /nfs/dbraw/zinc/84/67/50/1072846750.db2.gz KPGIJZPYUGJVIY-IXYNUQLISA-N 1 2 385.424 -0.071 20 0 GBADLO Cc1cc(C)n(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)n1 ZINC001024613931 1072846495 /nfs/dbraw/zinc/84/64/95/1072846495.db2.gz CLXMTEYCCBVSJG-KCYZZUKISA-N 1 2 386.456 -0.275 20 0 GBADLO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001024626726 1072850250 /nfs/dbraw/zinc/85/02/50/1072850250.db2.gz PWAPQCFJDOQQNY-RGCMKSIDSA-N 1 2 385.424 -0.450 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001024626907 1072851025 /nfs/dbraw/zinc/85/10/25/1072851025.db2.gz UOFVJIHSDCTHOS-QVHKTLOISA-N 1 2 385.424 -0.463 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001024627180 1072852527 /nfs/dbraw/zinc/85/25/27/1072852527.db2.gz ZTEHZZHPJIGNSV-QVHKTLOISA-N 1 2 385.424 -0.640 20 0 GBADLO Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)n(C)n1 ZINC001024633150 1072852216 /nfs/dbraw/zinc/85/22/16/1072852216.db2.gz LYSPPZCOIGHOFL-KCYZZUKISA-N 1 2 386.456 -0.504 20 0 GBADLO Cn1c(Cl)ncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024641074 1072855046 /nfs/dbraw/zinc/85/50/46/1072855046.db2.gz GBODZBRPNUZTMO-RUSTZOOPSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1c(Cl)ncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024641074 1072855026 /nfs/dbraw/zinc/85/50/26/1072855026.db2.gz GBODZBRPNUZTMO-RUSTZOOPSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC001024641621 1072855181 /nfs/dbraw/zinc/85/51/81/1072855181.db2.gz OPPWMDZACHXLQA-ZHSDAYTOSA-N 1 2 392.847 -0.088 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cnc2nccn2c1 ZINC001024643174 1072856073 /nfs/dbraw/zinc/85/60/73/1072856073.db2.gz ZUOOMXOMIJWZIW-QHSBEEBCSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cnc2nccn2c1 ZINC001024643174 1072856052 /nfs/dbraw/zinc/85/60/52/1072856052.db2.gz ZUOOMXOMIJWZIW-QHSBEEBCSA-N 1 2 381.396 -0.442 20 0 GBADLO COc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)cc1=O ZINC001024644470 1072857603 /nfs/dbraw/zinc/85/76/03/1072857603.db2.gz VRNVPKYHYIJTGN-HMYIPDOQSA-N 1 2 387.396 -0.788 20 0 GBADLO COc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)cc1=O ZINC001024644470 1072857597 /nfs/dbraw/zinc/85/75/97/1072857597.db2.gz VRNVPKYHYIJTGN-HMYIPDOQSA-N 1 2 387.396 -0.788 20 0 GBADLO COc1coc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)cc1=O ZINC001024646118 1072858011 /nfs/dbraw/zinc/85/80/11/1072858011.db2.gz CKTQZVFVRHIVLC-BGOOENEXSA-N 1 2 388.380 -0.523 20 0 GBADLO COc1coc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)cc1=O ZINC001024646118 1072857999 /nfs/dbraw/zinc/85/79/99/1072857999.db2.gz CKTQZVFVRHIVLC-BGOOENEXSA-N 1 2 388.380 -0.523 20 0 GBADLO NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)s1 ZINC001024654931 1072860074 /nfs/dbraw/zinc/86/00/74/1072860074.db2.gz SDPJIMIMDFWZHO-CNVPUSNMSA-N 1 2 389.437 -0.325 20 0 GBADLO NC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)s1 ZINC001024654931 1072860068 /nfs/dbraw/zinc/86/00/68/1072860068.db2.gz SDPJIMIMDFWZHO-CNVPUSNMSA-N 1 2 389.437 -0.325 20 0 GBADLO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)nc(C)n1 ZINC001024657257 1072858749 /nfs/dbraw/zinc/85/87/49/1072858749.db2.gz DKCAWEYVJPKHHC-GKLJAUDBSA-N 1 2 384.440 -0.068 20 0 GBADLO Cc1cccn2cc(CC(=O)N[C@@H]3CN(C(=O)[C@]45C[C@H]4COC5)C[C@H]3O)[nH+]c12 ZINC001024665033 1072862918 /nfs/dbraw/zinc/86/29/18/1072862918.db2.gz UFMLSHSRLAKSDV-MNFOOTCESA-N 1 2 384.436 -0.090 20 0 GBADLO O=C(C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCNC(=O)C1 ZINC001024668446 1072864308 /nfs/dbraw/zinc/86/43/08/1072864308.db2.gz UATVLGHKYNLZRA-FPCVCCKLSA-N 1 2 378.473 -0.517 20 0 GBADLO O=C(C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCNC(=O)C1 ZINC001024668446 1072864300 /nfs/dbraw/zinc/86/43/00/1072864300.db2.gz UATVLGHKYNLZRA-FPCVCCKLSA-N 1 2 378.473 -0.517 20 0 GBADLO O=C(C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCNC(=O)C1 ZINC001024668447 1072864156 /nfs/dbraw/zinc/86/41/56/1072864156.db2.gz UATVLGHKYNLZRA-JJXSEGSLSA-N 1 2 378.473 -0.517 20 0 GBADLO O=C(C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCNC(=O)C1 ZINC001024668447 1072864146 /nfs/dbraw/zinc/86/41/46/1072864146.db2.gz UATVLGHKYNLZRA-JJXSEGSLSA-N 1 2 378.473 -0.517 20 0 GBADLO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)c(Cl)n1 ZINC001024690467 1072868882 /nfs/dbraw/zinc/86/88/82/1072868882.db2.gz WBUWDZFNRHFFGA-BGOOENEXSA-N 1 2 392.847 -0.088 20 0 GBADLO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c(Cl)n1 ZINC001024690610 1072868630 /nfs/dbraw/zinc/86/86/30/1072868630.db2.gz YIGANKPVRUIXFN-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c(Cl)n1 ZINC001024690610 1072868619 /nfs/dbraw/zinc/86/86/19/1072868619.db2.gz YIGANKPVRUIXFN-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO COCc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024691573 1072869610 /nfs/dbraw/zinc/86/96/10/1072869610.db2.gz MFQKHFVPQXZRHP-HMYIPDOQSA-N 1 2 375.385 -0.351 20 0 GBADLO COCc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024691573 1072869603 /nfs/dbraw/zinc/86/96/03/1072869603.db2.gz MFQKHFVPQXZRHP-HMYIPDOQSA-N 1 2 375.385 -0.351 20 0 GBADLO COCc1nocc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001024693408 1072869032 /nfs/dbraw/zinc/86/90/32/1072869032.db2.gz MAPYZQHQJALTJR-QQHRNGFRSA-N 1 2 389.412 -0.340 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001024695530 1072870135 /nfs/dbraw/zinc/87/01/35/1072870135.db2.gz AFZVRPKUTJPUMA-GJZVTGKDSA-N 1 2 383.408 -0.395 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001024697925 1072870937 /nfs/dbraw/zinc/87/09/37/1072870937.db2.gz LNDFTFVOXUPLJL-YYQUZTFQSA-N 1 2 385.424 -0.006 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1nnc2ccccc2n1 ZINC001024705016 1072871907 /nfs/dbraw/zinc/87/19/07/1072871907.db2.gz RUARYBMRJHZHOP-HOJOPBEUSA-N 1 2 393.407 -0.147 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1nnc2ccccc2n1 ZINC001024705016 1072871896 /nfs/dbraw/zinc/87/18/96/1072871896.db2.gz RUARYBMRJHZHOP-HOJOPBEUSA-N 1 2 393.407 -0.147 20 0 GBADLO CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)on1 ZINC001024709710 1072873290 /nfs/dbraw/zinc/87/32/90/1072873290.db2.gz UEVSQKYJQSOAPB-FPQZTECRSA-N 1 2 375.385 -0.098 20 0 GBADLO CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)on1 ZINC001024709710 1072873273 /nfs/dbraw/zinc/87/32/73/1072873273.db2.gz UEVSQKYJQSOAPB-FPQZTECRSA-N 1 2 375.385 -0.098 20 0 GBADLO CCOc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)on1 ZINC001024709755 1072872989 /nfs/dbraw/zinc/87/29/89/1072872989.db2.gz WESLQDYVDHXSSH-HKUMRIAESA-N 1 2 389.412 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001024717098 1072875913 /nfs/dbraw/zinc/87/59/13/1072875913.db2.gz CFTLHQJEMVUSOO-IXYNUQLISA-N 1 2 385.424 -0.445 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001024736406 1072880364 /nfs/dbraw/zinc/88/03/64/1072880364.db2.gz QIUOWDAIQRZIRG-HKUMRIAESA-N 1 2 387.396 -0.783 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cn2cccnc2n1 ZINC001024743791 1072881734 /nfs/dbraw/zinc/88/17/34/1072881734.db2.gz GPMKTIJUWWRNFE-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cn2cccnc2n1 ZINC001024743791 1072881723 /nfs/dbraw/zinc/88/17/23/1072881723.db2.gz GPMKTIJUWWRNFE-NLRBGTRBSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cnn2c1OCCC2 ZINC001024753114 1072883183 /nfs/dbraw/zinc/88/31/83/1072883183.db2.gz MMFBSYHKCALXSD-YIKOMLBNSA-N 1 2 386.412 -0.506 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cnn2c1OCCC2 ZINC001024753114 1072883170 /nfs/dbraw/zinc/88/31/70/1072883170.db2.gz MMFBSYHKCALXSD-YIKOMLBNSA-N 1 2 386.412 -0.506 20 0 GBADLO CCOc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)co1 ZINC001024756116 1072883837 /nfs/dbraw/zinc/88/38/37/1072883837.db2.gz MJERXYHQQKTBBM-RTWAVKEYSA-N 1 2 389.412 -0.088 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1ncnc2[nH]ccc21 ZINC001024756466 1072883539 /nfs/dbraw/zinc/88/35/39/1072883539.db2.gz SHRWQHGRPIRFNR-HBJVGIJOSA-N 1 2 381.396 -0.262 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1ncnc2[nH]ccc21 ZINC001024756466 1072883533 /nfs/dbraw/zinc/88/35/33/1072883533.db2.gz SHRWQHGRPIRFNR-HBJVGIJOSA-N 1 2 381.396 -0.262 20 0 GBADLO CCOc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)co1 ZINC001024758086 1072884873 /nfs/dbraw/zinc/88/48/73/1072884873.db2.gz ZRAVXCVSYYDZIS-BGOOENEXSA-N 1 2 375.385 -0.098 20 0 GBADLO CCOc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)co1 ZINC001024758086 1072884855 /nfs/dbraw/zinc/88/48/55/1072884855.db2.gz ZRAVXCVSYYDZIS-BGOOENEXSA-N 1 2 375.385 -0.098 20 0 GBADLO Cn1nc2c(c1C(=O)N[C@@H]1CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]1O)CCC2 ZINC001024760811 1072884508 /nfs/dbraw/zinc/88/45/08/1072884508.db2.gz IXRRSXPMOJIVDB-CZPYZCIJSA-N 1 2 384.440 -0.263 20 0 GBADLO Cn1nc2c(c1C(=O)N[C@@H]1CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]1O)CCC2 ZINC001024760811 1072884500 /nfs/dbraw/zinc/88/45/00/1072884500.db2.gz IXRRSXPMOJIVDB-CZPYZCIJSA-N 1 2 384.440 -0.263 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1O ZINC001024776941 1072888766 /nfs/dbraw/zinc/88/87/66/1072888766.db2.gz OGMMXUHLSZWVTJ-YLFCFFPRSA-N 1 2 376.457 -0.287 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001024784696 1072889484 /nfs/dbraw/zinc/88/94/84/1072889484.db2.gz WYKLZNFQSOOQCA-RGCMKSIDSA-N 1 2 386.456 -0.088 20 0 GBADLO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024791917 1072889957 /nfs/dbraw/zinc/88/99/57/1072889957.db2.gz IOILMDKOLRXXRP-FPQZTECRSA-N 1 2 387.396 -0.376 20 0 GBADLO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024791917 1072889942 /nfs/dbraw/zinc/88/99/42/1072889942.db2.gz IOILMDKOLRXXRP-FPQZTECRSA-N 1 2 387.396 -0.376 20 0 GBADLO CN(C)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)nn1 ZINC001024800446 1072892015 /nfs/dbraw/zinc/89/20/15/1072892015.db2.gz BXAWQVDMCOAYKT-YIKOMLBNSA-N 1 2 385.428 -0.629 20 0 GBADLO CN(C)c1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)nn1 ZINC001024800446 1072892005 /nfs/dbraw/zinc/89/20/05/1072892005.db2.gz BXAWQVDMCOAYKT-YIKOMLBNSA-N 1 2 385.428 -0.629 20 0 GBADLO COc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)co1 ZINC001024823194 1072894195 /nfs/dbraw/zinc/89/41/95/1072894195.db2.gz AKSWZYMVGJJGPJ-ZHSDAYTOSA-N 1 2 375.385 -0.478 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001024832303 1072894901 /nfs/dbraw/zinc/89/49/01/1072894901.db2.gz NHPMAGQAENITGT-QKPAOTATSA-N 1 2 383.408 -0.705 20 0 GBADLO Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024847639 1072895631 /nfs/dbraw/zinc/89/56/31/1072895631.db2.gz ONPWACUTWCTVLT-MUIFIZLQSA-N 1 2 386.456 -0.206 20 0 GBADLO Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024847639 1072895623 /nfs/dbraw/zinc/89/56/23/1072895623.db2.gz ONPWACUTWCTVLT-MUIFIZLQSA-N 1 2 386.456 -0.206 20 0 GBADLO Cc1nn(C)c(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001024854989 1072899609 /nfs/dbraw/zinc/89/96/09/1072899609.db2.gz MPRTZBSZCFCRQG-IXYNUQLISA-N 1 2 386.456 -0.124 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001024874765 1072902843 /nfs/dbraw/zinc/90/28/43/1072902843.db2.gz FPBTUYBGWJEZPR-PRULPYPASA-N 1 2 387.396 -0.783 20 0 GBADLO Cn1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)cc1Cl ZINC001024879026 1072904022 /nfs/dbraw/zinc/90/40/22/1072904022.db2.gz UYIZYHHFAKCGHK-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)cc1Cl ZINC001024879026 1072904014 /nfs/dbraw/zinc/90/40/14/1072904014.db2.gz UYIZYHHFAKCGHK-NRMKKVEVSA-N 1 2 378.820 -0.098 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)n(C)n2)C1 ZINC001024879045 1072904052 /nfs/dbraw/zinc/90/40/52/1072904052.db2.gz VRUCFJCWHOAYNS-BGOOENEXSA-N 1 2 392.847 -0.088 20 0 GBADLO COc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)nn1C ZINC001024883047 1072906938 /nfs/dbraw/zinc/90/69/38/1072906938.db2.gz JSQGSMSHUBLRPK-NLRBGTRBSA-N 1 2 388.428 -0.733 20 0 GBADLO COc1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)nc1 ZINC001024883379 1072907332 /nfs/dbraw/zinc/90/73/32/1072907332.db2.gz PLRKUPQEHMVCDU-RGCMKSIDSA-N 1 2 386.412 -0.676 20 0 GBADLO COCCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)n1 ZINC001024887857 1072907855 /nfs/dbraw/zinc/90/78/55/1072907855.db2.gz VHINSKNLZXGWRR-CZPYZCIJSA-N 1 2 388.428 -0.642 20 0 GBADLO COCCn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)n1 ZINC001024887857 1072907850 /nfs/dbraw/zinc/90/78/50/1072907850.db2.gz VHINSKNLZXGWRR-CZPYZCIJSA-N 1 2 388.428 -0.642 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001024888994 1072907782 /nfs/dbraw/zinc/90/77/82/1072907782.db2.gz PAXLTJOVYMXRAD-CTWCOEIASA-N 1 2 385.424 -0.776 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1ccnc2n[nH]nc21 ZINC001024891837 1072909401 /nfs/dbraw/zinc/90/94/01/1072909401.db2.gz UWXNFQZZIWHTCN-FPQZTECRSA-N 1 2 382.384 -0.819 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1ccnc2n[nH]nc21 ZINC001024891837 1072909393 /nfs/dbraw/zinc/90/93/93/1072909393.db2.gz UWXNFQZZIWHTCN-FPQZTECRSA-N 1 2 382.384 -0.819 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cc2n(n1)CCCO2 ZINC001024892485 1072908807 /nfs/dbraw/zinc/90/88/07/1072908807.db2.gz HPARFTONONFYSP-YIKOMLBNSA-N 1 2 386.412 -0.506 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cc2n(n1)CCCO2 ZINC001024892485 1072908795 /nfs/dbraw/zinc/90/87/95/1072908795.db2.gz HPARFTONONFYSP-YIKOMLBNSA-N 1 2 386.412 -0.506 20 0 GBADLO COc1nccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)n1 ZINC001024894277 1072909792 /nfs/dbraw/zinc/90/97/92/1072909792.db2.gz LILBRXIUWQMVMN-NLRBGTRBSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001024899213 1072911690 /nfs/dbraw/zinc/91/16/90/1072911690.db2.gz IANVYZYWHYGCOH-NNFUDEMPSA-N 1 2 376.457 0.000 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001024899779 1072911539 /nfs/dbraw/zinc/91/15/39/1072911539.db2.gz WDNPYPLGMQTFLV-GPINWOSQSA-N 1 2 376.457 0.000 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001024907367 1072915833 /nfs/dbraw/zinc/91/58/33/1072915833.db2.gz HWUQPJIEKIEBLK-YLFCFFPRSA-N 1 2 376.457 -0.287 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001024907803 1072916552 /nfs/dbraw/zinc/91/65/52/1072916552.db2.gz GHPAWPRECMNNJQ-GHHZWIFUSA-N 1 2 376.457 -0.144 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001024908151 1072916388 /nfs/dbraw/zinc/91/63/88/1072916388.db2.gz OFADGROWUZODHE-PQHDGLIZSA-N 1 2 376.457 -0.144 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001024918172 1072922094 /nfs/dbraw/zinc/92/20/94/1072922094.db2.gz BHNKNJHPXSQOGW-MNHMMDCCSA-N 1 2 387.436 -0.256 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccn(C)c2=O)C1 ZINC001024920325 1072922294 /nfs/dbraw/zinc/92/22/94/1072922294.db2.gz RWQUGRDMKBNXBJ-IXYNUQLISA-N 1 2 385.424 -0.776 20 0 GBADLO COc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001024949859 1072931183 /nfs/dbraw/zinc/93/11/83/1072931183.db2.gz RLRAKVDNYSXTMH-RGCMKSIDSA-N 1 2 385.424 -0.071 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001024952925 1072931329 /nfs/dbraw/zinc/93/13/29/1072931329.db2.gz OUFXINKBDRBUDC-NLRBGTRBSA-N 1 2 383.412 -0.499 20 0 GBADLO COc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)cnn1C ZINC001024965736 1072933561 /nfs/dbraw/zinc/93/35/61/1072933561.db2.gz SCBYUZFSNQJKAS-NLRBGTRBSA-N 1 2 388.428 -0.733 20 0 GBADLO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c1C ZINC001024977884 1072936012 /nfs/dbraw/zinc/93/60/12/1072936012.db2.gz BZOQIMKHDIAZDQ-HBJVGIJOSA-N 1 2 386.412 -0.373 20 0 GBADLO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c1C ZINC001024977884 1072936002 /nfs/dbraw/zinc/93/60/02/1072936002.db2.gz BZOQIMKHDIAZDQ-HBJVGIJOSA-N 1 2 386.412 -0.373 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cnn2cccnc12 ZINC001024983313 1072936987 /nfs/dbraw/zinc/93/69/87/1072936987.db2.gz LEZPASXXNGOPQG-YIKOMLBNSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cnn2cccnc12 ZINC001024983313 1072936981 /nfs/dbraw/zinc/93/69/81/1072936981.db2.gz LEZPASXXNGOPQG-YIKOMLBNSA-N 1 2 381.396 -0.442 20 0 GBADLO COc1ccnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)c1 ZINC001024990054 1072938334 /nfs/dbraw/zinc/93/83/34/1072938334.db2.gz FSLFAXXAVKXUQM-GKLJAUDBSA-N 1 2 385.424 -0.071 20 0 GBADLO COc1nn(C)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001024997744 1072940959 /nfs/dbraw/zinc/94/09/59/1072940959.db2.gz XTMLQGZQUDNHKE-NLRBGTRBSA-N 1 2 388.428 -0.733 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001025041535 1072953897 /nfs/dbraw/zinc/95/38/97/1072953897.db2.gz FGGAWVSUJOVJHZ-ADAWSYLGSA-N 1 2 376.457 -0.144 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001025043039 1072955334 /nfs/dbraw/zinc/95/53/34/1072955334.db2.gz BYKPEUWVDROZKY-KONPQCLYSA-N 1 2 376.457 -0.144 20 0 GBADLO Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)c(C)[nH+]1 ZINC001025044236 1072956964 /nfs/dbraw/zinc/95/69/64/1072956964.db2.gz SVHDTZDLEITLMQ-APIJFGDWSA-N 1 2 390.440 -0.659 20 0 GBADLO CCc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)n(C)n1 ZINC001025050295 1072961918 /nfs/dbraw/zinc/96/19/18/1072961918.db2.gz CFLHAPOLIURELI-MUIFIZLQSA-N 1 2 386.456 -0.260 20 0 GBADLO CCc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)n(C)n1 ZINC001025050295 1072961913 /nfs/dbraw/zinc/96/19/13/1072961913.db2.gz CFLHAPOLIURELI-MUIFIZLQSA-N 1 2 386.456 -0.260 20 0 GBADLO C/C=C(/C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025054906 1072963204 /nfs/dbraw/zinc/96/32/04/1072963204.db2.gz BLGNRWJLTIQSRH-GDZBOKBBSA-N 1 2 381.473 -0.480 20 0 GBADLO C/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025054908 1072963278 /nfs/dbraw/zinc/96/32/78/1072963278.db2.gz BLGNRWJLTIQSRH-SPVXXIOXSA-N 1 2 381.473 -0.480 20 0 GBADLO CC(C)=CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025054973 1072963160 /nfs/dbraw/zinc/96/31/60/1072963160.db2.gz CZOGPODHIQOSRC-VQHPVUNQSA-N 1 2 381.473 -0.480 20 0 GBADLO O=C(/C=C/C1CC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025055001 1072963664 /nfs/dbraw/zinc/96/36/64/1072963664.db2.gz FQBJXDKVUOEDGP-LDPXVPKCSA-N 1 2 393.484 -0.480 20 0 GBADLO O=C(/C=C\C1CC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025055002 1072963182 /nfs/dbraw/zinc/96/31/82/1072963182.db2.gz FQBJXDKVUOEDGP-XZQDDACVSA-N 1 2 393.484 -0.480 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025055068 1072963528 /nfs/dbraw/zinc/96/35/28/1072963528.db2.gz GFOKACCZLZLRSJ-TVFCKZIOSA-N 1 2 393.484 -0.480 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccco2)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025055100 1072963800 /nfs/dbraw/zinc/96/38/00/1072963800.db2.gz GQZWLVPJTNJIDI-FPCVCCKLSA-N 1 2 393.440 -0.539 20 0 GBADLO CC(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025055162 1072963616 /nfs/dbraw/zinc/96/36/16/1072963616.db2.gz HSDZVFGMDIVXSW-VQHPVUNQSA-N 1 2 383.489 -0.400 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)C2CCC2)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025055181 1072963510 /nfs/dbraw/zinc/96/35/10/1072963510.db2.gz JBSOQYDJRDVHLY-VQHPVUNQSA-N 1 2 381.473 -0.646 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025055402 1072963068 /nfs/dbraw/zinc/96/30/68/1072963068.db2.gz MWDBQTXKRBFWAF-VQHPVUNQSA-N 1 2 392.456 -0.804 20 0 GBADLO O=C(C=C1CCC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025055415 1072964338 /nfs/dbraw/zinc/96/43/38/1072964338.db2.gz NESWFMKUGMXZOB-TVFCKZIOSA-N 1 2 393.484 -0.336 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025055552 1072964561 /nfs/dbraw/zinc/96/45/61/1072964561.db2.gz PCFSUKADXVUUIN-DZUCGIPZSA-N 1 2 392.456 -0.804 20 0 GBADLO CC(C)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025055598 1072964068 /nfs/dbraw/zinc/96/40/68/1072964068.db2.gz QGNRDEFPDGULKE-TUVASFSCSA-N 1 2 387.452 -0.698 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025055622 1072964347 /nfs/dbraw/zinc/96/43/47/1072964347.db2.gz RDZAWMPUVDUTNC-VQHPVUNQSA-N 1 2 393.440 -0.539 20 0 GBADLO O=C(CC1CC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025055641 1072964357 /nfs/dbraw/zinc/96/43/57/1072964357.db2.gz RTJHKGYPZFDJJT-VQHPVUNQSA-N 1 2 381.473 -0.646 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025055855 1072964182 /nfs/dbraw/zinc/96/41/82/1072964182.db2.gz VSGLVHIQHREVMK-TVFCKZIOSA-N 1 2 393.484 -0.336 20 0 GBADLO CC(F)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025055876 1072964307 /nfs/dbraw/zinc/96/43/07/1072964307.db2.gz VZGIYSUNJDVCLD-SYQHCUMBSA-N 1 2 391.415 -0.791 20 0 GBADLO CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)CC1 ZINC001025055905 1072964587 /nfs/dbraw/zinc/96/45/87/1072964587.db2.gz WWHJVLQUSUOPJP-FPCVCCKLSA-N 1 2 381.473 -0.646 20 0 GBADLO CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025056023 1072965260 /nfs/dbraw/zinc/96/52/60/1072965260.db2.gz ZFJUJBLCJVOAOI-FPCVCCKLSA-N 1 2 383.489 -0.400 20 0 GBADLO CCn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)nn1 ZINC001025058233 1072965274 /nfs/dbraw/zinc/96/52/74/1072965274.db2.gz VIEOTENFKOCGAJ-IXYNUQLISA-N 1 2 387.444 -0.934 20 0 GBADLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1O ZINC001025059351 1072967150 /nfs/dbraw/zinc/96/71/50/1072967150.db2.gz OCGQQMMWPXNCKX-RGCMKSIDSA-N 1 2 386.456 -0.088 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001025059488 1072966020 /nfs/dbraw/zinc/96/60/20/1072966020.db2.gz RFUBYPCRGPTAAD-IXYNUQLISA-N 1 2 386.456 -0.422 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001025061270 1072970223 /nfs/dbraw/zinc/97/02/23/1072970223.db2.gz YFQOTWRPHMKZRQ-KCYZZUKISA-N 1 2 386.456 -0.422 20 0 GBADLO CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)c1c[nH+]c[nH]1 ZINC001025061653 1072970086 /nfs/dbraw/zinc/97/00/86/1072970086.db2.gz BNYFHXZPRGRRHJ-ZHMBSYLPSA-N 1 2 392.456 -0.573 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001025061730 1072970181 /nfs/dbraw/zinc/97/01/81/1072970181.db2.gz DQARJRGEDRZFDY-GHHZWIFUSA-N 1 2 392.456 -0.908 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001025062210 1072971232 /nfs/dbraw/zinc/97/12/32/1072971232.db2.gz NTRPMLUUWMEOAQ-AIOUOQGWSA-N 1 2 378.429 -1.000 20 0 GBADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001025062582 1072971537 /nfs/dbraw/zinc/97/15/37/1072971537.db2.gz SRHBXCBZAMECCT-CNUKPYSBSA-N 1 2 378.429 -0.918 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001025063115 1072972979 /nfs/dbraw/zinc/97/29/79/1072972979.db2.gz XPYOIQBWZAPOSR-PQHDGLIZSA-N 1 2 392.456 -0.908 20 0 GBADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001025063601 1072972942 /nfs/dbraw/zinc/97/29/42/1072972942.db2.gz GHEXGNHLHCFUNK-LAWJPMAJSA-N 1 2 378.429 -0.918 20 0 GBADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001025063601 1072972940 /nfs/dbraw/zinc/97/29/40/1072972940.db2.gz GHEXGNHLHCFUNK-LAWJPMAJSA-N 1 2 378.429 -0.918 20 0 GBADLO O=C(CCn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001025064635 1072974620 /nfs/dbraw/zinc/97/46/20/1072974620.db2.gz ZFWGHTYASUMCEY-DEQQHWRFSA-N 1 2 378.429 -0.987 20 0 GBADLO COCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)cn1 ZINC001025072933 1072978292 /nfs/dbraw/zinc/97/82/92/1072978292.db2.gz SHJOUWMFRJKRNY-RRCSTGOVSA-N 1 2 388.428 -0.642 20 0 GBADLO COCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)cn1 ZINC001025072933 1072978284 /nfs/dbraw/zinc/97/82/84/1072978284.db2.gz SHJOUWMFRJKRNY-RRCSTGOVSA-N 1 2 388.428 -0.642 20 0 GBADLO Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001025074929 1072978861 /nfs/dbraw/zinc/97/88/61/1072978861.db2.gz JUUMPJRFYRVZHI-FPQZTECRSA-N 1 2 376.392 -0.304 20 0 GBADLO Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001025074929 1072978851 /nfs/dbraw/zinc/97/88/51/1072978851.db2.gz JUUMPJRFYRVZHI-FPQZTECRSA-N 1 2 376.392 -0.304 20 0 GBADLO Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001025075380 1072978654 /nfs/dbraw/zinc/97/86/54/1072978654.db2.gz PLSGHASMVRHOMD-HKUMRIAESA-N 1 2 390.419 -0.294 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1nccn2ccnc12 ZINC001025098799 1072984988 /nfs/dbraw/zinc/98/49/88/1072984988.db2.gz FEGLCOFPDYEMKW-HBJVGIJOSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1nccn2ccnc12 ZINC001025098799 1072984951 /nfs/dbraw/zinc/98/49/51/1072984951.db2.gz FEGLCOFPDYEMKW-HBJVGIJOSA-N 1 2 381.396 -0.442 20 0 GBADLO CCn1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)ccc1=O ZINC001025099757 1072985915 /nfs/dbraw/zinc/98/59/15/1072985915.db2.gz TUIFKPGVSCYVCO-YIKOMLBNSA-N 1 2 386.412 -0.909 20 0 GBADLO CCn1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)ccc1=O ZINC001025099757 1072985904 /nfs/dbraw/zinc/98/59/04/1072985904.db2.gz TUIFKPGVSCYVCO-YIKOMLBNSA-N 1 2 386.412 -0.909 20 0 GBADLO Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)c(C)n1 ZINC001025100157 1072985794 /nfs/dbraw/zinc/98/57/94/1072985794.db2.gz GVOCDDDTDUVSMC-GKLJAUDBSA-N 1 2 384.440 -0.068 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001025156693 1073004836 /nfs/dbraw/zinc/00/48/36/1073004836.db2.gz CNMSGBDKIVVAPJ-VWMGYNLJSA-N 1 2 377.426 -0.313 20 0 GBADLO Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001025170908 1073007030 /nfs/dbraw/zinc/00/70/30/1073007030.db2.gz YDCUJRYOEXWMMA-HKUMRIAESA-N 1 2 386.412 -0.671 20 0 GBADLO COc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)nc1 ZINC001025212990 1073011326 /nfs/dbraw/zinc/01/13/26/1073011326.db2.gz PAVUJDLQLMFERU-MUIFIZLQSA-N 1 2 385.424 -0.153 20 0 GBADLO COc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)nc1 ZINC001025212990 1073011316 /nfs/dbraw/zinc/01/13/16/1073011316.db2.gz PAVUJDLQLMFERU-MUIFIZLQSA-N 1 2 385.424 -0.153 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ncccc2F)C1 ZINC001025222751 1073012492 /nfs/dbraw/zinc/01/24/92/1073012492.db2.gz IUKRMRKDJYEYNN-GADXADSLSA-N 1 2 387.415 -0.012 20 0 GBADLO COc1cccnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001025223087 1073012541 /nfs/dbraw/zinc/01/25/41/1073012541.db2.gz RZCFPOJZKVYBDI-CZPYZCIJSA-N 1 2 385.424 -0.153 20 0 GBADLO COc1cccnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001025223087 1073012533 /nfs/dbraw/zinc/01/25/33/1073012533.db2.gz RZCFPOJZKVYBDI-CZPYZCIJSA-N 1 2 385.424 -0.153 20 0 GBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001025247104 1073015014 /nfs/dbraw/zinc/01/50/14/1073015014.db2.gz RBARBGDYVMDKFY-QHSBEEBCSA-N 1 2 386.412 -0.461 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cc2ncccn2n1 ZINC001025248963 1073015305 /nfs/dbraw/zinc/01/53/05/1073015305.db2.gz VIQSWOUTWNSBGZ-YIKOMLBNSA-N 1 2 381.396 -0.442 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cc2ncccn2n1 ZINC001025248963 1073015296 /nfs/dbraw/zinc/01/52/96/1073015296.db2.gz VIQSWOUTWNSBGZ-YIKOMLBNSA-N 1 2 381.396 -0.442 20 0 GBADLO CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)n(C)n1 ZINC001025291718 1073028240 /nfs/dbraw/zinc/02/82/40/1073028240.db2.gz WQDRLTUDLDYSEB-VMUDFCTBSA-N 1 2 386.456 -0.179 20 0 GBADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@H]1O ZINC001025305380 1073039709 /nfs/dbraw/zinc/03/97/09/1073039709.db2.gz GEBFKDZAXHRSES-ADAWSYLGSA-N 1 2 385.424 -0.187 20 0 GBADLO NC(=O)Cc1occc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001025328388 1073044578 /nfs/dbraw/zinc/04/45/78/1073044578.db2.gz OSRGREQGIJVCHN-HBJVGIJOSA-N 1 2 387.396 -0.864 20 0 GBADLO NC(=O)Cc1occc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001025328388 1073044568 /nfs/dbraw/zinc/04/45/68/1073044568.db2.gz OSRGREQGIJVCHN-HBJVGIJOSA-N 1 2 387.396 -0.864 20 0 GBADLO Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)nnn1C(C)C ZINC001025405387 1073057913 /nfs/dbraw/zinc/05/79/13/1073057913.db2.gz ZDIZFNIGLPHEAA-QHSBEEBCSA-N 1 2 387.444 -0.004 20 0 GBADLO Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)nnn1C(C)C ZINC001025405387 1073057908 /nfs/dbraw/zinc/05/79/08/1073057908.db2.gz ZDIZFNIGLPHEAA-QHSBEEBCSA-N 1 2 387.444 -0.004 20 0 GBADLO CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)nn1 ZINC001025406191 1073057877 /nfs/dbraw/zinc/05/78/77/1073057877.db2.gz GCZASJJUFCPTHP-BRXULGCHSA-N 1 2 387.444 -0.473 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cn(CC2CC2)nn1 ZINC001025407243 1073057961 /nfs/dbraw/zinc/05/79/61/1073057961.db2.gz APUVRGIREJSXOR-ZNEHSRBWSA-N 1 2 385.428 -0.484 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cn(CC2CC2)nn1 ZINC001025407243 1073057953 /nfs/dbraw/zinc/05/79/53/1073057953.db2.gz APUVRGIREJSXOR-ZNEHSRBWSA-N 1 2 385.428 -0.484 20 0 GBADLO CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)nn1 ZINC001025409017 1073059460 /nfs/dbraw/zinc/05/94/60/1073059460.db2.gz CMBMYMMWCHCEGP-BRXULGCHSA-N 1 2 387.444 -0.302 20 0 GBADLO COCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)co1 ZINC001025416394 1073061097 /nfs/dbraw/zinc/06/10/97/1073061097.db2.gz JTTQBMVLSOMIEH-RTWAVKEYSA-N 1 2 389.412 -0.340 20 0 GBADLO COCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)co1 ZINC001025416402 1073061210 /nfs/dbraw/zinc/06/12/10/1073061210.db2.gz KKPWVSZUUJIVLX-BGOOENEXSA-N 1 2 375.385 -0.351 20 0 GBADLO COCc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)co1 ZINC001025416402 1073061202 /nfs/dbraw/zinc/06/12/02/1073061202.db2.gz KKPWVSZUUJIVLX-BGOOENEXSA-N 1 2 375.385 -0.351 20 0 GBADLO Cn1cc(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)cn1 ZINC001025424034 1073069484 /nfs/dbraw/zinc/06/94/84/1073069484.db2.gz NIZQAMRQCAKOGS-RRCSTGOVSA-N 1 2 386.456 -0.088 20 0 GBADLO Cn1cc(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)cn1 ZINC001025424034 1073069475 /nfs/dbraw/zinc/06/94/75/1073069475.db2.gz NIZQAMRQCAKOGS-RRCSTGOVSA-N 1 2 386.456 -0.088 20 0 GBADLO COc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)n1 ZINC001025438307 1073081591 /nfs/dbraw/zinc/08/15/91/1073081591.db2.gz LIMLJFXHFJFEDE-ZNEHSRBWSA-N 1 2 385.424 -0.071 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025449107 1073102528 /nfs/dbraw/zinc/10/25/28/1073102528.db2.gz MPNBDDZDZVJEPT-QKPAOTATSA-N 1 2 383.408 -0.705 20 0 GBADLO O=C(N[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001025455992 1073110225 /nfs/dbraw/zinc/11/02/25/1073110225.db2.gz DLIZOBAJRAGWRS-GJZVTGKDSA-N 1 2 383.408 -0.395 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001025456147 1073110167 /nfs/dbraw/zinc/11/01/67/1073110167.db2.gz ITBWUJAVCSQPMT-YYQUZTFQSA-N 1 2 385.424 -0.006 20 0 GBADLO COc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)cn1 ZINC001025457180 1073110022 /nfs/dbraw/zinc/11/00/22/1073110022.db2.gz GQYWXGOWCKYRGG-RGCMKSIDSA-N 1 2 386.412 -0.676 20 0 GBADLO Cc1cc(=O)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)c[nH]1 ZINC001025458503 1073111087 /nfs/dbraw/zinc/11/10/87/1073111087.db2.gz XTXBIWOJNVSMKS-CTWCOEIASA-N 1 2 385.424 -0.478 20 0 GBADLO COc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001025469355 1073113758 /nfs/dbraw/zinc/11/37/58/1073113758.db2.gz DUBWLLOTVCJXBX-IXYNUQLISA-N 1 2 385.424 -0.071 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001025558594 1073135052 /nfs/dbraw/zinc/13/50/52/1073135052.db2.gz DYVPTFHOFKPJER-BRXULGCHSA-N 1 2 385.424 -0.776 20 0 GBADLO Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001025569973 1073138723 /nfs/dbraw/zinc/13/87/23/1073138723.db2.gz TXEYBPNHIQTXTP-ZNEHSRBWSA-N 1 2 385.424 -0.066 20 0 GBADLO CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O ZINC001025575853 1073138834 /nfs/dbraw/zinc/13/88/34/1073138834.db2.gz WSOSOFPVYLWUFP-FPCVCCKLSA-N 1 2 383.489 -0.400 20 0 GBADLO COc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)nn1 ZINC001025651485 1073155799 /nfs/dbraw/zinc/15/57/99/1073155799.db2.gz NXVJOYRLXWWAHW-NLRBGTRBSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001025669002 1073161176 /nfs/dbraw/zinc/16/11/76/1073161176.db2.gz MAERGRWYKJSRCR-HKUMRIAESA-N 1 2 387.396 -0.783 20 0 GBADLO CCc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)nnn1CC ZINC001025673168 1073161513 /nfs/dbraw/zinc/16/15/13/1073161513.db2.gz ISVBLPYAWGNGER-NLRBGTRBSA-N 1 2 387.444 -0.311 20 0 GBADLO CCc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)nnn1CC ZINC001025673168 1073161512 /nfs/dbraw/zinc/16/15/12/1073161512.db2.gz ISVBLPYAWGNGER-NLRBGTRBSA-N 1 2 387.444 -0.311 20 0 GBADLO Cc1cc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c(C)[nH+]1 ZINC001025676942 1073158671 /nfs/dbraw/zinc/15/86/71/1073158671.db2.gz AZEOKFZZOFVBHJ-APIJFGDWSA-N 1 2 390.440 -0.659 20 0 GBADLO Cn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c(Cl)n1 ZINC001025680635 1073161960 /nfs/dbraw/zinc/16/19/60/1073161960.db2.gz GXQIRSKOOZLEDK-HBJVGIJOSA-N 1 2 392.847 -0.169 20 0 GBADLO Cn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c(Cl)n1 ZINC001025680635 1073161958 /nfs/dbraw/zinc/16/19/58/1073161958.db2.gz GXQIRSKOOZLEDK-HBJVGIJOSA-N 1 2 392.847 -0.169 20 0 GBADLO CC(C)(C)n1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)n1 ZINC001025682314 1073162133 /nfs/dbraw/zinc/16/21/33/1073162133.db2.gz YTZZVUGEPPYNGH-HBJVGIJOSA-N 1 2 387.444 -0.139 20 0 GBADLO CC(C)(C)n1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)n1 ZINC001025682314 1073162127 /nfs/dbraw/zinc/16/21/27/1073162127.db2.gz YTZZVUGEPPYNGH-HBJVGIJOSA-N 1 2 387.444 -0.139 20 0 GBADLO COc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)ccn1 ZINC001025690203 1073163734 /nfs/dbraw/zinc/16/37/34/1073163734.db2.gz YXIJDLFLZAIGFN-RRCSTGOVSA-N 1 2 385.424 -0.153 20 0 GBADLO COc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)ccn1 ZINC001025690203 1073163731 /nfs/dbraw/zinc/16/37/31/1073163731.db2.gz YXIJDLFLZAIGFN-RRCSTGOVSA-N 1 2 385.424 -0.153 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1O ZINC001025692331 1073164879 /nfs/dbraw/zinc/16/48/79/1073164879.db2.gz SSCXNOUNOUFSAE-UMSGYPCISA-N 1 2 377.445 -0.901 20 0 GBADLO CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1)c1c[nH+]c[nH]1 ZINC001025693085 1073165927 /nfs/dbraw/zinc/16/59/27/1073165927.db2.gz RIMKSEGSSYKZSQ-YVECIDJPSA-N 1 2 377.445 -0.723 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1O ZINC001025693264 1073166358 /nfs/dbraw/zinc/16/63/58/1073166358.db2.gz HMYYROLUSQBSJD-QKPAOTATSA-N 1 2 383.408 -0.705 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)c[nH+]1 ZINC001025693893 1073167464 /nfs/dbraw/zinc/16/74/64/1073167464.db2.gz AUMUUHDOZUMGHQ-LXTVHRRPSA-N 1 2 391.472 -0.484 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)C1 ZINC001025694020 1073167976 /nfs/dbraw/zinc/16/79/76/1073167976.db2.gz IGNQIWHSAXKCAZ-OXUXUCFPSA-N 1 2 385.424 -0.234 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001025694328 1073168492 /nfs/dbraw/zinc/16/84/92/1073168492.db2.gz TZNOHIQUXCGUKW-AYRXBEOTSA-N 1 2 390.440 -0.778 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001025695600 1073169639 /nfs/dbraw/zinc/16/96/39/1073169639.db2.gz FXWRWKBOXLWQLH-UAXWRAGISA-N 1 2 385.424 -0.411 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1O ZINC001025695715 1073170191 /nfs/dbraw/zinc/17/01/91/1073170191.db2.gz JNBFZNBBEGJXRP-KYEXWDHISA-N 1 2 385.424 -0.640 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001025695735 1073170004 /nfs/dbraw/zinc/17/00/04/1073170004.db2.gz ILQUHXMJOFAWTP-GBJTYRQASA-N 1 2 390.440 -0.955 20 0 GBADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)c[nH+]1 ZINC001025695936 1073170566 /nfs/dbraw/zinc/17/05/66/1073170566.db2.gz POUJPCCTSZCWGJ-GBJTYRQASA-N 1 2 391.472 -0.661 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2O)C1 ZINC001025695960 1073170522 /nfs/dbraw/zinc/17/05/22/1073170522.db2.gz MZEOBABQRKNAED-QVHKTLOISA-N 1 2 385.424 -0.463 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1O ZINC001025697691 1073174148 /nfs/dbraw/zinc/17/41/48/1073174148.db2.gz XMIBCJRZOMLFFZ-QKPAOTATSA-N 1 2 383.408 -0.705 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1O ZINC001025702122 1073168883 /nfs/dbraw/zinc/16/88/83/1073168883.db2.gz BMTQBVLERFQNJS-GADXADSLSA-N 1 2 387.415 -0.012 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1O ZINC001025702150 1073169017 /nfs/dbraw/zinc/16/90/17/1073169017.db2.gz COIXCBMGVTTYCZ-IXYNUQLISA-N 1 2 385.424 -0.776 20 0 GBADLO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025702221 1073169054 /nfs/dbraw/zinc/16/90/54/1073169054.db2.gz FYCTVJIUDWWEIZ-HKUMRIAESA-N 1 2 386.412 -0.671 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1O ZINC001025702331 1073169079 /nfs/dbraw/zinc/16/90/79/1073169079.db2.gz KQAPCDRZQJNDMI-ZNEHSRBWSA-N 1 2 384.440 -0.263 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1O ZINC001025702409 1073168910 /nfs/dbraw/zinc/16/89/10/1073168910.db2.gz MSZQKEANQMBXBO-KCYZZUKISA-N 1 2 387.415 -0.012 20 0 GBADLO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001025702491 1073168984 /nfs/dbraw/zinc/16/89/84/1073168984.db2.gz PXNSFOFHSYVXKZ-DMTCVQMQSA-N 1 2 387.396 -0.376 20 0 GBADLO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001025702491 1073168983 /nfs/dbraw/zinc/16/89/83/1073168983.db2.gz PXNSFOFHSYVXKZ-DMTCVQMQSA-N 1 2 387.396 -0.376 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)ccn1 ZINC001025702517 1073169042 /nfs/dbraw/zinc/16/90/42/1073169042.db2.gz QULFGLSNHKILSN-IXYNUQLISA-N 1 2 385.424 -0.071 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1O ZINC001025702632 1073168934 /nfs/dbraw/zinc/16/89/34/1073168934.db2.gz WCLUVCAEIHGNJI-BGOOENEXSA-N 1 2 392.847 -0.088 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1O ZINC001025704883 1073176889 /nfs/dbraw/zinc/17/68/89/1073176889.db2.gz VOYLWEZRACHRJI-YYQUZTFQSA-N 1 2 385.424 -0.006 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1O ZINC001025706600 1073176809 /nfs/dbraw/zinc/17/68/09/1073176809.db2.gz NCWYOXSFHOURPJ-YYQUZTFQSA-N 1 2 385.424 -0.006 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1O ZINC001025707379 1073177367 /nfs/dbraw/zinc/17/73/67/1073177367.db2.gz SDSRVZKJWSOVIZ-DRRHNWJESA-N 1 2 376.457 -0.125 20 0 GBADLO CCn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001025708025 1073177708 /nfs/dbraw/zinc/17/77/08/1073177708.db2.gz AKRLMCACUJTQNA-IXYNUQLISA-N 1 2 387.444 -0.934 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)on1 ZINC001025708031 1073178057 /nfs/dbraw/zinc/17/80/57/1073178057.db2.gz ASCJTXLQYMVTHU-PRULPYPASA-N 1 2 375.385 -0.478 20 0 GBADLO CCc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cnn1C ZINC001025708048 1073177922 /nfs/dbraw/zinc/17/79/22/1073177922.db2.gz BGXLEPCVAFUVRL-CTWCOEIASA-N 1 2 386.456 -0.179 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1O ZINC001025708052 1073177898 /nfs/dbraw/zinc/17/78/98/1073177898.db2.gz BNNNUWFIWYMOTC-KCYZZUKISA-N 1 2 385.424 -0.315 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1O ZINC001025708073 1073177842 /nfs/dbraw/zinc/17/78/42/1073177842.db2.gz COCBTCFKNKTQFQ-NLRBGTRBSA-N 1 2 383.412 -0.499 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1C ZINC001025708093 1073177931 /nfs/dbraw/zinc/17/79/31/1073177931.db2.gz DSXZDMVBIRDJFR-NLRBGTRBSA-N 1 2 388.428 -0.733 20 0 GBADLO Cn1ccnc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025708100 1073177699 /nfs/dbraw/zinc/17/76/99/1073177699.db2.gz FIQVJPNUIZVKAN-IXYNUQLISA-N 1 2 386.456 -0.422 20 0 GBADLO COc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cnn1C ZINC001025708105 1073177968 /nfs/dbraw/zinc/17/79/68/1073177968.db2.gz FOSBVDYWDWKENH-NLRBGTRBSA-N 1 2 388.428 -0.733 20 0 GBADLO COc1nccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001025708113 1073178061 /nfs/dbraw/zinc/17/80/61/1073178061.db2.gz FXFSUEXAWRMXFT-NLRBGTRBSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1O ZINC001025708227 1073178110 /nfs/dbraw/zinc/17/81/10/1073178110.db2.gz HDKSHQSFQNOITK-IXYNUQLISA-N 1 2 385.424 -0.776 20 0 GBADLO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)c(Cl)n1 ZINC001025708253 1073178023 /nfs/dbraw/zinc/17/80/23/1073178023.db2.gz IDBSSTCZXGSBRY-BGOOENEXSA-N 1 2 392.847 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1O ZINC001025708279 1073177963 /nfs/dbraw/zinc/17/79/63/1073177963.db2.gz JISTYRNVMNRNJH-CTWCOEIASA-N 1 2 385.424 -0.776 20 0 GBADLO COc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nc1 ZINC001025708296 1073178018 /nfs/dbraw/zinc/17/80/18/1073178018.db2.gz JYZGENILNGRTJI-RGCMKSIDSA-N 1 2 386.412 -0.676 20 0 GBADLO COc1cccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025708382 1073177790 /nfs/dbraw/zinc/17/77/90/1073177790.db2.gz LLDYXYZUFZDSEE-RGCMKSIDSA-N 1 2 385.424 -0.071 20 0 GBADLO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nc(C)n1 ZINC001025708421 1073177869 /nfs/dbraw/zinc/17/78/69/1073177869.db2.gz LZENXIJDRVTBJG-GKLJAUDBSA-N 1 2 384.440 -0.068 20 0 GBADLO CCOc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)co1 ZINC001025708457 1073177984 /nfs/dbraw/zinc/17/79/84/1073177984.db2.gz MWNHRTBPLZISNG-RTWAVKEYSA-N 1 2 389.412 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1O ZINC001025708604 1073177953 /nfs/dbraw/zinc/17/79/53/1073177953.db2.gz QHXNPKNIHZJSJL-BGOOENEXSA-N 1 2 392.847 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1O ZINC001025708616 1073177772 /nfs/dbraw/zinc/17/77/72/1073177772.db2.gz QZEKKKXHFGFCDT-RGCMKSIDSA-N 1 2 378.429 -0.635 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1O ZINC001025708625 1073178067 /nfs/dbraw/zinc/17/80/67/1073178067.db2.gz ROBPDZYYGMTEJS-IXYNUQLISA-N 1 2 389.456 -0.776 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1O ZINC001025708643 1073177814 /nfs/dbraw/zinc/17/78/14/1073177814.db2.gz SFCJGNFMTRDDEJ-IXYNUQLISA-N 1 2 385.424 -0.776 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1O ZINC001025708696 1073177913 /nfs/dbraw/zinc/17/79/13/1073177913.db2.gz VCISCSKUIKABGD-PRULPYPASA-N 1 2 387.396 -0.783 20 0 GBADLO Cc1nn(C)c(F)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025708729 1073177738 /nfs/dbraw/zinc/17/77/38/1073177738.db2.gz WOUMWTQWCQEYMD-HKUMRIAESA-N 1 2 390.419 -0.294 20 0 GBADLO COCc1nocc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025708752 1073178775 /nfs/dbraw/zinc/17/87/75/1073178775.db2.gz XPPGYAKSENIKBM-QQHRNGFRSA-N 1 2 389.412 -0.340 20 0 GBADLO Cc1nnsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025708771 1073178485 /nfs/dbraw/zinc/17/84/85/1073178485.db2.gz YGQCTGLEGWAPBD-PRULPYPASA-N 1 2 376.442 -0.315 20 0 GBADLO CCc1ncncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025708988 1073178751 /nfs/dbraw/zinc/17/87/51/1073178751.db2.gz AZRRMTOIGXSXRA-GADXADSLSA-N 1 2 384.440 -0.122 20 0 GBADLO COCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)no1 ZINC001025709001 1073178800 /nfs/dbraw/zinc/17/88/00/1073178800.db2.gz BNRGCVBCUNZELO-ZNEHSRBWSA-N 1 2 389.412 -0.340 20 0 GBADLO Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)c(=O)[nH]1 ZINC001025709046 1073178660 /nfs/dbraw/zinc/17/86/60/1073178660.db2.gz DCYJKCHNLSXXMQ-IXYNUQLISA-N 1 2 385.424 -0.066 20 0 GBADLO Cc1cnn(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)c1 ZINC001025709074 1073178459 /nfs/dbraw/zinc/17/84/59/1073178459.db2.gz FSBWRYFVRCSZQH-KCYZZUKISA-N 1 2 386.456 -0.193 20 0 GBADLO CCn1nc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001025709088 1073178631 /nfs/dbraw/zinc/17/86/31/1073178631.db2.gz GHNPXUQWZYJWTN-RGCMKSIDSA-N 1 2 387.444 -0.555 20 0 GBADLO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n(C)n1 ZINC001025709165 1073178711 /nfs/dbraw/zinc/17/87/11/1073178711.db2.gz AWWUJQDDFRZWRN-VMUDFCTBSA-N 1 2 386.456 -0.179 20 0 GBADLO Cc1cc(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)c[nH]1 ZINC001025709180 1073178672 /nfs/dbraw/zinc/17/86/72/1073178672.db2.gz BPTVZVOCZQFNMK-CTWCOEIASA-N 1 2 385.424 -0.478 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1O ZINC001025709191 1073178703 /nfs/dbraw/zinc/17/87/03/1073178703.db2.gz BYIXZWKAHIIBIS-BGOOENEXSA-N 1 2 392.847 -0.088 20 0 GBADLO Cn1cc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001025709227 1073178730 /nfs/dbraw/zinc/17/87/30/1073178730.db2.gz GXYOHTVNTBYLAI-KCYZZUKISA-N 1 2 386.456 -0.422 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1O ZINC001025709251 1073178788 /nfs/dbraw/zinc/17/87/88/1073178788.db2.gz HPKKUDXEADTHJY-KCYZZUKISA-N 1 2 384.440 -0.366 20 0 GBADLO Cc1c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cnn1C ZINC001025709262 1073178725 /nfs/dbraw/zinc/17/87/25/1073178725.db2.gz DJYTXKYBHNWACU-KCYZZUKISA-N 1 2 386.456 -0.504 20 0 GBADLO COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001025709268 1073178443 /nfs/dbraw/zinc/17/84/43/1073178443.db2.gz DNOQXQMUWNIOJB-NLRBGTRBSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1O ZINC001025709278 1073178602 /nfs/dbraw/zinc/17/86/02/1073178602.db2.gz IFHRPLIAGYUAFS-HKUMRIAESA-N 1 2 387.396 -0.783 20 0 GBADLO Cc1noc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001025709293 1073178643 /nfs/dbraw/zinc/17/86/43/1073178643.db2.gz IPOFAHMZWQLFAS-RGCMKSIDSA-N 1 2 388.428 -0.464 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1O ZINC001025709327 1073178406 /nfs/dbraw/zinc/17/84/06/1073178406.db2.gz JKCNADRBVSIOGG-BRXULGCHSA-N 1 2 384.440 -0.332 20 0 GBADLO COc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)co1 ZINC001025709331 1073178523 /nfs/dbraw/zinc/17/85/23/1073178523.db2.gz JPOQXJXJWMYJFE-ZHSDAYTOSA-N 1 2 375.385 -0.478 20 0 GBADLO CCc1c[nH]c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001025709367 1073178780 /nfs/dbraw/zinc/17/87/80/1073178780.db2.gz LNTFPIULPCBHEQ-IXYNUQLISA-N 1 2 386.456 -0.260 20 0 GBADLO COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001025709373 1073178572 /nfs/dbraw/zinc/17/85/72/1073178572.db2.gz LUQYSRRXKSPEEO-IXYNUQLISA-N 1 2 385.424 -0.071 20 0 GBADLO COc1ccnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)c1 ZINC001025709381 1073178756 /nfs/dbraw/zinc/17/87/56/1073178756.db2.gz MBOKGVVYNFRKFU-GKLJAUDBSA-N 1 2 385.424 -0.071 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1O ZINC001025709395 1073178697 /nfs/dbraw/zinc/17/86/97/1073178697.db2.gz MRJYJKSYNZLTLH-BRXULGCHSA-N 1 2 384.440 -0.332 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)sn1 ZINC001025709438 1073178761 /nfs/dbraw/zinc/17/87/61/1073178761.db2.gz ONDQGFJDJOMBFY-PRULPYPASA-N 1 2 391.453 -0.010 20 0 GBADLO CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1C ZINC001025709448 1073178690 /nfs/dbraw/zinc/17/86/90/1073178690.db2.gz OWJAUXWKDTUAFF-GKLJAUDBSA-N 1 2 386.456 -0.179 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1O ZINC001025709457 1073179275 /nfs/dbraw/zinc/17/92/75/1073179275.db2.gz PDFVTFBAEQJHCI-RGCMKSIDSA-N 1 2 375.454 -0.089 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1O ZINC001025709469 1073178736 /nfs/dbraw/zinc/17/87/36/1073178736.db2.gz FVAWXJSIMZVIOR-KCYZZUKISA-N 1 2 384.440 -0.366 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1O ZINC001025709488 1073179269 /nfs/dbraw/zinc/17/92/69/1073179269.db2.gz GXLQYIZJBWTYOA-IXYNUQLISA-N 1 2 385.424 -0.927 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1O ZINC001025709505 1073179381 /nfs/dbraw/zinc/17/93/81/1073179381.db2.gz HNXIOXKNQUUAHK-KCYZZUKISA-N 1 2 392.456 -0.593 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1O ZINC001025709536 1073179260 /nfs/dbraw/zinc/17/92/60/1073179260.db2.gz PPJRVULOJSOSPL-IXYNUQLISA-N 1 2 389.456 -0.776 20 0 GBADLO COc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025709548 1073179456 /nfs/dbraw/zinc/17/94/56/1073179456.db2.gz QAKMZCOAUORKPM-NLRBGTRBSA-N 1 2 388.428 -0.733 20 0 GBADLO Cc1cc(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)no1 ZINC001025709567 1073179402 /nfs/dbraw/zinc/17/94/02/1073179402.db2.gz JQJJCGXNAJMMSN-RGCMKSIDSA-N 1 2 389.412 -0.413 20 0 GBADLO Cc1nn(C)c(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025709568 1073179442 /nfs/dbraw/zinc/17/94/42/1073179442.db2.gz QLSWLLHKOUVMGS-IXYNUQLISA-N 1 2 386.456 -0.124 20 0 GBADLO Cc1cc(C)n(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001025709573 1073179392 /nfs/dbraw/zinc/17/93/92/1073179392.db2.gz QNNAFULQPSNREO-KCYZZUKISA-N 1 2 386.456 -0.275 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1O ZINC001025709577 1073179349 /nfs/dbraw/zinc/17/93/49/1073179349.db2.gz JXIMPMBIDFMKRN-KCYZZUKISA-N 1 2 386.456 -0.422 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1O ZINC001025709584 1073179531 /nfs/dbraw/zinc/17/95/31/1073179531.db2.gz QTLGKGWOEVAYGD-RGCMKSIDSA-N 1 2 392.847 -0.238 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1O ZINC001025709587 1073179499 /nfs/dbraw/zinc/17/94/99/1073179499.db2.gz QXYMIMQGXLJSBP-NLRBGTRBSA-N 1 2 386.412 -0.886 20 0 GBADLO Cc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n(C)n1 ZINC001025709588 1073179371 /nfs/dbraw/zinc/17/93/71/1073179371.db2.gz QYKMENUZCXZWGG-KCYZZUKISA-N 1 2 386.456 -0.504 20 0 GBADLO CCn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001025709614 1073179496 /nfs/dbraw/zinc/17/94/96/1073179496.db2.gz KNTNFJGDNPCKNE-KCYZZUKISA-N 1 2 386.456 -0.329 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1O ZINC001025709616 1073179435 /nfs/dbraw/zinc/17/94/35/1073179435.db2.gz RQHUJIYLXHJXPG-GKLJAUDBSA-N 1 2 384.440 -0.332 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1O ZINC001025709618 1073179546 /nfs/dbraw/zinc/17/95/46/1073179546.db2.gz RQICOWRJJCVUCR-VWMGYNLJSA-N 1 2 377.426 -0.313 20 0 GBADLO Cc1nn(C)cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025709631 1073179524 /nfs/dbraw/zinc/17/95/24/1073179524.db2.gz SJFYIANEFIQSGX-KCYZZUKISA-N 1 2 386.456 -0.504 20 0 GBADLO CCn1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001025709634 1073179227 /nfs/dbraw/zinc/17/92/27/1073179227.db2.gz SKXZHCITHGQGQJ-KCYZZUKISA-N 1 2 386.456 -0.329 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1O ZINC001025709661 1073179362 /nfs/dbraw/zinc/17/93/62/1073179362.db2.gz UOXBKVLHNSDGLF-IXYNUQLISA-N 1 2 390.419 -0.309 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1O ZINC001025709671 1073179554 /nfs/dbraw/zinc/17/95/54/1073179554.db2.gz VAASOUBKCKTCLL-CTWCOEIASA-N 1 2 384.440 -0.332 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1O ZINC001025709684 1073179338 /nfs/dbraw/zinc/17/93/38/1073179338.db2.gz VMRNFTDADXMFNS-RGCMKSIDSA-N 1 2 380.420 -0.270 20 0 GBADLO Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025709695 1073179464 /nfs/dbraw/zinc/17/94/64/1073179464.db2.gz WBSAXMBSMGGZCT-KCYZZUKISA-N 1 2 386.456 -0.206 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1O ZINC001025709710 1073179468 /nfs/dbraw/zinc/17/94/68/1073179468.db2.gz WZPOFYPOAUOPQG-ZHSDAYTOSA-N 1 2 392.847 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1O ZINC001025709746 1073179560 /nfs/dbraw/zinc/17/95/60/1073179560.db2.gz KRONEIIIBOQJRL-HKUMRIAESA-N 1 2 387.396 -0.783 20 0 GBADLO CCc1nnsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025709773 1073179328 /nfs/dbraw/zinc/17/93/28/1073179328.db2.gz ZOGWCLDIZAZUMW-BGOOENEXSA-N 1 2 390.469 -0.061 20 0 GBADLO CCOc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)on1 ZINC001025709774 1073179507 /nfs/dbraw/zinc/17/95/07/1073179507.db2.gz ZQRUMMCGULMWDE-HKUMRIAESA-N 1 2 389.412 -0.088 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@H]1O ZINC001025709793 1073179539 /nfs/dbraw/zinc/17/95/39/1073179539.db2.gz ZXROHFAJMFYAON-IXYNUQLISA-N 1 2 385.424 -0.445 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1O ZINC001025709809 1073179428 /nfs/dbraw/zinc/17/94/28/1073179428.db2.gz MLGSDGWIMPYFKM-IXYNUQLISA-N 1 2 384.440 -0.366 20 0 GBADLO COc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001025709816 1073179451 /nfs/dbraw/zinc/17/94/51/1073179451.db2.gz NAMJNTOAMUNPTE-NLRBGTRBSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1O ZINC001025709829 1073179515 /nfs/dbraw/zinc/17/95/15/1073179515.db2.gz NNIVEFQGCDLSTR-BRXULGCHSA-N 1 2 385.424 -0.776 20 0 GBADLO CCc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025709840 1073179491 /nfs/dbraw/zinc/17/94/91/1073179491.db2.gz NWOLOFKJXDYILR-GADXADSLSA-N 1 2 386.456 -0.179 20 0 GBADLO Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025709849 1073179461 /nfs/dbraw/zinc/17/94/61/1073179461.db2.gz OCZNEJZXLOKPMS-ZNEHSRBWSA-N 1 2 385.424 -0.066 20 0 GBADLO COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)ncn1 ZINC001025709852 1073179244 /nfs/dbraw/zinc/17/92/44/1073179244.db2.gz OEMWZNSGHBCBIQ-NLRBGTRBSA-N 1 2 386.412 -0.676 20 0 GBADLO COCc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)co1 ZINC001025709853 1073179483 /nfs/dbraw/zinc/17/94/83/1073179483.db2.gz OFCRODFRONCRMP-RTWAVKEYSA-N 1 2 389.412 -0.340 20 0 GBADLO CCOc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)[nH]n1 ZINC001025709877 1073179475 /nfs/dbraw/zinc/17/94/75/1073179475.db2.gz PKXDMWHXFBERII-NLRBGTRBSA-N 1 2 388.428 -0.353 20 0 GBADLO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)c(C)nn1 ZINC001025709884 1073180317 /nfs/dbraw/zinc/18/03/17/1073180317.db2.gz PXAPUPKLAXQRJG-KCYZZUKISA-N 1 2 384.440 -0.068 20 0 GBADLO Cn1cc(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001025709911 1073180332 /nfs/dbraw/zinc/18/03/32/1073180332.db2.gz RJRADWBZHCRQEQ-IXYNUQLISA-N 1 2 388.428 -0.976 20 0 GBADLO COc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001025709919 1073180350 /nfs/dbraw/zinc/18/03/50/1073180350.db2.gz RWIRTGDWCFKVRM-RGCMKSIDSA-N 1 2 386.412 -0.676 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1O ZINC001025709921 1073180264 /nfs/dbraw/zinc/18/02/64/1073180264.db2.gz RYZCKWCVFARWAI-KCYZZUKISA-N 1 2 384.440 -0.366 20 0 GBADLO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1O ZINC001025709923 1073180097 /nfs/dbraw/zinc/18/00/97/1073180097.db2.gz RZGYKKYWEWDLPR-KCYZZUKISA-N 1 2 386.456 -0.422 20 0 GBADLO Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)c(C)n1 ZINC001025709954 1073180251 /nfs/dbraw/zinc/18/02/51/1073180251.db2.gz UGABENBNGFORMU-GKLJAUDBSA-N 1 2 384.440 -0.068 20 0 GBADLO CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001025709960 1073180292 /nfs/dbraw/zinc/18/02/92/1073180292.db2.gz UMVHDBWNVUJTRL-BRXULGCHSA-N 1 2 387.444 -0.473 20 0 GBADLO COc1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001025709966 1073180356 /nfs/dbraw/zinc/18/03/56/1073180356.db2.gz UQHPUJPTWKDCAW-ZNEHSRBWSA-N 1 2 385.424 -0.071 20 0 GBADLO Cn1ccc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001025710055 1073180340 /nfs/dbraw/zinc/18/03/40/1073180340.db2.gz VYLMJOWJEQDJFQ-KCYZZUKISA-N 1 2 386.456 -0.422 20 0 GBADLO Cn1cc(Cl)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001025710065 1073180201 /nfs/dbraw/zinc/18/02/01/1073180201.db2.gz WHPUEKCVOLGLBJ-BGOOENEXSA-N 1 2 392.847 -0.088 20 0 GBADLO CC(C)n1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001025710106 1073180208 /nfs/dbraw/zinc/18/02/08/1073180208.db2.gz XZGIOZXBJPVGJQ-BRXULGCHSA-N 1 2 387.444 -0.302 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1O ZINC001025710123 1073180149 /nfs/dbraw/zinc/18/01/49/1073180149.db2.gz YVGQRHGKQNFXSL-RGCMKSIDSA-N 1 2 375.454 -0.089 20 0 GBADLO COc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025710128 1073180103 /nfs/dbraw/zinc/18/01/03/1073180103.db2.gz ZCAVPSZEROPHIX-IXYNUQLISA-N 1 2 385.424 -0.071 20 0 GBADLO CCn1nnc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025710141 1073180173 /nfs/dbraw/zinc/18/01/73/1073180173.db2.gz ZKGOYFOKWKOONW-RGCMKSIDSA-N 1 2 387.444 -0.555 20 0 GBADLO O=C(CN1CCCCCC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001025735465 1073183479 /nfs/dbraw/zinc/18/34/79/1073183479.db2.gz TXHGHKAPSOHTAP-RRCSTGOVSA-N 1 2 389.456 -0.396 20 0 GBADLO O=C(CN1CCCCCC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001025735465 1073183473 /nfs/dbraw/zinc/18/34/73/1073183473.db2.gz TXHGHKAPSOHTAP-RRCSTGOVSA-N 1 2 389.456 -0.396 20 0 GBADLO CCn1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)cn1 ZINC001025746891 1073184041 /nfs/dbraw/zinc/18/40/41/1073184041.db2.gz JVCSRFCAAWTVBU-KCYZZUKISA-N 1 2 386.456 -0.329 20 0 GBADLO COc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c(C)nn1C ZINC001025749592 1073185890 /nfs/dbraw/zinc/18/58/90/1073185890.db2.gz YUBMUAYNOHFANX-HBJVGIJOSA-N 1 2 388.428 -0.435 20 0 GBADLO COc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c(C)nn1C ZINC001025749592 1073185889 /nfs/dbraw/zinc/18/58/89/1073185889.db2.gz YUBMUAYNOHFANX-HBJVGIJOSA-N 1 2 388.428 -0.435 20 0 GBADLO CN(C)c1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)ccn1 ZINC001025751010 1073184896 /nfs/dbraw/zinc/18/48/96/1073184896.db2.gz GHPCWBHCZZPLNF-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO CN(C)c1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)ccn1 ZINC001025751010 1073184892 /nfs/dbraw/zinc/18/48/92/1073184892.db2.gz GHPCWBHCZZPLNF-RRCSTGOVSA-N 1 2 384.440 -0.024 20 0 GBADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2O)cn1 ZINC001025763874 1073190599 /nfs/dbraw/zinc/19/05/99/1073190599.db2.gz JVSHDRYYKLTHNJ-YLFCFFPRSA-N 1 2 386.456 -0.422 20 0 GBADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2O)cn1 ZINC001025764138 1073191084 /nfs/dbraw/zinc/19/10/84/1073191084.db2.gz NUGIBPSSBWMYTG-GBJTYRQASA-N 1 2 386.456 -0.088 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001025764210 1073190942 /nfs/dbraw/zinc/19/09/42/1073190942.db2.gz XRJZXSNJZUJBDH-IETPZCKNSA-N 1 2 375.425 -0.112 20 0 GBADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2O)cn1 ZINC001025764425 1073191206 /nfs/dbraw/zinc/19/12/06/1073191206.db2.gz QGOFJDYEVKCYOJ-ZJIFWQFVSA-N 1 2 386.456 -0.422 20 0 GBADLO Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)c(=O)[nH]1 ZINC001025798157 1073195492 /nfs/dbraw/zinc/19/54/92/1073195492.db2.gz MKLKATDHRMZMMI-IXYNUQLISA-N 1 2 385.424 -0.066 20 0 GBADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@H]1O ZINC001025803146 1073196501 /nfs/dbraw/zinc/19/65/01/1073196501.db2.gz WJGYBDGEFPXGMG-KONPQCLYSA-N 1 2 385.424 -0.187 20 0 GBADLO NC(=O)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001026107481 1073230779 /nfs/dbraw/zinc/23/07/79/1073230779.db2.gz QELBHVATIHLQFS-GUIRCDHDSA-N 1 2 387.440 -0.536 20 0 GBADLO NC(=O)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001026107481 1073230769 /nfs/dbraw/zinc/23/07/69/1073230769.db2.gz QELBHVATIHLQFS-GUIRCDHDSA-N 1 2 387.440 -0.536 20 0 GBADLO NC(=O)C(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)[C@H]2COC[C@H]21 ZINC001026109574 1073231863 /nfs/dbraw/zinc/23/18/63/1073231863.db2.gz PAHCTXPMWHVWJO-GUIRCDHDSA-N 1 2 387.440 -0.536 20 0 GBADLO NC(=O)C(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)[C@H]2COC[C@H]21 ZINC001026109574 1073231860 /nfs/dbraw/zinc/23/18/60/1073231860.db2.gz PAHCTXPMWHVWJO-GUIRCDHDSA-N 1 2 387.440 -0.536 20 0 GBADLO C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001026625501 1073332386 /nfs/dbraw/zinc/33/23/86/1073332386.db2.gz CSAPDQCUBRUNRD-FPCVCCKLSA-N 1 2 391.472 -0.134 20 0 GBADLO Cn1[nH]c(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nc1=O ZINC001027503871 1073486175 /nfs/dbraw/zinc/48/61/75/1073486175.db2.gz YHFXPWPRIOUGFE-KNCOVGOOSA-N 1 2 379.461 -0.417 20 0 GBADLO Cn1[nH]c(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nc1=O ZINC001027503872 1073486603 /nfs/dbraw/zinc/48/66/03/1073486603.db2.gz YHFXPWPRIOUGFE-RZLSGREXSA-N 1 2 379.461 -0.417 20 0 GBADLO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCNC(=O)C1 ZINC001028037126 1073614097 /nfs/dbraw/zinc/61/40/97/1073614097.db2.gz OZOVWLXSJWNCPR-JTOWHCCKSA-N 1 2 378.473 -0.660 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCNC(=O)C1 ZINC001028037126 1073614094 /nfs/dbraw/zinc/61/40/94/1073614094.db2.gz OZOVWLXSJWNCPR-JTOWHCCKSA-N 1 2 378.473 -0.660 20 0 GBADLO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCNC(=O)C1 ZINC001028037127 1073613890 /nfs/dbraw/zinc/61/38/90/1073613890.db2.gz OZOVWLXSJWNCPR-YRBFXIGRSA-N 1 2 378.473 -0.660 20 0 GBADLO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCNC(=O)C1 ZINC001028037127 1073613887 /nfs/dbraw/zinc/61/38/87/1073613887.db2.gz OZOVWLXSJWNCPR-YRBFXIGRSA-N 1 2 378.473 -0.660 20 0 GBADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001028703782 1072448623 /nfs/dbraw/zinc/44/86/23/1072448623.db2.gz JGSCGOWZCIGVAM-AAFQZVJASA-N 1 2 389.456 -0.280 20 0 GBADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001028703782 1072448621 /nfs/dbraw/zinc/44/86/21/1072448621.db2.gz JGSCGOWZCIGVAM-AAFQZVJASA-N 1 2 389.456 -0.280 20 0 GBADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001028703785 1072448344 /nfs/dbraw/zinc/44/83/44/1072448344.db2.gz JGSCGOWZCIGVAM-JALPSCNRSA-N 1 2 389.456 -0.280 20 0 GBADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001028703785 1072448339 /nfs/dbraw/zinc/44/83/39/1072448339.db2.gz JGSCGOWZCIGVAM-JALPSCNRSA-N 1 2 389.456 -0.280 20 0 GBADLO O=C(NC[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001028709661 1072468390 /nfs/dbraw/zinc/46/83/90/1072468390.db2.gz NGBZSNJBRXDSFL-GZIXRCOHSA-N 1 2 376.461 -0.002 20 0 GBADLO O=C(NC[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001028709661 1072468386 /nfs/dbraw/zinc/46/83/86/1072468386.db2.gz NGBZSNJBRXDSFL-GZIXRCOHSA-N 1 2 376.461 -0.002 20 0 GBADLO O=C(NC[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001028709662 1072468206 /nfs/dbraw/zinc/46/82/06/1072468206.db2.gz NGBZSNJBRXDSFL-RPCCPQHDSA-N 1 2 376.461 -0.002 20 0 GBADLO O=C(NC[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001028709662 1072468202 /nfs/dbraw/zinc/46/82/02/1072468202.db2.gz NGBZSNJBRXDSFL-RPCCPQHDSA-N 1 2 376.461 -0.002 20 0 GBADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1 ZINC001028820669 1072659150 /nfs/dbraw/zinc/65/91/50/1072659150.db2.gz UAWYUQHFGWQADA-DGAVXFQQSA-N 1 2 377.445 -0.136 20 0 GBADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1 ZINC001028820669 1072659143 /nfs/dbraw/zinc/65/91/43/1072659143.db2.gz UAWYUQHFGWQADA-DGAVXFQQSA-N 1 2 377.445 -0.136 20 0 GBADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1 ZINC001028820670 1072658898 /nfs/dbraw/zinc/65/88/98/1072658898.db2.gz UAWYUQHFGWQADA-SYQHCUMBSA-N 1 2 377.445 -0.136 20 0 GBADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1 ZINC001028820670 1072658890 /nfs/dbraw/zinc/65/88/90/1072658890.db2.gz UAWYUQHFGWQADA-SYQHCUMBSA-N 1 2 377.445 -0.136 20 0 GBADLO Cn1nnnc1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001029979896 1073872499 /nfs/dbraw/zinc/87/24/99/1073872499.db2.gz IBCBYYANPSZDJE-YQQAZPJKSA-N 1 2 378.477 -0.068 20 0 GBADLO Cn1nnnc1C[N@H+](C)CC1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001029979896 1073872490 /nfs/dbraw/zinc/87/24/90/1073872490.db2.gz IBCBYYANPSZDJE-YQQAZPJKSA-N 1 2 378.477 -0.068 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001058851123 1073599582 /nfs/dbraw/zinc/59/95/82/1073599582.db2.gz AEJICKWVQUPISB-SYQHCUMBSA-N 1 2 377.445 -0.825 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001058851123 1073599576 /nfs/dbraw/zinc/59/95/76/1073599576.db2.gz AEJICKWVQUPISB-SYQHCUMBSA-N 1 2 377.445 -0.825 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058852101 1073601812 /nfs/dbraw/zinc/60/18/12/1073601812.db2.gz GICYEUGTEDJQBY-TUVASFSCSA-N 1 2 391.472 -0.815 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001058853818 1073604142 /nfs/dbraw/zinc/60/41/42/1073604142.db2.gz KYPCHAHHWAHGOD-LXTVHRRPSA-N 1 2 391.472 -0.638 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001058858462 1073606453 /nfs/dbraw/zinc/60/64/53/1073606453.db2.gz ZOTBMEMMPXHWEH-XJFOESAGSA-N 1 2 377.445 -0.648 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001058858462 1073606446 /nfs/dbraw/zinc/60/64/46/1073606446.db2.gz ZOTBMEMMPXHWEH-XJFOESAGSA-N 1 2 377.445 -0.648 20 0 GBADLO C[C@@H]1OCCO[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058870491 1073622193 /nfs/dbraw/zinc/62/21/93/1073622193.db2.gz BKFJFHRJTYZWIO-NHIYQJMISA-N 1 2 380.445 -0.735 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001058870797 1073621860 /nfs/dbraw/zinc/62/18/60/1073621860.db2.gz PKDWBHSISVSFRJ-PIBJPMOESA-N 1 2 388.468 -0.116 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001058871606 1073622287 /nfs/dbraw/zinc/62/22/87/1073622287.db2.gz FFZTXKVJJQSCQA-LXTVHRRPSA-N 1 2 391.472 -0.638 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058871927 1073622093 /nfs/dbraw/zinc/62/20/93/1073622093.db2.gz SCSWMIMWEAYJJH-LXTVHRRPSA-N 1 2 391.472 -0.815 20 0 GBADLO C[C@H]1CC(=O)N[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001058873306 1073623194 /nfs/dbraw/zinc/62/31/94/1073623194.db2.gz XVHLOIUENSMJSY-KBUPBQIOSA-N 1 2 391.472 -0.625 20 0 GBADLO O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCn2c[nH+]cc2C1 ZINC001058919910 1073678658 /nfs/dbraw/zinc/67/86/58/1073678658.db2.gz CZTBPYUPXKBRGU-DZUCGIPZSA-N 1 2 376.457 -0.050 20 0 GBADLO O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCn2c[nH+]cc2C1 ZINC001058919933 1073678258 /nfs/dbraw/zinc/67/82/58/1073678258.db2.gz CZTBPYUPXKBRGU-SVGFKBNWSA-N 1 2 376.457 -0.050 20 0 GBADLO O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCc2c[nH+]cn2C1 ZINC001058920539 1073679328 /nfs/dbraw/zinc/67/93/28/1073679328.db2.gz PYXCUHKTVMKVKR-DZUCGIPZSA-N 1 2 376.457 -0.050 20 0 GBADLO O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCc2c[nH+]cn2C1 ZINC001058920540 1073679370 /nfs/dbraw/zinc/67/93/70/1073679370.db2.gz PYXCUHKTVMKVKR-SVGFKBNWSA-N 1 2 376.457 -0.050 20 0 GBADLO O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCn2cc[nH+]c2C1 ZINC001058920672 1073679150 /nfs/dbraw/zinc/67/91/50/1073679150.db2.gz ULQCKVMWRQCDJI-FPCVCCKLSA-N 1 2 376.457 -0.050 20 0 GBADLO O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCn2cc[nH+]c2C1 ZINC001058920673 1073679613 /nfs/dbraw/zinc/67/96/13/1073679613.db2.gz ULQCKVMWRQCDJI-JJXSEGSLSA-N 1 2 376.457 -0.050 20 0 GBADLO O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCc2[nH+]ccn2C1 ZINC001058920823 1073679252 /nfs/dbraw/zinc/67/92/52/1073679252.db2.gz ZIRMOKJHUSCRSB-FPCVCCKLSA-N 1 2 376.457 -0.050 20 0 GBADLO O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CCc2[nH+]ccn2C1 ZINC001058920824 1073679200 /nfs/dbraw/zinc/67/92/00/1073679200.db2.gz ZIRMOKJHUSCRSB-JJXSEGSLSA-N 1 2 376.457 -0.050 20 0 GBADLO Cn1cc([C@@H]2C[C@H]2C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001058922483 1073683091 /nfs/dbraw/zinc/68/30/91/1073683091.db2.gz BWINJFKWUWRVBA-ZJIFWQFVSA-N 1 2 386.456 -0.013 20 0 GBADLO Cn1cc([C@@H]2C[C@H]2C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001058922483 1073683087 /nfs/dbraw/zinc/68/30/87/1073683087.db2.gz BWINJFKWUWRVBA-ZJIFWQFVSA-N 1 2 386.456 -0.013 20 0 GBADLO CCC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@@H]21 ZINC001083187689 1072176439 /nfs/dbraw/zinc/17/64/39/1072176439.db2.gz GSPPJMNLHLCHEI-MXASKKJJSA-N 1 2 390.484 -0.068 20 0 GBADLO CCC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@@H]21 ZINC001083187689 1072176432 /nfs/dbraw/zinc/17/64/32/1072176432.db2.gz GSPPJMNLHLCHEI-MXASKKJJSA-N 1 2 390.484 -0.068 20 0 GBADLO COc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)ccn1 ZINC001083191508 1072216244 /nfs/dbraw/zinc/21/62/44/1072216244.db2.gz BEYPQIQVHFOPGR-CAOSSQGBSA-N 1 2 390.440 -0.465 20 0 GBADLO COc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)ccn1 ZINC001083191508 1072216237 /nfs/dbraw/zinc/21/62/37/1072216237.db2.gz BEYPQIQVHFOPGR-CAOSSQGBSA-N 1 2 390.440 -0.465 20 0 GBADLO CCc1nc(C)c(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)o1 ZINC001083191520 1072215919 /nfs/dbraw/zinc/21/59/19/1072215919.db2.gz BRSJIVDJCGYWBU-TTZDDIAXSA-N 1 2 392.456 -0.010 20 0 GBADLO CCc1nc(C)c(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)o1 ZINC001083191520 1072215911 /nfs/dbraw/zinc/21/59/11/1072215911.db2.gz BRSJIVDJCGYWBU-TTZDDIAXSA-N 1 2 392.456 -0.010 20 0 GBADLO COc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)cn1 ZINC001083191523 1072217208 /nfs/dbraw/zinc/21/72/08/1072217208.db2.gz BUMVJCZZTGWZFE-CAOSSQGBSA-N 1 2 390.440 -0.465 20 0 GBADLO COc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)cn1 ZINC001083191523 1072217199 /nfs/dbraw/zinc/21/71/99/1072217199.db2.gz BUMVJCZZTGWZFE-CAOSSQGBSA-N 1 2 390.440 -0.465 20 0 GBADLO CCc1nocc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191524 1072217154 /nfs/dbraw/zinc/21/71/54/1072217154.db2.gz BWFOSZUGFSBPBU-CAOSSQGBSA-N 1 2 378.429 -0.319 20 0 GBADLO CCc1nocc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191524 1072217145 /nfs/dbraw/zinc/21/71/45/1072217145.db2.gz BWFOSZUGFSBPBU-CAOSSQGBSA-N 1 2 378.429 -0.319 20 0 GBADLO Cc1nc(C)c(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)o1 ZINC001083191577 1072218102 /nfs/dbraw/zinc/21/81/02/1072218102.db2.gz FZEDCXQQWRELDU-TTZDDIAXSA-N 1 2 378.429 -0.264 20 0 GBADLO Cc1nc(C)c(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)o1 ZINC001083191577 1072218099 /nfs/dbraw/zinc/21/80/99/1072218099.db2.gz FZEDCXQQWRELDU-TTZDDIAXSA-N 1 2 378.429 -0.264 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@H]32)O1 ZINC001083191613 1072216825 /nfs/dbraw/zinc/21/68/25/1072216825.db2.gz HYIMNZDWMUGZFW-MWDXBVQZSA-N 1 2 391.472 -0.533 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4cnn(C)c4)C[C@@H]32)O1 ZINC001083191613 1072216820 /nfs/dbraw/zinc/21/68/20/1072216820.db2.gz HYIMNZDWMUGZFW-MWDXBVQZSA-N 1 2 391.472 -0.533 20 0 GBADLO CCc1onc(C)c1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191617 1072216938 /nfs/dbraw/zinc/21/69/38/1072216938.db2.gz IBNOEJMINYEIRF-QMCVQRASSA-N 1 2 392.456 -0.010 20 0 GBADLO CCc1onc(C)c1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191617 1072216930 /nfs/dbraw/zinc/21/69/30/1072216930.db2.gz IBNOEJMINYEIRF-QMCVQRASSA-N 1 2 392.456 -0.010 20 0 GBADLO Cc1ncsc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191653 1072216781 /nfs/dbraw/zinc/21/67/81/1072216781.db2.gz JNPIZYFNKASYHR-IGQOVBAYSA-N 1 2 380.470 -0.104 20 0 GBADLO Cc1ncsc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191653 1072216776 /nfs/dbraw/zinc/21/67/76/1072216776.db2.gz JNPIZYFNKASYHR-IGQOVBAYSA-N 1 2 380.470 -0.104 20 0 GBADLO CCc1noc(C)c1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191675 1072218088 /nfs/dbraw/zinc/21/80/88/1072218088.db2.gz KSGWPBOQDUMLPL-MWDXBVQZSA-N 1 2 392.456 -0.010 20 0 GBADLO CCc1noc(C)c1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191675 1072218083 /nfs/dbraw/zinc/21/80/83/1072218083.db2.gz KSGWPBOQDUMLPL-MWDXBVQZSA-N 1 2 392.456 -0.010 20 0 GBADLO COc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)n1 ZINC001083191700 1072217860 /nfs/dbraw/zinc/21/78/60/1072217860.db2.gz MILVDMHDNASCEW-CAOSSQGBSA-N 1 2 390.440 -0.465 20 0 GBADLO COc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)n1 ZINC001083191700 1072217848 /nfs/dbraw/zinc/21/78/48/1072217848.db2.gz MILVDMHDNASCEW-CAOSSQGBSA-N 1 2 390.440 -0.465 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CN(Cc4c[nH+]cn4C)C[C@@H]32)O1 ZINC001083191706 1072217884 /nfs/dbraw/zinc/21/78/84/1072217884.db2.gz MXJDOVONXVHESQ-MWDXBVQZSA-N 1 2 391.472 -0.533 20 0 GBADLO Cc1ncc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)s1 ZINC001083191708 1072218051 /nfs/dbraw/zinc/21/80/51/1072218051.db2.gz NBJOSRHYARECHC-BYNSBNAKSA-N 1 2 380.470 -0.104 20 0 GBADLO Cc1ncc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)s1 ZINC001083191708 1072218048 /nfs/dbraw/zinc/21/80/48/1072218048.db2.gz NBJOSRHYARECHC-BYNSBNAKSA-N 1 2 380.470 -0.104 20 0 GBADLO Cc1nccnc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191766 1072218115 /nfs/dbraw/zinc/21/81/15/1072218115.db2.gz QFCKQLPJRUOCKN-CAOSSQGBSA-N 1 2 375.429 -0.770 20 0 GBADLO Cc1nccnc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191766 1072218113 /nfs/dbraw/zinc/21/81/13/1072218113.db2.gz QFCKQLPJRUOCKN-CAOSSQGBSA-N 1 2 375.429 -0.770 20 0 GBADLO Cc1noc(C)c1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191879 1072218949 /nfs/dbraw/zinc/21/89/49/1072218949.db2.gz XFYSMJNRNKTGMK-CAOSSQGBSA-N 1 2 378.429 -0.264 20 0 GBADLO Cc1noc(C)c1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191879 1072218937 /nfs/dbraw/zinc/21/89/37/1072218937.db2.gz XFYSMJNRNKTGMK-CAOSSQGBSA-N 1 2 378.429 -0.264 20 0 GBADLO Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191880 1072219117 /nfs/dbraw/zinc/21/91/17/1072219117.db2.gz XFZDCAGFHNUKGL-CAOSSQGBSA-N 1 2 377.445 -0.827 20 0 GBADLO Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001083191880 1072219113 /nfs/dbraw/zinc/21/91/13/1072219113.db2.gz XFZDCAGFHNUKGL-CAOSSQGBSA-N 1 2 377.445 -0.827 20 0 GBADLO Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)sn1 ZINC001083191912 1072218691 /nfs/dbraw/zinc/21/86/91/1072218691.db2.gz ZAXZUWOYFILGFL-BYNSBNAKSA-N 1 2 380.470 -0.104 20 0 GBADLO Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)sn1 ZINC001083191912 1072218688 /nfs/dbraw/zinc/21/86/88/1072218688.db2.gz ZAXZUWOYFILGFL-BYNSBNAKSA-N 1 2 380.470 -0.104 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]21 ZINC001083193662 1072239513 /nfs/dbraw/zinc/23/95/13/1072239513.db2.gz BZQBIRSQJLZCGC-FXUDXRNXSA-N 1 2 378.473 -0.757 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]21 ZINC001083193662 1072239501 /nfs/dbraw/zinc/23/95/01/1072239501.db2.gz BZQBIRSQJLZCGC-FXUDXRNXSA-N 1 2 378.473 -0.757 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N4CCCCC4)C[C@@H]32)C1 ZINC001083194002 1072241892 /nfs/dbraw/zinc/24/18/92/1072241892.db2.gz QULQGMAFQBXBNS-LTIDMASMSA-N 1 2 392.500 -0.188 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N4CCCCC4)C[C@@H]32)C1 ZINC001083194002 1072241885 /nfs/dbraw/zinc/24/18/85/1072241885.db2.gz QULQGMAFQBXBNS-LTIDMASMSA-N 1 2 392.500 -0.188 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]21 ZINC001083194161 1072242961 /nfs/dbraw/zinc/24/29/61/1072242961.db2.gz YQQRVLVDVBGBIA-FXUDXRNXSA-N 1 2 378.473 -0.755 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]21 ZINC001083194161 1072242957 /nfs/dbraw/zinc/24/29/57/1072242957.db2.gz YQQRVLVDVBGBIA-FXUDXRNXSA-N 1 2 378.473 -0.755 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001083194256 1072246349 /nfs/dbraw/zinc/24/63/49/1072246349.db2.gz DFEHOTKLLVAUPM-LTIDMASMSA-N 1 2 392.500 -0.365 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001083194256 1072246343 /nfs/dbraw/zinc/24/63/43/1072246343.db2.gz DFEHOTKLLVAUPM-LTIDMASMSA-N 1 2 392.500 -0.365 20 0 GBADLO CN(C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H]2C1)C1CC1 ZINC001083194268 1072246280 /nfs/dbraw/zinc/24/62/80/1072246280.db2.gz DYVGRJLPVXXOBG-BFJAYTPKSA-N 1 2 378.473 -0.580 20 0 GBADLO CN(C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H]2C1)C1CC1 ZINC001083194268 1072246276 /nfs/dbraw/zinc/24/62/76/1072246276.db2.gz DYVGRJLPVXXOBG-BFJAYTPKSA-N 1 2 378.473 -0.580 20 0 GBADLO Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H]2C1 ZINC001083194404 1072246088 /nfs/dbraw/zinc/24/60/88/1072246088.db2.gz MXNQRMDBQGMINP-LTIDMASMSA-N 1 2 375.473 -0.136 20 0 GBADLO Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H]2C1 ZINC001083194404 1072246077 /nfs/dbraw/zinc/24/60/77/1072246077.db2.gz MXNQRMDBQGMINP-LTIDMASMSA-N 1 2 375.473 -0.136 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@@H]32)C1 ZINC001083194575 1072247300 /nfs/dbraw/zinc/24/73/00/1072247300.db2.gz XEZTVAGCZICEJE-FXUDXRNXSA-N 1 2 378.473 -0.578 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N4CCCC4)C[C@@H]32)C1 ZINC001083194575 1072247290 /nfs/dbraw/zinc/24/72/90/1072247290.db2.gz XEZTVAGCZICEJE-FXUDXRNXSA-N 1 2 378.473 -0.578 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@@H]21 ZINC001083194728 1072250006 /nfs/dbraw/zinc/25/00/06/1072250006.db2.gz GWTVXQQGGUDZJV-CBBWQLFWSA-N 1 2 387.440 -0.407 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@@H]21 ZINC001083194728 1072250000 /nfs/dbraw/zinc/25/00/00/1072250000.db2.gz GWTVXQQGGUDZJV-CBBWQLFWSA-N 1 2 387.440 -0.407 20 0 GBADLO CC1CCN(C(=O)C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)CC1 ZINC001083194792 1072251185 /nfs/dbraw/zinc/25/11/85/1072251185.db2.gz KHKNVOSNIVZBEM-FXUDXRNXSA-N 1 2 378.473 -0.722 20 0 GBADLO CC1CCN(C(=O)C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)CC1 ZINC001083194792 1072251174 /nfs/dbraw/zinc/25/11/74/1072251174.db2.gz KHKNVOSNIVZBEM-FXUDXRNXSA-N 1 2 378.473 -0.722 20 0 GBADLO CC(C)(C)n1nnc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)n1 ZINC001083194827 1072251079 /nfs/dbraw/zinc/25/10/79/1072251079.db2.gz MWTXWCSTCUWFNX-ZOBORPQBSA-N 1 2 391.476 -0.996 20 0 GBADLO CC(C)(C)n1nnc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)n1 ZINC001083194827 1072251074 /nfs/dbraw/zinc/25/10/74/1072251074.db2.gz MWTXWCSTCUWFNX-ZOBORPQBSA-N 1 2 391.476 -0.996 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@@H]21 ZINC001083195019 1072252082 /nfs/dbraw/zinc/25/20/82/1072252082.db2.gz XNPCXLOKWWVDQK-FXUDXRNXSA-N 1 2 378.473 -0.578 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@@H]21 ZINC001083195019 1072252074 /nfs/dbraw/zinc/25/20/74/1072252074.db2.gz XNPCXLOKWWVDQK-FXUDXRNXSA-N 1 2 378.473 -0.578 20 0 GBADLO CNC(=O)c1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)c1 ZINC001083195086 1072255294 /nfs/dbraw/zinc/25/52/94/1072255294.db2.gz BEAIAKLTDUQIAS-LTIDMASMSA-N 1 2 386.452 -0.421 20 0 GBADLO CNC(=O)c1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)c1 ZINC001083195086 1072255286 /nfs/dbraw/zinc/25/52/86/1072255286.db2.gz BEAIAKLTDUQIAS-LTIDMASMSA-N 1 2 386.452 -0.421 20 0 GBADLO CN(C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1)C1CCCCC1 ZINC001083195097 1072254926 /nfs/dbraw/zinc/25/49/26/1072254926.db2.gz BUCGTLAFNRCIBU-LTIDMASMSA-N 1 2 392.500 -0.190 20 0 GBADLO CN(C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1)C1CCCCC1 ZINC001083195097 1072254919 /nfs/dbraw/zinc/25/49/19/1072254919.db2.gz BUCGTLAFNRCIBU-LTIDMASMSA-N 1 2 392.500 -0.190 20 0 GBADLO Cc1csc(=O)n1CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 ZINC001083195130 1072255269 /nfs/dbraw/zinc/25/52/69/1072255269.db2.gz DITWXZCHVHTVGY-ZOBORPQBSA-N 1 2 380.470 -0.749 20 0 GBADLO Cc1csc(=O)n1CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 ZINC001083195130 1072255262 /nfs/dbraw/zinc/25/52/62/1072255262.db2.gz DITWXZCHVHTVGY-ZOBORPQBSA-N 1 2 380.470 -0.749 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001083195234 1072254889 /nfs/dbraw/zinc/25/48/89/1072254889.db2.gz JZRQTSXFYYXTPI-WBTNSWJXSA-N 1 2 387.436 -0.009 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001083195234 1072254884 /nfs/dbraw/zinc/25/48/84/1072254884.db2.gz JZRQTSXFYYXTPI-WBTNSWJXSA-N 1 2 387.436 -0.009 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@@H]21 ZINC001083195240 1072255143 /nfs/dbraw/zinc/25/51/43/1072255143.db2.gz KEGYERLWJZEZJB-YQFWSFKMSA-N 1 2 377.416 -0.149 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]21 ZINC001083195240 1072255140 /nfs/dbraw/zinc/25/51/40/1072255140.db2.gz KEGYERLWJZEZJB-YQFWSFKMSA-N 1 2 377.416 -0.149 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCCCC3)C[C@@H]21 ZINC001083195278 1072255881 /nfs/dbraw/zinc/25/58/81/1072255881.db2.gz MNHOPGAOFDFIHA-LTIDMASMSA-N 1 2 392.500 -0.188 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCCCC3)C[C@@H]21 ZINC001083195278 1072255873 /nfs/dbraw/zinc/25/58/73/1072255873.db2.gz MNHOPGAOFDFIHA-LTIDMASMSA-N 1 2 392.500 -0.188 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@@H]21 ZINC001083197199 1072271853 /nfs/dbraw/zinc/27/18/53/1072271853.db2.gz CIACDAREVLQQAT-PXMRGAAZSA-N 1 2 387.440 -0.141 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@@H]21 ZINC001083197199 1072271842 /nfs/dbraw/zinc/27/18/42/1072271842.db2.gz CIACDAREVLQQAT-PXMRGAAZSA-N 1 2 387.440 -0.141 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]21 ZINC001083197561 1072272285 /nfs/dbraw/zinc/27/22/85/1072272285.db2.gz WRQWCMAKQJVNNL-QXSJWSMHSA-N 1 2 387.502 -0.642 20 0 GBADLO C[C@@H]1CCO[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]21 ZINC001083197561 1072272272 /nfs/dbraw/zinc/27/22/72/1072272272.db2.gz WRQWCMAKQJVNNL-QXSJWSMHSA-N 1 2 387.502 -0.642 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 ZINC001083198358 1072283212 /nfs/dbraw/zinc/28/32/12/1072283212.db2.gz PLCXENNXOQVGQT-RJZRQDKASA-N 1 2 387.444 -0.943 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]21 ZINC001083198367 1072283149 /nfs/dbraw/zinc/28/31/49/1072283149.db2.gz PWJVNGNTMFABEO-LUYZLQTOSA-N 1 2 382.486 -0.520 20 0 GBADLO CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C[C@@H]21 ZINC001083199808 1072290333 /nfs/dbraw/zinc/29/03/33/1072290333.db2.gz XNUZLQNCGLEOJV-MXASKKJJSA-N 1 2 392.500 -0.332 20 0 GBADLO CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCC(C(N)=O)CC3)C[C@@H]21 ZINC001083199808 1072290319 /nfs/dbraw/zinc/29/03/19/1072290319.db2.gz XNUZLQNCGLEOJV-MXASKKJJSA-N 1 2 392.500 -0.332 20 0 GBADLO CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCN(C(C)=O)CC3)C[C@@H]21 ZINC001083199841 1072290509 /nfs/dbraw/zinc/29/05/09/1072290509.db2.gz ZCLCJHXRFJFRGD-ZJPYXAASSA-N 1 2 392.500 -0.365 20 0 GBADLO CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCN(C(C)=O)CC3)C[C@@H]21 ZINC001083199841 1072290497 /nfs/dbraw/zinc/29/04/97/1072290497.db2.gz ZCLCJHXRFJFRGD-ZJPYXAASSA-N 1 2 392.500 -0.365 20 0 GBADLO CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@@H]21 ZINC001083199844 1072290653 /nfs/dbraw/zinc/29/06/53/1072290653.db2.gz ZJLZXYKOJUQEMY-DMRZNYOFSA-N 1 2 376.457 -0.458 20 0 GBADLO CC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@@H]21 ZINC001083199844 1072290647 /nfs/dbraw/zinc/29/06/47/1072290647.db2.gz ZJLZXYKOJUQEMY-DMRZNYOFSA-N 1 2 376.457 -0.458 20 0 GBADLO C[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCN4CCCS4(=O)=O)C[C@@H]32)O1 ZINC001083199876 1072294759 /nfs/dbraw/zinc/29/47/59/1072294759.db2.gz BDSXDKQHEXMCLP-QKPAOTATSA-N 1 2 387.502 -0.499 20 0 GBADLO C[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCN4CCCS4(=O)=O)C[C@@H]32)O1 ZINC001083199876 1072294747 /nfs/dbraw/zinc/29/47/47/1072294747.db2.gz BDSXDKQHEXMCLP-QKPAOTATSA-N 1 2 387.502 -0.499 20 0 GBADLO C[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cc(=O)n(C)c(=O)n4C)C[C@@H]32)O1 ZINC001083200467 1072298381 /nfs/dbraw/zinc/29/83/81/1072298381.db2.gz HNNGEAFPJLLZEW-SLBVQIDZSA-N 1 2 392.456 -0.937 20 0 GBADLO C[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4cc(=O)n(C)c(=O)n4C)C[C@@H]32)O1 ZINC001083200467 1072298375 /nfs/dbraw/zinc/29/83/75/1072298375.db2.gz HNNGEAFPJLLZEW-SLBVQIDZSA-N 1 2 392.456 -0.937 20 0 GBADLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCO[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]21 ZINC001083201311 1072323698 /nfs/dbraw/zinc/32/36/98/1072323698.db2.gz DKJPZGSDUWXXJH-UHDSXZAQSA-N 1 2 399.513 -0.499 20 0 GBADLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCO[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]21 ZINC001083201311 1072323686 /nfs/dbraw/zinc/32/36/86/1072323686.db2.gz DKJPZGSDUWXXJH-UHDSXZAQSA-N 1 2 399.513 -0.499 20 0 GBADLO Cn1c(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@H]4C4CC4)[C@H]3C2)cc(=O)n(C)c1=O ZINC001083220058 1072617787 /nfs/dbraw/zinc/61/77/87/1072617787.db2.gz AMQPTYUFDCDUAO-VVLHAWIVSA-N 1 2 388.468 -0.458 20 0 GBADLO Cn1c(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@H]4C4CC4)[C@H]3C2)cc(=O)n(C)c1=O ZINC001083220058 1072617781 /nfs/dbraw/zinc/61/77/81/1072617781.db2.gz AMQPTYUFDCDUAO-VVLHAWIVSA-N 1 2 388.468 -0.458 20 0 GBADLO O=C([C@@H]1C[C@H]1C1CC1)N1CCO[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]21 ZINC001083220183 1072619042 /nfs/dbraw/zinc/61/90/42/1072619042.db2.gz IMQNTBJGAZMOKJ-VVLHAWIVSA-N 1 2 383.514 -0.020 20 0 GBADLO O=C([C@@H]1C[C@H]1C1CC1)N1CCO[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]21 ZINC001083220183 1072619039 /nfs/dbraw/zinc/61/90/39/1072619039.db2.gz IMQNTBJGAZMOKJ-VVLHAWIVSA-N 1 2 383.514 -0.020 20 0 GBADLO C[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087181143 1072236953 /nfs/dbraw/zinc/23/69/53/1072236953.db2.gz CHKOOUOLGTYSCO-APIJFGDWSA-N 1 2 380.493 -0.456 20 0 GBADLO C[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087192033 1072272238 /nfs/dbraw/zinc/27/22/38/1072272238.db2.gz UJMKIUIJGGDNCG-BARDWOONSA-N 1 2 393.492 -0.260 20 0 GBADLO C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087193639 1072279999 /nfs/dbraw/zinc/27/99/99/1072279999.db2.gz DDDOAIITWGCQPM-JLHDYFKBSA-N 1 2 378.477 -0.022 20 0 GBADLO C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087212144 1072361875 /nfs/dbraw/zinc/36/18/75/1072361875.db2.gz PAQNKBPZWWXMGB-CBBWQLFWSA-N 1 2 393.492 -0.437 20 0 GBADLO CNC(=O)Cc1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001087214444 1072367891 /nfs/dbraw/zinc/36/78/91/1072367891.db2.gz VEQUMLWOBOCPIR-XQHKEYJVSA-N 1 2 392.460 -0.804 20 0 GBADLO Cn1nncc1C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001087258631 1072613773 /nfs/dbraw/zinc/61/37/73/1072613773.db2.gz UBWJGKMZNLYZHG-RBUCKAEESA-N 1 2 385.428 -0.360 20 0 GBADLO CNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001087437110 1073664817 /nfs/dbraw/zinc/66/48/17/1073664817.db2.gz ASVXSRJAURXCLN-WCXIOVBPSA-N 1 2 388.468 -0.260 20 0 GBADLO CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001087437110 1073664806 /nfs/dbraw/zinc/66/48/06/1073664806.db2.gz ASVXSRJAURXCLN-WCXIOVBPSA-N 1 2 388.468 -0.260 20 0 GBADLO CNC(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087458110 1073887028 /nfs/dbraw/zinc/88/70/28/1073887028.db2.gz JVLIZKUAXMIPGO-LVQVYYBASA-N 1 2 376.432 -0.033 20 0 GBADLO CNC(=O)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087458110 1073887016 /nfs/dbraw/zinc/88/70/16/1073887016.db2.gz JVLIZKUAXMIPGO-LVQVYYBASA-N 1 2 376.432 -0.033 20 0 GBADLO CNC(=O)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087467813 1072939017 /nfs/dbraw/zinc/93/90/17/1072939017.db2.gz RGNVCJNQOVSSTK-LVQVYYBASA-N 1 2 376.432 -0.033 20 0 GBADLO CNC(=O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087467813 1072939010 /nfs/dbraw/zinc/93/90/10/1072939010.db2.gz RGNVCJNQOVSSTK-LVQVYYBASA-N 1 2 376.432 -0.033 20 0 GBADLO CCOc1ccc([C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)cc1 ZINC001087471218 1073014090 /nfs/dbraw/zinc/01/40/90/1073014090.db2.gz ULQDDJWTQXHDNR-YVSFHVDLSA-N 1 2 388.468 -0.034 20 0 GBADLO CCOc1ccc([C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)cc1 ZINC001087471218 1073014079 /nfs/dbraw/zinc/01/40/79/1073014079.db2.gz ULQDDJWTQXHDNR-YVSFHVDLSA-N 1 2 388.468 -0.034 20 0 GBADLO CNC(=O)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087476072 1073031834 /nfs/dbraw/zinc/03/18/34/1073031834.db2.gz RKHIYBPXCMUNSG-YVSFHVDLSA-N 1 2 388.468 -0.163 20 0 GBADLO CNC(=O)C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001087476072 1073031824 /nfs/dbraw/zinc/03/18/24/1073031824.db2.gz RKHIYBPXCMUNSG-YVSFHVDLSA-N 1 2 388.468 -0.163 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@H+]1Cc1nc(CC(=O)NC)no1 ZINC001087580154 1073297557 /nfs/dbraw/zinc/29/75/57/1073297557.db2.gz QKSGSRDKPWTEDW-JWXAPSBJSA-N 1 2 377.445 -0.136 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+]1Cc1nc(CC(=O)NC)no1 ZINC001087580154 1073297553 /nfs/dbraw/zinc/29/75/53/1073297553.db2.gz QKSGSRDKPWTEDW-JWXAPSBJSA-N 1 2 377.445 -0.136 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087622592 1073299437 /nfs/dbraw/zinc/29/94/37/1073299437.db2.gz VMGWTXQGPMZLCX-YYIAUSFCSA-N 1 2 382.505 -0.467 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087622592 1073299431 /nfs/dbraw/zinc/29/94/31/1073299431.db2.gz VMGWTXQGPMZLCX-YYIAUSFCSA-N 1 2 382.505 -0.467 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087669365 1073301672 /nfs/dbraw/zinc/30/16/72/1073301672.db2.gz BHWIADHKOQNQJR-GRYWWWGRSA-N 1 2 379.461 -0.371 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087669365 1073301666 /nfs/dbraw/zinc/30/16/66/1073301666.db2.gz BHWIADHKOQNQJR-GRYWWWGRSA-N 1 2 379.461 -0.371 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC[N@H+]1Cc1cn(C)nn1 ZINC001087723773 1073305970 /nfs/dbraw/zinc/30/59/70/1073305970.db2.gz DJNMUJKYHIDORW-JJXSEGSLSA-N 1 2 378.477 -0.080 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC[N@@H+]1Cc1cn(C)nn1 ZINC001087723773 1073305962 /nfs/dbraw/zinc/30/59/62/1073305962.db2.gz DJNMUJKYHIDORW-JJXSEGSLSA-N 1 2 378.477 -0.080 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC[N@H+]1CCS(C)(=O)=O ZINC001087724053 1073306276 /nfs/dbraw/zinc/30/62/76/1073306276.db2.gz TVNVNTLWYOIRMD-YJNKXOJESA-N 1 2 389.518 -0.364 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC[N@@H+]1CCS(C)(=O)=O ZINC001087724053 1073306271 /nfs/dbraw/zinc/30/62/71/1073306271.db2.gz TVNVNTLWYOIRMD-YJNKXOJESA-N 1 2 389.518 -0.364 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1CC(=O)Nc1cc(C)nn1C ZINC001087728514 1073306829 /nfs/dbraw/zinc/30/68/29/1073306829.db2.gz AMLOJBYEZXUXHR-ZOBORPQBSA-N 1 2 376.461 -0.242 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1CC(=O)Nc1cc(C)nn1C ZINC001087728514 1073306824 /nfs/dbraw/zinc/30/68/24/1073306824.db2.gz AMLOJBYEZXUXHR-ZOBORPQBSA-N 1 2 376.461 -0.242 20 0 GBADLO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nc(=O)n(C)[nH]4)CC[C@@H]3C2)C1 ZINC001087969383 1073337698 /nfs/dbraw/zinc/33/76/98/1073337698.db2.gz RRBFJARGJCNRIX-YIYPIFLZSA-N 1 2 376.461 -0.697 20 0 GBADLO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(=O)n(C)[nH]4)CC[C@@H]3C2)C1 ZINC001087969383 1073337695 /nfs/dbraw/zinc/33/76/95/1073337695.db2.gz RRBFJARGJCNRIX-YIYPIFLZSA-N 1 2 376.461 -0.697 20 0 GBADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4COC5)C[C@@H]3C2)n1 ZINC001087973918 1073339038 /nfs/dbraw/zinc/33/90/38/1073339038.db2.gz ZEVNAXUKDVRWPW-BZIRYSOJSA-N 1 2 389.456 -0.325 20 0 GBADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4COC5)C[C@@H]3C2)n1 ZINC001087973918 1073339034 /nfs/dbraw/zinc/33/90/34/1073339034.db2.gz ZEVNAXUKDVRWPW-BZIRYSOJSA-N 1 2 389.456 -0.325 20 0 GBADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnc4n3CCOC4)CC[C@@H]2C1 ZINC001087998391 1073372352 /nfs/dbraw/zinc/37/23/52/1073372352.db2.gz FTVBRRVPZSPVDC-KRXQYRFLSA-N 1 2 391.472 -0.108 20 0 GBADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCOC4)CC[C@@H]2C1 ZINC001087998391 1073372339 /nfs/dbraw/zinc/37/23/39/1073372339.db2.gz FTVBRRVPZSPVDC-KRXQYRFLSA-N 1 2 391.472 -0.108 20 0 GBADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3cnccn3)CC[C@@H]2C1 ZINC001087998676 1073372557 /nfs/dbraw/zinc/37/25/57/1073372557.db2.gz VGWHGXXWUUUMFH-KRXQYRFLSA-N 1 2 389.456 -0.001 20 0 GBADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3cnccn3)CC[C@@H]2C1 ZINC001087998676 1073372553 /nfs/dbraw/zinc/37/25/53/1073372553.db2.gz VGWHGXXWUUUMFH-KRXQYRFLSA-N 1 2 389.456 -0.001 20 0 GBADLO Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1 ZINC001088043389 1073388956 /nfs/dbraw/zinc/38/89/56/1073388956.db2.gz ONIRWHGISGTINZ-WTTBNOFXSA-N 1 2 390.488 -0.092 20 0 GBADLO Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1 ZINC001088043389 1073388951 /nfs/dbraw/zinc/38/89/51/1073388951.db2.gz ONIRWHGISGTINZ-WTTBNOFXSA-N 1 2 390.488 -0.092 20 0 GBADLO Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088044582 1073389531 /nfs/dbraw/zinc/38/95/31/1073389531.db2.gz AIQFKGFRNFYDBX-QXSJWSMHSA-N 1 2 390.488 -0.092 20 0 GBADLO Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088044582 1073389522 /nfs/dbraw/zinc/38/95/22/1073389522.db2.gz AIQFKGFRNFYDBX-QXSJWSMHSA-N 1 2 390.488 -0.092 20 0 GBADLO Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088044887 1073387989 /nfs/dbraw/zinc/38/79/89/1073387989.db2.gz OPJNDBHCULGXNX-BARDWOONSA-N 1 2 391.476 -0.697 20 0 GBADLO Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088044887 1073387984 /nfs/dbraw/zinc/38/79/84/1073387984.db2.gz OPJNDBHCULGXNX-BARDWOONSA-N 1 2 391.476 -0.697 20 0 GBADLO Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088045008 1073388188 /nfs/dbraw/zinc/38/81/88/1073388188.db2.gz VIPAQSNZEBMCAI-QXSJWSMHSA-N 1 2 390.488 -0.092 20 0 GBADLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088045008 1073388182 /nfs/dbraw/zinc/38/81/82/1073388182.db2.gz VIPAQSNZEBMCAI-QXSJWSMHSA-N 1 2 390.488 -0.092 20 0 GBADLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088050086 1073392473 /nfs/dbraw/zinc/39/24/73/1073392473.db2.gz OVQOFNGDTQQWSW-LXTVHRRPSA-N 1 2 385.472 -0.074 20 0 GBADLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088050086 1073392468 /nfs/dbraw/zinc/39/24/68/1073392468.db2.gz OVQOFNGDTQQWSW-LXTVHRRPSA-N 1 2 385.472 -0.074 20 0 GBADLO Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2C1 ZINC001088050736 1073392161 /nfs/dbraw/zinc/39/21/61/1073392161.db2.gz UCTAJPIEUZFZRY-JLHDYFKBSA-N 1 2 376.461 -0.458 20 0 GBADLO Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2C1 ZINC001088050736 1073392156 /nfs/dbraw/zinc/39/21/56/1073392156.db2.gz UCTAJPIEUZFZRY-JLHDYFKBSA-N 1 2 376.461 -0.458 20 0 GBADLO Cn1[nH]c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]3C2)nc1=O ZINC001088051242 1073394817 /nfs/dbraw/zinc/39/48/17/1073394817.db2.gz VJJKWZFTIGYRFU-JLHDYFKBSA-N 1 2 391.472 -0.560 20 0 GBADLO Cn1[nH]c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]3C2)nc1=O ZINC001088051242 1073394808 /nfs/dbraw/zinc/39/48/08/1073394808.db2.gz VJJKWZFTIGYRFU-JLHDYFKBSA-N 1 2 391.472 -0.560 20 0 GBADLO CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104267 1073463328 /nfs/dbraw/zinc/46/33/28/1073463328.db2.gz BCEWOWVVRFFTFI-CBBWQLFWSA-N 1 2 376.461 -0.389 20 0 GBADLO CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104267 1073463319 /nfs/dbraw/zinc/46/33/19/1073463319.db2.gz BCEWOWVVRFFTFI-CBBWQLFWSA-N 1 2 376.461 -0.389 20 0 GBADLO CN(C)c1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1 ZINC001088104382 1073463796 /nfs/dbraw/zinc/46/37/96/1073463796.db2.gz GWJWUHZFMNBMBE-ZOBORPQBSA-N 1 2 392.460 -0.551 20 0 GBADLO CN(C)c1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1 ZINC001088104382 1073463789 /nfs/dbraw/zinc/46/37/89/1073463789.db2.gz GWJWUHZFMNBMBE-ZOBORPQBSA-N 1 2 392.460 -0.551 20 0 GBADLO CCn1c(C)nnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104435 1073463706 /nfs/dbraw/zinc/46/37/06/1073463706.db2.gz ISEMSMZENHAIGS-FXUDXRNXSA-N 1 2 390.488 -0.080 20 0 GBADLO CCn1c(C)nnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104435 1073463698 /nfs/dbraw/zinc/46/36/98/1073463698.db2.gz ISEMSMZENHAIGS-FXUDXRNXSA-N 1 2 390.488 -0.080 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C5CC5)[nH]4)CC[C@@H]3C2)O1 ZINC001088104438 1073463391 /nfs/dbraw/zinc/46/33/91/1073463391.db2.gz IUUVONFNAQPCEH-CBBWQLFWSA-N 1 2 388.472 -0.005 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C5CC5)[nH]4)CC[C@@H]3C2)O1 ZINC001088104438 1073463385 /nfs/dbraw/zinc/46/33/85/1073463385.db2.gz IUUVONFNAQPCEH-CBBWQLFWSA-N 1 2 388.472 -0.005 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)n4)CC[C@@H]3C2)O1 ZINC001088104488 1073464011 /nfs/dbraw/zinc/46/40/11/1073464011.db2.gz LGDCLXBURCZVCX-YQFWSFKMSA-N 1 2 390.488 -0.269 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)n4)CC[C@@H]3C2)O1 ZINC001088104488 1073464000 /nfs/dbraw/zinc/46/40/00/1073464000.db2.gz LGDCLXBURCZVCX-YQFWSFKMSA-N 1 2 390.488 -0.269 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4C)CC[C@@H]3C2)O1 ZINC001088104492 1073464102 /nfs/dbraw/zinc/46/41/02/1073464102.db2.gz LLKZNFKQJSCAEM-FXUDXRNXSA-N 1 2 390.488 -0.269 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C)CC[C@@H]3C2)O1 ZINC001088104492 1073464095 /nfs/dbraw/zinc/46/40/95/1073464095.db2.gz LLKZNFKQJSCAEM-FXUDXRNXSA-N 1 2 390.488 -0.269 20 0 GBADLO CC(C)n1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104572 1073463907 /nfs/dbraw/zinc/46/39/07/1073463907.db2.gz PJDJVNUGEYSBFM-CBBWQLFWSA-N 1 2 391.476 -0.433 20 0 GBADLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104572 1073463900 /nfs/dbraw/zinc/46/39/00/1073463900.db2.gz PJDJVNUGEYSBFM-CBBWQLFWSA-N 1 2 391.476 -0.433 20 0 GBADLO CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1C ZINC001088104604 1073464119 /nfs/dbraw/zinc/46/41/19/1073464119.db2.gz QWPNTYKFVHIZJZ-CBBWQLFWSA-N 1 2 390.488 -0.309 20 0 GBADLO CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1C ZINC001088104604 1073464114 /nfs/dbraw/zinc/46/41/14/1073464114.db2.gz QWPNTYKFVHIZJZ-CBBWQLFWSA-N 1 2 390.488 -0.309 20 0 GBADLO CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1 ZINC001088104615 1073463659 /nfs/dbraw/zinc/46/36/59/1073463659.db2.gz RCUAJMWAACYXSX-BFJAYTPKSA-N 1 2 376.461 -0.389 20 0 GBADLO CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1 ZINC001088104615 1073463655 /nfs/dbraw/zinc/46/36/55/1073463655.db2.gz RCUAJMWAACYXSX-BFJAYTPKSA-N 1 2 376.461 -0.389 20 0 GBADLO COCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1 ZINC001088104668 1073463879 /nfs/dbraw/zinc/46/38/79/1073463879.db2.gz UFIXHWGJTOUZLV-ZOBORPQBSA-N 1 2 393.444 -0.471 20 0 GBADLO COCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1 ZINC001088104668 1073463872 /nfs/dbraw/zinc/46/38/72/1073463872.db2.gz UFIXHWGJTOUZLV-ZOBORPQBSA-N 1 2 393.444 -0.471 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)CC[C@@H]3C2)O1 ZINC001088104703 1073463685 /nfs/dbraw/zinc/46/36/85/1073463685.db2.gz WIBLJEGVORFQEE-BFJAYTPKSA-N 1 2 377.445 -0.014 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)CC[C@@H]3C2)O1 ZINC001088104703 1073463679 /nfs/dbraw/zinc/46/36/79/1073463679.db2.gz WIBLJEGVORFQEE-BFJAYTPKSA-N 1 2 377.445 -0.014 20 0 GBADLO CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)o1 ZINC001088104732 1073463943 /nfs/dbraw/zinc/46/39/43/1073463943.db2.gz XSHIBAYJOCTDRP-ZOBORPQBSA-N 1 2 377.445 -0.055 20 0 GBADLO CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)o1 ZINC001088104732 1073463932 /nfs/dbraw/zinc/46/39/32/1073463932.db2.gz XSHIBAYJOCTDRP-ZOBORPQBSA-N 1 2 377.445 -0.055 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnnn4C4CC4)CC[C@@H]3C2)O1 ZINC001088104773 1073465145 /nfs/dbraw/zinc/46/51/45/1073465145.db2.gz ZLFZCVNLUNXWNZ-PAPYEOQZSA-N 1 2 389.460 -0.679 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnnn4C4CC4)CC[C@@H]3C2)O1 ZINC001088104773 1073465141 /nfs/dbraw/zinc/46/51/41/1073465141.db2.gz ZLFZCVNLUNXWNZ-PAPYEOQZSA-N 1 2 389.460 -0.679 20 0 GBADLO CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104827 1073464795 /nfs/dbraw/zinc/46/47/95/1073464795.db2.gz CYDQJRGBOQBESH-CBBWQLFWSA-N 1 2 391.476 -0.604 20 0 GBADLO CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104827 1073464789 /nfs/dbraw/zinc/46/47/89/1073464789.db2.gz CYDQJRGBOQBESH-CBBWQLFWSA-N 1 2 391.476 -0.604 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnnn4C)CC[C@@H]3C2)O1 ZINC001088104952 1073464485 /nfs/dbraw/zinc/46/44/85/1073464485.db2.gz KSTVZRZYOFWBNT-CBBWQLFWSA-N 1 2 391.476 -0.874 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnnn4C)CC[C@@H]3C2)O1 ZINC001088104952 1073464480 /nfs/dbraw/zinc/46/44/80/1073464480.db2.gz KSTVZRZYOFWBNT-CBBWQLFWSA-N 1 2 391.476 -0.874 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)Nc4ccon4)CC[C@@H]3C2)O1 ZINC001088105075 1073465078 /nfs/dbraw/zinc/46/50/78/1073465078.db2.gz QVULXYDTERXHDM-ZOBORPQBSA-N 1 2 391.428 -0.574 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)Nc4ccon4)CC[C@@H]3C2)O1 ZINC001088105075 1073465074 /nfs/dbraw/zinc/46/50/74/1073465074.db2.gz QVULXYDTERXHDM-ZOBORPQBSA-N 1 2 391.428 -0.574 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nncn4C)CC[C@@H]3C2)O1 ZINC001088105134 1073464984 /nfs/dbraw/zinc/46/49/84/1073464984.db2.gz UYGLXNWNYDIOIN-FXUDXRNXSA-N 1 2 390.488 -0.269 20 0 GBADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nncn4C)CC[C@@H]3C2)O1 ZINC001088105134 1073464978 /nfs/dbraw/zinc/46/49/78/1073464978.db2.gz UYGLXNWNYDIOIN-FXUDXRNXSA-N 1 2 390.488 -0.269 20 0 GBADLO CCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1 ZINC001088105198 1073464605 /nfs/dbraw/zinc/46/46/05/1073464605.db2.gz XVOZQKVINPIMBO-ZOBORPQBSA-N 1 2 377.445 -0.055 20 0 GBADLO CCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1 ZINC001088105198 1073464598 /nfs/dbraw/zinc/46/45/98/1073464598.db2.gz XVOZQKVINPIMBO-ZOBORPQBSA-N 1 2 377.445 -0.055 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088107937 1073464773 /nfs/dbraw/zinc/46/47/73/1073464773.db2.gz XYMNHPHVCIRYMN-RQJABVFESA-N 1 2 376.461 -0.887 20 0 GBADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088107937 1073464769 /nfs/dbraw/zinc/46/47/69/1073464769.db2.gz XYMNHPHVCIRYMN-RQJABVFESA-N 1 2 376.461 -0.887 20 0 GBADLO COCCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)n1 ZINC001088108008 1073464811 /nfs/dbraw/zinc/46/48/11/1073464811.db2.gz AVTKIIHBXODYBK-RQJABVFESA-N 1 2 377.445 -0.340 20 0 GBADLO COCCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)n1 ZINC001088108008 1073464808 /nfs/dbraw/zinc/46/48/08/1073464808.db2.gz AVTKIIHBXODYBK-RQJABVFESA-N 1 2 377.445 -0.340 20 0 GBADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 ZINC001088108039 1073465033 /nfs/dbraw/zinc/46/50/33/1073465033.db2.gz CGDHMLAERFJUQB-RQJABVFESA-N 1 2 375.477 -0.170 20 0 GBADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 ZINC001088108039 1073465029 /nfs/dbraw/zinc/46/50/29/1073465029.db2.gz CGDHMLAERFJUQB-RQJABVFESA-N 1 2 375.477 -0.170 20 0 GBADLO Cn1[nH]c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)C[C@@H]3C2)nc1=O ZINC001088108215 1073465266 /nfs/dbraw/zinc/46/52/66/1073465266.db2.gz MLOTYFJCLJKUHO-RQJABVFESA-N 1 2 376.461 -0.710 20 0 GBADLO Cn1[nH]c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)C[C@@H]3C2)nc1=O ZINC001088108215 1073465261 /nfs/dbraw/zinc/46/52/61/1073465261.db2.gz MLOTYFJCLJKUHO-RQJABVFESA-N 1 2 376.461 -0.710 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3nccs3)CC[C@@H]2C1 ZINC001088108318 1073465837 /nfs/dbraw/zinc/46/58/37/1073465837.db2.gz SOYUYPWFKLMFEC-XQHKEYJVSA-N 1 2 377.470 -0.017 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3nccs3)CC[C@@H]2C1 ZINC001088108318 1073465833 /nfs/dbraw/zinc/46/58/33/1073465833.db2.gz SOYUYPWFKLMFEC-XQHKEYJVSA-N 1 2 377.470 -0.017 20 0 GBADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)on1 ZINC001088108428 1073466458 /nfs/dbraw/zinc/46/64/58/1073466458.db2.gz ZTRQSKBRIHJFKK-RQJABVFESA-N 1 2 375.429 -0.177 20 0 GBADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)on1 ZINC001088108428 1073466453 /nfs/dbraw/zinc/46/64/53/1073466453.db2.gz ZTRQSKBRIHJFKK-RQJABVFESA-N 1 2 375.429 -0.177 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)CC[C@@H]2C1 ZINC001088108458 1073466296 /nfs/dbraw/zinc/46/62/96/1073466296.db2.gz BPYWBKRDRLOKHG-OSRDXIQISA-N 1 2 384.440 -0.576 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)CC[C@@H]2C1 ZINC001088108458 1073466291 /nfs/dbraw/zinc/46/62/91/1073466291.db2.gz BPYWBKRDRLOKHG-OSRDXIQISA-N 1 2 384.440 -0.576 20 0 GBADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)no1 ZINC001088108536 1073466043 /nfs/dbraw/zinc/46/60/43/1073466043.db2.gz FZERFSYBFZPLBG-RQJABVFESA-N 1 2 375.429 -0.177 20 0 GBADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)no1 ZINC001088108536 1073466035 /nfs/dbraw/zinc/46/60/35/1073466035.db2.gz FZERFSYBFZPLBG-RQJABVFESA-N 1 2 375.429 -0.177 20 0 GBADLO CCCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 ZINC001088109173 1073465988 /nfs/dbraw/zinc/46/59/88/1073465988.db2.gz OVWFXXVXGXTQKZ-BARDWOONSA-N 1 2 375.477 -0.125 20 0 GBADLO CCCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 ZINC001088109173 1073465981 /nfs/dbraw/zinc/46/59/81/1073465981.db2.gz OVWFXXVXGXTQKZ-BARDWOONSA-N 1 2 375.477 -0.125 20 0 GBADLO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088111664 1073467254 /nfs/dbraw/zinc/46/72/54/1073467254.db2.gz MXLNWVIFBRBXMO-LXTVHRRPSA-N 1 2 385.472 -0.074 20 0 GBADLO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088111664 1073467249 /nfs/dbraw/zinc/46/72/49/1073467249.db2.gz MXLNWVIFBRBXMO-LXTVHRRPSA-N 1 2 385.472 -0.074 20 0 GBADLO Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3C[N@H+](Cc4nc(=O)n(C)[nH]4)CC[C@@H]3C2)cn1 ZINC001088115331 1073468239 /nfs/dbraw/zinc/46/82/39/1073468239.db2.gz LNUCFEJXLRQMNN-SYAUCNOPSA-N 1 2 385.472 -0.074 20 0 GBADLO Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(=O)n(C)[nH]4)CC[C@@H]3C2)cn1 ZINC001088115331 1073468234 /nfs/dbraw/zinc/46/82/34/1073468234.db2.gz LNUCFEJXLRQMNN-SYAUCNOPSA-N 1 2 385.472 -0.074 20 0 GBADLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001088574043 1073940784 /nfs/dbraw/zinc/94/07/84/1073940784.db2.gz ZHBLWGQRQFOPLL-LLDVTBCESA-N 1 2 380.489 -0.415 20 0 GBADLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001088574043 1073940782 /nfs/dbraw/zinc/94/07/82/1073940782.db2.gz ZHBLWGQRQFOPLL-LLDVTBCESA-N 1 2 380.489 -0.415 20 0 GBADLO Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C2 ZINC001098158566 1073644565 /nfs/dbraw/zinc/64/45/65/1073644565.db2.gz QPAXQHCAXSWFNW-RTXFEEFZSA-N 1 2 375.433 -0.633 20 0 GBADLO Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C2 ZINC001098158566 1073644562 /nfs/dbraw/zinc/64/45/62/1073644562.db2.gz QPAXQHCAXSWFNW-RTXFEEFZSA-N 1 2 375.433 -0.633 20 0 GBADLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCC(=O)NC2=O)C3)on1 ZINC001098165407 1072656797 /nfs/dbraw/zinc/65/67/97/1072656797.db2.gz AWQHOCJLJMMSAE-RTXFEEFZSA-N 1 2 377.401 -0.153 20 0 GBADLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCC(=O)NC2=O)C3)on1 ZINC001098165407 1072656792 /nfs/dbraw/zinc/65/67/92/1072656792.db2.gz AWQHOCJLJMMSAE-RTXFEEFZSA-N 1 2 377.401 -0.153 20 0 GBADLO C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104346437 1072571838 /nfs/dbraw/zinc/57/18/38/1072571838.db2.gz AXOILGSSCHSTKU-KBUPBQIOSA-N 1 2 380.493 -0.598 20 0 GBADLO C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104430909 1072406826 /nfs/dbraw/zinc/40/68/26/1072406826.db2.gz GUWDAGYSQKLXKX-TUVASFSCSA-N 1 2 393.492 -0.403 20 0 GBADLO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104444478 1072436900 /nfs/dbraw/zinc/43/69/00/1072436900.db2.gz UXYJQKYMHODEBX-LFYQSXPISA-N 1 2 378.477 -0.164 20 0 GBADLO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104675547 1073060162 /nfs/dbraw/zinc/06/01/62/1073060162.db2.gz WLUGQBAQAKROMY-APIJFGDWSA-N 1 2 393.492 -0.580 20 0 GBADLO COCCc1nc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)no1 ZINC001104686396 1073066068 /nfs/dbraw/zinc/06/60/68/1073066068.db2.gz GMNSZABNSOHDRJ-SYQHCUMBSA-N 1 2 379.461 -0.046 20 0 GBADLO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001104686790 1073065990 /nfs/dbraw/zinc/06/59/90/1073065990.db2.gz PUFHNVILXSUKFR-GBOPCIDUSA-N 1 2 386.456 -0.282 20 0 GBADLO O=C(C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1)N1CCC1 ZINC001105285042 1073335775 /nfs/dbraw/zinc/33/57/75/1073335775.db2.gz BAHHGBKAMBRSEN-OCABDXPQSA-N 1 2 386.456 -0.593 20 0 GBADLO CNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 ZINC001105285152 1073335299 /nfs/dbraw/zinc/33/52/99/1073335299.db2.gz GJFDDLLOLGKUPH-GUYJKWIASA-N 1 2 376.461 -0.299 20 0 GBADLO CNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 ZINC001105285153 1073335251 /nfs/dbraw/zinc/33/52/51/1073335251.db2.gz GJFDDLLOLGKUPH-GVAFMPQTSA-N 1 2 376.461 -0.299 20 0 GBADLO CN(C)C(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 ZINC001105285196 1073335520 /nfs/dbraw/zinc/33/55/20/1073335520.db2.gz HNPXPFWDMWZUCF-YLQAJVPDSA-N 1 2 376.461 -0.346 20 0 GBADLO CC[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1)C(N)=O ZINC001105285211 1073335400 /nfs/dbraw/zinc/33/54/00/1073335400.db2.gz IKBFMOOPUYCULR-DANNLKNASA-N 1 2 376.461 -0.170 20 0 GBADLO CC[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1)C(N)=O ZINC001105285212 1073335507 /nfs/dbraw/zinc/33/55/07/1073335507.db2.gz IKBFMOOPUYCULR-VCOSZWKGSA-N 1 2 376.461 -0.170 20 0 GBADLO O=C(C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1)NC1CC1 ZINC001105285293 1073335390 /nfs/dbraw/zinc/33/53/90/1073335390.db2.gz LMCKWFUNWPRLAK-OCABDXPQSA-N 1 2 386.456 -0.547 20 0 GBADLO CS(=O)(=O)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105285420 1073336519 /nfs/dbraw/zinc/33/65/19/1073336519.db2.gz NABZCVBOIFZOKQ-LEOABGAYSA-N 1 2 395.485 -0.781 20 0 GBADLO CCN(C)C(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105285567 1073336554 /nfs/dbraw/zinc/33/65/54/1073336554.db2.gz RPMAMACQBJOAKH-OCABDXPQSA-N 1 2 388.472 -0.347 20 0 GBADLO CC(C)NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105285680 1073336423 /nfs/dbraw/zinc/33/64/23/1073336423.db2.gz UBKIOTJYBGLGOB-OCABDXPQSA-N 1 2 388.472 -0.301 20 0 GBADLO CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 ZINC001105285788 1073336245 /nfs/dbraw/zinc/33/62/45/1073336245.db2.gz VLBUILFLHMSGCY-YLQAJVPDSA-N 1 2 376.461 -0.298 20 0 GBADLO CCCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105285899 1073335446 /nfs/dbraw/zinc/33/54/46/1073335446.db2.gz YCIKEPLUAJTLAR-OCABDXPQSA-N 1 2 388.472 -0.299 20 0 GBADLO C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1)C(=O)N(C)C ZINC001105288855 1073337825 /nfs/dbraw/zinc/33/78/25/1073337825.db2.gz XGQZFSBXQMROHE-BJVWSHKESA-N 1 2 388.472 -0.349 20 0 GBADLO C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1)C(=O)N(C)C ZINC001105288856 1073337991 /nfs/dbraw/zinc/33/79/91/1073337991.db2.gz XGQZFSBXQMROHE-JZMHTTPVSA-N 1 2 388.472 -0.349 20 0 GBADLO CCCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 ZINC001105331487 1073351821 /nfs/dbraw/zinc/35/18/21/1073351821.db2.gz BUNMNOSSCFXPKR-OAGGEKHMSA-N 1 2 376.461 -0.155 20 0 GBADLO CC(C)NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 ZINC001105331660 1073350612 /nfs/dbraw/zinc/35/06/12/1073350612.db2.gz KTCPNPRODXSKGP-OAGGEKHMSA-N 1 2 376.461 -0.157 20 0 GBADLO C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1)C(=O)N(C)C ZINC001105331723 1073350733 /nfs/dbraw/zinc/35/07/33/1073350733.db2.gz NXHPFBWLCCRGTM-MPESAESLSA-N 1 2 376.461 -0.205 20 0 GBADLO C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1)C(=O)N(C)C ZINC001105331724 1073351103 /nfs/dbraw/zinc/35/11/03/1073351103.db2.gz NXHPFBWLCCRGTM-SRMUXQRQSA-N 1 2 376.461 -0.205 20 0 GBADLO CCN(C)C(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 ZINC001105331926 1073351951 /nfs/dbraw/zinc/35/19/51/1073351951.db2.gz SCGMAHVAKAJHDI-OAGGEKHMSA-N 1 2 376.461 -0.203 20 0 GBADLO COCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001111491192 1072445558 /nfs/dbraw/zinc/44/55/58/1072445558.db2.gz RZCBKDNZKVHWQP-KFWWJZLASA-N 1 2 382.461 -0.251 20 0 GBADLO COCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001111491192 1072445552 /nfs/dbraw/zinc/44/55/52/1072445552.db2.gz RZCBKDNZKVHWQP-KFWWJZLASA-N 1 2 382.461 -0.251 20 0 GBADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCCOC)C2 ZINC001111493206 1073248471 /nfs/dbraw/zinc/24/84/71/1073248471.db2.gz JYMDPRNBPIKSBM-KFWWJZLASA-N 1 2 377.507 -0.300 20 0 GBADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCCOC)C2 ZINC001111493206 1073248463 /nfs/dbraw/zinc/24/84/63/1073248463.db2.gz JYMDPRNBPIKSBM-KFWWJZLASA-N 1 2 377.507 -0.300 20 0 GBADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C2 ZINC001111513814 1072440571 /nfs/dbraw/zinc/44/05/71/1072440571.db2.gz FLACEZBPDDJFCE-GUIRCDHDSA-N 1 2 381.477 -0.286 20 0 GBADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C2 ZINC001111513814 1072440568 /nfs/dbraw/zinc/44/05/68/1072440568.db2.gz FLACEZBPDDJFCE-GUIRCDHDSA-N 1 2 381.477 -0.286 20 0 GBADLO CCn1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)NC(=O)NC)n1 ZINC001111514081 1072472317 /nfs/dbraw/zinc/47/23/17/1072472317.db2.gz PUHWUYNKSUONIH-LOWDOPEQSA-N 1 2 377.449 -0.214 20 0 GBADLO CCn1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)NC(=O)NC)n1 ZINC001111514081 1072472308 /nfs/dbraw/zinc/47/23/08/1072472308.db2.gz PUHWUYNKSUONIH-LOWDOPEQSA-N 1 2 377.449 -0.214 20 0 GBADLO CCn1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)NC(=O)NC)n1 ZINC001111514082 1072471976 /nfs/dbraw/zinc/47/19/76/1072471976.db2.gz PUHWUYNKSUONIH-LPWJVIDDSA-N 1 2 377.449 -0.214 20 0 GBADLO CCn1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)NC(=O)NC)n1 ZINC001111514082 1072471974 /nfs/dbraw/zinc/47/19/74/1072471974.db2.gz PUHWUYNKSUONIH-LPWJVIDDSA-N 1 2 377.449 -0.214 20 0 GBADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)C1CCC1)C2 ZINC001111514188 1072480591 /nfs/dbraw/zinc/48/05/91/1072480591.db2.gz VPGLSBNVWJYCKX-ASEORRQLSA-N 1 2 379.461 -0.532 20 0 GBADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)C1CCC1)C2 ZINC001111514188 1072480588 /nfs/dbraw/zinc/48/05/88/1072480588.db2.gz VPGLSBNVWJYCKX-ASEORRQLSA-N 1 2 379.461 -0.532 20 0 GBADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)C1CCC1)C2 ZINC001111514189 1072480560 /nfs/dbraw/zinc/48/05/60/1072480560.db2.gz VPGLSBNVWJYCKX-ZRJCITRHSA-N 1 2 379.461 -0.532 20 0 GBADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)C1CCC1)C2 ZINC001111514189 1072480556 /nfs/dbraw/zinc/48/05/56/1072480556.db2.gz VPGLSBNVWJYCKX-ZRJCITRHSA-N 1 2 379.461 -0.532 20 0 GBADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H]1CCCO1)C2 ZINC001111514238 1072491804 /nfs/dbraw/zinc/49/18/04/1072491804.db2.gz XKWPBZYQKCKBNM-BARDWOONSA-N 1 2 382.461 -0.251 20 0 GBADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H]1CCCO1)C2 ZINC001111514238 1072491799 /nfs/dbraw/zinc/49/17/99/1072491799.db2.gz XKWPBZYQKCKBNM-BARDWOONSA-N 1 2 382.461 -0.251 20 0 GBADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H]1CCCO1)C2 ZINC001111514239 1072492130 /nfs/dbraw/zinc/49/21/30/1072492130.db2.gz XKWPBZYQKCKBNM-TUVASFSCSA-N 1 2 382.461 -0.251 20 0 GBADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H]1CCCO1)C2 ZINC001111514239 1072492126 /nfs/dbraw/zinc/49/21/26/1072492126.db2.gz XKWPBZYQKCKBNM-TUVASFSCSA-N 1 2 382.461 -0.251 20 0 GBADLO O=C(COC[C@@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001111514290 1072494381 /nfs/dbraw/zinc/49/43/81/1072494381.db2.gz ZMSMEIUZVUZXPH-TWMKSMIVSA-N 1 2 381.473 -0.238 20 0 GBADLO O=C(COC[C@@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001111514290 1072494379 /nfs/dbraw/zinc/49/43/79/1072494379.db2.gz ZMSMEIUZVUZXPH-TWMKSMIVSA-N 1 2 381.473 -0.238 20 0 GBADLO O=C(COC[C@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001111514291 1072493887 /nfs/dbraw/zinc/49/38/87/1072493887.db2.gz ZMSMEIUZVUZXPH-VQHPVUNQSA-N 1 2 381.473 -0.238 20 0 GBADLO O=C(COC[C@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001111514291 1072493884 /nfs/dbraw/zinc/49/38/84/1072493884.db2.gz ZMSMEIUZVUZXPH-VQHPVUNQSA-N 1 2 381.473 -0.238 20 0 GBADLO CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H]1CCCO1)C2 ZINC001111515305 1072251671 /nfs/dbraw/zinc/25/16/71/1072251671.db2.gz SWTPMVITGGRJGZ-BARDWOONSA-N 1 2 375.491 -0.547 20 0 GBADLO CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H]1CCCO1)C2 ZINC001111515305 1072251666 /nfs/dbraw/zinc/25/16/66/1072251666.db2.gz SWTPMVITGGRJGZ-BARDWOONSA-N 1 2 375.491 -0.547 20 0 GBADLO CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H]1CCCO1)C2 ZINC001111515306 1072251581 /nfs/dbraw/zinc/25/15/81/1072251581.db2.gz SWTPMVITGGRJGZ-TUVASFSCSA-N 1 2 375.491 -0.547 20 0 GBADLO CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H]1CCCO1)C2 ZINC001111515306 1072251577 /nfs/dbraw/zinc/25/15/77/1072251577.db2.gz SWTPMVITGGRJGZ-TUVASFSCSA-N 1 2 375.491 -0.547 20 0 GBADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn(C)nn1)C2 ZINC001111518893 1072717591 /nfs/dbraw/zinc/71/75/91/1072717591.db2.gz FZELXJNDILJONI-MCIONIFRSA-N 1 2 377.449 -0.685 20 0 GBADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn(C)nn1)C2 ZINC001111518893 1072717586 /nfs/dbraw/zinc/71/75/86/1072717586.db2.gz FZELXJNDILJONI-MCIONIFRSA-N 1 2 377.449 -0.685 20 0 GBADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn(C)nn1)C2 ZINC001111518911 1072751071 /nfs/dbraw/zinc/75/10/71/1072751071.db2.gz GRFHDRJOLGPJIE-OAGGEKHMSA-N 1 2 378.477 -0.378 20 0 GBADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn(C)nn1)C2 ZINC001111518911 1072751060 /nfs/dbraw/zinc/75/10/60/1072751060.db2.gz GRFHDRJOLGPJIE-OAGGEKHMSA-N 1 2 378.477 -0.378 20 0 GBADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCOCC1)C2 ZINC001111518982 1072761264 /nfs/dbraw/zinc/76/12/64/1072761264.db2.gz KVWAIHYANGMRHM-HZMVEIRTSA-N 1 2 382.505 -0.419 20 0 GBADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCOCC1)C2 ZINC001111518982 1072761251 /nfs/dbraw/zinc/76/12/51/1072761251.db2.gz KVWAIHYANGMRHM-HZMVEIRTSA-N 1 2 382.505 -0.419 20 0 GBADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn(C)nn1)C2 ZINC001111519053 1072781278 /nfs/dbraw/zinc/78/12/78/1072781278.db2.gz NXYDSJUCQMXHDI-OAGGEKHMSA-N 1 2 378.477 -0.378 20 0 GBADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn(C)nn1)C2 ZINC001111519053 1072781270 /nfs/dbraw/zinc/78/12/70/1072781270.db2.gz NXYDSJUCQMXHDI-OAGGEKHMSA-N 1 2 378.477 -0.378 20 0 GBADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)C(N)=O)C2 ZINC001111520858 1073316761 /nfs/dbraw/zinc/31/67/61/1073316761.db2.gz CPMDWVJMPGPULW-RQJABVFESA-N 1 2 381.477 -0.299 20 0 GBADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)C(N)=O)C2 ZINC001111520858 1073316757 /nfs/dbraw/zinc/31/67/57/1073316757.db2.gz CPMDWVJMPGPULW-RQJABVFESA-N 1 2 381.477 -0.299 20 0 GBADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)C(N)=O)C2 ZINC001111520859 1073316651 /nfs/dbraw/zinc/31/66/51/1073316651.db2.gz CPMDWVJMPGPULW-SYQHCUMBSA-N 1 2 381.477 -0.299 20 0 GBADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)C(N)=O)C2 ZINC001111520859 1073316645 /nfs/dbraw/zinc/31/66/45/1073316645.db2.gz CPMDWVJMPGPULW-SYQHCUMBSA-N 1 2 381.477 -0.299 20 0 GBADLO CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(N)=O)ccn1)C2 ZINC001111523623 1073780060 /nfs/dbraw/zinc/78/00/60/1073780060.db2.gz COFDSPGPVFZGTN-BZPMIXESSA-N 1 2 381.458 -0.935 20 0 GBADLO CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(N)=O)ccn1)C2 ZINC001111523623 1073780053 /nfs/dbraw/zinc/78/00/53/1073780053.db2.gz COFDSPGPVFZGTN-BZPMIXESSA-N 1 2 381.458 -0.935 20 0 GBADLO CC(C)(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001111524078 1073871744 /nfs/dbraw/zinc/87/17/44/1073871744.db2.gz YXQPSHABNLXUPM-DGAVXFQQSA-N 1 2 378.473 -0.077 20 0 GBADLO CC(C)(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001111524078 1073871731 /nfs/dbraw/zinc/87/17/31/1073871731.db2.gz YXQPSHABNLXUPM-DGAVXFQQSA-N 1 2 378.473 -0.077 20 0 GBADLO CC(C)(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001111524079 1073871593 /nfs/dbraw/zinc/87/15/93/1073871593.db2.gz YXQPSHABNLXUPM-SYQHCUMBSA-N 1 2 378.473 -0.077 20 0 GBADLO CC(C)(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001111524079 1073871584 /nfs/dbraw/zinc/87/15/84/1073871584.db2.gz YXQPSHABNLXUPM-SYQHCUMBSA-N 1 2 378.473 -0.077 20 0 GBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CCn1cccn1)CC2 ZINC001141823525 1073323694 /nfs/dbraw/zinc/32/36/94/1073323694.db2.gz HNSMPOGQOVLVEK-UHFFFAOYSA-N 1 2 385.472 -0.021 20 0 GBADLO Cn1cc(CCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001141895735 1073342303 /nfs/dbraw/zinc/34/23/03/1073342303.db2.gz MXIBHMGSLOUTGX-GJZGRUSLSA-N 1 2 387.444 -0.720 20 0 GBADLO Cn1cc(CCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001141895735 1073342296 /nfs/dbraw/zinc/34/22/96/1073342296.db2.gz MXIBHMGSLOUTGX-GJZGRUSLSA-N 1 2 387.444 -0.720 20 0 GBADLO O=C([C@@H]1CCCS1(=O)=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001143471567 1072981587 /nfs/dbraw/zinc/98/15/87/1072981587.db2.gz SYQMWRMGTPSOHL-AWEZNQCLSA-N 1 2 391.453 -0.202 20 0 GBADLO O=C([C@H]1CCCS1(=O)=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001143471571 1072982095 /nfs/dbraw/zinc/98/20/95/1072982095.db2.gz SYQMWRMGTPSOHL-CQSZACIVSA-N 1 2 391.453 -0.202 20 0 GBADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3S(N)(=O)=O)CC2)C1=O ZINC001164632792 719269622 /nfs/dbraw/zinc/26/96/22/719269622.db2.gz CNVMVMJBYARKAK-UHFFFAOYSA-N 1 2 397.501 -0.512 20 0 GBADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3S(N)(=O)=O)CC2)C1=O ZINC001164632792 719269619 /nfs/dbraw/zinc/26/96/19/719269619.db2.gz CNVMVMJBYARKAK-UHFFFAOYSA-N 1 2 397.501 -0.512 20 0 GBADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(S(N)(=O)=O)cn3)CC2)C1=O ZINC001164633813 719272258 /nfs/dbraw/zinc/27/22/58/719272258.db2.gz IBVWHPCOLSVNJY-UHFFFAOYSA-N 1 2 397.501 -0.512 20 0 GBADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(S(N)(=O)=O)cn3)CC2)C1=O ZINC001164633813 719272253 /nfs/dbraw/zinc/27/22/53/719272253.db2.gz IBVWHPCOLSVNJY-UHFFFAOYSA-N 1 2 397.501 -0.512 20 0 GBADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cnc3C(N)=O)CC2)C1=O ZINC001164633818 719272628 /nfs/dbraw/zinc/27/26/28/719272628.db2.gz IDSRANVWMHWISC-UHFFFAOYSA-N 1 2 396.879 -0.012 20 0 GBADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cnc3C(N)=O)CC2)C1=O ZINC001164633818 719272626 /nfs/dbraw/zinc/27/26/26/719272626.db2.gz IDSRANVWMHWISC-UHFFFAOYSA-N 1 2 396.879 -0.012 20 0 GBADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc(C(N)=O)n3)CC2)C1=O ZINC001164636902 719272636 /nfs/dbraw/zinc/27/26/36/719272636.db2.gz YRIRVYLFDHNTRW-UHFFFAOYSA-N 1 2 396.879 -0.012 20 0 GBADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc(C(N)=O)n3)CC2)C1=O ZINC001164636902 719272633 /nfs/dbraw/zinc/27/26/33/719272633.db2.gz YRIRVYLFDHNTRW-UHFFFAOYSA-N 1 2 396.879 -0.012 20 0 GBADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(Cl)nc3C(N)=O)CC2)C1=O ZINC001164642057 719276870 /nfs/dbraw/zinc/27/68/70/719276870.db2.gz WIXMKLFLEDTXKY-UHFFFAOYSA-N 1 2 396.879 -0.012 20 0 GBADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(Cl)nc3C(N)=O)CC2)C1=O ZINC001164642057 719276865 /nfs/dbraw/zinc/27/68/65/719276865.db2.gz WIXMKLFLEDTXKY-UHFFFAOYSA-N 1 2 396.879 -0.012 20 0 GBADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc(Cl)c3C(N)=O)CC2)C1=O ZINC001164642137 719276658 /nfs/dbraw/zinc/27/66/58/719276658.db2.gz XBQJFCKXROLIGS-UHFFFAOYSA-N 1 2 396.879 -0.012 20 0 GBADLO COCCN1CC[N@H+](C)C2(CCN(c3ncnc(Cl)c3C(N)=O)CC2)C1=O ZINC001164642137 719276656 /nfs/dbraw/zinc/27/66/56/719276656.db2.gz XBQJFCKXROLIGS-UHFFFAOYSA-N 1 2 396.879 -0.012 20 0 GBADLO CCNC(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nn1 ZINC001164644069 719282309 /nfs/dbraw/zinc/28/23/09/719282309.db2.gz BBEUXRITRVSKTO-UHFFFAOYSA-N 1 2 390.488 -0.014 20 0 GBADLO CCNC(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nn1 ZINC001164644069 719282307 /nfs/dbraw/zinc/28/23/07/719282307.db2.gz BBEUXRITRVSKTO-UHFFFAOYSA-N 1 2 390.488 -0.014 20 0 GBADLO COCCN1CC[N@@H+](C)C2(CCN(c3cccc(S(N)(=O)=O)n3)CC2)C1=O ZINC001164644331 719284989 /nfs/dbraw/zinc/28/49/89/719284989.db2.gz IWVDLLJITUNEKJ-UHFFFAOYSA-N 1 2 397.501 -0.512 20 0 GBADLO COCCN1CC[N@H+](C)C2(CCN(c3cccc(S(N)(=O)=O)n3)CC2)C1=O ZINC001164644331 719284987 /nfs/dbraw/zinc/28/49/87/719284987.db2.gz IWVDLLJITUNEKJ-UHFFFAOYSA-N 1 2 397.501 -0.512 20 0 GBADLO COCCN1CC[N@@H+](C)C2(CCN(c3cncc(C(=O)N(C)C)n3)CC2)C1=O ZINC001164644658 719281094 /nfs/dbraw/zinc/28/10/94/719281094.db2.gz OSDJJMWBOOPUBF-UHFFFAOYSA-N 1 2 390.488 -0.062 20 0 GBADLO COCCN1CC[N@H+](C)C2(CCN(c3cncc(C(=O)N(C)C)n3)CC2)C1=O ZINC001164644658 719281086 /nfs/dbraw/zinc/28/10/86/719281086.db2.gz OSDJJMWBOOPUBF-UHFFFAOYSA-N 1 2 390.488 -0.062 20 0 GBADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(S(N)(=O)=O)ccn3)CC2)C1=O ZINC001164644721 719282004 /nfs/dbraw/zinc/28/20/04/719282004.db2.gz RZKCSEYXMIFCPH-UHFFFAOYSA-N 1 2 397.501 -0.512 20 0 GBADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(S(N)(=O)=O)ccn3)CC2)C1=O ZINC001164644721 719282003 /nfs/dbraw/zinc/28/20/03/719282003.db2.gz RZKCSEYXMIFCPH-UHFFFAOYSA-N 1 2 397.501 -0.512 20 0 GBADLO c1nc(N2CCOCC2)cc(N2CCn3c(CN4CCOCC4)nnc3C2)[nH+]1 ZINC001164676944 719571251 /nfs/dbraw/zinc/57/12/51/719571251.db2.gz RMMSNKDKTMUTNX-UHFFFAOYSA-N 1 2 386.460 -0.243 20 0 GBADLO c1nc(N2CCn3c(CN4CCOCC4)nnc3C2)cc(N2CCOCC2)[nH+]1 ZINC001164676944 719571250 /nfs/dbraw/zinc/57/12/50/719571250.db2.gz RMMSNKDKTMUTNX-UHFFFAOYSA-N 1 2 386.460 -0.243 20 0 GBADLO c1cc(N2CCn3c(CN4CCOCC4)nnc3C2)nc(N2CCOCC2)[nH+]1 ZINC001164678827 719581863 /nfs/dbraw/zinc/58/18/63/719581863.db2.gz VGTXQHQXUIUULU-UHFFFAOYSA-N 1 2 386.460 -0.243 20 0 GBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1nnn2C ZINC001164699827 719869450 /nfs/dbraw/zinc/86/94/50/719869450.db2.gz BQAXCHZMEFAMJC-PXAZEXFGSA-N 1 2 375.433 -0.009 20 0 GBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1nnn2C ZINC001164699828 719869160 /nfs/dbraw/zinc/86/91/60/719869160.db2.gz BQAXCHZMEFAMJC-SJCJKPOMSA-N 1 2 375.433 -0.009 20 0 GBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1nnn2C ZINC001164699829 719869436 /nfs/dbraw/zinc/86/94/36/719869436.db2.gz BQAXCHZMEFAMJC-SJKOYZFVSA-N 1 2 375.433 -0.009 20 0 GBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1nnn2C ZINC001164699830 719869415 /nfs/dbraw/zinc/86/94/15/719869415.db2.gz BQAXCHZMEFAMJC-YVEFUNNKSA-N 1 2 375.433 -0.009 20 0 GBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1S(N)(=O)=O ZINC001164699920 719843009 /nfs/dbraw/zinc/84/30/09/719843009.db2.gz IYUICBSDNSCSDS-CXAGYDPISA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1S(N)(=O)=O ZINC001164699922 719842620 /nfs/dbraw/zinc/84/26/20/719842620.db2.gz IYUICBSDNSCSDS-DYVFJYSZSA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1S(N)(=O)=O ZINC001164699924 719842851 /nfs/dbraw/zinc/84/28/51/719842851.db2.gz IYUICBSDNSCSDS-GUYCJALGSA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1S(N)(=O)=O ZINC001164699926 719842835 /nfs/dbraw/zinc/84/28/35/719842835.db2.gz IYUICBSDNSCSDS-SUMWQHHRSA-N 1 2 398.485 -0.038 20 0 GBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(C(N)=O)cn1)CC2 ZINC001164701715 720047681 /nfs/dbraw/zinc/04/76/81/720047681.db2.gz AVEXONZENMODKA-UHFFFAOYSA-N 1 2 383.456 -0.136 20 0 GBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(N)(=O)=O)nn1 ZINC001164701726 719874977 /nfs/dbraw/zinc/87/49/77/719874977.db2.gz HAKPFGHASAHCKG-BLLLJJGKSA-N 1 2 399.473 -0.643 20 0 GBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(N)(=O)=O)nn1 ZINC001164701729 719875260 /nfs/dbraw/zinc/87/52/60/719875260.db2.gz HAKPFGHASAHCKG-LRDDRELGSA-N 1 2 399.473 -0.643 20 0 GBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(N)(=O)=O)nn1 ZINC001164701731 719875011 /nfs/dbraw/zinc/87/50/11/719875011.db2.gz HAKPFGHASAHCKG-MLGOLLRUSA-N 1 2 399.473 -0.643 20 0 GBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(N)(=O)=O)nn1 ZINC001164701733 719875112 /nfs/dbraw/zinc/87/51/12/719875112.db2.gz HAKPFGHASAHCKG-WBMJQRKESA-N 1 2 399.473 -0.643 20 0 GBADLO COC(=O)c1nccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164701790 719938550 /nfs/dbraw/zinc/93/85/50/719938550.db2.gz BUTMCYLRWGGDRW-UHFFFAOYSA-N 1 2 399.455 -0.053 20 0 GBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(C(N)=O)n1)CC2 ZINC001164701835 719935149 /nfs/dbraw/zinc/93/51/49/719935149.db2.gz CWGZEPGSQHTNID-UHFFFAOYSA-N 1 2 384.444 -0.741 20 0 GBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(S(N)(=O)=O)n1 ZINC001164702166 719879239 /nfs/dbraw/zinc/87/92/39/719879239.db2.gz ORPJWTQUKPXVLN-CXAGYDPISA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(S(N)(=O)=O)n1 ZINC001164702168 719879302 /nfs/dbraw/zinc/87/93/02/719879302.db2.gz ORPJWTQUKPXVLN-DYVFJYSZSA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(S(N)(=O)=O)n1 ZINC001164702170 719879152 /nfs/dbraw/zinc/87/91/52/719879152.db2.gz ORPJWTQUKPXVLN-GUYCJALGSA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(S(N)(=O)=O)n1 ZINC001164702172 719879169 /nfs/dbraw/zinc/87/91/69/719879169.db2.gz ORPJWTQUKPXVLN-SUMWQHHRSA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164702897 719939047 /nfs/dbraw/zinc/93/90/47/719939047.db2.gz HNICOXWJNULLFY-UHFFFAOYSA-N 1 2 399.455 -0.053 20 0 GBADLO COC(=O)c1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cn1 ZINC001164702914 719931336 /nfs/dbraw/zinc/93/13/36/719931336.db2.gz HRIAKHBASJRNRY-UHFFFAOYSA-N 1 2 399.455 -0.053 20 0 GBADLO COC(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nn1 ZINC001164702919 719935840 /nfs/dbraw/zinc/93/58/40/719935840.db2.gz HRTUEKUCYYLRIR-UHFFFAOYSA-N 1 2 399.455 -0.053 20 0 GBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncccc1C(N)=O)CC2 ZINC001164703137 719934032 /nfs/dbraw/zinc/93/40/32/719934032.db2.gz IUVTYKOAEFCXAJ-UHFFFAOYSA-N 1 2 383.456 -0.136 20 0 GBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(N)(=O)=O)cn1 ZINC001164703378 719850806 /nfs/dbraw/zinc/85/08/06/719850806.db2.gz PQLCMDMTQSAFNQ-CXAGYDPISA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(N)(=O)=O)cn1 ZINC001164703380 719850966 /nfs/dbraw/zinc/85/09/66/719850966.db2.gz PQLCMDMTQSAFNQ-DYVFJYSZSA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(N)(=O)=O)cn1 ZINC001164703382 719850779 /nfs/dbraw/zinc/85/07/79/719850779.db2.gz PQLCMDMTQSAFNQ-GUYCJALGSA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(S(N)(=O)=O)cn1 ZINC001164703384 719850975 /nfs/dbraw/zinc/85/09/75/719850975.db2.gz PQLCMDMTQSAFNQ-SUMWQHHRSA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)c1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164704179 720047669 /nfs/dbraw/zinc/04/76/69/720047669.db2.gz OKKSWOSATKNXOQ-UHFFFAOYSA-N 1 2 399.455 -0.053 20 0 GBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C(N)=O)ccn1)CC2 ZINC001164704804 719933316 /nfs/dbraw/zinc/93/33/16/719933316.db2.gz SJJZRGXJJAIGEB-UHFFFAOYSA-N 1 2 383.456 -0.136 20 0 GBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(S(N)(=O)=O)ccn1 ZINC001164706556 719873300 /nfs/dbraw/zinc/87/33/00/719873300.db2.gz PVLBDYMRZRRTDD-CXAGYDPISA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(S(N)(=O)=O)ccn1 ZINC001164706559 719873451 /nfs/dbraw/zinc/87/34/51/719873451.db2.gz PVLBDYMRZRRTDD-DYVFJYSZSA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(S(N)(=O)=O)ccn1 ZINC001164706561 719873444 /nfs/dbraw/zinc/87/34/44/719873444.db2.gz PVLBDYMRZRRTDD-GUYCJALGSA-N 1 2 398.485 -0.038 20 0 GBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(S(N)(=O)=O)ccn1 ZINC001164706563 719873333 /nfs/dbraw/zinc/87/33/33/719873333.db2.gz PVLBDYMRZRRTDD-SUMWQHHRSA-N 1 2 398.485 -0.038 20 0 GBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3c1nnn3C)CC2 ZINC001164708035 719923903 /nfs/dbraw/zinc/92/39/03/719923903.db2.gz ARYPYOILEYNCJY-UHFFFAOYSA-N 1 2 396.459 -0.558 20 0 GBADLO Cc1nc(N(C)C)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708482 719912737 /nfs/dbraw/zinc/91/27/37/719912737.db2.gz FANMVFQIKIPXFC-UHFFFAOYSA-N 1 2 399.503 -0.070 20 0 GBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(C(N)=O)n1)CC2 ZINC001164708685 719902429 /nfs/dbraw/zinc/90/24/29/719902429.db2.gz GZLUNQKRHFKBDR-UHFFFAOYSA-N 1 2 384.444 -0.741 20 0 GBADLO CNC(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nn1 ZINC001164708841 719931566 /nfs/dbraw/zinc/93/15/66/719931566.db2.gz ULLMVAXPRCMNHM-UHFFFAOYSA-N 1 2 398.471 -0.480 20 0 GBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cccc(C(N)=O)n1)CC2 ZINC001164708993 719914349 /nfs/dbraw/zinc/91/43/49/719914349.db2.gz OTKKJOJXHIPTCJ-UHFFFAOYSA-N 1 2 383.456 -0.136 20 0 GBADLO COC(=O)c1cncnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709491 719908813 /nfs/dbraw/zinc/90/88/13/719908813.db2.gz WHYSXKBNHBLJJS-UHFFFAOYSA-N 1 2 399.455 -0.053 20 0 GBADLO COC(=O)c1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncn1 ZINC001164709513 719905714 /nfs/dbraw/zinc/90/57/14/719905714.db2.gz XNWLVDFNRUFRJP-UHFFFAOYSA-N 1 2 399.455 -0.053 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OC)nn3)C2)C1 ZINC001164716695 720221000 /nfs/dbraw/zinc/22/10/00/720221000.db2.gz CYWVHOPYHYZUGT-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OC)nn3)C2)C1 ZINC001164716695 720220995 /nfs/dbraw/zinc/22/09/95/720220995.db2.gz CYWVHOPYHYZUGT-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)OC)nn3)C2)C1 ZINC001164716696 720221441 /nfs/dbraw/zinc/22/14/41/720221441.db2.gz CYWVHOPYHYZUGT-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)OC)nn3)C2)C1 ZINC001164716696 720221435 /nfs/dbraw/zinc/22/14/35/720221435.db2.gz CYWVHOPYHYZUGT-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(C(=O)OC)cn3)C2)C1 ZINC001164716854 720212968 /nfs/dbraw/zinc/21/29/68/720212968.db2.gz GCJLXGKGZCZZOU-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(C(=O)OC)cn3)C2)C1 ZINC001164716854 720212949 /nfs/dbraw/zinc/21/29/49/720212949.db2.gz GCJLXGKGZCZZOU-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(C(=O)OC)cn3)C2)C1 ZINC001164716855 720213904 /nfs/dbraw/zinc/21/39/04/720213904.db2.gz GCJLXGKGZCZZOU-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(C(=O)OC)cn3)C2)C1 ZINC001164716855 720213897 /nfs/dbraw/zinc/21/38/97/720213897.db2.gz GCJLXGKGZCZZOU-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)OC)ncn3)C2)C1 ZINC001164717587 720242936 /nfs/dbraw/zinc/24/29/36/720242936.db2.gz BPWWWXOEEPMJRQ-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)OC)ncn3)C2)C1 ZINC001164717587 720242923 /nfs/dbraw/zinc/24/29/23/720242923.db2.gz BPWWWXOEEPMJRQ-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)OC)ncn3)C2)C1 ZINC001164717589 720243778 /nfs/dbraw/zinc/24/37/78/720243778.db2.gz BPWWWXOEEPMJRQ-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)OC)ncn3)C2)C1 ZINC001164717589 720243768 /nfs/dbraw/zinc/24/37/68/720243768.db2.gz BPWWWXOEEPMJRQ-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3S(N)(=O)=O)C2)C1 ZINC001164717794 720220221 /nfs/dbraw/zinc/22/02/21/720220221.db2.gz IKMMZKLMDVBPKX-KRWDZBQOSA-N 1 2 397.501 -0.606 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3S(N)(=O)=O)C2)C1 ZINC001164717794 720220214 /nfs/dbraw/zinc/22/02/14/720220214.db2.gz IKMMZKLMDVBPKX-KRWDZBQOSA-N 1 2 397.501 -0.606 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3S(N)(=O)=O)C2)C1 ZINC001164717796 720221161 /nfs/dbraw/zinc/22/11/61/720221161.db2.gz IKMMZKLMDVBPKX-QGZVFWFLSA-N 1 2 397.501 -0.606 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3S(N)(=O)=O)C2)C1 ZINC001164717796 720221149 /nfs/dbraw/zinc/22/11/49/720221149.db2.gz IKMMZKLMDVBPKX-QGZVFWFLSA-N 1 2 397.501 -0.606 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3C(N)=O)C2)C1 ZINC001164717836 720226201 /nfs/dbraw/zinc/22/62/01/720226201.db2.gz JEINMKIGJDWGOG-KRWDZBQOSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3C(N)=O)C2)C1 ZINC001164717836 720226195 /nfs/dbraw/zinc/22/61/95/720226195.db2.gz JEINMKIGJDWGOG-KRWDZBQOSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3C(N)=O)C2)C1 ZINC001164717837 720227652 /nfs/dbraw/zinc/22/76/52/720227652.db2.gz JEINMKIGJDWGOG-QGZVFWFLSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3C(N)=O)C2)C1 ZINC001164717837 720227643 /nfs/dbraw/zinc/22/76/43/720227643.db2.gz JEINMKIGJDWGOG-QGZVFWFLSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(C(=O)OC)n3)C2)C1 ZINC001164717872 720227907 /nfs/dbraw/zinc/22/79/07/720227907.db2.gz KDTKIMITAAMMMC-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(C(=O)OC)n3)C2)C1 ZINC001164717872 720227894 /nfs/dbraw/zinc/22/78/94/720227894.db2.gz KDTKIMITAAMMMC-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C(=O)OC)n3)C2)C1 ZINC001164717873 720226448 /nfs/dbraw/zinc/22/64/48/720226448.db2.gz KDTKIMITAAMMMC-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C(=O)OC)n3)C2)C1 ZINC001164717873 720226438 /nfs/dbraw/zinc/22/64/38/720226438.db2.gz KDTKIMITAAMMMC-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3C(N)=O)C2)C1 ZINC001164718075 720263144 /nfs/dbraw/zinc/26/31/44/720263144.db2.gz CCELFTFPQFPHJU-KRWDZBQOSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3C(N)=O)C2)C1 ZINC001164718075 720263127 /nfs/dbraw/zinc/26/31/27/720263127.db2.gz CCELFTFPQFPHJU-KRWDZBQOSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3C(N)=O)C2)C1 ZINC001164718077 720261761 /nfs/dbraw/zinc/26/17/61/720261761.db2.gz CCELFTFPQFPHJU-QGZVFWFLSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3C(N)=O)C2)C1 ZINC001164718077 720261750 /nfs/dbraw/zinc/26/17/50/720261750.db2.gz CCELFTFPQFPHJU-QGZVFWFLSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncncc3C(=O)OC)C2)C1 ZINC001164718956 720254021 /nfs/dbraw/zinc/25/40/21/720254021.db2.gz IYJBMAGANHUBNA-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncncc3C(=O)OC)C2)C1 ZINC001164718956 720254007 /nfs/dbraw/zinc/25/40/07/720254007.db2.gz IYJBMAGANHUBNA-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncncc3C(=O)OC)C2)C1 ZINC001164718957 720252811 /nfs/dbraw/zinc/25/28/11/720252811.db2.gz IYJBMAGANHUBNA-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncncc3C(=O)OC)C2)C1 ZINC001164718957 720252800 /nfs/dbraw/zinc/25/28/00/720252800.db2.gz IYJBMAGANHUBNA-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cnc3C(N)=O)C2)C1 ZINC001164719384 720238392 /nfs/dbraw/zinc/23/83/92/720238392.db2.gz LULKDKCBJDFGQG-KRWDZBQOSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cnc3C(N)=O)C2)C1 ZINC001164719384 720238386 /nfs/dbraw/zinc/23/83/86/720238386.db2.gz LULKDKCBJDFGQG-KRWDZBQOSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cnc3C(N)=O)C2)C1 ZINC001164719385 720236984 /nfs/dbraw/zinc/23/69/84/720236984.db2.gz LULKDKCBJDFGQG-QGZVFWFLSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cnc3C(N)=O)C2)C1 ZINC001164719385 720236975 /nfs/dbraw/zinc/23/69/75/720236975.db2.gz LULKDKCBJDFGQG-QGZVFWFLSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)nc3C(N)=O)C2)C1 ZINC001164719394 720260824 /nfs/dbraw/zinc/26/08/24/720260824.db2.gz LYHVVUYHIPXUDS-KRWDZBQOSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)nc3C(N)=O)C2)C1 ZINC001164719394 720260817 /nfs/dbraw/zinc/26/08/17/720260817.db2.gz LYHVVUYHIPXUDS-KRWDZBQOSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)nc3C(N)=O)C2)C1 ZINC001164719395 720259917 /nfs/dbraw/zinc/25/99/17/720259917.db2.gz LYHVVUYHIPXUDS-QGZVFWFLSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)nc3C(N)=O)C2)C1 ZINC001164719395 720259911 /nfs/dbraw/zinc/25/99/11/720259911.db2.gz LYHVVUYHIPXUDS-QGZVFWFLSA-N 1 2 396.879 -0.106 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)OC)cn3)C2)C1 ZINC001164719779 720223212 /nfs/dbraw/zinc/22/32/12/720223212.db2.gz UDKLTDHBWDDJFX-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)OC)cn3)C2)C1 ZINC001164719779 720223206 /nfs/dbraw/zinc/22/32/06/720223206.db2.gz UDKLTDHBWDDJFX-GOSISDBHSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)OC)cn3)C2)C1 ZINC001164719781 720222605 /nfs/dbraw/zinc/22/26/05/720222605.db2.gz UDKLTDHBWDDJFX-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)OC)cn3)C2)C1 ZINC001164719781 720222597 /nfs/dbraw/zinc/22/25/97/720222597.db2.gz UDKLTDHBWDDJFX-SFHVURJKSA-N 1 2 377.445 -0.072 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc(N(C)C)n3)C2)C1 ZINC001164720266 720262648 /nfs/dbraw/zinc/26/26/48/720262648.db2.gz TVVZZDZEJPRPBX-GOSISDBHSA-N 1 2 377.493 -0.089 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc(N(C)C)n3)C2)C1 ZINC001164720266 720262639 /nfs/dbraw/zinc/26/26/39/720262639.db2.gz TVVZZDZEJPRPBX-GOSISDBHSA-N 1 2 377.493 -0.089 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc(N(C)C)n3)C2)C1 ZINC001164720270 720262107 /nfs/dbraw/zinc/26/21/07/720262107.db2.gz TVVZZDZEJPRPBX-SFHVURJKSA-N 1 2 377.493 -0.089 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc(N(C)C)n3)C2)C1 ZINC001164720270 720262101 /nfs/dbraw/zinc/26/21/01/720262101.db2.gz TVVZZDZEJPRPBX-SFHVURJKSA-N 1 2 377.493 -0.089 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC)nn3)C2)C1 ZINC001164720990 720296340 /nfs/dbraw/zinc/29/63/40/720296340.db2.gz GUKXQCMPGNREAG-GOSISDBHSA-N 1 2 376.461 -0.499 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC)nn3)C2)C1 ZINC001164720990 720296328 /nfs/dbraw/zinc/29/63/28/720296328.db2.gz GUKXQCMPGNREAG-GOSISDBHSA-N 1 2 376.461 -0.499 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC)nn3)C2)C1 ZINC001164720991 720296808 /nfs/dbraw/zinc/29/68/08/720296808.db2.gz GUKXQCMPGNREAG-SFHVURJKSA-N 1 2 376.461 -0.499 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC)nn3)C2)C1 ZINC001164720991 720296794 /nfs/dbraw/zinc/29/67/94/720296794.db2.gz GUKXQCMPGNREAG-SFHVURJKSA-N 1 2 376.461 -0.499 20 0 GBADLO CCNC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nn1 ZINC001164721880 720296424 /nfs/dbraw/zinc/29/64/24/720296424.db2.gz MMFPAOSAUOXIKF-IBGZPJMESA-N 1 2 390.488 -0.109 20 0 GBADLO CCNC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)nn1 ZINC001164721880 720296416 /nfs/dbraw/zinc/29/64/16/720296416.db2.gz MMFPAOSAUOXIKF-IBGZPJMESA-N 1 2 390.488 -0.109 20 0 GBADLO CCNC(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nn1 ZINC001164721883 720295832 /nfs/dbraw/zinc/29/58/32/720295832.db2.gz MMFPAOSAUOXIKF-LJQANCHMSA-N 1 2 390.488 -0.109 20 0 GBADLO CCNC(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)nn1 ZINC001164721883 720295826 /nfs/dbraw/zinc/29/58/26/720295826.db2.gz MMFPAOSAUOXIKF-LJQANCHMSA-N 1 2 390.488 -0.109 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(C(=O)N(C)C)n3)C2)C1 ZINC001164721998 720292387 /nfs/dbraw/zinc/29/23/87/720292387.db2.gz OEOOZUZNRMWCTF-IBGZPJMESA-N 1 2 390.488 -0.157 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(C(=O)N(C)C)n3)C2)C1 ZINC001164721998 720292376 /nfs/dbraw/zinc/29/23/76/720292376.db2.gz OEOOZUZNRMWCTF-IBGZPJMESA-N 1 2 390.488 -0.157 20 0 GBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(C(=O)N(C)C)n3)C2)C1 ZINC001164721999 720290869 /nfs/dbraw/zinc/29/08/69/720290869.db2.gz OEOOZUZNRMWCTF-LJQANCHMSA-N 1 2 390.488 -0.157 20 0 GBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(C(=O)N(C)C)n3)C2)C1 ZINC001164721999 720290855 /nfs/dbraw/zinc/29/08/55/720290855.db2.gz OEOOZUZNRMWCTF-LJQANCHMSA-N 1 2 390.488 -0.157 20 0 GBADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(S(N)(=O)=O)nn1)C2 ZINC001165011034 721717566 /nfs/dbraw/zinc/71/75/66/721717566.db2.gz MNDIEHHNNGFKFM-UHFFFAOYSA-N 1 2 380.478 -0.034 20 0 GBADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(S(N)(=O)=O)nn1)C2 ZINC001165011034 721717559 /nfs/dbraw/zinc/71/75/59/721717559.db2.gz MNDIEHHNNGFKFM-UHFFFAOYSA-N 1 2 380.478 -0.034 20 0 GBADLO COC(=O)[C@H]1COCCC12CN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)C2 ZINC001167167746 1072269730 /nfs/dbraw/zinc/26/97/30/1072269730.db2.gz MYFGRRQKIAMWQI-CHWSQXEVSA-N 1 2 375.429 -0.053 20 0 GBADLO COC(=O)[C@H]1COCCC12CN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)C2 ZINC001167167746 1072269717 /nfs/dbraw/zinc/26/97/17/1072269717.db2.gz MYFGRRQKIAMWQI-CHWSQXEVSA-N 1 2 375.429 -0.053 20 0 GBADLO COC(=O)[C@H]1COCCC12CN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)C2 ZINC001167167747 1072269618 /nfs/dbraw/zinc/26/96/18/1072269618.db2.gz MYFGRRQKIAMWQI-OLZOCXBDSA-N 1 2 375.429 -0.053 20 0 GBADLO COC(=O)[C@H]1COCCC12CN(c1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)C2 ZINC001167167747 1072269611 /nfs/dbraw/zinc/26/96/11/1072269611.db2.gz MYFGRRQKIAMWQI-OLZOCXBDSA-N 1 2 375.429 -0.053 20 0 GBADLO COC(=O)[C@@H]1COCCC12CN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)C2 ZINC001167167748 1072269445 /nfs/dbraw/zinc/26/94/45/1072269445.db2.gz MYFGRRQKIAMWQI-QWHCGFSZSA-N 1 2 375.429 -0.053 20 0 GBADLO COC(=O)[C@@H]1COCCC12CN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)C2 ZINC001167167748 1072269438 /nfs/dbraw/zinc/26/94/38/1072269438.db2.gz MYFGRRQKIAMWQI-QWHCGFSZSA-N 1 2 375.429 -0.053 20 0 GBADLO COC(=O)[C@@H]1COCCC12CN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)C2 ZINC001167167749 1072270002 /nfs/dbraw/zinc/27/00/02/1072270002.db2.gz MYFGRRQKIAMWQI-STQMWFEESA-N 1 2 375.429 -0.053 20 0 GBADLO COC(=O)[C@@H]1COCCC12CN(c1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)C2 ZINC001167167749 1072269990 /nfs/dbraw/zinc/26/99/90/1072269990.db2.gz MYFGRRQKIAMWQI-STQMWFEESA-N 1 2 375.429 -0.053 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001167213129 1072277307 /nfs/dbraw/zinc/27/73/07/1072277307.db2.gz DDOFIMNSARVTGC-GDBMZVCRSA-N 1 2 375.491 -0.810 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001167213129 1072277298 /nfs/dbraw/zinc/27/72/98/1072277298.db2.gz DDOFIMNSARVTGC-GDBMZVCRSA-N 1 2 375.491 -0.810 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001167213130 1072277465 /nfs/dbraw/zinc/27/74/65/1072277465.db2.gz DDOFIMNSARVTGC-GOEBONIOSA-N 1 2 375.491 -0.810 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001167213130 1072277457 /nfs/dbraw/zinc/27/74/57/1072277457.db2.gz DDOFIMNSARVTGC-GOEBONIOSA-N 1 2 375.491 -0.810 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001167213131 1072277605 /nfs/dbraw/zinc/27/76/05/1072277605.db2.gz DDOFIMNSARVTGC-HOCLYGCPSA-N 1 2 375.491 -0.810 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001167213131 1072277598 /nfs/dbraw/zinc/27/75/98/1072277598.db2.gz DDOFIMNSARVTGC-HOCLYGCPSA-N 1 2 375.491 -0.810 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001167213132 1072277049 /nfs/dbraw/zinc/27/70/49/1072277049.db2.gz DDOFIMNSARVTGC-ZBFHGGJFSA-N 1 2 375.491 -0.810 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001167213132 1072277042 /nfs/dbraw/zinc/27/70/42/1072277042.db2.gz DDOFIMNSARVTGC-ZBFHGGJFSA-N 1 2 375.491 -0.810 20 0 GBADLO N=c1cc(C[NH3+])ncn1-c1ccc(F)c(S(=O)(=O)NCc2cn[nH]n2)c1 ZINC001167362478 1072430479 /nfs/dbraw/zinc/43/04/79/1072430479.db2.gz XDAOOVNWQJLJMU-UHFFFAOYSA-N 1 2 378.393 -0.454 20 0 GBADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001167451289 1072552285 /nfs/dbraw/zinc/55/22/85/1072552285.db2.gz HNPDPPLUJJATRD-UHFFFAOYSA-N 1 2 393.473 -0.750 20 0 GBADLO CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001167451450 1072552063 /nfs/dbraw/zinc/55/20/63/1072552063.db2.gz KGMPHBMVJIULAZ-AWEZNQCLSA-N 1 2 394.476 -0.400 20 0 GBADLO CNC(=O)Cc1noc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)n1 ZINC001167468198 1072602698 /nfs/dbraw/zinc/60/26/98/1072602698.db2.gz QJKHSEXPWZEDAT-UHFFFAOYSA-N 1 2 375.433 -0.266 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001167470569 1072606583 /nfs/dbraw/zinc/60/65/83/1072606583.db2.gz VJXVHZJGKOTGMF-CABCVRRESA-N 1 2 376.413 -0.478 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001167470569 1072606578 /nfs/dbraw/zinc/60/65/78/1072606578.db2.gz VJXVHZJGKOTGMF-CABCVRRESA-N 1 2 376.413 -0.478 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001167470570 1072606364 /nfs/dbraw/zinc/60/63/64/1072606364.db2.gz VJXVHZJGKOTGMF-GJZGRUSLSA-N 1 2 376.413 -0.478 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001167470570 1072606360 /nfs/dbraw/zinc/60/63/60/1072606360.db2.gz VJXVHZJGKOTGMF-GJZGRUSLSA-N 1 2 376.413 -0.478 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001167470571 1072606508 /nfs/dbraw/zinc/60/65/08/1072606508.db2.gz VJXVHZJGKOTGMF-HUUCEWRRSA-N 1 2 376.413 -0.478 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001167470571 1072606507 /nfs/dbraw/zinc/60/65/07/1072606507.db2.gz VJXVHZJGKOTGMF-HUUCEWRRSA-N 1 2 376.413 -0.478 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001167470572 1072606677 /nfs/dbraw/zinc/60/66/77/1072606677.db2.gz VJXVHZJGKOTGMF-LSDHHAIUSA-N 1 2 376.413 -0.478 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001167470572 1072606669 /nfs/dbraw/zinc/60/66/69/1072606669.db2.gz VJXVHZJGKOTGMF-LSDHHAIUSA-N 1 2 376.413 -0.478 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001167470653 1072606488 /nfs/dbraw/zinc/60/64/88/1072606488.db2.gz XPYHQCZAENUTNG-UHFFFAOYSA-N 1 2 385.442 -0.479 20 0 GBADLO COc1ccc(S(N)(=O)=O)cc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001167470653 1072606483 /nfs/dbraw/zinc/60/64/83/1072606483.db2.gz XPYHQCZAENUTNG-UHFFFAOYSA-N 1 2 385.442 -0.479 20 0 GBADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC001167586737 1072371275 /nfs/dbraw/zinc/37/12/75/1072371275.db2.gz PMAQEQFEOQWWJW-UHFFFAOYSA-N 1 2 398.426 -0.908 20 0 GBADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC001167586737 1072371269 /nfs/dbraw/zinc/37/12/69/1072371269.db2.gz PMAQEQFEOQWWJW-UHFFFAOYSA-N 1 2 398.426 -0.908 20 0 GBADLO Cc1ncc(C[NH3+])c(=N)n1-c1ccc(F)c(S(=O)(=O)NCc2c[nH]nn2)c1 ZINC001167677034 1072573377 /nfs/dbraw/zinc/57/33/77/1072573377.db2.gz GOLWKNUZPTXDCX-UHFFFAOYSA-N 1 2 392.420 -0.145 20 0 GBADLO Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001167858614 1073659144 /nfs/dbraw/zinc/65/91/44/1073659144.db2.gz PVJKWRGRPMCHEC-JQWIXIFHSA-N 1 2 384.462 -0.226 20 0 GBADLO NC(=O)C1CCN(c2cc(NCCNC(=O)N3CCOCC3)nc[nH+]2)CC1 ZINC001167888525 1073689031 /nfs/dbraw/zinc/68/90/31/1073689031.db2.gz RAPXRSMJRMYGKS-UHFFFAOYSA-N 1 2 377.449 -0.368 20 0 GBADLO NC(=O)C1CCN(c2cc(NCCNC(=O)N3CCOCC3)[nH+]cn2)CC1 ZINC001167888525 1073689026 /nfs/dbraw/zinc/68/90/26/1073689026.db2.gz RAPXRSMJRMYGKS-UHFFFAOYSA-N 1 2 377.449 -0.368 20 0 GBADLO COc1cc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(C)[nH+]1 ZINC001210774426 1072422956 /nfs/dbraw/zinc/42/29/56/1072422956.db2.gz NAJQBKBCKZCJMS-RVXWVPLUSA-N 1 2 379.373 -0.951 20 0 GBADLO COC(=O)CC1(NS(=O)(=O)CCn2cc[nH+]c2)CCS(=O)(=O)CC1 ZINC001211578765 1072457737 /nfs/dbraw/zinc/45/77/37/1072457737.db2.gz CCFKSRVFGIPWTH-UHFFFAOYSA-N 1 2 379.460 -0.687 20 0 GBADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC001211840737 1072322587 /nfs/dbraw/zinc/32/25/87/1072322587.db2.gz VWXZMTNZHVUTGF-UHFFFAOYSA-N 1 2 388.511 -0.108 20 0 GBADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)C1 ZINC001211840737 1072322582 /nfs/dbraw/zinc/32/25/82/1072322582.db2.gz VWXZMTNZHVUTGF-UHFFFAOYSA-N 1 2 388.511 -0.108 20 0 GBADLO CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001213158100 1072304045 /nfs/dbraw/zinc/30/40/45/1072304045.db2.gz GQAKFHQFMORBBE-ZJIFWQFVSA-N 1 2 389.518 -0.586 20 0 GBADLO CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001213158100 1072304035 /nfs/dbraw/zinc/30/40/35/1072304035.db2.gz GQAKFHQFMORBBE-ZJIFWQFVSA-N 1 2 389.518 -0.586 20 0 GBADLO CC[C@@H](C(N)=O)[NH+]1CCN(CCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001266269509 1072143460 /nfs/dbraw/zinc/14/34/60/1072143460.db2.gz JOQPZDVNGVLGOL-LUKYLMHMSA-N 1 2 382.505 -0.574 20 0 GBADLO CC[C@H](C(N)=O)[NH+]1CCN(CCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001266269513 1072143548 /nfs/dbraw/zinc/14/35/48/1072143548.db2.gz JOQPZDVNGVLGOL-MWDXBVQZSA-N 1 2 382.505 -0.574 20 0 GBADLO CCCn1nnnc1CN1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001266288031 1072177379 /nfs/dbraw/zinc/17/73/79/1072177379.db2.gz OQRDTWMDZUBUGW-OCABDXPQSA-N 1 2 389.504 -0.260 20 0 GBADLO O=C(C[NH+]1CCN(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)N1CCC1 ZINC001266290395 1072181092 /nfs/dbraw/zinc/18/10/92/1072181092.db2.gz YDWWWPOSYKKXIA-XYJFISCASA-N 1 2 380.489 -0.996 20 0 GBADLO CC(C)NC(=O)NCCN1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001266292763 1072183245 /nfs/dbraw/zinc/18/32/45/1072183245.db2.gz UFGJJDGMQFTHPR-ZACQAIPSSA-N 1 2 381.521 -0.005 20 0 GBADLO CC(C)NC(=O)NCC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001266292763 1072183237 /nfs/dbraw/zinc/18/32/37/1072183237.db2.gz UFGJJDGMQFTHPR-ZACQAIPSSA-N 1 2 381.521 -0.005 20 0 GBADLO C[N@@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CC(=O)NCc1cccnc1 ZINC001266301276 1072204197 /nfs/dbraw/zinc/20/41/97/1072204197.db2.gz KDOCJTXSRBBMQZ-XYJFISCASA-N 1 2 376.457 -0.203 20 0 GBADLO C[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CC(=O)NCc1cccnc1 ZINC001266301276 1072204187 /nfs/dbraw/zinc/20/41/87/1072204187.db2.gz KDOCJTXSRBBMQZ-XYJFISCASA-N 1 2 376.457 -0.203 20 0 GBADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NC(=O)NC1CC1 ZINC001266331633 1072227631 /nfs/dbraw/zinc/22/76/31/1072227631.db2.gz SKBAOWNHSAGMMD-ATVPRXPUSA-N 1 2 380.445 -0.783 20 0 GBADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NC(=O)NC1CC1 ZINC001266331633 1072227628 /nfs/dbraw/zinc/22/76/28/1072227628.db2.gz SKBAOWNHSAGMMD-ATVPRXPUSA-N 1 2 380.445 -0.783 20 0 GBADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NC(=O)NC1CC1 ZINC001266331634 1072227913 /nfs/dbraw/zinc/22/79/13/1072227913.db2.gz SKBAOWNHSAGMMD-ZGMNHVEMSA-N 1 2 380.445 -0.783 20 0 GBADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NC(=O)NC1CC1 ZINC001266331634 1072227903 /nfs/dbraw/zinc/22/79/03/1072227903.db2.gz SKBAOWNHSAGMMD-ZGMNHVEMSA-N 1 2 380.445 -0.783 20 0 GBADLO C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)NCC(=O)N1CCCC1 ZINC001267207200 1072421860 /nfs/dbraw/zinc/42/18/60/1072421860.db2.gz BRTLZHGITLYIQF-JSEZXORMSA-N 1 2 378.473 -0.804 20 0 GBADLO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)NCC(=O)N1CCCC1 ZINC001267207200 1072421857 /nfs/dbraw/zinc/42/18/57/1072421857.db2.gz BRTLZHGITLYIQF-JSEZXORMSA-N 1 2 378.473 -0.804 20 0 GBADLO CNC(=O)C1CCN(C(=O)C[N@@H+](C)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001267207626 1072422955 /nfs/dbraw/zinc/42/29/55/1072422955.db2.gz MCHOPFRULMJZBX-OCABDXPQSA-N 1 2 392.500 -0.558 20 0 GBADLO CNC(=O)C1CCN(C(=O)C[N@H+](C)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001267207626 1072422945 /nfs/dbraw/zinc/42/29/45/1072422945.db2.gz MCHOPFRULMJZBX-OCABDXPQSA-N 1 2 392.500 -0.558 20 0 GBADLO C[N@@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Cc1cc(=O)n2[nH]ccc2n1 ZINC001267209618 1072423894 /nfs/dbraw/zinc/42/38/94/1072423894.db2.gz GNNYWNIADAHKGZ-RVSPLBMKSA-N 1 2 375.429 -0.378 20 0 GBADLO C[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Cc1cc(=O)n2[nH]ccc2n1 ZINC001267209618 1072423890 /nfs/dbraw/zinc/42/38/90/1072423890.db2.gz GNNYWNIADAHKGZ-RVSPLBMKSA-N 1 2 375.429 -0.378 20 0 GBADLO CN(CC[NH+]1CCN([C@@H]2CCC(=O)NC2=O)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001267573544 1072957716 /nfs/dbraw/zinc/95/77/16/1072957716.db2.gz TTXZFTPUSMQZLX-IDUQQSTBSA-N 1 2 390.484 -0.709 20 0 GBADLO CN(CCN1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001267573544 1072957710 /nfs/dbraw/zinc/95/77/10/1072957710.db2.gz TTXZFTPUSMQZLX-IDUQQSTBSA-N 1 2 390.484 -0.709 20 0 GBADLO CN(CC[NH+]1CCN([C@H]2CCC(=O)NC2=O)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001267573547 1072957820 /nfs/dbraw/zinc/95/78/20/1072957820.db2.gz TTXZFTPUSMQZLX-ZHHZMWCQSA-N 1 2 390.484 -0.709 20 0 GBADLO CN(CCN1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001267573547 1072957816 /nfs/dbraw/zinc/95/78/16/1072957816.db2.gz TTXZFTPUSMQZLX-ZHHZMWCQSA-N 1 2 390.484 -0.709 20 0 GBADLO CC[C@@H](C(N)=O)[NH+]1CCN(CCN(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001267609192 1073100013 /nfs/dbraw/zinc/10/00/13/1073100013.db2.gz RXNFGQIWNUJWAC-LUKYLMHMSA-N 1 2 382.505 -0.622 20 0 GBADLO CC[C@H](C(N)=O)[NH+]1CCN(CCN(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001267609193 1073100264 /nfs/dbraw/zinc/10/02/64/1073100264.db2.gz RXNFGQIWNUJWAC-MWDXBVQZSA-N 1 2 382.505 -0.622 20 0 GBADLO CN(CC[NH+]1CCN([C@@H]2CCC(=O)NC2=O)CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001267612659 1073111932 /nfs/dbraw/zinc/11/19/32/1073111932.db2.gz SYWHJUUUADFQQU-FPCVCCKLSA-N 1 2 378.473 -0.565 20 0 GBADLO CN(CCN1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001267612659 1073111924 /nfs/dbraw/zinc/11/19/24/1073111924.db2.gz SYWHJUUUADFQQU-FPCVCCKLSA-N 1 2 378.473 -0.565 20 0 GBADLO CN(CC[NH+]1CCN([C@H]2CCC(=O)NC2=O)CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001267612660 1073112053 /nfs/dbraw/zinc/11/20/53/1073112053.db2.gz SYWHJUUUADFQQU-WCVJEAGWSA-N 1 2 378.473 -0.565 20 0 GBADLO CN(CCN1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001267612660 1073112049 /nfs/dbraw/zinc/11/20/49/1073112049.db2.gz SYWHJUUUADFQQU-WCVJEAGWSA-N 1 2 378.473 -0.565 20 0 GBADLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001267685887 1073209550 /nfs/dbraw/zinc/20/95/50/1073209550.db2.gz JHCFNLPRTDOZPP-DVSCWCMQSA-N 1 2 376.457 -0.166 20 0 GBADLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001267685888 1073209568 /nfs/dbraw/zinc/20/95/68/1073209568.db2.gz JHCFNLPRTDOZPP-LAMGADJJSA-N 1 2 376.457 -0.166 20 0 GBADLO CC(C)CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001267686643 1073208601 /nfs/dbraw/zinc/20/86/01/1073208601.db2.gz RZGTXJPMZMDAQU-NMNMXBMNSA-N 1 2 378.473 -0.060 20 0 GBADLO CC(=O)NCCOCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001268023244 1073396918 /nfs/dbraw/zinc/39/69/18/1073396918.db2.gz HLTYZPCXJFVPMJ-RFSXOUPVSA-N 1 2 381.473 -0.621 20 0 GBADLO CC(=O)NCCOCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001268023244 1073396906 /nfs/dbraw/zinc/39/69/06/1073396906.db2.gz HLTYZPCXJFVPMJ-RFSXOUPVSA-N 1 2 381.473 -0.621 20 0 GBADLO CC(=O)NCCOCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001268023245 1073397029 /nfs/dbraw/zinc/39/70/29/1073397029.db2.gz HLTYZPCXJFVPMJ-ZXXIGWHRSA-N 1 2 381.473 -0.621 20 0 GBADLO CC(=O)NCCOCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001268023245 1073397021 /nfs/dbraw/zinc/39/70/21/1073397021.db2.gz HLTYZPCXJFVPMJ-ZXXIGWHRSA-N 1 2 381.473 -0.621 20 0 GBADLO CN(CC[N@@H+](C)CC(=O)NCC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268250750 1073688512 /nfs/dbraw/zinc/68/85/12/1073688512.db2.gz HDJHBEMINRZTFA-KFWWJZLASA-N 1 2 382.505 -0.025 20 0 GBADLO CN(CC[N@H+](C)CC(=O)NCC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268250750 1073688509 /nfs/dbraw/zinc/68/85/09/1073688509.db2.gz HDJHBEMINRZTFA-KFWWJZLASA-N 1 2 382.505 -0.025 20 0 GBADLO CNC(=O)Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001268317463 1073708519 /nfs/dbraw/zinc/70/85/19/1073708519.db2.gz MJVVANHDWFMXFJ-RFQIPJPRSA-N 1 2 379.461 -0.249 20 0 GBADLO CNC(=O)Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001268317466 1073708247 /nfs/dbraw/zinc/70/82/47/1073708247.db2.gz MJVVANHDWFMXFJ-XDQVBPFNSA-N 1 2 379.461 -0.249 20 0 GBADLO O=C(NC[C@@H](O)C[NH2+]Cc1nc(CC2CC2)no1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268319049 1073709125 /nfs/dbraw/zinc/70/91/25/1073709125.db2.gz UGYQMZGQUKKXTC-AYMQEEERSA-N 1 2 380.445 -0.360 20 0 GBADLO O=C(NC[C@H](O)C[NH2+]Cc1nc(CC2CC2)no1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268319050 1073709390 /nfs/dbraw/zinc/70/93/90/1073709390.db2.gz UGYQMZGQUKKXTC-QDEZUTFSSA-N 1 2 380.445 -0.360 20 0 GBADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NC[C@@H]1CCCO1 ZINC001268854596 1072208137 /nfs/dbraw/zinc/20/81/37/1072208137.db2.gz PTYZTJQMLRPXBY-NBOOPKSLSA-N 1 2 381.473 -0.619 20 0 GBADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NC[C@H]1CCCO1 ZINC001268854597 1072209434 /nfs/dbraw/zinc/20/94/34/1072209434.db2.gz PTYZTJQMLRPXBY-UIBIWLFHSA-N 1 2 381.473 -0.619 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001269064848 1072304953 /nfs/dbraw/zinc/30/49/53/1072304953.db2.gz BCPCWAUTFMQLBO-JJXSEGSLSA-N 1 2 380.489 -0.271 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001269064848 1072304943 /nfs/dbraw/zinc/30/49/43/1072304943.db2.gz BCPCWAUTFMQLBO-JJXSEGSLSA-N 1 2 380.489 -0.271 20 0 GBADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001269592468 1072584001 /nfs/dbraw/zinc/58/40/01/1072584001.db2.gz CWDHZLVIHQGXAP-NFPPBLBISA-N 1 2 376.457 -0.069 20 0 GBADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001269592468 1072583994 /nfs/dbraw/zinc/58/39/94/1072583994.db2.gz CWDHZLVIHQGXAP-NFPPBLBISA-N 1 2 376.457 -0.069 20 0 GBADLO NC(=O)NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001269593312 1072583318 /nfs/dbraw/zinc/58/33/18/1072583318.db2.gz UHACYVYJTLBTNR-HCZIRCDUSA-N 1 2 380.445 -0.702 20 0 GBADLO NC(=O)NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001269593312 1072583308 /nfs/dbraw/zinc/58/33/08/1072583308.db2.gz UHACYVYJTLBTNR-HCZIRCDUSA-N 1 2 380.445 -0.702 20 0 GBADLO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC2(C1)C[NH+](Cc1scnc1C)C2 ZINC001269855402 1072644620 /nfs/dbraw/zinc/64/46/20/1072644620.db2.gz HRNNVXFQYWZYPY-ZDUSSCGKSA-N 1 2 379.486 -0.134 20 0 GBADLO CCC(=O)C(=O)N1C[C@@H](C(=O)NCCS(C)(=O)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001269871993 1072649007 /nfs/dbraw/zinc/64/90/07/1072649007.db2.gz CKPHJFSPDJVJSG-VXGBXAGGSA-N 1 2 384.458 -0.898 20 0 GBADLO C=C(Cl)C(=O)N1C[C@@H](C(=O)NCCS(C)(=O)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001269882213 1072652926 /nfs/dbraw/zinc/65/29/26/1072652926.db2.gz JMKVMHRAMAWQBR-VXGBXAGGSA-N 1 2 388.877 -0.125 20 0 GBADLO Cn1c[nH+]c([C@@H]2CN(C(=O)C3(F)CC3)C[C@H]2C(=O)NCCS(C)(=O)=O)c1 ZINC001269930389 1072680549 /nfs/dbraw/zinc/68/05/49/1072680549.db2.gz HTEVAWMAMPSCKS-VXGBXAGGSA-N 1 2 386.449 -0.375 20 0 GBADLO Cn1c[nH+]c([C@@H]2CN(C(=O)[C@H]3C[C@@H]3F)C[C@H]2C(=O)NCCS(C)(=O)=O)c1 ZINC001269942459 1072689200 /nfs/dbraw/zinc/68/92/00/1072689200.db2.gz UFDRUTVQBVQUAX-LOWDOPEQSA-N 1 2 386.449 -0.519 20 0 GBADLO Cn1c[nH+]c([C@@H]2CN(C(=O)C(C)(F)F)C[C@H]2C(=O)NCCS(C)(=O)=O)c1 ZINC001270082190 1072742326 /nfs/dbraw/zinc/74/23/26/1072742326.db2.gz ZOBPQEZHLGRTIP-GHMZBOCLSA-N 1 2 392.428 -0.222 20 0 GBADLO Cn1c[nH+]c([C@@H]2CN(C(=O)C(C)(C)F)C[C@H]2C(=O)NCCS(C)(=O)=O)c1 ZINC001270088690 1072745580 /nfs/dbraw/zinc/74/55/80/1072745580.db2.gz IITPDTJAFKZXRK-VXGBXAGGSA-N 1 2 388.465 -0.129 20 0 GBADLO CS(=O)(=O)CCNC(=O)c1n[nH]c2c1CCN(C(=O)C[NH+]1CCCC1)C2 ZINC001270096131 1072748561 /nfs/dbraw/zinc/74/85/61/1072748561.db2.gz QZZFYDRYRHGECU-UHFFFAOYSA-N 1 2 383.474 -0.835 20 0 GBADLO Cn1nnnc1C[NH+]1CCC(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001270131287 1072765132 /nfs/dbraw/zinc/76/51/32/1072765132.db2.gz PQAVANAGPTXXKC-YQQAZPJKSA-N 1 2 378.477 -0.020 20 0 GBADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001270162875 1072774429 /nfs/dbraw/zinc/77/44/29/1072774429.db2.gz JGROUYIQTVGUGY-AXFHLTTASA-N 1 2 378.351 -0.161 20 0 GBADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001270162875 1072774422 /nfs/dbraw/zinc/77/44/22/1072774422.db2.gz JGROUYIQTVGUGY-AXFHLTTASA-N 1 2 378.351 -0.161 20 0 GBADLO Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001270163092 1072775296 /nfs/dbraw/zinc/77/52/96/1072775296.db2.gz RGNWJTJBYFCRQH-TUAOUCFPSA-N 1 2 379.442 -0.539 20 0 GBADLO Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001270163092 1072775286 /nfs/dbraw/zinc/77/52/86/1072775286.db2.gz RGNWJTJBYFCRQH-TUAOUCFPSA-N 1 2 379.442 -0.539 20 0 GBADLO Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CCCS(N)(=O)=O ZINC001270210670 1072814944 /nfs/dbraw/zinc/81/49/44/1072814944.db2.gz WPVHZUBTYWBCHP-BETUJISGSA-N 1 2 388.515 -0.068 20 0 GBADLO Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CCCS(N)(=O)=O ZINC001270210670 1072814940 /nfs/dbraw/zinc/81/49/40/1072814940.db2.gz WPVHZUBTYWBCHP-BETUJISGSA-N 1 2 388.515 -0.068 20 0 GBADLO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3c[nH]c4cc[nH+]cc43)C[C@H]21 ZINC001270286295 1072859345 /nfs/dbraw/zinc/85/93/45/1072859345.db2.gz OOFYWWWSKIXKER-CABCVRRESA-N 1 2 379.442 -0.106 20 0 GBADLO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3c[nH]c4cc[nH+]cc43)C[C@@H]21 ZINC001270286297 1072859807 /nfs/dbraw/zinc/85/98/07/1072859807.db2.gz OOFYWWWSKIXKER-GJZGRUSLSA-N 1 2 379.442 -0.106 20 0 GBADLO CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001270286857 1072860127 /nfs/dbraw/zinc/86/01/27/1072860127.db2.gz UZHUEWPWJVLAFT-TXEJJXNPSA-N 1 2 379.442 -0.106 20 0 GBADLO CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)c3c[nH]c4cc[nH+]cc43)C[C@@H](C1)O2 ZINC001270287010 1072860781 /nfs/dbraw/zinc/86/07/81/1072860781.db2.gz WPNIIZGECNHVSL-TXEJJXNPSA-N 1 2 379.442 -0.106 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)[C@@H](C)n1cc[nH+]c1)C2 ZINC001270291899 1072861735 /nfs/dbraw/zinc/86/17/35/1072861735.db2.gz HERFPLYPRRLPDO-CYBMUJFWSA-N 1 2 384.458 -0.681 20 0 GBADLO CCS(=O)(=O)CCN1CC2(CN(C(=O)[C@@H](C)n3cc[nH+]c3)C2)OCC1=O ZINC001270291914 1072861563 /nfs/dbraw/zinc/86/15/63/1072861563.db2.gz HMIAQCJAIHBNBX-CYBMUJFWSA-N 1 2 384.458 -0.681 20 0 GBADLO O=C([C@@H](CO)n1cc[nH+]c1)N1CC[C@@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001270300664 1072864817 /nfs/dbraw/zinc/86/48/17/1072864817.db2.gz AHSWTUBTLAQQQN-BXUZGUMPSA-N 1 2 376.335 -0.191 20 0 GBADLO O=C([C@H](CO)n1cc[nH+]c1)N1CC[C@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001270300665 1072865202 /nfs/dbraw/zinc/86/52/02/1072865202.db2.gz AHSWTUBTLAQQQN-FZMZJTMJSA-N 1 2 376.335 -0.191 20 0 GBADLO O=C([C@@H](CO)n1cc[nH+]c1)N1CC[C@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001270300666 1072864475 /nfs/dbraw/zinc/86/44/75/1072864475.db2.gz AHSWTUBTLAQQQN-RISCZKNCSA-N 1 2 376.335 -0.191 20 0 GBADLO O=C([C@H](CO)n1cc[nH+]c1)N1CC[C@@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001270300667 1072865275 /nfs/dbraw/zinc/86/52/75/1072865275.db2.gz AHSWTUBTLAQQQN-SMDDNHRTSA-N 1 2 376.335 -0.191 20 0 GBADLO O=C([C@@H](CO)n1cc[nH+]c1)N1CC2(C1)COCC(=O)N2CCC(F)(F)F ZINC001270301156 1072865788 /nfs/dbraw/zinc/86/57/88/1072865788.db2.gz NHEKNJRLJDISGT-LLVKDONJSA-N 1 2 376.335 -0.191 20 0 GBADLO O=C([C@H](CO)n1cc[nH+]c1)N1CC2(C1)COCC(=O)N2CCC(F)(F)F ZINC001270301157 1072865689 /nfs/dbraw/zinc/86/56/89/1072865689.db2.gz NHEKNJRLJDISGT-NSHDSACASA-N 1 2 376.335 -0.191 20 0 GBADLO O=C([C@@H](CO)n1cc[nH+]c1)N1CC2(C1)CN(CCC(F)(F)F)C(=O)CO2 ZINC001270302321 1072866243 /nfs/dbraw/zinc/86/62/43/1072866243.db2.gz YMOYDYPDRBFXFT-LLVKDONJSA-N 1 2 376.335 -0.191 20 0 GBADLO O=C([C@H](CO)n1cc[nH+]c1)N1CC2(C1)CN(CCC(F)(F)F)C(=O)CO2 ZINC001270302322 1072865883 /nfs/dbraw/zinc/86/58/83/1072865883.db2.gz YMOYDYPDRBFXFT-NSHDSACASA-N 1 2 376.335 -0.191 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001270334774 1072882448 /nfs/dbraw/zinc/88/24/48/1072882448.db2.gz NTQHZWSGJOQEMU-UHFFFAOYSA-N 1 2 384.458 -0.783 20 0 GBADLO CCS(=O)(=O)CCN1CC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)OCC1=O ZINC001270336291 1072882210 /nfs/dbraw/zinc/88/22/10/1072882210.db2.gz YSBUKXYJZRVSAB-UHFFFAOYSA-N 1 2 384.458 -0.783 20 0 GBADLO O=C([C@@H](O)C(F)(F)F)N1C[C@@]2(F)C(=O)N(CCn3cc[nH+]c3)C[C@@]2(F)C1 ZINC001270352655 1072892709 /nfs/dbraw/zinc/89/27/09/1072892709.db2.gz FXDBKTVLLQVQKN-OASPWFOLSA-N 1 2 382.289 -0.093 20 0 GBADLO O=C([C@H](O)C(F)(F)F)N1C[C@@]2(F)C(=O)N(CCn3cc[nH+]c3)C[C@@]2(F)C1 ZINC001270352658 1072892510 /nfs/dbraw/zinc/89/25/10/1072892510.db2.gz FXDBKTVLLQVQKN-ZWKOPEQDSA-N 1 2 382.289 -0.093 20 0 GBADLO O=C([C@H](O)C(F)(F)F)N1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001270353803 1072893995 /nfs/dbraw/zinc/89/39/95/1072893995.db2.gz NTOFRFFNDGZPAI-GXTWGEPZSA-N 1 2 376.335 -0.364 20 0 GBADLO O=C([C@H](O)C(F)(F)F)N1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001270353804 1072893496 /nfs/dbraw/zinc/89/34/96/1072893496.db2.gz NTOFRFFNDGZPAI-JSGCOSHPSA-N 1 2 376.335 -0.364 20 0 GBADLO O=C([C@@H](O)C(F)(F)F)N1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001270353805 1072894069 /nfs/dbraw/zinc/89/40/69/1072894069.db2.gz NTOFRFFNDGZPAI-OCCSQVGLSA-N 1 2 376.335 -0.364 20 0 GBADLO O=C([C@@H](O)C(F)(F)F)N1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001270353806 1072894227 /nfs/dbraw/zinc/89/42/27/1072894227.db2.gz NTOFRFFNDGZPAI-TZMCWYRMSA-N 1 2 376.335 -0.364 20 0 GBADLO Cn1c[nH+]cc1CN1C[C@]2(CCN(C(=O)[C@H](O)C(F)(F)F)C2)OCC1=O ZINC001270354186 1072894503 /nfs/dbraw/zinc/89/45/03/1072894503.db2.gz UFSIJGJWMYCIGO-GXTWGEPZSA-N 1 2 376.335 -0.327 20 0 GBADLO Cn1c[nH+]cc1CN1C[C@@]2(CCN(C(=O)[C@H](O)C(F)(F)F)C2)OCC1=O ZINC001270354187 1072895020 /nfs/dbraw/zinc/89/50/20/1072895020.db2.gz UFSIJGJWMYCIGO-JSGCOSHPSA-N 1 2 376.335 -0.327 20 0 GBADLO Cn1c[nH+]cc1CN1C[C@@]2(CCN(C(=O)[C@@H](O)C(F)(F)F)C2)OCC1=O ZINC001270354188 1072894814 /nfs/dbraw/zinc/89/48/14/1072894814.db2.gz UFSIJGJWMYCIGO-OCCSQVGLSA-N 1 2 376.335 -0.327 20 0 GBADLO Cn1c[nH+]cc1CN1C[C@]2(CCN(C(=O)[C@@H](O)C(F)(F)F)C2)OCC1=O ZINC001270354189 1072895269 /nfs/dbraw/zinc/89/52/69/1072895269.db2.gz UFSIJGJWMYCIGO-TZMCWYRMSA-N 1 2 376.335 -0.327 20 0 GBADLO CC[NH+](CC)CC(=O)N1CC2(C1)COCC(=O)N2CCS(=O)(=O)CC ZINC001270359631 1072895539 /nfs/dbraw/zinc/89/55/39/1072895539.db2.gz YQNCURHPYVOJSM-UHFFFAOYSA-N 1 2 375.491 -0.797 20 0 GBADLO C[C@@](O)(C(=O)N1CC2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2)C(F)(F)F ZINC001270431423 1072925482 /nfs/dbraw/zinc/92/54/82/1072925482.db2.gz KSNRDOPJHZVZSM-CYBMUJFWSA-N 1 2 376.335 -0.364 20 0 GBADLO C[C@](O)(C(=O)N1CC2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2)C(F)(F)F ZINC001270431424 1072925835 /nfs/dbraw/zinc/92/58/35/1072925835.db2.gz KSNRDOPJHZVZSM-ZDUSSCGKSA-N 1 2 376.335 -0.364 20 0 GBADLO Cn1c[nH+]cc1CN1C(=O)COCC12CN(C(=O)[C@@](C)(O)C(F)(F)F)C2 ZINC001270433219 1072926407 /nfs/dbraw/zinc/92/64/07/1072926407.db2.gz MHYBIWURYKXROF-CYBMUJFWSA-N 1 2 376.335 -0.327 20 0 GBADLO Cn1c[nH+]cc1CN1C(=O)COCC12CN(C(=O)[C@](C)(O)C(F)(F)F)C2 ZINC001270433220 1072926524 /nfs/dbraw/zinc/92/65/24/1072926524.db2.gz MHYBIWURYKXROF-ZDUSSCGKSA-N 1 2 376.335 -0.327 20 0 GBADLO C[C@@](O)(C(=O)N1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1)C(F)(F)F ZINC001270434133 1072927514 /nfs/dbraw/zinc/92/75/14/1072927514.db2.gz VTBBEXZHGKYQQP-CYBMUJFWSA-N 1 2 376.335 -0.364 20 0 GBADLO C[C@](O)(C(=O)N1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1)C(F)(F)F ZINC001270434135 1072927399 /nfs/dbraw/zinc/92/73/99/1072927399.db2.gz VTBBEXZHGKYQQP-ZDUSSCGKSA-N 1 2 376.335 -0.364 20 0 GBADLO Cn1c[nH+]cc1CN1CC2(CN(C(=O)[C@@](C)(O)C(F)(F)F)C2)OCC1=O ZINC001270435290 1072927330 /nfs/dbraw/zinc/92/73/30/1072927330.db2.gz YPXSHBPMFBDVJA-CYBMUJFWSA-N 1 2 376.335 -0.327 20 0 GBADLO Cn1c[nH+]cc1CN1CC2(CN(C(=O)[C@](C)(O)C(F)(F)F)C2)OCC1=O ZINC001270435292 1072926992 /nfs/dbraw/zinc/92/69/92/1072926992.db2.gz YPXSHBPMFBDVJA-ZDUSSCGKSA-N 1 2 376.335 -0.327 20 0 GBADLO O=C([C@@H]1CSCC(=O)N1)N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001270474372 1072942303 /nfs/dbraw/zinc/94/23/03/1072942303.db2.gz DTXIIRSSMYQQIB-BFHYXJOUSA-N 1 2 377.470 -0.293 20 0 GBADLO O=C([C@H]1CSCC(=O)N1)N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001270474373 1072942267 /nfs/dbraw/zinc/94/22/67/1072942267.db2.gz DTXIIRSSMYQQIB-MGPQQGTHSA-N 1 2 377.470 -0.293 20 0 GBADLO O=C([C@H]1CSCC(=O)N1)N1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001270474631 1072942561 /nfs/dbraw/zinc/94/25/61/1072942561.db2.gz GQOAZJMIZZXEHC-CXAGYDPISA-N 1 2 377.470 -0.434 20 0 GBADLO O=C([C@H]1CSCC(=O)N1)N1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001270474632 1072942602 /nfs/dbraw/zinc/94/26/02/1072942602.db2.gz GQOAZJMIZZXEHC-DYVFJYSZSA-N 1 2 377.470 -0.434 20 0 GBADLO O=C([C@@H]1CSCC(=O)N1)N1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001270474633 1072942457 /nfs/dbraw/zinc/94/24/57/1072942457.db2.gz GQOAZJMIZZXEHC-GUYCJALGSA-N 1 2 377.470 -0.434 20 0 GBADLO O=C([C@@H]1CSCC(=O)N1)N1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001270474634 1072942229 /nfs/dbraw/zinc/94/22/29/1072942229.db2.gz GQOAZJMIZZXEHC-SUMWQHHRSA-N 1 2 377.470 -0.434 20 0 GBADLO O=C([C@H]1CSCC(=O)N1)N1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001270476527 1072944510 /nfs/dbraw/zinc/94/45/10/1072944510.db2.gz ZLERQLVUKCJIOK-CXAGYDPISA-N 1 2 377.470 -0.292 20 0 GBADLO O=C([C@H]1CSCC(=O)N1)N1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001270476528 1072944579 /nfs/dbraw/zinc/94/45/79/1072944579.db2.gz ZLERQLVUKCJIOK-DYVFJYSZSA-N 1 2 377.470 -0.292 20 0 GBADLO O=C([C@@H]1CSCC(=O)N1)N1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001270476529 1072944535 /nfs/dbraw/zinc/94/45/35/1072944535.db2.gz ZLERQLVUKCJIOK-GUYCJALGSA-N 1 2 377.470 -0.292 20 0 GBADLO O=C([C@@H]1CSCC(=O)N1)N1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001270476530 1072944828 /nfs/dbraw/zinc/94/48/28/1072944828.db2.gz ZLERQLVUKCJIOK-SUMWQHHRSA-N 1 2 377.470 -0.292 20 0 GBADLO Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C(=O)[C@H]2CSCC(=O)N2)C1=O ZINC001270478857 1072946824 /nfs/dbraw/zinc/94/68/24/1072946824.db2.gz HEVKSBGJFGKBEY-CXAGYDPISA-N 1 2 377.470 -0.255 20 0 GBADLO Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C(=O)[C@H]2CSCC(=O)N2)C1=O ZINC001270478858 1072946837 /nfs/dbraw/zinc/94/68/37/1072946837.db2.gz HEVKSBGJFGKBEY-DYVFJYSZSA-N 1 2 377.470 -0.255 20 0 GBADLO Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C(=O)[C@@H]2CSCC(=O)N2)C1=O ZINC001270478859 1072946713 /nfs/dbraw/zinc/94/67/13/1072946713.db2.gz HEVKSBGJFGKBEY-GUYCJALGSA-N 1 2 377.470 -0.255 20 0 GBADLO Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C(=O)[C@@H]2CSCC(=O)N2)C1=O ZINC001270478860 1072946832 /nfs/dbraw/zinc/94/68/32/1072946832.db2.gz HEVKSBGJFGKBEY-SUMWQHHRSA-N 1 2 377.470 -0.255 20 0 GBADLO Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)[C@H]3CSCC(=O)N3)C2)C1=O ZINC001270478872 1072946878 /nfs/dbraw/zinc/94/68/78/1072946878.db2.gz HMVSDJHRSYSUTE-CXAGYDPISA-N 1 2 377.470 -0.397 20 0 GBADLO Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)[C@H]3CSCC(=O)N3)C2)C1=O ZINC001270478873 1072946925 /nfs/dbraw/zinc/94/69/25/1072946925.db2.gz HMVSDJHRSYSUTE-DYVFJYSZSA-N 1 2 377.470 -0.397 20 0 GBADLO Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)[C@@H]3CSCC(=O)N3)C2)C1=O ZINC001270478874 1072946907 /nfs/dbraw/zinc/94/69/07/1072946907.db2.gz HMVSDJHRSYSUTE-GUYCJALGSA-N 1 2 377.470 -0.397 20 0 GBADLO Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)[C@@H]3CSCC(=O)N3)C2)C1=O ZINC001270478875 1072947161 /nfs/dbraw/zinc/94/71/61/1072947161.db2.gz HMVSDJHRSYSUTE-SUMWQHHRSA-N 1 2 377.470 -0.397 20 0 GBADLO Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CSCC(=O)N1 ZINC001270480084 1072947701 /nfs/dbraw/zinc/94/77/01/1072947701.db2.gz UCYXUZXHJBFMJG-BFHYXJOUSA-N 1 2 377.470 -0.256 20 0 GBADLO Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CSCC(=O)N1 ZINC001270480085 1072947826 /nfs/dbraw/zinc/94/78/26/1072947826.db2.gz UCYXUZXHJBFMJG-MGPQQGTHSA-N 1 2 377.470 -0.256 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)[C@H](C)[NH+]1CCCC1)C2 ZINC001270489451 1072949116 /nfs/dbraw/zinc/94/91/16/1072949116.db2.gz GYSVWBFOBAFPEX-AWEZNQCLSA-N 1 2 387.502 -0.655 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)[C@@H](C)[NH+]1CCCC1)C2 ZINC001270489453 1072949255 /nfs/dbraw/zinc/94/92/55/1072949255.db2.gz GYSVWBFOBAFPEX-CQSZACIVSA-N 1 2 387.502 -0.655 20 0 GBADLO CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc2[nH+]ccn21 ZINC001270497274 1072952841 /nfs/dbraw/zinc/95/28/41/1072952841.db2.gz VVWASHXKJWDXRR-BETUJISGSA-N 1 2 379.442 -0.334 20 0 GBADLO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC001270497529 1072953151 /nfs/dbraw/zinc/95/31/51/1072953151.db2.gz YYNUKYLBMYWDPW-KBPBESRZSA-N 1 2 379.442 -0.334 20 0 GBADLO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC001270497533 1072952873 /nfs/dbraw/zinc/95/28/73/1072952873.db2.gz YYNUKYLBMYWDPW-KGLIPLIRSA-N 1 2 379.442 -0.334 20 0 GBADLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CCN(C(=O)CNS(C)(=O)=O)CC2 ZINC001270510890 1072957647 /nfs/dbraw/zinc/95/76/47/1072957647.db2.gz BUVXFQUXAIWNLK-CYBMUJFWSA-N 1 2 383.474 -0.786 20 0 GBADLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CCN(C(=O)CNS(C)(=O)=O)CC2 ZINC001270510892 1072957255 /nfs/dbraw/zinc/95/72/55/1072957255.db2.gz BUVXFQUXAIWNLK-ZDUSSCGKSA-N 1 2 383.474 -0.786 20 0 GBADLO CS(=O)(=O)NCC(=O)N1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001270511391 1072958567 /nfs/dbraw/zinc/95/85/67/1072958567.db2.gz JDWZQWQBNAEGFH-INIZCTEOSA-N 1 2 383.474 -0.584 20 0 GBADLO CS(=O)(=O)NCC(=O)N1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001270511394 1072958326 /nfs/dbraw/zinc/95/83/26/1072958326.db2.gz JDWZQWQBNAEGFH-MRXNPFEDSA-N 1 2 383.474 -0.584 20 0 GBADLO Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)CCCCN2C(=O)CNS(C)(=O)=O ZINC001270511665 1072958120 /nfs/dbraw/zinc/95/81/20/1072958120.db2.gz JQFGUTMRVBNGCN-INIZCTEOSA-N 1 2 383.474 -0.547 20 0 GBADLO Cn1c[nH+]cc1CN1C[C@]2(CC1=O)CCCCN2C(=O)CNS(C)(=O)=O ZINC001270511668 1072958179 /nfs/dbraw/zinc/95/81/79/1072958179.db2.gz JQFGUTMRVBNGCN-MRXNPFEDSA-N 1 2 383.474 -0.547 20 0 GBADLO CS(=O)(=O)NCC(=O)N1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001270512287 1072959156 /nfs/dbraw/zinc/95/91/56/1072959156.db2.gz NJLYTPQGDHOZQB-UHFFFAOYSA-N 1 2 383.474 -0.727 20 0 GBADLO CS(=O)(=O)NCC(=O)N1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001270513307 1072959760 /nfs/dbraw/zinc/95/97/60/1072959760.db2.gz VIYQVWVDTWNHOQ-CYBMUJFWSA-N 1 2 383.474 -0.823 20 0 GBADLO CS(=O)(=O)NCC(=O)N1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001270513309 1072960202 /nfs/dbraw/zinc/96/02/02/1072960202.db2.gz VIYQVWVDTWNHOQ-ZDUSSCGKSA-N 1 2 383.474 -0.823 20 0 GBADLO Cn1c[nH+]cc1CN1CCC2(CCN(C(=O)CNS(C)(=O)=O)CC2)C1=O ZINC001270513355 1072959949 /nfs/dbraw/zinc/95/99/49/1072959949.db2.gz WFUYZMXHMZKQRV-UHFFFAOYSA-N 1 2 383.474 -0.690 20 0 GBADLO CN(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n(c1=O)CCS2 ZINC001270533306 1072968318 /nfs/dbraw/zinc/96/83/18/1072968318.db2.gz WBODCPWOEMTNRV-TXEJJXNPSA-N 1 2 377.470 -0.274 20 0 GBADLO CN(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n(c1=O)CCS2 ZINC001270533306 1072968309 /nfs/dbraw/zinc/96/83/09/1072968309.db2.gz WBODCPWOEMTNRV-TXEJJXNPSA-N 1 2 377.470 -0.274 20 0 GBADLO CCS(=O)(=O)CCN1C[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)OCC1=O ZINC001270593047 1072993446 /nfs/dbraw/zinc/99/34/46/1072993446.db2.gz BFBQYYNKSYTCGU-INIZCTEOSA-N 1 2 384.458 -0.852 20 0 GBADLO CCS(=O)(=O)CCN1C[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)OCC1=O ZINC001270593048 1072993356 /nfs/dbraw/zinc/99/33/56/1072993356.db2.gz BFBQYYNKSYTCGU-MRXNPFEDSA-N 1 2 384.458 -0.852 20 0 GBADLO CCS(=O)(=O)CCN1C[C@@]2(F)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(F)C1=O ZINC001270593166 1072993270 /nfs/dbraw/zinc/99/32/70/1072993270.db2.gz CJQOTOULWXTJDE-HUUCEWRRSA-N 1 2 390.412 -0.581 20 0 GBADLO CSCCC(=O)N1C[C@@H](C(=O)Nc2nnnn2C)[C@H](c2cn(C)c[nH+]2)C1 ZINC001270605594 1073002953 /nfs/dbraw/zinc/00/29/53/1073002953.db2.gz GTEVXIAZFFPQEQ-GHMZBOCLSA-N 1 2 378.462 -0.123 20 0 GBADLO CSCCC(=O)N1C[C@@H](C(=O)NCC(=O)N(C)C)[C@H](c2cn(C)c[nH+]2)C1 ZINC001270607461 1073005307 /nfs/dbraw/zinc/00/53/07/1073005307.db2.gz UYLOGRGNRMTOBY-CHWSQXEVSA-N 1 2 381.502 -0.080 20 0 GBADLO CN(C)S(=O)(=O)N1CC2(CN(C(=O)c3nc4c(s3)C[N@@H+](C)CC4)C2)C1 ZINC001270977738 1073230981 /nfs/dbraw/zinc/23/09/81/1073230981.db2.gz LCCCTKHAIZRHOX-UHFFFAOYSA-N 1 2 385.515 -0.305 20 0 GBADLO CN(C)S(=O)(=O)N1CC2(CN(C(=O)c3nc4c(s3)C[N@H+](C)CC4)C2)C1 ZINC001270977738 1073230973 /nfs/dbraw/zinc/23/09/73/1073230973.db2.gz LCCCTKHAIZRHOX-UHFFFAOYSA-N 1 2 385.515 -0.305 20 0 GBADLO CN(C)S(=O)(=O)N1CCC12CN(C(=O)c1nc3c(s1)C[N@@H+](C)CC3)C2 ZINC001270978084 1073232026 /nfs/dbraw/zinc/23/20/26/1073232026.db2.gz OPQLQRTYRJWLSU-UHFFFAOYSA-N 1 2 385.515 -0.162 20 0 GBADLO CN(C)S(=O)(=O)N1CCC12CN(C(=O)c1nc3c(s1)C[N@H+](C)CC3)C2 ZINC001270978084 1073232020 /nfs/dbraw/zinc/23/20/20/1073232020.db2.gz OPQLQRTYRJWLSU-UHFFFAOYSA-N 1 2 385.515 -0.162 20 0 GBADLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@H]2C(N)=O)c1 ZINC001271043073 1073267320 /nfs/dbraw/zinc/26/73/20/1073267320.db2.gz ZHHAFKVCOJUXDU-CHWSQXEVSA-N 1 2 377.426 -0.591 20 0 GBADLO C[N@H+]1CCc2nc(C(=O)N3CC4(C3)COCC(=O)N4C3COC3)sc2C1 ZINC001271096699 1073285060 /nfs/dbraw/zinc/28/50/60/1073285060.db2.gz IGVWVNNVTJDWQX-UHFFFAOYSA-N 1 2 378.454 -0.417 20 0 GBADLO C[N@@H+]1CCc2nc(C(=O)N3CC4(C3)COCC(=O)N4C3COC3)sc2C1 ZINC001271096699 1073285057 /nfs/dbraw/zinc/28/50/57/1073285057.db2.gz IGVWVNNVTJDWQX-UHFFFAOYSA-N 1 2 378.454 -0.417 20 0 GBADLO C[N@H+]1CCc2nc(C(=O)N3CC4(C3)CN(C3COC3)C(=O)CO4)sc2C1 ZINC001271097071 1073285182 /nfs/dbraw/zinc/28/51/82/1073285182.db2.gz MXIREMYSFXRMDW-UHFFFAOYSA-N 1 2 378.454 -0.417 20 0 GBADLO C[N@@H+]1CCc2nc(C(=O)N3CC4(C3)CN(C3COC3)C(=O)CO4)sc2C1 ZINC001271097071 1073285177 /nfs/dbraw/zinc/28/51/77/1073285177.db2.gz MXIREMYSFXRMDW-UHFFFAOYSA-N 1 2 378.454 -0.417 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001271144265 1073310307 /nfs/dbraw/zinc/31/03/07/1073310307.db2.gz XXESUOWWWNKADH-AWEZNQCLSA-N 1 2 387.502 -0.655 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001271144265 1073310303 /nfs/dbraw/zinc/31/03/03/1073310303.db2.gz XXESUOWWWNKADH-AWEZNQCLSA-N 1 2 387.502 -0.655 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001271144266 1073310151 /nfs/dbraw/zinc/31/01/51/1073310151.db2.gz XXESUOWWWNKADH-CQSZACIVSA-N 1 2 387.502 -0.655 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001271144266 1073310141 /nfs/dbraw/zinc/31/01/41/1073310141.db2.gz XXESUOWWWNKADH-CQSZACIVSA-N 1 2 387.502 -0.655 20 0 GBADLO O=C(NC[C@@]1(O)CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001271168078 1073343029 /nfs/dbraw/zinc/34/30/29/1073343029.db2.gz ULEYKWZFFAERQT-HOERASLDSA-N 1 2 399.451 -0.501 20 0 GBADLO O=C(NC[C@@]1(O)CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001271168078 1073343022 /nfs/dbraw/zinc/34/30/22/1073343022.db2.gz ULEYKWZFFAERQT-HOERASLDSA-N 1 2 399.451 -0.501 20 0 GBADLO O=C(NC[C@]1(O)CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001271168079 1073342792 /nfs/dbraw/zinc/34/27/92/1073342792.db2.gz ULEYKWZFFAERQT-YQXNLMQOSA-N 1 2 399.451 -0.501 20 0 GBADLO O=C(NC[C@]1(O)CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001271168079 1073342787 /nfs/dbraw/zinc/34/27/87/1073342787.db2.gz ULEYKWZFFAERQT-YQXNLMQOSA-N 1 2 399.451 -0.501 20 0 GBADLO CCS(=O)(=O)CCN1C[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)OCC1=O ZINC001271174059 1073378275 /nfs/dbraw/zinc/37/82/75/1073378275.db2.gz IAFODNKPOFLGIB-INIZCTEOSA-N 1 2 384.458 -0.783 20 0 GBADLO CCS(=O)(=O)CCN1C[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)OCC1=O ZINC001271174072 1073378203 /nfs/dbraw/zinc/37/82/03/1073378203.db2.gz IAFODNKPOFLGIB-MRXNPFEDSA-N 1 2 384.458 -0.783 20 0 GBADLO CCS(=O)(=O)CCN1C[C@@]2(F)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(F)C1=O ZINC001271174616 1073378765 /nfs/dbraw/zinc/37/87/65/1073378765.db2.gz MZTVUUJVCZFRPU-HUUCEWRRSA-N 1 2 390.412 -0.512 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001271197477 1073405651 /nfs/dbraw/zinc/40/56/51/1073405651.db2.gz FKMOYLVLCUYXLE-UHFFFAOYSA-N 1 2 384.458 -0.852 20 0 GBADLO CCS(=O)(=O)CCN1CC2(CN(C(=O)CCn3cc[nH+]c3)C2)OCC1=O ZINC001271198590 1073406872 /nfs/dbraw/zinc/40/68/72/1073406872.db2.gz OWBZIGUJHZVEPR-UHFFFAOYSA-N 1 2 384.458 -0.852 20 0 GBADLO Cn1c[nH+]c([C@@H]2CN(C(=O)c3csnn3)C[C@H]2C(=O)NCC2COC2)c1 ZINC001271232108 1073413000 /nfs/dbraw/zinc/41/30/00/1073413000.db2.gz JCFWKDDUNJMLRI-VXGBXAGGSA-N 1 2 376.442 -0.110 20 0 GBADLO CN(C(=O)[C@]12C[C@H]1CCN2C(=O)C[NH+](CCO)CCO)C1CC(F)(F)C1 ZINC001271265982 1073421291 /nfs/dbraw/zinc/42/12/91/1073421291.db2.gz BDTFTWFMRAXVDF-PXAZEXFGSA-N 1 2 375.416 -0.480 20 0 GBADLO CN(C(=O)[C@@]12C[C@@H]1CCN2C(=O)C[NH+](CCO)CCO)C1CC(F)(F)C1 ZINC001271265989 1073421306 /nfs/dbraw/zinc/42/13/06/1073421306.db2.gz BDTFTWFMRAXVDF-YVEFUNNKSA-N 1 2 375.416 -0.480 20 0 GBADLO O=C(NCC1(O)C[NH+](C[C@@H](O)COC2CCOCC2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001271319753 1073435848 /nfs/dbraw/zinc/43/58/48/1073435848.db2.gz QOVAAPXJKXDCNO-YGTFVGLLSA-N 1 2 396.484 -0.871 20 0 GBADLO O=C(NCC1(O)C[NH+](C[C@H](O)COC2CCOCC2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001271319754 1073435455 /nfs/dbraw/zinc/43/54/55/1073435455.db2.gz QOVAAPXJKXDCNO-ZIVXASGVSA-N 1 2 396.484 -0.871 20 0 GBADLO C[NH+](C)C1CCN(C(=O)C23CC(NC(=O)CCCS(N)(=O)=O)(C2)C3)CC1 ZINC001271349775 1073446701 /nfs/dbraw/zinc/44/67/01/1073446701.db2.gz YFLKFOMDATTZFD-UHFFFAOYSA-N 1 2 386.518 -0.353 20 0 GBADLO CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)CCCS(N)(=O)=O)(C1)C2 ZINC001271350019 1073446877 /nfs/dbraw/zinc/44/68/77/1073446877.db2.gz ZQXALJUFTPBWFZ-UHFFFAOYSA-N 1 2 388.534 -0.106 20 0 GBADLO CN(C)C(=O)C1CC[NH+](C2CCN(C(=O)CCCS(N)(=O)=O)CC2)CC1 ZINC001271350038 1073446501 /nfs/dbraw/zinc/44/65/01/1073446501.db2.gz ZWVUBOGCCPFRBD-UHFFFAOYSA-N 1 2 388.534 -0.154 20 0 GBADLO CCS(=O)(=O)CCN1CC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)OCC1=O ZINC001271366959 1073450734 /nfs/dbraw/zinc/45/07/34/1073450734.db2.gz JFHCEHCELBVWES-UHFFFAOYSA-N 1 2 384.458 -0.783 20 0 GBADLO CCS(=O)(=O)CCN1CC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)OCC1=O ZINC001271366959 1073450729 /nfs/dbraw/zinc/45/07/29/1073450729.db2.gz JFHCEHCELBVWES-UHFFFAOYSA-N 1 2 384.458 -0.783 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001271367331 1073450964 /nfs/dbraw/zinc/45/09/64/1073450964.db2.gz WFMQAXSSEJAWFJ-UHFFFAOYSA-N 1 2 384.458 -0.783 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001271367331 1073450963 /nfs/dbraw/zinc/45/09/63/1073450963.db2.gz WFMQAXSSEJAWFJ-UHFFFAOYSA-N 1 2 384.458 -0.783 20 0 GBADLO CN(C)S(=O)(=O)N1CC2(CN(C(=O)c3cc4n(n3)CCC[N@@H+](C)C4)C2)C1 ZINC001271515350 1073500196 /nfs/dbraw/zinc/50/01/96/1073500196.db2.gz MNNWAECBVLTANK-UHFFFAOYSA-N 1 2 382.490 -0.717 20 0 GBADLO CN(C)S(=O)(=O)N1CC2(CN(C(=O)c3cc4n(n3)CCC[N@H+](C)C4)C2)C1 ZINC001271515350 1073500181 /nfs/dbraw/zinc/50/01/81/1073500181.db2.gz MNNWAECBVLTANK-UHFFFAOYSA-N 1 2 382.490 -0.717 20 0 GBADLO CN(C)S(=O)(=O)N1CCC12CN(C(=O)c1cc3n(n1)CCC[N@@H+](C)C3)C2 ZINC001271515380 1073500749 /nfs/dbraw/zinc/50/07/49/1073500749.db2.gz NJSIGZNPUMLSDI-UHFFFAOYSA-N 1 2 382.490 -0.575 20 0 GBADLO CN(C)S(=O)(=O)N1CCC12CN(C(=O)c1cc3n(n1)CCC[N@H+](C)C3)C2 ZINC001271515380 1073500744 /nfs/dbraw/zinc/50/07/44/1073500744.db2.gz NJSIGZNPUMLSDI-UHFFFAOYSA-N 1 2 382.490 -0.575 20 0 GBADLO Cn1cnc(S(=O)(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)c1 ZINC001271562101 1073502207 /nfs/dbraw/zinc/50/22/07/1073502207.db2.gz NBDHJRGMOVWFPF-GXTWGEPZSA-N 1 2 378.458 -0.003 20 0 GBADLO Cn1cnc(S(=O)(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)c1 ZINC001271562101 1073502200 /nfs/dbraw/zinc/50/22/00/1073502200.db2.gz NBDHJRGMOVWFPF-GXTWGEPZSA-N 1 2 378.458 -0.003 20 0 GBADLO CN(C)S(=O)(=O)N1CCO[C@]2(CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001271562232 1073502332 /nfs/dbraw/zinc/50/23/32/1073502332.db2.gz OVJBQSXUYKFIIR-INIZCTEOSA-N 1 2 385.490 -0.158 20 0 GBADLO CN(C)S(=O)(=O)N1CCO[C@]2(CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001271562232 1073502321 /nfs/dbraw/zinc/50/23/21/1073502321.db2.gz OVJBQSXUYKFIIR-INIZCTEOSA-N 1 2 385.490 -0.158 20 0 GBADLO CN(C)S(=O)(=O)N1CCO[C@@]2(CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001271562234 1073502668 /nfs/dbraw/zinc/50/26/68/1073502668.db2.gz OVJBQSXUYKFIIR-MRXNPFEDSA-N 1 2 385.490 -0.158 20 0 GBADLO CN(C)S(=O)(=O)N1CCO[C@@]2(CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001271562234 1073502661 /nfs/dbraw/zinc/50/26/61/1073502661.db2.gz OVJBQSXUYKFIIR-MRXNPFEDSA-N 1 2 385.490 -0.158 20 0 GBADLO Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N(C(=O)CCc2c[nH+]c[nH]2)C3)c1 ZINC001271562422 1073503237 /nfs/dbraw/zinc/50/32/37/1073503237.db2.gz RZWHQPMEHZXYCE-OCCSQVGLSA-N 1 2 378.458 -0.003 20 0 GBADLO Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N(C(=O)CCc2c[nH]c[nH+]2)C3)c1 ZINC001271562422 1073503227 /nfs/dbraw/zinc/50/32/27/1073503227.db2.gz RZWHQPMEHZXYCE-OCCSQVGLSA-N 1 2 378.458 -0.003 20 0 GBADLO Cn1cnc(S(=O)(=O)N2CCC3(CN(C(=O)CCc4c[nH+]c[nH]4)C3)C2)c1 ZINC001271562823 1073503138 /nfs/dbraw/zinc/50/31/38/1073503138.db2.gz ZGJHSGXBMBRSIN-UHFFFAOYSA-N 1 2 378.458 -0.001 20 0 GBADLO Cn1cnc(S(=O)(=O)N2CCC3(CN(C(=O)CCc4c[nH]c[nH+]4)C3)C2)c1 ZINC001271562823 1073503130 /nfs/dbraw/zinc/50/31/30/1073503130.db2.gz ZGJHSGXBMBRSIN-UHFFFAOYSA-N 1 2 378.458 -0.001 20 0 GBADLO O=C(Cn1cc(Cl)cn1)N1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001271682697 1073508222 /nfs/dbraw/zinc/50/82/22/1073508222.db2.gz FOGKSJHYMNUUOL-OKILXGFUSA-N 1 2 378.820 -0.129 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cc(Cl)cn1 ZINC001271683297 1073508306 /nfs/dbraw/zinc/50/83/06/1073508306.db2.gz MKYBTYLYMATSEH-OKILXGFUSA-N 1 2 378.820 -0.129 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2OCCN(C(=O)Cn3cc(Cl)cn3)[C@H]2C1 ZINC001271684322 1073508379 /nfs/dbraw/zinc/50/83/79/1073508379.db2.gz XEUCDEZFIGRYGZ-KBPBESRZSA-N 1 2 378.820 -0.129 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2[C@H](C1)OCCN2C(=O)Cn1cc(Cl)cn1 ZINC001271684324 1073507762 /nfs/dbraw/zinc/50/77/62/1073507762.db2.gz XEUCDEZFIGRYGZ-KGLIPLIRSA-N 1 2 378.820 -0.129 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@H](C1)O2 ZINC001271684503 1073507894 /nfs/dbraw/zinc/50/78/94/1073507894.db2.gz YLUQCXUDHSEJKL-OKILXGFUSA-N 1 2 378.820 -0.129 20 0 GBADLO Cn1cnc(S(=O)(=O)N2CC3(C2)CCCN(C(=O)Cn2cc[nH+]c2)C3)c1 ZINC001271686876 1073508007 /nfs/dbraw/zinc/50/80/07/1073508007.db2.gz CCCPEWIOAITJHA-UHFFFAOYSA-N 1 2 378.458 -0.070 20 0 GBADLO Cn1cnc(S(=O)(=O)N2CC3(C2)CCN(C(=O)Cn2cc[nH+]c2)CC3)c1 ZINC001271687322 1073509154 /nfs/dbraw/zinc/50/91/54/1073509154.db2.gz FYOVOVIJDBEXMX-UHFFFAOYSA-N 1 2 378.458 -0.070 20 0 GBADLO CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001271797164 1073570197 /nfs/dbraw/zinc/57/01/97/1073570197.db2.gz MBSVWZCRTWKQDR-SJKOYZFVSA-N 1 2 376.438 -0.043 20 0 GBADLO CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001271798622 1073570408 /nfs/dbraw/zinc/57/04/08/1073570408.db2.gz STFLQENPRIMFRU-GFCCVEGCSA-N 1 2 376.438 -0.043 20 0 GBADLO CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001271798624 1073570328 /nfs/dbraw/zinc/57/03/28/1073570328.db2.gz STFLQENPRIMFRU-LBPRGKRZSA-N 1 2 376.438 -0.043 20 0 GBADLO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)CN(C)c3cccc[nH+]3)C[C@@H]21 ZINC001271874682 1073630182 /nfs/dbraw/zinc/63/01/82/1073630182.db2.gz BOVHTZNWYBILDM-KBPBESRZSA-N 1 2 383.474 -0.764 20 0 GBADLO CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)CN(C)c3cccc[nH+]3)C[C@H]21 ZINC001271874683 1073630161 /nfs/dbraw/zinc/63/01/61/1073630161.db2.gz BOVHTZNWYBILDM-KGLIPLIRSA-N 1 2 383.474 -0.764 20 0 GBADLO CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1CN(C(=O)CN(C)c1cccc[nH+]1)C2 ZINC001271874881 1073630048 /nfs/dbraw/zinc/63/00/48/1073630048.db2.gz NIMACJAGJWZXAF-OKILXGFUSA-N 1 2 383.474 -0.764 20 0 GBADLO CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)CN(C)c3cccc[nH+]3)C[C@@H](C1)O2 ZINC001271874915 1073630495 /nfs/dbraw/zinc/63/04/95/1073630495.db2.gz OWLKGUJULOAZCK-OKILXGFUSA-N 1 2 383.474 -0.764 20 0 GBADLO CS(=O)(=O)CCNC(=O)c1noc2c1CN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001272021110 1073843326 /nfs/dbraw/zinc/84/33/26/1073843326.db2.gz AMSFDQSRCSKSMY-UHFFFAOYSA-N 1 2 381.414 -0.770 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1CC2(C1)SCC[C@@H]2C(=O)NCCn1ccnn1 ZINC001272021217 1073844932 /nfs/dbraw/zinc/84/49/32/1073844932.db2.gz BINKZGIWVYMYEF-CYBMUJFWSA-N 1 2 375.458 -0.375 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1CC2(C1)SCC[C@H]2C(=O)NCCn1ccnn1 ZINC001272021219 1073843597 /nfs/dbraw/zinc/84/35/97/1073843597.db2.gz BINKZGIWVYMYEF-ZDUSSCGKSA-N 1 2 375.458 -0.375 20 0 GBADLO CS(=O)(=O)CCNC(=O)c1cc2c([nH]1)CN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001272021486 1073844670 /nfs/dbraw/zinc/84/46/70/1073844670.db2.gz DVICKZIWGPCUFJ-UHFFFAOYSA-N 1 2 379.442 -0.430 20 0 GBADLO CS(=O)(=O)CCNC(=O)C[C@H]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2O1 ZINC001272021647 1073846314 /nfs/dbraw/zinc/84/63/14/1073846314.db2.gz GIJXRTYAIRWTDF-MCIONIFRSA-N 1 2 384.458 -0.950 20 0 GBADLO CS(=O)(=O)CCNC(=O)C[C@@H]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2O1 ZINC001272021648 1073845955 /nfs/dbraw/zinc/84/59/55/1073845955.db2.gz GIJXRTYAIRWTDF-RDBSUJKOSA-N 1 2 384.458 -0.950 20 0 GBADLO CS(=O)(=O)CCNC(=O)[C@H]1CCSC12CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001272021919 1073846767 /nfs/dbraw/zinc/84/67/67/1073846767.db2.gz KWLYJAUTFDXUHN-GFCCVEGCSA-N 1 2 386.499 -0.622 20 0 GBADLO CS(=O)(=O)CCNC(=O)[C@@H]1CCSC12CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001272021921 1073847018 /nfs/dbraw/zinc/84/70/18/1073847018.db2.gz KWLYJAUTFDXUHN-LBPRGKRZSA-N 1 2 386.499 -0.622 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001272022103 1073849668 /nfs/dbraw/zinc/84/96/68/1073849668.db2.gz MNGLURMEHVQFSE-KFWWJZLASA-N 1 2 387.502 -0.656 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001272022103 1073849663 /nfs/dbraw/zinc/84/96/63/1073849663.db2.gz MNGLURMEHVQFSE-KFWWJZLASA-N 1 2 387.502 -0.656 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001272022104 1073850017 /nfs/dbraw/zinc/85/00/17/1073850017.db2.gz MNGLURMEHVQFSE-RBSFLKMASA-N 1 2 387.502 -0.656 20 0 GBADLO CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001272022104 1073850006 /nfs/dbraw/zinc/85/00/06/1073850006.db2.gz MNGLURMEHVQFSE-RBSFLKMASA-N 1 2 387.502 -0.656 20 0 GBADLO CCS(=O)(=O)CCN1CC[C@@]2(CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001272022366 1073851769 /nfs/dbraw/zinc/85/17/69/1073851769.db2.gz QRBUMRJQHLVVEY-PBHICJAKSA-N 1 2 387.502 -0.655 20 0 GBADLO CCS(=O)(=O)CCN1CC[C@@]2(CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001272022366 1073851754 /nfs/dbraw/zinc/85/17/54/1073851754.db2.gz QRBUMRJQHLVVEY-PBHICJAKSA-N 1 2 387.502 -0.655 20 0 GBADLO CCS(=O)(=O)CCN1CC[C@]2(CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001272022368 1073851520 /nfs/dbraw/zinc/85/15/20/1073851520.db2.gz QRBUMRJQHLVVEY-RHSMWYFYSA-N 1 2 387.502 -0.655 20 0 GBADLO CCS(=O)(=O)CCN1CC[C@]2(CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001272022368 1073851507 /nfs/dbraw/zinc/85/15/07/1073851507.db2.gz QRBUMRJQHLVVEY-RHSMWYFYSA-N 1 2 387.502 -0.655 20 0 GBADLO CCS(=O)(=O)CCN1CC[C@]2(CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001272022370 1073851231 /nfs/dbraw/zinc/85/12/31/1073851231.db2.gz QRBUMRJQHLVVEY-WMLDXEAASA-N 1 2 387.502 -0.655 20 0 GBADLO CCS(=O)(=O)CCN1CC[C@]2(CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001272022370 1073851217 /nfs/dbraw/zinc/85/12/17/1073851217.db2.gz QRBUMRJQHLVVEY-WMLDXEAASA-N 1 2 387.502 -0.655 20 0 GBADLO CCS(=O)(=O)CCN1CC[C@@]2(CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001272022371 1073851435 /nfs/dbraw/zinc/85/14/35/1073851435.db2.gz QRBUMRJQHLVVEY-YOEHRIQHSA-N 1 2 387.502 -0.655 20 0 GBADLO CCS(=O)(=O)CCN1CC[C@@]2(CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001272022371 1073851416 /nfs/dbraw/zinc/85/14/16/1073851416.db2.gz QRBUMRJQHLVVEY-YOEHRIQHSA-N 1 2 387.502 -0.655 20 0 GBADLO C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001272070719 1073928654 /nfs/dbraw/zinc/92/86/54/1073928654.db2.gz OZJJAYFWHFHTJP-SECBINFHSA-N 1 2 375.458 -0.092 20 0 GBADLO C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001272070719 1073928651 /nfs/dbraw/zinc/92/86/51/1073928651.db2.gz OZJJAYFWHFHTJP-SECBINFHSA-N 1 2 375.458 -0.092 20 0 GBADLO C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001272070722 1073928480 /nfs/dbraw/zinc/92/84/80/1073928480.db2.gz OZJJAYFWHFHTJP-VIFPVBQESA-N 1 2 375.458 -0.092 20 0 GBADLO C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001272070722 1073928472 /nfs/dbraw/zinc/92/84/72/1073928472.db2.gz OZJJAYFWHFHTJP-VIFPVBQESA-N 1 2 375.458 -0.092 20 0 GBADLO O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCCN(S(=O)(=O)C(F)F)C2 ZINC001279211416 1072130772 /nfs/dbraw/zinc/13/07/72/1072130772.db2.gz VGYDTMLYTCDTAE-AWEZNQCLSA-N 1 2 378.401 -0.014 20 0 GBADLO O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCCN(S(=O)(=O)C(F)F)C2 ZINC001279211417 1072131147 /nfs/dbraw/zinc/13/11/47/1072131147.db2.gz VGYDTMLYTCDTAE-CQSZACIVSA-N 1 2 378.401 -0.014 20 0 GBADLO COCCS(=O)(=O)N1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001279212064 1072201587 /nfs/dbraw/zinc/20/15/87/1072201587.db2.gz XMEQRLULFWKKID-INIZCTEOSA-N 1 2 386.474 -0.590 20 0 GBADLO COCCS(=O)(=O)N1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001279212065 1072201602 /nfs/dbraw/zinc/20/16/02/1072201602.db2.gz XMEQRLULFWKKID-MRXNPFEDSA-N 1 2 386.474 -0.590 20 0 GBADLO CN(C)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1nc(Br)cnc1N ZINC001279247366 1073447657 /nfs/dbraw/zinc/44/76/57/1073447657.db2.gz ZXXFSTQQYQTDFL-PHIMTYICSA-N 1 2 399.293 -0.206 20 0 GBADLO CN(C)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1nc(Br)cnc1N ZINC001279247366 1073447652 /nfs/dbraw/zinc/44/76/52/1073447652.db2.gz ZXXFSTQQYQTDFL-PHIMTYICSA-N 1 2 399.293 -0.206 20 0 GBADLO Cn1cnc(S(=O)(=O)N2CC3(C2)CC[NH+](CCS(C)(=O)=O)CC3)c1 ZINC001280058877 1072619547 /nfs/dbraw/zinc/61/95/47/1072619547.db2.gz RMLIXCYPPAMLIP-UHFFFAOYSA-N 1 2 376.504 -0.449 20 0 GBADLO CCS(=O)(=O)CC[NH+]1CCC2(CN(S(=O)(=O)c3cn(C)cn3)C2)CC1 ZINC001280073026 1072635280 /nfs/dbraw/zinc/63/52/80/1072635280.db2.gz VLOBWNCJSVQGQJ-UHFFFAOYSA-N 1 2 390.531 -0.059 20 0 GBADLO CN(C(=O)C1(C(=O)[O-])CCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001330606176 969717018 /nfs/dbraw/zinc/71/70/18/969717018.db2.gz LTWVEUYMWZRMCP-UHFFFAOYSA-N 1 2 380.489 -0.062 20 0 GBADLO CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCN(CC(=O)[O-])C3=O)CC2)CC1 ZINC001333622968 957782350 /nfs/dbraw/zinc/78/23/50/957782350.db2.gz UOICYWGVUCQHNZ-INIZCTEOSA-N 1 2 380.489 -0.062 20 0 GBADLO CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)CC1 ZINC001333622969 957781950 /nfs/dbraw/zinc/78/19/50/957781950.db2.gz UOICYWGVUCQHNZ-MRXNPFEDSA-N 1 2 380.489 -0.062 20 0 GBADLO CN(C(=O)[C@@H](C(=O)[O-])C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001347171304 969765330 /nfs/dbraw/zinc/76/53/30/969765330.db2.gz RPVQQWKSFIXRCI-KRWDZBQOSA-N 1 2 380.489 -0.206 20 0 GBADLO CN(C(=O)[C@H](C(=O)[O-])C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001347171305 969765563 /nfs/dbraw/zinc/76/55/63/969765563.db2.gz RPVQQWKSFIXRCI-QGZVFWFLSA-N 1 2 380.489 -0.206 20 0 GBADLO CN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001351982510 962624417 /nfs/dbraw/zinc/62/44/17/962624417.db2.gz HLLQECSQJAAJFS-GOEBONIOSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001351982510 962624407 /nfs/dbraw/zinc/62/44/07/962624407.db2.gz HLLQECSQJAAJFS-GOEBONIOSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001351982511 962623378 /nfs/dbraw/zinc/62/33/78/962623378.db2.gz HLLQECSQJAAJFS-HOCLYGCPSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001351982511 962623361 /nfs/dbraw/zinc/62/33/61/962623361.db2.gz HLLQECSQJAAJFS-HOCLYGCPSA-N 1 2 380.489 -0.064 20 0 GBADLO C[N@@H+](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)CC(=O)NCC(=O)N1CCCC1 ZINC001480892004 1072201994 /nfs/dbraw/zinc/20/19/94/1072201994.db2.gz HAYFIOGUAJZSAE-RLFYNMQTSA-N 1 2 380.489 -0.412 20 0 GBADLO C[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)CC(=O)NCC(=O)N1CCCC1 ZINC001480892004 1072201986 /nfs/dbraw/zinc/20/19/86/1072201986.db2.gz HAYFIOGUAJZSAE-RLFYNMQTSA-N 1 2 380.489 -0.412 20 0 GBADLO C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)N1CCC(C(N)=O)CC1 ZINC001480892736 1072202732 /nfs/dbraw/zinc/20/27/32/1072202732.db2.gz RVQNTJFWJNGLLT-NMNMXBMNSA-N 1 2 378.473 -0.818 20 0 GBADLO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)N1CCC(C(N)=O)CC1 ZINC001480892736 1072202724 /nfs/dbraw/zinc/20/27/24/1072202724.db2.gz RVQNTJFWJNGLLT-NMNMXBMNSA-N 1 2 378.473 -0.818 20 0 GBADLO C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001480892956 1072203528 /nfs/dbraw/zinc/20/35/28/1072203528.db2.gz UNAOGHOEODTWAO-HLUFSKSISA-N 1 2 378.473 -0.818 20 0 GBADLO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001480892956 1072203524 /nfs/dbraw/zinc/20/35/24/1072203524.db2.gz UNAOGHOEODTWAO-HLUFSKSISA-N 1 2 378.473 -0.818 20 0 GBADLO C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001480892960 1072203643 /nfs/dbraw/zinc/20/36/43/1072203643.db2.gz UNAOGHOEODTWAO-UZVBGSJOSA-N 1 2 378.473 -0.818 20 0 GBADLO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001480892960 1072203638 /nfs/dbraw/zinc/20/36/38/1072203638.db2.gz UNAOGHOEODTWAO-UZVBGSJOSA-N 1 2 378.473 -0.818 20 0 GBADLO Cc1cc(NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n(C)n1 ZINC001480894201 1072206426 /nfs/dbraw/zinc/20/64/26/1072206426.db2.gz PTZLHUBYCLNBEY-GRDNDAEWSA-N 1 2 379.461 -0.233 20 0 GBADLO Cc1cc(NC(=O)C[N@H+](C)CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n(C)n1 ZINC001480894201 1072206417 /nfs/dbraw/zinc/20/64/17/1072206417.db2.gz PTZLHUBYCLNBEY-GRDNDAEWSA-N 1 2 379.461 -0.233 20 0 GBADLO CC[N@@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)N[C@H](C)C(=O)N(C)C ZINC001480988900 1072948775 /nfs/dbraw/zinc/94/87/75/1072948775.db2.gz WZCKPJVIYWVXLG-HLUFSKSISA-N 1 2 380.489 -0.559 20 0 GBADLO CC[N@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)N[C@H](C)C(=O)N(C)C ZINC001480988900 1072948773 /nfs/dbraw/zinc/94/87/73/1072948773.db2.gz WZCKPJVIYWVXLG-HLUFSKSISA-N 1 2 380.489 -0.559 20 0 GBADLO CC[N@@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001480988901 1072948325 /nfs/dbraw/zinc/94/83/25/1072948325.db2.gz WZCKPJVIYWVXLG-UZVBGSJOSA-N 1 2 380.489 -0.559 20 0 GBADLO CC[N@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001480988901 1072948312 /nfs/dbraw/zinc/94/83/12/1072948312.db2.gz WZCKPJVIYWVXLG-UZVBGSJOSA-N 1 2 380.489 -0.559 20 0 GBADLO O=C(C[N@@H+](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1)N1CCNC(=O)C1 ZINC001481176870 1073144897 /nfs/dbraw/zinc/14/48/97/1073144897.db2.gz NVEGDRKLEFSWAD-DHSIGJKJSA-N 1 2 378.473 -0.660 20 0 GBADLO O=C(C[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1)N1CCNC(=O)C1 ZINC001481176870 1073144895 /nfs/dbraw/zinc/14/48/95/1073144895.db2.gz NVEGDRKLEFSWAD-DHSIGJKJSA-N 1 2 378.473 -0.660 20 0 GBADLO CN(CC[NH+]1CCN(CCN2CCNC2=O)CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001481470669 1073551946 /nfs/dbraw/zinc/55/19/46/1073551946.db2.gz HICSIMHBXPPPOV-ZACQAIPSSA-N 1 2 379.505 -0.345 20 0 GBADLO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001481646408 1073682821 /nfs/dbraw/zinc/68/28/21/1073682821.db2.gz IREVUJWPYYAGDB-ZACQAIPSSA-N 1 2 375.473 -0.006 20 0 GBADLO CN(CC[N@@H+](C)CC(=O)NCC(=O)N1CCCC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001482629327 1073951117 /nfs/dbraw/zinc/95/11/17/1073951117.db2.gz DWILZYUVWPFFNE-OAGGEKHMSA-N 1 2 380.489 -0.317 20 0 GBADLO CN(CC[N@H+](C)CC(=O)NCC(=O)N1CCCC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001482629327 1073951112 /nfs/dbraw/zinc/95/11/12/1073951112.db2.gz DWILZYUVWPFFNE-OAGGEKHMSA-N 1 2 380.489 -0.317 20 0 GBADLO COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(CC(=O)NC2CC[NH+](C)CC2)c1 ZINC001571115045 952462618 /nfs/dbraw/zinc/46/26/18/952462618.db2.gz QPKJDBRVZHGHCZ-UHFFFAOYSA-N 1 2 375.389 -0.975 20 0 GBADLO Cc1onc(CC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)c1-c1nn[nH]n1 ZINC001571115592 952469226 /nfs/dbraw/zinc/46/92/26/952469226.db2.gz YSJSPSYFDRDNTM-GFCCVEGCSA-N 1 2 375.389 -0.398 20 0 GBADLO Cc1onc(CC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1-c1nn[nH]n1 ZINC001571115601 952469432 /nfs/dbraw/zinc/46/94/32/952469432.db2.gz YSJSPSYFDRDNTM-LBPRGKRZSA-N 1 2 375.389 -0.398 20 0 GBADLO O=C(Cc1ccon1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001571117349 952481145 /nfs/dbraw/zinc/48/11/45/952481145.db2.gz JUEVJYLMUFIUGZ-VXGBXAGGSA-N 1 2 375.414 -0.180 20 0 GBADLO O=C(Cc1ccon1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001571117349 952481143 /nfs/dbraw/zinc/48/11/43/952481143.db2.gz JUEVJYLMUFIUGZ-VXGBXAGGSA-N 1 2 375.414 -0.180 20 0 GBADLO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCO[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001571118309 952486722 /nfs/dbraw/zinc/48/67/22/952486722.db2.gz VIRMXTBETXEXKW-LLVKDONJSA-N 1 2 375.418 -0.323 20 0 GBADLO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCO[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001571118311 952487297 /nfs/dbraw/zinc/48/72/97/952487297.db2.gz VIRMXTBETXEXKW-NSHDSACASA-N 1 2 375.418 -0.323 20 0 GBADLO CC1(C)CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC(C)(C)[NH2+]1 ZINC001571119358 952489717 /nfs/dbraw/zinc/48/97/17/952489717.db2.gz ACDANQMIVMPTPY-UHFFFAOYSA-N 1 2 376.421 -0.492 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571119365 952491451 /nfs/dbraw/zinc/49/14/51/952491451.db2.gz AGLDVIHOKBFBBH-AAEUAGOBSA-N 1 2 376.396 -0.574 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571119365 952491449 /nfs/dbraw/zinc/49/14/49/952491449.db2.gz AGLDVIHOKBFBBH-AAEUAGOBSA-N 1 2 376.396 -0.574 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571119367 952490516 /nfs/dbraw/zinc/49/05/16/952490516.db2.gz AGLDVIHOKBFBBH-WCQYABFASA-N 1 2 376.396 -0.574 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571119367 952490514 /nfs/dbraw/zinc/49/05/14/952490514.db2.gz AGLDVIHOKBFBBH-WCQYABFASA-N 1 2 376.396 -0.574 20 0 GBADLO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571119440 952491300 /nfs/dbraw/zinc/49/13/00/952491300.db2.gz BLZHGNAVBWSTLP-GHMZBOCLSA-N 1 2 376.421 -0.492 20 0 GBADLO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571119442 952491174 /nfs/dbraw/zinc/49/11/74/952491174.db2.gz BLZHGNAVBWSTLP-MNOVXSKESA-N 1 2 376.421 -0.492 20 0 GBADLO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571119445 952491336 /nfs/dbraw/zinc/49/13/36/952491336.db2.gz BLZHGNAVBWSTLP-QWRGUYRKSA-N 1 2 376.421 -0.492 20 0 GBADLO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571119446 952490759 /nfs/dbraw/zinc/49/07/59/952490759.db2.gz BLZHGNAVBWSTLP-WDEREUQCSA-N 1 2 376.421 -0.492 20 0 GBADLO C[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C[NH+]1CCCC1 ZINC001571119573 952492178 /nfs/dbraw/zinc/49/21/78/952492178.db2.gz CTAPJIPMBZOCDC-LLVKDONJSA-N 1 2 376.421 -0.633 20 0 GBADLO C[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C[NH+]1CCCC1 ZINC001571119576 952492372 /nfs/dbraw/zinc/49/23/72/952492372.db2.gz CTAPJIPMBZOCDC-NSHDSACASA-N 1 2 376.421 -0.633 20 0 GBADLO CCC[NH+]1CCC(N(C)C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001571119612 952493644 /nfs/dbraw/zinc/49/36/44/952493644.db2.gz DMCDIOAQECPYRB-UHFFFAOYSA-N 1 2 376.421 -0.538 20 0 GBADLO Cn1c(=O)[nH]c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1=O ZINC001571119740 952494418 /nfs/dbraw/zinc/49/44/18/952494418.db2.gz FFZGHNIMHSIBBC-JTQLQIEISA-N 1 2 376.421 -0.421 20 0 GBADLO Cn1c(=O)[nH]c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1=O ZINC001571119743 952494112 /nfs/dbraw/zinc/49/41/12/952494112.db2.gz FFZGHNIMHSIBBC-SNVBAGLBSA-N 1 2 376.421 -0.421 20 0 GBADLO CCN(C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@@H]1CC[N@@H+](CC)C1 ZINC001571119760 952493892 /nfs/dbraw/zinc/49/38/92/952493892.db2.gz FLGUUEDQERTMJJ-LLVKDONJSA-N 1 2 376.421 -0.538 20 0 GBADLO CCN(C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@@H]1CC[N@H+](CC)C1 ZINC001571119760 952493886 /nfs/dbraw/zinc/49/38/86/952493886.db2.gz FLGUUEDQERTMJJ-LLVKDONJSA-N 1 2 376.421 -0.538 20 0 GBADLO CCN(C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@H]1CC[N@@H+](CC)C1 ZINC001571119761 952494479 /nfs/dbraw/zinc/49/44/79/952494479.db2.gz FLGUUEDQERTMJJ-NSHDSACASA-N 1 2 376.421 -0.538 20 0 GBADLO CCN(C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@H]1CC[N@H+](CC)C1 ZINC001571119761 952494475 /nfs/dbraw/zinc/49/44/75/952494475.db2.gz FLGUUEDQERTMJJ-NSHDSACASA-N 1 2 376.421 -0.538 20 0 GBADLO CC[NH+](CC)[C@@H]1CCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571119845 952495417 /nfs/dbraw/zinc/49/54/17/952495417.db2.gz GOKKGRSAZBJHCZ-LLVKDONJSA-N 1 2 376.421 -0.538 20 0 GBADLO CC[NH+](CC)[C@H]1CCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571119847 952495958 /nfs/dbraw/zinc/49/59/58/952495958.db2.gz GOKKGRSAZBJHCZ-NSHDSACASA-N 1 2 376.421 -0.538 20 0 GBADLO CN(CC1CC[NH+](C)CC1)C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571119869 952495899 /nfs/dbraw/zinc/49/58/99/952495899.db2.gz GXAWXXOYNJIGHS-UHFFFAOYSA-N 1 2 376.421 -0.681 20 0 GBADLO Cn1c(=O)[nH]c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1=O ZINC001571120019 952499247 /nfs/dbraw/zinc/49/92/47/952499247.db2.gz IFZHCMWAVKSYHA-LLVKDONJSA-N 1 2 376.421 -0.279 20 0 GBADLO Cn1c(=O)[nH]c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1=O ZINC001571120021 952498442 /nfs/dbraw/zinc/49/84/42/952498442.db2.gz IFZHCMWAVKSYHA-NSHDSACASA-N 1 2 376.421 -0.279 20 0 GBADLO C[N@@H+](CCNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001571120056 952499414 /nfs/dbraw/zinc/49/94/14/952499414.db2.gz ISASOAPITSTCFH-UHFFFAOYSA-N 1 2 376.421 -0.490 20 0 GBADLO C[N@H+](CCNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001571120056 952499404 /nfs/dbraw/zinc/49/94/04/952499404.db2.gz ISASOAPITSTCFH-UHFFFAOYSA-N 1 2 376.421 -0.490 20 0 GBADLO CC[N@@H+]1[C@H](C)CN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C[C@@H]1C ZINC001571120222 952502227 /nfs/dbraw/zinc/50/22/27/952502227.db2.gz LFZYUFDKXRAUJT-PHIMTYICSA-N 1 2 376.421 -0.540 20 0 GBADLO CC[N@H+]1[C@H](C)CN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C[C@@H]1C ZINC001571120222 952502223 /nfs/dbraw/zinc/50/22/23/952502223.db2.gz LFZYUFDKXRAUJT-PHIMTYICSA-N 1 2 376.421 -0.540 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@@H]1CCCO1 ZINC001571120223 952502681 /nfs/dbraw/zinc/50/26/81/952502681.db2.gz JRUOMMMPLLCDCK-KFWWJZLASA-N 1 2 376.392 -0.154 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@@H]1CCCO1 ZINC001571120223 952502675 /nfs/dbraw/zinc/50/26/75/952502675.db2.gz JRUOMMMPLLCDCK-KFWWJZLASA-N 1 2 376.392 -0.154 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@H]1CCCO1 ZINC001571120225 952502528 /nfs/dbraw/zinc/50/25/28/952502528.db2.gz JRUOMMMPLLCDCK-RBSFLKMASA-N 1 2 376.392 -0.154 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@H]1CCCO1 ZINC001571120225 952502523 /nfs/dbraw/zinc/50/25/23/952502523.db2.gz JRUOMMMPLLCDCK-RBSFLKMASA-N 1 2 376.392 -0.154 20 0 GBADLO C[NH+]1CCC(CCNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001571120390 952502369 /nfs/dbraw/zinc/50/23/69/952502369.db2.gz MAUSQMMQYSOSAN-UHFFFAOYSA-N 1 2 376.421 -0.633 20 0 GBADLO CC[NH+]1CCC(CNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001571120409 952504246 /nfs/dbraw/zinc/50/42/46/952504246.db2.gz MNGNUFQDPXWWTQ-UHFFFAOYSA-N 1 2 376.421 -0.633 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@@H]1CCCO1 ZINC001571120534 952505661 /nfs/dbraw/zinc/50/56/61/952505661.db2.gz NAKVHKCRPNHWHV-ILXRZTDVSA-N 1 2 376.392 -0.154 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@@H]1CCCO1 ZINC001571120534 952505654 /nfs/dbraw/zinc/50/56/54/952505654.db2.gz NAKVHKCRPNHWHV-ILXRZTDVSA-N 1 2 376.392 -0.154 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@H]1CCCO1 ZINC001571120535 952505504 /nfs/dbraw/zinc/50/55/04/952505504.db2.gz NAKVHKCRPNHWHV-QLFBSQMISA-N 1 2 376.392 -0.154 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@H]1CCCO1 ZINC001571120535 952505497 /nfs/dbraw/zinc/50/54/97/952505497.db2.gz NAKVHKCRPNHWHV-QLFBSQMISA-N 1 2 376.392 -0.154 20 0 GBADLO CCC[NH+]1CCC(NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001571120645 952504545 /nfs/dbraw/zinc/50/45/45/952504545.db2.gz OOHDRVCTTQWQOX-UHFFFAOYSA-N 1 2 376.421 -0.490 20 0 GBADLO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571120665 952507661 /nfs/dbraw/zinc/50/76/61/952507661.db2.gz PCMHWLUXXBFGSS-GHMZBOCLSA-N 1 2 376.421 -0.634 20 0 GBADLO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571120666 952507639 /nfs/dbraw/zinc/50/76/39/952507639.db2.gz PCMHWLUXXBFGSS-MNOVXSKESA-N 1 2 376.421 -0.634 20 0 GBADLO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571120667 952506308 /nfs/dbraw/zinc/50/63/08/952506308.db2.gz PCMHWLUXXBFGSS-QWRGUYRKSA-N 1 2 376.421 -0.634 20 0 GBADLO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571120668 952507586 /nfs/dbraw/zinc/50/75/86/952507586.db2.gz PCMHWLUXXBFGSS-WDEREUQCSA-N 1 2 376.421 -0.634 20 0 GBADLO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571120679 952507117 /nfs/dbraw/zinc/50/71/17/952507117.db2.gz PHVADUUPUOJIMD-LLVKDONJSA-N 1 2 376.421 -0.540 20 0 GBADLO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571120679 952507111 /nfs/dbraw/zinc/50/71/11/952507111.db2.gz PHVADUUPUOJIMD-LLVKDONJSA-N 1 2 376.421 -0.540 20 0 GBADLO CC(C)[N@H+]1CC[C@H](N(C)C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571120680 952507433 /nfs/dbraw/zinc/50/74/33/952507433.db2.gz PHVADUUPUOJIMD-NSHDSACASA-N 1 2 376.421 -0.540 20 0 GBADLO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571120680 952507426 /nfs/dbraw/zinc/50/74/26/952507426.db2.gz PHVADUUPUOJIMD-NSHDSACASA-N 1 2 376.421 -0.540 20 0 GBADLO Cc1onc(CC(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c1-c1nn[nH]n1 ZINC001571120924 952512177 /nfs/dbraw/zinc/51/21/77/952512177.db2.gz UEXLKTHTTQFQJY-UHFFFAOYSA-N 1 2 376.421 -0.672 20 0 GBADLO Cc1onc(CC(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1-c1nn[nH]n1 ZINC001571120924 952512171 /nfs/dbraw/zinc/51/21/71/952512171.db2.gz UEXLKTHTTQFQJY-UHFFFAOYSA-N 1 2 376.421 -0.672 20 0 GBADLO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571121186 952516748 /nfs/dbraw/zinc/51/67/48/952516748.db2.gz XEWJBGIJIMEGAI-JTQLQIEISA-N 1 2 376.421 -0.492 20 0 GBADLO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571121186 952516744 /nfs/dbraw/zinc/51/67/44/952516744.db2.gz XEWJBGIJIMEGAI-JTQLQIEISA-N 1 2 376.421 -0.492 20 0 GBADLO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571121188 952516810 /nfs/dbraw/zinc/51/68/10/952516810.db2.gz XEWJBGIJIMEGAI-SNVBAGLBSA-N 1 2 376.421 -0.492 20 0 GBADLO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571121188 952516807 /nfs/dbraw/zinc/51/68/07/952516807.db2.gz XEWJBGIJIMEGAI-SNVBAGLBSA-N 1 2 376.421 -0.492 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@@H]1CCOC1 ZINC001571121243 952517769 /nfs/dbraw/zinc/51/77/69/952517769.db2.gz ZDXFGJQKSKDAES-DFBGVHRSSA-N 1 2 376.392 -0.296 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@@H]1CCOC1 ZINC001571121243 952517767 /nfs/dbraw/zinc/51/77/67/952517767.db2.gz ZDXFGJQKSKDAES-DFBGVHRSSA-N 1 2 376.392 -0.296 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@H]1CCOC1 ZINC001571121244 952517508 /nfs/dbraw/zinc/51/75/08/952517508.db2.gz ZDXFGJQKSKDAES-GLQYFDAESA-N 1 2 376.392 -0.296 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@H]1CCOC1 ZINC001571121244 952517497 /nfs/dbraw/zinc/51/74/97/952517497.db2.gz ZDXFGJQKSKDAES-GLQYFDAESA-N 1 2 376.392 -0.296 20 0 GBADLO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)NC1=O ZINC001571121743 952522253 /nfs/dbraw/zinc/52/22/53/952522253.db2.gz CRMLAHKNCHHBRH-GXSJLCMTSA-N 1 2 376.446 -0.358 20 0 GBADLO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)NC1=O ZINC001571121743 952522244 /nfs/dbraw/zinc/52/22/44/952522244.db2.gz CRMLAHKNCHHBRH-GXSJLCMTSA-N 1 2 376.446 -0.358 20 0 GBADLO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)NC1=O ZINC001571121745 952522609 /nfs/dbraw/zinc/52/26/09/952522609.db2.gz CRMLAHKNCHHBRH-KOLCDFICSA-N 1 2 376.446 -0.358 20 0 GBADLO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)NC1=O ZINC001571121745 952522604 /nfs/dbraw/zinc/52/26/04/952522604.db2.gz CRMLAHKNCHHBRH-KOLCDFICSA-N 1 2 376.446 -0.358 20 0 GBADLO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)NC1=O ZINC001571121747 952522015 /nfs/dbraw/zinc/52/20/15/952522015.db2.gz CRMLAHKNCHHBRH-MWLCHTKSSA-N 1 2 376.446 -0.358 20 0 GBADLO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)NC1=O ZINC001571121747 952522007 /nfs/dbraw/zinc/52/20/07/952522007.db2.gz CRMLAHKNCHHBRH-MWLCHTKSSA-N 1 2 376.446 -0.358 20 0 GBADLO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)NC1=O ZINC001571121748 952522640 /nfs/dbraw/zinc/52/26/40/952522640.db2.gz CRMLAHKNCHHBRH-ONGXEEELSA-N 1 2 376.446 -0.358 20 0 GBADLO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)NC1=O ZINC001571121748 952522635 /nfs/dbraw/zinc/52/26/35/952522635.db2.gz CRMLAHKNCHHBRH-ONGXEEELSA-N 1 2 376.446 -0.358 20 0 GBADLO O=C(NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CS(=O)(=O)C1 ZINC001571123121 952529098 /nfs/dbraw/zinc/52/90/98/952529098.db2.gz PRTLZGLNJHCDJS-UHFFFAOYSA-N 1 2 376.442 -0.541 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571127602 952558357 /nfs/dbraw/zinc/55/83/57/952558357.db2.gz JOBGNXVOESABLW-CYBMUJFWSA-N 1 2 377.474 -0.051 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571127602 952558354 /nfs/dbraw/zinc/55/83/54/952558354.db2.gz JOBGNXVOESABLW-CYBMUJFWSA-N 1 2 377.474 -0.051 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571127603 952558486 /nfs/dbraw/zinc/55/84/86/952558486.db2.gz JOBGNXVOESABLW-ZDUSSCGKSA-N 1 2 377.474 -0.051 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571127603 952558479 /nfs/dbraw/zinc/55/84/79/952558479.db2.gz JOBGNXVOESABLW-ZDUSSCGKSA-N 1 2 377.474 -0.051 20 0 GBADLO CN1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571128732 952569621 /nfs/dbraw/zinc/56/96/21/952569621.db2.gz XFZBEKVYSIATSA-DGCLKSJQSA-N 1 2 377.474 -0.051 20 0 GBADLO CN1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571128732 952569617 /nfs/dbraw/zinc/56/96/17/952569617.db2.gz XFZBEKVYSIATSA-DGCLKSJQSA-N 1 2 377.474 -0.051 20 0 GBADLO CN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571128737 952569419 /nfs/dbraw/zinc/56/94/19/952569419.db2.gz XFZBEKVYSIATSA-YPMHNXCESA-N 1 2 377.474 -0.051 20 0 GBADLO CN1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571128737 952569411 /nfs/dbraw/zinc/56/94/11/952569411.db2.gz XFZBEKVYSIATSA-YPMHNXCESA-N 1 2 377.474 -0.051 20 0 GBADLO CCCN(CC[NH+](CC)CC)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571134248 952587232 /nfs/dbraw/zinc/58/72/32/952587232.db2.gz DCPLSLMMNKTCCI-UHFFFAOYSA-N 1 2 378.437 -0.291 20 0 GBADLO C[C@H](NC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C(C)(C)C[NH+](C)C ZINC001571134633 952592529 /nfs/dbraw/zinc/59/25/29/952592529.db2.gz IVPVKVHSBKZBHM-JTQLQIEISA-N 1 2 378.437 -0.388 20 0 GBADLO C[C@@H](NC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C(C)(C)C[NH+](C)C ZINC001571134634 952592872 /nfs/dbraw/zinc/59/28/72/952592872.db2.gz IVPVKVHSBKZBHM-SNVBAGLBSA-N 1 2 378.437 -0.388 20 0 GBADLO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571134930 952597932 /nfs/dbraw/zinc/59/79/32/952597932.db2.gz NNHNGLZIDYAAGJ-LLVKDONJSA-N 1 2 378.437 -0.244 20 0 GBADLO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571134930 952597927 /nfs/dbraw/zinc/59/79/27/952597927.db2.gz NNHNGLZIDYAAGJ-LLVKDONJSA-N 1 2 378.437 -0.244 20 0 GBADLO C[NH+](C)CC[C@@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C(C)(C)C ZINC001571135558 952605770 /nfs/dbraw/zinc/60/57/70/952605770.db2.gz WSDZYPFIFRVCMW-LLVKDONJSA-N 1 2 378.437 -0.388 20 0 GBADLO C[NH+](C)CC[C@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C(C)(C)C ZINC001571135559 952605434 /nfs/dbraw/zinc/60/54/34/952605434.db2.gz WSDZYPFIFRVCMW-NSHDSACASA-N 1 2 378.437 -0.388 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)c1csnn1 ZINC001571140501 952626772 /nfs/dbraw/zinc/62/67/72/952626772.db2.gz BLVNLPUNXCNTGL-SCZZXKLOSA-N 1 2 378.443 -0.245 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)c1csnn1 ZINC001571140501 952626768 /nfs/dbraw/zinc/62/67/68/952626768.db2.gz BLVNLPUNXCNTGL-SCZZXKLOSA-N 1 2 378.443 -0.245 20 0 GBADLO Cc1nsc(N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1-c1nn[nH]n1 ZINC001571142323 952639913 /nfs/dbraw/zinc/63/99/13/952639913.db2.gz PBIVFVAXXREKJK-GHMZBOCLSA-N 1 2 378.462 -0.025 20 0 GBADLO Cc1nsc(N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1-c1nn[nH]n1 ZINC001571142323 952639912 /nfs/dbraw/zinc/63/99/12/952639912.db2.gz PBIVFVAXXREKJK-GHMZBOCLSA-N 1 2 378.462 -0.025 20 0 GBADLO Cc1nsc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1-c1nn[nH]n1 ZINC001571142324 952639831 /nfs/dbraw/zinc/63/98/31/952639831.db2.gz PBIVFVAXXREKJK-MNOVXSKESA-N 1 2 378.462 -0.025 20 0 GBADLO Cc1nsc(N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1-c1nn[nH]n1 ZINC001571142324 952639824 /nfs/dbraw/zinc/63/98/24/952639824.db2.gz PBIVFVAXXREKJK-MNOVXSKESA-N 1 2 378.462 -0.025 20 0 GBADLO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571148047 952665671 /nfs/dbraw/zinc/66/56/71/952665671.db2.gz UCHCESAXTWITGQ-JTQLQIEISA-N 1 2 379.425 -0.842 20 0 GBADLO CC[C@H](C)[N@H+](C)CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571148047 952665669 /nfs/dbraw/zinc/66/56/69/952665669.db2.gz UCHCESAXTWITGQ-JTQLQIEISA-N 1 2 379.425 -0.842 20 0 GBADLO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571148049 952665282 /nfs/dbraw/zinc/66/52/82/952665282.db2.gz UCHCESAXTWITGQ-SNVBAGLBSA-N 1 2 379.425 -0.842 20 0 GBADLO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571148049 952665281 /nfs/dbraw/zinc/66/52/81/952665281.db2.gz UCHCESAXTWITGQ-SNVBAGLBSA-N 1 2 379.425 -0.842 20 0 GBADLO CCCC[N@@H+](C)CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571148320 952666522 /nfs/dbraw/zinc/66/65/22/952666522.db2.gz YLXFGRVXPCGNFE-UHFFFAOYSA-N 1 2 379.425 -0.840 20 0 GBADLO CCCC[N@H+](C)CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571148320 952666519 /nfs/dbraw/zinc/66/65/19/952666519.db2.gz YLXFGRVXPCGNFE-UHFFFAOYSA-N 1 2 379.425 -0.840 20 0 GBADLO Cn1nc(C(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)ccc1=O ZINC001571160323 952724882 /nfs/dbraw/zinc/72/48/82/952724882.db2.gz HBRBJQQXUBIZSM-UHFFFAOYSA-N 1 2 380.412 -0.082 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2C1 ZINC001571162258 952741118 /nfs/dbraw/zinc/74/11/18/952741118.db2.gz OWQGDCLYPSTDKZ-TXEJJXNPSA-N 1 2 380.416 -0.174 20 0 GBADLO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]21 ZINC001571164998 952746406 /nfs/dbraw/zinc/74/64/06/952746406.db2.gz ANYCQWIANCFWBE-GXTWGEPZSA-N 1 2 380.416 -0.101 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[nH]n2)nn1 ZINC001571165107 952746827 /nfs/dbraw/zinc/74/68/27/952746827.db2.gz CCGFXFGTBQZSDF-HONMWMINSA-N 1 2 380.416 -0.141 20 0 GBADLO Cc1nnc(CC(=O)N2C[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]3C2)[nH]1 ZINC001571165139 952747613 /nfs/dbraw/zinc/74/76/13/952747613.db2.gz CTLNGHYWMLPRJV-TXEJJXNPSA-N 1 2 380.416 -0.174 20 0 GBADLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001571165176 952748911 /nfs/dbraw/zinc/74/89/11/952748911.db2.gz FDFMAUQWIYPUIR-GFCCVEGCSA-N 1 2 380.416 -0.236 20 0 GBADLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001571165177 952748781 /nfs/dbraw/zinc/74/87/81/952748781.db2.gz FDFMAUQWIYPUIR-LBPRGKRZSA-N 1 2 380.416 -0.236 20 0 GBADLO O=C(N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571165178 952748926 /nfs/dbraw/zinc/74/89/26/952748926.db2.gz FDWNHBBOEZKQSO-NEPJUHHUSA-N 1 2 380.416 -0.189 20 0 GBADLO O=C(N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001571165179 952748116 /nfs/dbraw/zinc/74/81/16/952748116.db2.gz FDWNHBBOEZKQSO-RYUDHWBXSA-N 1 2 380.416 -0.189 20 0 GBADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001571165211 952748713 /nfs/dbraw/zinc/74/87/13/952748713.db2.gz GHCNNUNQILQQIK-GFCCVEGCSA-N 1 2 380.416 -0.236 20 0 GBADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001571165212 952748802 /nfs/dbraw/zinc/74/88/02/952748802.db2.gz GHCNNUNQILQQIK-LBPRGKRZSA-N 1 2 380.416 -0.236 20 0 GBADLO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2C1 ZINC001571165487 952750839 /nfs/dbraw/zinc/75/08/39/952750839.db2.gz HXFIWMCDCWYJME-BETUJISGSA-N 1 2 380.416 -0.244 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[nH]n2)n1 ZINC001571165501 952752540 /nfs/dbraw/zinc/75/25/40/952752540.db2.gz IJGDRRLXAXXDGZ-STQMWFEESA-N 1 2 380.416 -0.188 20 0 GBADLO O=C(N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001571165523 952752133 /nfs/dbraw/zinc/75/21/33/952752133.db2.gz IYXCWKKCOXTUAT-NEPJUHHUSA-N 1 2 380.416 -0.189 20 0 GBADLO O=C(N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001571165524 952752668 /nfs/dbraw/zinc/75/26/68/952752668.db2.gz IYXCWKKCOXTUAT-RYUDHWBXSA-N 1 2 380.416 -0.189 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]21 ZINC001571165747 952753937 /nfs/dbraw/zinc/75/39/37/952753937.db2.gz JMEPKWJFEZZVTC-SMDDNHRTSA-N 1 2 380.416 -0.330 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[nH]n2)nn1 ZINC001571166301 952759773 /nfs/dbraw/zinc/75/97/73/952759773.db2.gz QNXGSXRFKDBSLM-RYUDHWBXSA-N 1 2 380.416 -0.188 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[nH]n2)cn1 ZINC001571166420 952760639 /nfs/dbraw/zinc/76/06/39/952760639.db2.gz RKRQGEBJIPDOKW-OSMZGAPFSA-N 1 2 380.416 -0.141 20 0 GBADLO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571166826 952765568 /nfs/dbraw/zinc/76/55/68/952765568.db2.gz WRIBJIFOOIFVMW-QWHCGFSZSA-N 1 2 380.416 -0.101 20 0 GBADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001571175338 952820481 /nfs/dbraw/zinc/82/04/81/952820481.db2.gz AYFFLDDHYKETPF-ZWNOBZJWSA-N 1 2 381.400 -0.167 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]21 ZINC001571175626 952823829 /nfs/dbraw/zinc/82/38/29/952823829.db2.gz XMWZSCRZXNDBLS-RTUWITSCSA-N 1 2 381.400 -0.344 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571175689 952825623 /nfs/dbraw/zinc/82/56/23/952825623.db2.gz FENAFFSWERJRKC-HBYGRHMLSA-N 1 2 381.400 -0.642 20 0 GBADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571175726 952824704 /nfs/dbraw/zinc/82/47/04/952824704.db2.gz GMSJBFURWJDNQJ-RTUWITSCSA-N 1 2 381.400 -0.263 20 0 GBADLO O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001571175888 952825928 /nfs/dbraw/zinc/82/59/28/952825928.db2.gz HBKWJADKULDQBA-UHFFFAOYSA-N 1 2 381.400 -0.165 20 0 GBADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001571175892 952826167 /nfs/dbraw/zinc/82/61/67/952826167.db2.gz HEUFENXLFOVJCM-CNDDSTCGSA-N 1 2 381.400 -0.405 20 0 GBADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571175953 952828093 /nfs/dbraw/zinc/82/80/93/952828093.db2.gz JMAHQJOQEJVUSM-TXEJJXNPSA-N 1 2 381.400 -0.024 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001571176397 952832532 /nfs/dbraw/zinc/83/25/32/952832532.db2.gz RCSSBCCXZSRLNQ-UHFFFAOYSA-N 1 2 381.400 -0.234 20 0 GBADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]21 ZINC001571178367 952838883 /nfs/dbraw/zinc/83/88/83/952838883.db2.gz GRFGPPLTRLMVIW-GXFFZTMASA-N 1 2 381.400 -0.167 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571178747 952845828 /nfs/dbraw/zinc/84/58/28/952845828.db2.gz SKNIEJAJYYHSPC-BXUZGUMPSA-N 1 2 381.400 -0.236 20 0 GBADLO O=C(c1nc[nH]n1)N1CC[C@@]2(C1)CN(c1cc[nH+]cc1-c1nn[nH]n1)CCO2 ZINC001571194309 952961103 /nfs/dbraw/zinc/96/11/03/952961103.db2.gz LPTWGSGPCUUHHL-INIZCTEOSA-N 1 2 382.388 -0.499 20 0 GBADLO O=C(c1nc[nH]n1)N1CC[C@]2(C1)CN(c1cc[nH+]cc1-c1nn[nH]n1)CCO2 ZINC001571194311 952960850 /nfs/dbraw/zinc/96/08/50/952960850.db2.gz LPTWGSGPCUUHHL-MRXNPFEDSA-N 1 2 382.388 -0.499 20 0 GBADLO O=C(Cn1ccc(=O)[nH]c1=O)NC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571194404 952962153 /nfs/dbraw/zinc/96/21/53/952962153.db2.gz LRSOHORWMXXMBJ-UHFFFAOYSA-N 1 2 382.384 -0.870 20 0 GBADLO CNC(=O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571195130 952974268 /nfs/dbraw/zinc/97/42/68/952974268.db2.gz ZUROJFZEZSTAJI-JTQLQIEISA-N 1 2 382.375 -0.372 20 0 GBADLO CNC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571195130 952974264 /nfs/dbraw/zinc/97/42/64/952974264.db2.gz ZUROJFZEZSTAJI-JTQLQIEISA-N 1 2 382.375 -0.372 20 0 GBADLO CNC(=O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571195132 952974219 /nfs/dbraw/zinc/97/42/19/952974219.db2.gz ZUROJFZEZSTAJI-SNVBAGLBSA-N 1 2 382.375 -0.372 20 0 GBADLO CNC(=O)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571195132 952974215 /nfs/dbraw/zinc/97/42/15/952974215.db2.gz ZUROJFZEZSTAJI-SNVBAGLBSA-N 1 2 382.375 -0.372 20 0 GBADLO Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001571200183 953007327 /nfs/dbraw/zinc/00/73/27/953007327.db2.gz BOTRHGVAJNDORV-CVEARBPZSA-N 1 2 382.428 -0.267 20 0 GBADLO Cc1cncn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001571200183 953007324 /nfs/dbraw/zinc/00/73/24/953007324.db2.gz BOTRHGVAJNDORV-CVEARBPZSA-N 1 2 382.428 -0.267 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@]1(F)CCOC1 ZINC001571201121 953014746 /nfs/dbraw/zinc/01/47/46/953014746.db2.gz MZUTXGLHOKXESP-HFAKWTLXSA-N 1 2 382.421 -0.282 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@]1(F)CCOC1 ZINC001571201121 953014741 /nfs/dbraw/zinc/01/47/41/953014741.db2.gz MZUTXGLHOKXESP-HFAKWTLXSA-N 1 2 382.421 -0.282 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@]1(F)CCOC1 ZINC001571201122 953015144 /nfs/dbraw/zinc/01/51/44/953015144.db2.gz MZUTXGLHOKXESP-UEKVPHQBSA-N 1 2 382.421 -0.282 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@]1(F)CCOC1 ZINC001571201122 953015142 /nfs/dbraw/zinc/01/51/42/953015142.db2.gz MZUTXGLHOKXESP-UEKVPHQBSA-N 1 2 382.421 -0.282 20 0 GBADLO C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571204630 953031077 /nfs/dbraw/zinc/03/10/77/953031077.db2.gz BWKAVGYSLXYQHF-NEPJUHHUSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571204632 953031255 /nfs/dbraw/zinc/03/12/55/953031255.db2.gz BWKAVGYSLXYQHF-NWDGAFQWSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571204634 953031051 /nfs/dbraw/zinc/03/10/51/953031051.db2.gz BWKAVGYSLXYQHF-RYUDHWBXSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571204635 953031749 /nfs/dbraw/zinc/03/17/49/953031749.db2.gz BWKAVGYSLXYQHF-VXGBXAGGSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571205663 953039875 /nfs/dbraw/zinc/03/98/75/953039875.db2.gz MQXXNVSTRCPNCX-NEPJUHHUSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571205663 953039872 /nfs/dbraw/zinc/03/98/72/953039872.db2.gz MQXXNVSTRCPNCX-NEPJUHHUSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571205664 953040066 /nfs/dbraw/zinc/04/00/66/953040066.db2.gz MQXXNVSTRCPNCX-NWDGAFQWSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571205664 953040064 /nfs/dbraw/zinc/04/00/64/953040064.db2.gz MQXXNVSTRCPNCX-NWDGAFQWSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571205665 953040645 /nfs/dbraw/zinc/04/06/45/953040645.db2.gz MQXXNVSTRCPNCX-RYUDHWBXSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@H]1CN(C(=O)CCc2nnc[nH]2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571205665 953040643 /nfs/dbraw/zinc/04/06/43/953040643.db2.gz MQXXNVSTRCPNCX-RYUDHWBXSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571205667 953040603 /nfs/dbraw/zinc/04/06/03/953040603.db2.gz MQXXNVSTRCPNCX-VXGBXAGGSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571205667 953040600 /nfs/dbraw/zinc/04/06/00/953040600.db2.gz MQXXNVSTRCPNCX-VXGBXAGGSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571206219 953048014 /nfs/dbraw/zinc/04/80/14/953048014.db2.gz FAMJKJZMHJXBOM-VXGBXAGGSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571206308 953048859 /nfs/dbraw/zinc/04/88/59/953048859.db2.gz FMCWCWJAQNDBTN-VXGBXAGGSA-N 1 2 382.432 -0.059 20 0 GBADLO C[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571206308 953048853 /nfs/dbraw/zinc/04/88/53/953048853.db2.gz FMCWCWJAQNDBTN-VXGBXAGGSA-N 1 2 382.432 -0.059 20 0 GBADLO CCn1nc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001571206641 953054412 /nfs/dbraw/zinc/05/44/12/953054412.db2.gz IVWBNZICDMVJTL-JYAVWHMHSA-N 1 2 382.432 -0.025 20 0 GBADLO CCn1nc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001571206641 953054408 /nfs/dbraw/zinc/05/44/08/953054408.db2.gz IVWBNZICDMVJTL-JYAVWHMHSA-N 1 2 382.432 -0.025 20 0 GBADLO CCn1nc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001571206792 953055570 /nfs/dbraw/zinc/05/55/70/953055570.db2.gz KRUSCQPOBHDEHX-HBYGRHMLSA-N 1 2 382.432 -0.025 20 0 GBADLO CCn1nc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001571206792 953055564 /nfs/dbraw/zinc/05/55/64/953055564.db2.gz KRUSCQPOBHDEHX-HBYGRHMLSA-N 1 2 382.432 -0.025 20 0 GBADLO Cc1cc(-c2nn[nH]n2)nc(N2CCCN(C(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC001571206863 953055854 /nfs/dbraw/zinc/05/58/54/953055854.db2.gz LLEBCGVJTOCOND-UHFFFAOYSA-N 1 2 382.432 -0.020 20 0 GBADLO Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C1 ZINC001571211413 953076033 /nfs/dbraw/zinc/07/60/33/953076033.db2.gz AFLIPWPQOHQQBO-YPMHNXCESA-N 1 2 382.432 -0.083 20 0 GBADLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C1 ZINC001571211413 953076027 /nfs/dbraw/zinc/07/60/27/953076027.db2.gz AFLIPWPQOHQQBO-YPMHNXCESA-N 1 2 382.432 -0.083 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CC1(C)C ZINC001571212327 953086779 /nfs/dbraw/zinc/08/67/79/953086779.db2.gz LPWGMXYOBUOKET-CYBMUJFWSA-N 1 2 382.432 -0.036 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CC1(C)C ZINC001571212328 953087066 /nfs/dbraw/zinc/08/70/66/953087066.db2.gz LPWGMXYOBUOKET-ZDUSSCGKSA-N 1 2 382.432 -0.036 20 0 GBADLO O=C(N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571218502 953115877 /nfs/dbraw/zinc/11/58/77/953115877.db2.gz PLYGJHMOEFSTNC-GRYCIOLGSA-N 1 2 383.359 -0.606 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571218502 953115874 /nfs/dbraw/zinc/11/58/74/953115874.db2.gz PLYGJHMOEFSTNC-GRYCIOLGSA-N 1 2 383.359 -0.606 20 0 GBADLO O=C(N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571218503 953116163 /nfs/dbraw/zinc/11/61/63/953116163.db2.gz PLYGJHMOEFSTNC-WOPDTQHZSA-N 1 2 383.359 -0.606 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571218503 953116160 /nfs/dbraw/zinc/11/61/60/953116160.db2.gz PLYGJHMOEFSTNC-WOPDTQHZSA-N 1 2 383.359 -0.606 20 0 GBADLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571222448 953134790 /nfs/dbraw/zinc/13/47/90/953134790.db2.gz FWDFBAMHRWQCPI-GFCCVEGCSA-N 1 2 383.416 -0.156 20 0 GBADLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571222449 953134888 /nfs/dbraw/zinc/13/48/88/953134888.db2.gz FWDFBAMHRWQCPI-LBPRGKRZSA-N 1 2 383.416 -0.156 20 0 GBADLO CO[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571222492 953134877 /nfs/dbraw/zinc/13/48/77/953134877.db2.gz GPXCKUNHAKHNEI-HUUCEWRRSA-N 1 2 383.416 -0.078 20 0 GBADLO CO[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571222492 953134876 /nfs/dbraw/zinc/13/48/76/953134876.db2.gz GPXCKUNHAKHNEI-HUUCEWRRSA-N 1 2 383.416 -0.078 20 0 GBADLO C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001571222529 953135941 /nfs/dbraw/zinc/13/59/41/953135941.db2.gz IIVMSXGWOVELFT-JTQLQIEISA-N 1 2 383.416 -0.252 20 0 GBADLO C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001571222530 953135768 /nfs/dbraw/zinc/13/57/68/953135768.db2.gz IIVMSXGWOVELFT-SNVBAGLBSA-N 1 2 383.416 -0.252 20 0 GBADLO CCc1nc(N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cc(C)[nH+]1 ZINC001571222575 953135625 /nfs/dbraw/zinc/13/56/25/953135625.db2.gz HOHLKCBWFDYSOL-CHWSQXEVSA-N 1 2 383.416 -0.165 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001571222685 953137803 /nfs/dbraw/zinc/13/78/03/953137803.db2.gz JASONQIGTBTTCO-MFKMUULPSA-N 1 2 383.416 -0.110 20 0 GBADLO CN(C(=O)Cn1ncn(C)c1=O)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571222691 953137341 /nfs/dbraw/zinc/13/73/41/953137341.db2.gz JGYWZDZBYFRNNA-UHFFFAOYSA-N 1 2 383.416 -0.895 20 0 GBADLO CO[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571222713 953137485 /nfs/dbraw/zinc/13/74/85/953137485.db2.gz JYUZJEWPJGUYNC-HUUCEWRRSA-N 1 2 383.416 -0.078 20 0 GBADLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571222832 953139351 /nfs/dbraw/zinc/13/93/51/953139351.db2.gz MWQGMGRJTQOVFA-GHMZBOCLSA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571222995 953140756 /nfs/dbraw/zinc/14/07/56/953140756.db2.gz OSYLFKBCFPODDS-QMTHXVAHSA-N 1 2 383.416 -0.252 20 0 GBADLO CO[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571223230 953142401 /nfs/dbraw/zinc/14/24/01/953142401.db2.gz QVZIAKLSNDFMQE-HUUCEWRRSA-N 1 2 383.416 -0.078 20 0 GBADLO CO[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571223230 953142399 /nfs/dbraw/zinc/14/23/99/953142399.db2.gz QVZIAKLSNDFMQE-HUUCEWRRSA-N 1 2 383.416 -0.078 20 0 GBADLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571223305 953143245 /nfs/dbraw/zinc/14/32/45/953143245.db2.gz STDNUGSJSWMXGS-UHFFFAOYSA-N 1 2 383.416 -0.110 20 0 GBADLO CN(C[C@H]1CCN1C(=O)Cc1c[nH+]cn1C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571223567 953145134 /nfs/dbraw/zinc/14/51/34/953145134.db2.gz VRWKZJUOVYRXLQ-GFCCVEGCSA-N 1 2 383.416 -0.156 20 0 GBADLO CN(C[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571223568 953145442 /nfs/dbraw/zinc/14/54/42/953145442.db2.gz VRWKZJUOVYRXLQ-LBPRGKRZSA-N 1 2 383.416 -0.156 20 0 GBADLO CCc1cc(N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001571223757 953145916 /nfs/dbraw/zinc/14/59/16/953145916.db2.gz UJMXZHSLQABYNI-KGLIPLIRSA-N 1 2 383.416 -0.165 20 0 GBADLO CCc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc(C)[nH+]1 ZINC001571223759 953145851 /nfs/dbraw/zinc/14/58/51/953145851.db2.gz UJMXZHSLQABYNI-ZIAGYGMSSA-N 1 2 383.416 -0.165 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C[C@@H]1O ZINC001571223821 953147045 /nfs/dbraw/zinc/14/70/45/953147045.db2.gz XVBYMJFHLYCKSR-DOMZBBRYSA-N 1 2 383.416 -0.408 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1O ZINC001571223828 953146814 /nfs/dbraw/zinc/14/68/14/953146814.db2.gz XVBYMJFHLYCKSR-IUODEOHRSA-N 1 2 383.416 -0.408 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1O ZINC001571223830 953146788 /nfs/dbraw/zinc/14/67/88/953146788.db2.gz XVBYMJFHLYCKSR-SWLSCSKDSA-N 1 2 383.416 -0.408 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)C[C@@H]1O ZINC001571223832 953147247 /nfs/dbraw/zinc/14/72/47/953147247.db2.gz XVBYMJFHLYCKSR-WFASDCNBSA-N 1 2 383.416 -0.408 20 0 GBADLO Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001571224647 953149921 /nfs/dbraw/zinc/14/99/21/953149921.db2.gz BTZDAEKCVQTKCU-CYBMUJFWSA-N 1 2 383.416 -0.076 20 0 GBADLO Cc1nccnc1C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001571224648 953150048 /nfs/dbraw/zinc/15/00/48/953150048.db2.gz BTZDAEKCVQTKCU-ZDUSSCGKSA-N 1 2 383.416 -0.076 20 0 GBADLO Cc1cc(N2CCO[C@H](CNC(=O)c3ccn(C)n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571224650 953150122 /nfs/dbraw/zinc/15/01/22/953150122.db2.gz BUFVECLRPPRNMZ-GFCCVEGCSA-N 1 2 383.416 -0.061 20 0 GBADLO Cc1cc(N2CCO[C@@H](CNC(=O)c3ccn(C)n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571224651 953150092 /nfs/dbraw/zinc/15/00/92/953150092.db2.gz BUFVECLRPPRNMZ-LBPRGKRZSA-N 1 2 383.416 -0.061 20 0 GBADLO Cc1nn(CC(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)c(=O)n1C ZINC001571224703 953150660 /nfs/dbraw/zinc/15/06/60/953150660.db2.gz DIXWFLZBBOZBIW-UHFFFAOYSA-N 1 2 383.416 -0.929 20 0 GBADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)n[nH]1 ZINC001571224717 953150768 /nfs/dbraw/zinc/15/07/68/953150768.db2.gz DXELGZUIPWSYGH-KGLIPLIRSA-N 1 2 383.416 -0.803 20 0 GBADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)n[nH]1 ZINC001571224717 953150765 /nfs/dbraw/zinc/15/07/65/953150765.db2.gz DXELGZUIPWSYGH-KGLIPLIRSA-N 1 2 383.416 -0.803 20 0 GBADLO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n[nH]1 ZINC001571224718 953150711 /nfs/dbraw/zinc/15/07/11/953150711.db2.gz DXELGZUIPWSYGH-ZIAGYGMSSA-N 1 2 383.416 -0.803 20 0 GBADLO Cc1nc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)n[nH]1 ZINC001571224718 953150710 /nfs/dbraw/zinc/15/07/10/953150710.db2.gz DXELGZUIPWSYGH-ZIAGYGMSSA-N 1 2 383.416 -0.803 20 0 GBADLO Cn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCO2)nn1 ZINC001571227733 953159066 /nfs/dbraw/zinc/15/90/66/953159066.db2.gz AUDSCNHAEHQVIY-AWEZNQCLSA-N 1 2 383.416 -0.374 20 0 GBADLO Cn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCO2)nn1 ZINC001571227733 953159064 /nfs/dbraw/zinc/15/90/64/953159064.db2.gz AUDSCNHAEHQVIY-AWEZNQCLSA-N 1 2 383.416 -0.374 20 0 GBADLO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCO2)nn1 ZINC001571227734 953159047 /nfs/dbraw/zinc/15/90/47/953159047.db2.gz AUDSCNHAEHQVIY-CQSZACIVSA-N 1 2 383.416 -0.374 20 0 GBADLO Cn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCO2)nn1 ZINC001571227734 953159044 /nfs/dbraw/zinc/15/90/44/953159044.db2.gz AUDSCNHAEHQVIY-CQSZACIVSA-N 1 2 383.416 -0.374 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CCC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571227824 953160141 /nfs/dbraw/zinc/16/01/41/953160141.db2.gz COWDPGKYVCDOOE-UHFFFAOYSA-N 1 2 383.416 -0.108 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571227837 953160051 /nfs/dbraw/zinc/16/00/51/953160051.db2.gz CSGRSMDOVMQPKT-LLVKDONJSA-N 1 2 383.416 -0.108 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571227838 953159804 /nfs/dbraw/zinc/15/98/04/953159804.db2.gz CSGRSMDOVMQPKT-NSHDSACASA-N 1 2 383.416 -0.108 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571228071 953161487 /nfs/dbraw/zinc/16/14/87/953161487.db2.gz HKQFGLZKOPPGFD-LBPRGKRZSA-N 1 2 383.416 -0.108 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571228190 953162227 /nfs/dbraw/zinc/16/22/27/953162227.db2.gz KMRSTRSTRGXLPE-LLVKDONJSA-N 1 2 383.416 -0.108 20 0 GBADLO Cn1c[nH+]cc1CC(=O)NC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571228211 953163309 /nfs/dbraw/zinc/16/33/09/953163309.db2.gz KWKFWRYDBCCSIU-UHFFFAOYSA-N 1 2 383.416 -0.108 20 0 GBADLO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571228276 953163835 /nfs/dbraw/zinc/16/38/35/953163835.db2.gz MGGKAAKBPQGUGU-KBPBESRZSA-N 1 2 383.416 -0.721 20 0 GBADLO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571228276 953163833 /nfs/dbraw/zinc/16/38/33/953163833.db2.gz MGGKAAKBPQGUGU-KBPBESRZSA-N 1 2 383.416 -0.721 20 0 GBADLO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571228277 953163860 /nfs/dbraw/zinc/16/38/60/953163860.db2.gz MGGKAAKBPQGUGU-KGLIPLIRSA-N 1 2 383.416 -0.721 20 0 GBADLO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571228277 953163858 /nfs/dbraw/zinc/16/38/58/953163858.db2.gz MGGKAAKBPQGUGU-KGLIPLIRSA-N 1 2 383.416 -0.721 20 0 GBADLO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571228278 953163566 /nfs/dbraw/zinc/16/35/66/953163566.db2.gz MGGKAAKBPQGUGU-UONOGXRCSA-N 1 2 383.416 -0.721 20 0 GBADLO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571228278 953163564 /nfs/dbraw/zinc/16/35/64/953163564.db2.gz MGGKAAKBPQGUGU-UONOGXRCSA-N 1 2 383.416 -0.721 20 0 GBADLO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571228279 953163680 /nfs/dbraw/zinc/16/36/80/953163680.db2.gz MGGKAAKBPQGUGU-ZIAGYGMSSA-N 1 2 383.416 -0.721 20 0 GBADLO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571228279 953163678 /nfs/dbraw/zinc/16/36/78/953163678.db2.gz MGGKAAKBPQGUGU-ZIAGYGMSSA-N 1 2 383.416 -0.721 20 0 GBADLO Cn1c[nH+]cc1CN1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)CO2 ZINC001571228401 953163816 /nfs/dbraw/zinc/16/38/16/953163816.db2.gz OSDGNFYSVGPDEH-GFCCVEGCSA-N 1 2 383.416 -0.298 20 0 GBADLO Cn1c[nH+]cc1CN1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)CO2 ZINC001571228404 953163614 /nfs/dbraw/zinc/16/36/14/953163614.db2.gz OSDGNFYSVGPDEH-LBPRGKRZSA-N 1 2 383.416 -0.298 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571228598 953165452 /nfs/dbraw/zinc/16/54/52/953165452.db2.gz TXVLFQWUAZYFSW-AWEZNQCLSA-N 1 2 383.416 -0.123 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571228599 953165337 /nfs/dbraw/zinc/16/53/37/953165337.db2.gz TXVLFQWUAZYFSW-CQSZACIVSA-N 1 2 383.416 -0.123 20 0 GBADLO O=C(Cc1ncn[nH]1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571228601 953165402 /nfs/dbraw/zinc/16/54/02/953165402.db2.gz TYLJYRIOEYZZRN-CYBMUJFWSA-N 1 2 383.416 -0.456 20 0 GBADLO O=C(Cc1ncn[nH]1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571228602 953165105 /nfs/dbraw/zinc/16/51/05/953165105.db2.gz TYLJYRIOEYZZRN-ZDUSSCGKSA-N 1 2 383.416 -0.456 20 0 GBADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@](CO)(Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571228621 953165755 /nfs/dbraw/zinc/16/57/55/953165755.db2.gz UGEYUDUUFRFATD-KRWDZBQOSA-N 1 2 383.416 -0.007 20 0 GBADLO O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571228622 953165894 /nfs/dbraw/zinc/16/58/94/953165894.db2.gz UGEYUDUUFRFATD-QGZVFWFLSA-N 1 2 383.416 -0.007 20 0 GBADLO Cn1c[nH+]cc1CN1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001571228796 953167047 /nfs/dbraw/zinc/16/70/47/953167047.db2.gz VSEDQOULTHLNNM-GFCCVEGCSA-N 1 2 383.416 -0.298 20 0 GBADLO Cn1c[nH+]cc1CN1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001571228797 953166774 /nfs/dbraw/zinc/16/67/74/953166774.db2.gz VSEDQOULTHLNNM-LBPRGKRZSA-N 1 2 383.416 -0.298 20 0 GBADLO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001571228991 953167856 /nfs/dbraw/zinc/16/78/56/953167856.db2.gz XWRGVAFEIUKIDH-CYBMUJFWSA-N 1 2 383.416 -0.374 20 0 GBADLO Cn1nncc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001571228991 953167854 /nfs/dbraw/zinc/16/78/54/953167854.db2.gz XWRGVAFEIUKIDH-CYBMUJFWSA-N 1 2 383.416 -0.374 20 0 GBADLO Cn1nncc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001571228992 953167612 /nfs/dbraw/zinc/16/76/12/953167612.db2.gz XWRGVAFEIUKIDH-ZDUSSCGKSA-N 1 2 383.416 -0.374 20 0 GBADLO Cn1nncc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001571228992 953167608 /nfs/dbraw/zinc/16/76/08/953167608.db2.gz XWRGVAFEIUKIDH-ZDUSSCGKSA-N 1 2 383.416 -0.374 20 0 GBADLO Cn1nnc(C[NH2+][C@@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C23CCC3)n1 ZINC001571229671 953170825 /nfs/dbraw/zinc/17/08/25/953170825.db2.gz JEGVKUYRNARVJK-NEPJUHHUSA-N 1 2 383.420 -0.451 20 0 GBADLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C23CCC3)n1 ZINC001571229672 953170909 /nfs/dbraw/zinc/17/09/09/953170909.db2.gz JEGVKUYRNARVJK-NWDGAFQWSA-N 1 2 383.420 -0.451 20 0 GBADLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C23CCC3)n1 ZINC001571229673 953170638 /nfs/dbraw/zinc/17/06/38/953170638.db2.gz JEGVKUYRNARVJK-RYUDHWBXSA-N 1 2 383.420 -0.451 20 0 GBADLO Cn1nnc(C[NH2+][C@@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C23CCC3)n1 ZINC001571229674 953170491 /nfs/dbraw/zinc/17/04/91/953170491.db2.gz JEGVKUYRNARVJK-VXGBXAGGSA-N 1 2 383.420 -0.451 20 0 GBADLO C[NH+](C)Cc1cccc(C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)c1 ZINC001571235396 953212144 /nfs/dbraw/zinc/21/21/44/953212144.db2.gz CJYUAJKXFXYIOH-UHFFFAOYSA-N 1 2 384.400 -0.379 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)c1ccnnc1 ZINC001571235416 953212179 /nfs/dbraw/zinc/21/21/79/953212179.db2.gz CWJSYCMCHYYXGO-CABCVRRESA-N 1 2 384.375 -0.229 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)c1ccnnc1 ZINC001571235416 953212177 /nfs/dbraw/zinc/21/21/77/953212177.db2.gz CWJSYCMCHYYXGO-CABCVRRESA-N 1 2 384.375 -0.229 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)c1ccnnc1 ZINC001571235417 953212496 /nfs/dbraw/zinc/21/24/96/953212496.db2.gz CWJSYCMCHYYXGO-HUUCEWRRSA-N 1 2 384.375 -0.229 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)c1ccnnc1 ZINC001571235417 953212494 /nfs/dbraw/zinc/21/24/94/953212494.db2.gz CWJSYCMCHYYXGO-HUUCEWRRSA-N 1 2 384.375 -0.229 20 0 GBADLO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571235631 953214239 /nfs/dbraw/zinc/21/42/39/953214239.db2.gz LMZPPNBTVXTBJM-STQMWFEESA-N 1 2 384.379 -0.522 20 0 GBADLO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571235631 953214235 /nfs/dbraw/zinc/21/42/35/953214235.db2.gz LMZPPNBTVXTBJM-STQMWFEESA-N 1 2 384.379 -0.522 20 0 GBADLO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571236212 953216859 /nfs/dbraw/zinc/21/68/59/953216859.db2.gz VMQPBIUITZGKJE-ZDUSSCGKSA-N 1 2 384.400 -0.893 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)c1cncnc1 ZINC001571236366 953217626 /nfs/dbraw/zinc/21/76/26/953217626.db2.gz XSJOSJHVWIZNNI-HUUCEWRRSA-N 1 2 384.375 -0.229 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)c1cncnc1 ZINC001571236366 953217624 /nfs/dbraw/zinc/21/76/24/953217624.db2.gz XSJOSJHVWIZNNI-HUUCEWRRSA-N 1 2 384.375 -0.229 20 0 GBADLO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001571236728 953219158 /nfs/dbraw/zinc/21/91/58/953219158.db2.gz CFMYVCCZDLSAGL-ZIAGYGMSSA-N 1 2 384.400 -0.427 20 0 GBADLO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001571236728 953219156 /nfs/dbraw/zinc/21/91/56/953219156.db2.gz CFMYVCCZDLSAGL-ZIAGYGMSSA-N 1 2 384.400 -0.427 20 0 GBADLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)ccn1 ZINC001571237636 953222230 /nfs/dbraw/zinc/22/22/30/953222230.db2.gz KAZKATSXUCFTKY-ZIAGYGMSSA-N 1 2 384.400 -0.427 20 0 GBADLO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)n1 ZINC001571237945 953224010 /nfs/dbraw/zinc/22/40/10/953224010.db2.gz ORYKTFZEFBTCGF-KGLIPLIRSA-N 1 2 384.400 -0.427 20 0 GBADLO COc1cccc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)n1 ZINC001571237945 953224006 /nfs/dbraw/zinc/22/40/06/953224006.db2.gz ORYKTFZEFBTCGF-KGLIPLIRSA-N 1 2 384.400 -0.427 20 0 GBADLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)cn1 ZINC001571238148 953225326 /nfs/dbraw/zinc/22/53/26/953225326.db2.gz VMIVOZDDVARXRC-KGLIPLIRSA-N 1 2 384.400 -0.427 20 0 GBADLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)cn1 ZINC001571238148 953225323 /nfs/dbraw/zinc/22/53/23/953225323.db2.gz VMIVOZDDVARXRC-KGLIPLIRSA-N 1 2 384.400 -0.427 20 0 GBADLO Cc1c[nH+]cn1CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571238362 953228460 /nfs/dbraw/zinc/22/84/60/953228460.db2.gz APZLJJKMGBZGGN-GFCCVEGCSA-N 1 2 384.404 -0.499 20 0 GBADLO Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571238363 953228212 /nfs/dbraw/zinc/22/82/12/953228212.db2.gz APZLJJKMGBZGGN-LBPRGKRZSA-N 1 2 384.404 -0.499 20 0 GBADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571238463 953229185 /nfs/dbraw/zinc/22/91/85/953229185.db2.gz DKBHIQFIATUEAS-INIZCTEOSA-N 1 2 384.404 -0.612 20 0 GBADLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571238464 953229119 /nfs/dbraw/zinc/22/91/19/953229119.db2.gz DKBHIQFIATUEAS-MRXNPFEDSA-N 1 2 384.404 -0.612 20 0 GBADLO O=C(CCc1c[nH]nn1)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571238474 953230157 /nfs/dbraw/zinc/23/01/57/953230157.db2.gz DRQNPPNMWFHKAN-GFCCVEGCSA-N 1 2 384.404 -0.926 20 0 GBADLO O=C(CCc1cn[nH]n1)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571238474 953230154 /nfs/dbraw/zinc/23/01/54/953230154.db2.gz DRQNPPNMWFHKAN-GFCCVEGCSA-N 1 2 384.404 -0.926 20 0 GBADLO O=C(CCc1c[nH]nn1)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571238475 953229564 /nfs/dbraw/zinc/22/95/64/953229564.db2.gz DRQNPPNMWFHKAN-LBPRGKRZSA-N 1 2 384.404 -0.926 20 0 GBADLO O=C(CCc1cn[nH]n1)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571238475 953229559 /nfs/dbraw/zinc/22/95/59/953229559.db2.gz DRQNPPNMWFHKAN-LBPRGKRZSA-N 1 2 384.404 -0.926 20 0 GBADLO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C2)no1 ZINC001571238593 953230936 /nfs/dbraw/zinc/23/09/36/953230936.db2.gz HPTMYAYAIKEZEX-JTQLQIEISA-N 1 2 384.404 -0.285 20 0 GBADLO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C2)no1 ZINC001571238594 953230786 /nfs/dbraw/zinc/23/07/86/953230786.db2.gz HPTMYAYAIKEZEX-SNVBAGLBSA-N 1 2 384.404 -0.285 20 0 GBADLO Cc1[nH+]ccn1CC(=O)N1CCO[C@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571238749 953232248 /nfs/dbraw/zinc/23/22/48/953232248.db2.gz MDRSTMMXEAMVFU-GFCCVEGCSA-N 1 2 384.404 -0.499 20 0 GBADLO Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571238750 953232505 /nfs/dbraw/zinc/23/25/05/953232505.db2.gz MDRSTMMXEAMVFU-LBPRGKRZSA-N 1 2 384.404 -0.499 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1CCC[C@](CO)(Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571239119 953236586 /nfs/dbraw/zinc/23/65/86/953236586.db2.gz QVNNFXUIGJMGJJ-INIZCTEOSA-N 1 2 384.404 -0.681 20 0 GBADLO O=C(Cn1cc[nH+]c1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571239120 953236279 /nfs/dbraw/zinc/23/62/79/953236279.db2.gz QVNNFXUIGJMGJJ-MRXNPFEDSA-N 1 2 384.404 -0.681 20 0 GBADLO O=C(CCn1cc[nH+]c1)N1CCO[C@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571239276 953238101 /nfs/dbraw/zinc/23/81/01/953238101.db2.gz SAOLACDOAMXHDR-GFCCVEGCSA-N 1 2 384.404 -0.417 20 0 GBADLO O=C(CCn1cc[nH+]c1)N1CCO[C@@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571239277 953238126 /nfs/dbraw/zinc/23/81/26/953238126.db2.gz SAOLACDOAMXHDR-LBPRGKRZSA-N 1 2 384.404 -0.417 20 0 GBADLO CO[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001571239531 953240477 /nfs/dbraw/zinc/24/04/77/953240477.db2.gz WJLWLCWGSKKRAB-VXGBXAGGSA-N 1 2 384.404 -0.818 20 0 GBADLO C[NH+](C)Cc1cc(C(=O)N2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)no1 ZINC001571239795 953242655 /nfs/dbraw/zinc/24/26/55/953242655.db2.gz XZGFIRVMSMCMKE-UHFFFAOYSA-N 1 2 384.404 -0.331 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571242835 953260195 /nfs/dbraw/zinc/26/01/95/953260195.db2.gz OZQOYDXIUCNLGN-APIJFGDWSA-N 1 2 384.444 -0.182 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571242835 953260193 /nfs/dbraw/zinc/26/01/93/953260193.db2.gz OZQOYDXIUCNLGN-APIJFGDWSA-N 1 2 384.444 -0.182 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571242836 953260447 /nfs/dbraw/zinc/26/04/47/953260447.db2.gz OZQOYDXIUCNLGN-KBXIAJHMSA-N 1 2 384.444 -0.182 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571242836 953260444 /nfs/dbraw/zinc/26/04/44/953260444.db2.gz OZQOYDXIUCNLGN-KBXIAJHMSA-N 1 2 384.444 -0.182 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[nH]n5)nc4)C[C@H]32)C1 ZINC001571243219 953263943 /nfs/dbraw/zinc/26/39/43/953263943.db2.gz ZSASOHYCDCPAIZ-APHBMKBZSA-N 1 2 384.444 -0.371 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[nH]n5)nc4)C[C@H]32)C1 ZINC001571243219 953263942 /nfs/dbraw/zinc/26/39/42/953263942.db2.gz ZSASOHYCDCPAIZ-APHBMKBZSA-N 1 2 384.444 -0.371 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[nH]n5)nc4)C[C@H]32)C1 ZINC001571243220 953264178 /nfs/dbraw/zinc/26/41/78/953264178.db2.gz ZSASOHYCDCPAIZ-MAZHCROVSA-N 1 2 384.444 -0.371 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[nH]n5)nc4)C[C@H]32)C1 ZINC001571243220 953264176 /nfs/dbraw/zinc/26/41/76/953264176.db2.gz ZSASOHYCDCPAIZ-MAZHCROVSA-N 1 2 384.444 -0.371 20 0 GBADLO O=C(CCN1CCOCC1)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571250312 953310137 /nfs/dbraw/zinc/31/01/37/953310137.db2.gz QPYOCQKUYKJAPA-KBPBESRZSA-N 1 2 384.444 -0.227 20 0 GBADLO O=C(NC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1)[C@@H]1CCC(=O)N1 ZINC001571259342 945384088 /nfs/dbraw/zinc/38/40/88/945384088.db2.gz LKVVUSAOCAVABS-CABCVRRESA-N 1 2 385.428 -0.538 20 0 GBADLO O=C(NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1)[C@@H]1CCC(=O)N1 ZINC001571259342 945384072 /nfs/dbraw/zinc/38/40/72/945384072.db2.gz LKVVUSAOCAVABS-CABCVRRESA-N 1 2 385.428 -0.538 20 0 GBADLO O=C(NC[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1)[C@@H]1CCC(=O)N1 ZINC001571259343 945383407 /nfs/dbraw/zinc/38/34/07/945383407.db2.gz LKVVUSAOCAVABS-GJZGRUSLSA-N 1 2 385.428 -0.538 20 0 GBADLO O=C(NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1)[C@@H]1CCC(=O)N1 ZINC001571259343 945383398 /nfs/dbraw/zinc/38/33/98/945383398.db2.gz LKVVUSAOCAVABS-GJZGRUSLSA-N 1 2 385.428 -0.538 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[nH]n2)C1 ZINC001571259490 945387787 /nfs/dbraw/zinc/38/77/87/945387787.db2.gz GXLLYZIBGFWASX-FRRDWIJNSA-N 1 2 385.432 -0.833 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[nH]n2)C1 ZINC001571259490 945387777 /nfs/dbraw/zinc/38/77/77/945387777.db2.gz GXLLYZIBGFWASX-FRRDWIJNSA-N 1 2 385.432 -0.833 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[nH]n2)C1 ZINC001571259491 945388685 /nfs/dbraw/zinc/38/86/85/945388685.db2.gz GXLLYZIBGFWASX-XQQFMLRXSA-N 1 2 385.432 -0.833 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[nH]n2)C1 ZINC001571259491 945388675 /nfs/dbraw/zinc/38/86/75/945388675.db2.gz GXLLYZIBGFWASX-XQQFMLRXSA-N 1 2 385.432 -0.833 20 0 GBADLO C[C@@H](c1nnnn1C)[NH+]1CCC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571259500 945388126 /nfs/dbraw/zinc/38/81/26/945388126.db2.gz HJGYFFHPVGLBOX-JTQLQIEISA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[NH+]1CCC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571259501 945389690 /nfs/dbraw/zinc/38/96/90/945389690.db2.gz HJGYFFHPVGLBOX-SNVBAGLBSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571259665 945393568 /nfs/dbraw/zinc/39/35/68/945393568.db2.gz JAHCFVJGFJDAIT-GHMZBOCLSA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571259665 945393557 /nfs/dbraw/zinc/39/35/57/945393557.db2.gz JAHCFVJGFJDAIT-GHMZBOCLSA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571259666 945394341 /nfs/dbraw/zinc/39/43/41/945394341.db2.gz JAHCFVJGFJDAIT-MNOVXSKESA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571259666 945394327 /nfs/dbraw/zinc/39/43/27/945394327.db2.gz JAHCFVJGFJDAIT-MNOVXSKESA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571259667 945394886 /nfs/dbraw/zinc/39/48/86/945394886.db2.gz JAHCFVJGFJDAIT-QWRGUYRKSA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571259667 945394877 /nfs/dbraw/zinc/39/48/77/945394877.db2.gz JAHCFVJGFJDAIT-QWRGUYRKSA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571259668 945392762 /nfs/dbraw/zinc/39/27/62/945392762.db2.gz JAHCFVJGFJDAIT-WDEREUQCSA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571259668 945392756 /nfs/dbraw/zinc/39/27/56/945392756.db2.gz JAHCFVJGFJDAIT-WDEREUQCSA-N 1 2 385.436 -0.127 20 0 GBADLO O[C@@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC001571259681 945395824 /nfs/dbraw/zinc/39/58/24/945395824.db2.gz JLEPWHCNPAVDOI-CYBMUJFWSA-N 1 2 385.432 -0.458 20 0 GBADLO O[C@@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC001571259681 945395818 /nfs/dbraw/zinc/39/58/18/945395818.db2.gz JLEPWHCNPAVDOI-CYBMUJFWSA-N 1 2 385.432 -0.458 20 0 GBADLO O[C@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC001571259682 945395848 /nfs/dbraw/zinc/39/58/48/945395848.db2.gz JLEPWHCNPAVDOI-ZDUSSCGKSA-N 1 2 385.432 -0.458 20 0 GBADLO O[C@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC001571259682 945395838 /nfs/dbraw/zinc/39/58/38/945395838.db2.gz JLEPWHCNPAVDOI-ZDUSSCGKSA-N 1 2 385.432 -0.458 20 0 GBADLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571259888 945401471 /nfs/dbraw/zinc/40/14/71/945401471.db2.gz MLFDTFFEHUFMKZ-LLVKDONJSA-N 1 2 385.436 -0.298 20 0 GBADLO Cn1nnnc1C[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571259888 945401461 /nfs/dbraw/zinc/40/14/61/945401461.db2.gz MLFDTFFEHUFMKZ-LLVKDONJSA-N 1 2 385.436 -0.298 20 0 GBADLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571259889 945401844 /nfs/dbraw/zinc/40/18/44/945401844.db2.gz MLFDTFFEHUFMKZ-NSHDSACASA-N 1 2 385.436 -0.298 20 0 GBADLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571259889 945401833 /nfs/dbraw/zinc/40/18/33/945401833.db2.gz MLFDTFFEHUFMKZ-NSHDSACASA-N 1 2 385.436 -0.298 20 0 GBADLO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1[C@@H]2CC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001571260016 945405988 /nfs/dbraw/zinc/40/59/88/945405988.db2.gz NATYORIVPSOWLG-BETUJISGSA-N 1 2 385.432 -0.491 20 0 GBADLO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1[C@@H]2CC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001571260016 945405985 /nfs/dbraw/zinc/40/59/85/945405985.db2.gz NATYORIVPSOWLG-BETUJISGSA-N 1 2 385.432 -0.491 20 0 GBADLO CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571260475 945416414 /nfs/dbraw/zinc/41/64/14/945416414.db2.gz UKIPXCNWRLTJLT-HUUCEWRRSA-N 1 2 385.432 -0.134 20 0 GBADLO CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571260475 945416411 /nfs/dbraw/zinc/41/64/11/945416411.db2.gz UKIPXCNWRLTJLT-HUUCEWRRSA-N 1 2 385.432 -0.134 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571260636 945420225 /nfs/dbraw/zinc/42/02/25/945420225.db2.gz XTSSDIOOSMSGBW-GHMZBOCLSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571260636 945420218 /nfs/dbraw/zinc/42/02/18/945420218.db2.gz XTSSDIOOSMSGBW-GHMZBOCLSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571260637 945420707 /nfs/dbraw/zinc/42/07/07/945420707.db2.gz XTSSDIOOSMSGBW-MNOVXSKESA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571260637 945420702 /nfs/dbraw/zinc/42/07/02/945420702.db2.gz XTSSDIOOSMSGBW-MNOVXSKESA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571260638 945421295 /nfs/dbraw/zinc/42/12/95/945421295.db2.gz XTSSDIOOSMSGBW-QWRGUYRKSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571260638 945421287 /nfs/dbraw/zinc/42/12/87/945421287.db2.gz XTSSDIOOSMSGBW-QWRGUYRKSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571260639 945420495 /nfs/dbraw/zinc/42/04/95/945420495.db2.gz XTSSDIOOSMSGBW-WDEREUQCSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571260639 945420482 /nfs/dbraw/zinc/42/04/82/945420482.db2.gz XTSSDIOOSMSGBW-WDEREUQCSA-N 1 2 385.436 -0.079 20 0 GBADLO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571267694 945577543 /nfs/dbraw/zinc/57/75/43/945577543.db2.gz BSVXKFKRSBUHMF-GFCCVEGCSA-N 1 2 386.395 -0.076 20 0 GBADLO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571267694 945577538 /nfs/dbraw/zinc/57/75/38/945577538.db2.gz BSVXKFKRSBUHMF-GFCCVEGCSA-N 1 2 386.395 -0.076 20 0 GBADLO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571267712 945577826 /nfs/dbraw/zinc/57/78/26/945577826.db2.gz CKHNFKQWTWVBRG-UKRRQHHQSA-N 1 2 386.391 -0.286 20 0 GBADLO Cn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571267712 945577817 /nfs/dbraw/zinc/57/78/17/945577817.db2.gz CKHNFKQWTWVBRG-UKRRQHHQSA-N 1 2 386.391 -0.286 20 0 GBADLO CN(C[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)c1nnn(C)n1 ZINC001571267714 945577240 /nfs/dbraw/zinc/57/72/40/945577240.db2.gz CMAFEBBVVNXMJT-LLVKDONJSA-N 1 2 386.395 -0.124 20 0 GBADLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)c1nnn(C)n1 ZINC001571267714 945577233 /nfs/dbraw/zinc/57/72/33/945577233.db2.gz CMAFEBBVVNXMJT-LLVKDONJSA-N 1 2 386.395 -0.124 20 0 GBADLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)c1nnn(C)n1 ZINC001571267715 945577718 /nfs/dbraw/zinc/57/77/18/945577718.db2.gz CMAFEBBVVNXMJT-NSHDSACASA-N 1 2 386.395 -0.124 20 0 GBADLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)c1nnn(C)n1 ZINC001571267715 945577713 /nfs/dbraw/zinc/57/77/13/945577713.db2.gz CMAFEBBVVNXMJT-NSHDSACASA-N 1 2 386.395 -0.124 20 0 GBADLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2O)c1 ZINC001571267879 945580603 /nfs/dbraw/zinc/58/06/03/945580603.db2.gz HJYNMRBZLBDOKH-HIFRSBDPSA-N 1 2 386.391 -0.286 20 0 GBADLO Cn1cnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2O)c1 ZINC001571267879 945580598 /nfs/dbraw/zinc/58/05/98/945580598.db2.gz HJYNMRBZLBDOKH-HIFRSBDPSA-N 1 2 386.391 -0.286 20 0 GBADLO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571267894 945580677 /nfs/dbraw/zinc/58/06/77/945580677.db2.gz HZSUGTKWVLLKJA-UKRRQHHQSA-N 1 2 386.391 -0.286 20 0 GBADLO Cn1cncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571267894 945580671 /nfs/dbraw/zinc/58/06/71/945580671.db2.gz HZSUGTKWVLLKJA-UKRRQHHQSA-N 1 2 386.391 -0.286 20 0 GBADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2O)cn1 ZINC001571268031 945586151 /nfs/dbraw/zinc/58/61/51/945586151.db2.gz LQNVYJGMTLWVBC-CABCVRRESA-N 1 2 386.391 -0.286 20 0 GBADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2O)cn1 ZINC001571268031 945586143 /nfs/dbraw/zinc/58/61/43/945586143.db2.gz LQNVYJGMTLWVBC-CABCVRRESA-N 1 2 386.391 -0.286 20 0 GBADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]2O)cn1 ZINC001571268032 945585395 /nfs/dbraw/zinc/58/53/95/945585395.db2.gz LQNVYJGMTLWVBC-HUUCEWRRSA-N 1 2 386.391 -0.286 20 0 GBADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]2O)cn1 ZINC001571268032 945585383 /nfs/dbraw/zinc/58/53/83/945585383.db2.gz LQNVYJGMTLWVBC-HUUCEWRRSA-N 1 2 386.391 -0.286 20 0 GBADLO Cn1[nH]c(C[N@@H+](C)C2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)nc1=O ZINC001571268138 945587339 /nfs/dbraw/zinc/58/73/39/945587339.db2.gz AZQQMRWBNXXWSR-UHFFFAOYSA-N 1 2 386.420 -0.647 20 0 GBADLO Cn1[nH]c(C[N@H+](C)C2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)nc1=O ZINC001571268138 945587331 /nfs/dbraw/zinc/58/73/31/945587331.db2.gz AZQQMRWBNXXWSR-UHFFFAOYSA-N 1 2 386.420 -0.647 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001571268214 945589568 /nfs/dbraw/zinc/58/95/68/945589568.db2.gz OLQCHNJUZFJBGV-CHWSQXEVSA-N 1 2 386.416 -0.753 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001571268214 945589560 /nfs/dbraw/zinc/58/95/60/945589560.db2.gz OLQCHNJUZFJBGV-CHWSQXEVSA-N 1 2 386.416 -0.753 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001571268215 945590317 /nfs/dbraw/zinc/59/03/17/945590317.db2.gz OLQCHNJUZFJBGV-OLZOCXBDSA-N 1 2 386.416 -0.753 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001571268215 945590314 /nfs/dbraw/zinc/59/03/14/945590314.db2.gz OLQCHNJUZFJBGV-OLZOCXBDSA-N 1 2 386.416 -0.753 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001571268216 945589344 /nfs/dbraw/zinc/58/93/44/945589344.db2.gz OLQCHNJUZFJBGV-QWHCGFSZSA-N 1 2 386.416 -0.753 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001571268216 945589338 /nfs/dbraw/zinc/58/93/38/945589338.db2.gz OLQCHNJUZFJBGV-QWHCGFSZSA-N 1 2 386.416 -0.753 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001571268217 945589374 /nfs/dbraw/zinc/58/93/74/945589374.db2.gz OLQCHNJUZFJBGV-STQMWFEESA-N 1 2 386.416 -0.753 20 0 GBADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001571268217 945589369 /nfs/dbraw/zinc/58/93/69/945589369.db2.gz OLQCHNJUZFJBGV-STQMWFEESA-N 1 2 386.416 -0.753 20 0 GBADLO Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1=O ZINC001571268397 945593626 /nfs/dbraw/zinc/59/36/26/945593626.db2.gz FTAOTSYZGPSHMW-JTQLQIEISA-N 1 2 386.420 -0.599 20 0 GBADLO Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1=O ZINC001571268398 945594116 /nfs/dbraw/zinc/59/41/16/945594116.db2.gz FTAOTSYZGPSHMW-SNVBAGLBSA-N 1 2 386.420 -0.599 20 0 GBADLO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001571268411 945596018 /nfs/dbraw/zinc/59/60/18/945596018.db2.gz RDQZYROUEJUXBZ-UKRRQHHQSA-N 1 2 386.391 -0.286 20 0 GBADLO Cn1cncc1C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001571268411 945596009 /nfs/dbraw/zinc/59/60/09/945596009.db2.gz RDQZYROUEJUXBZ-UKRRQHHQSA-N 1 2 386.391 -0.286 20 0 GBADLO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)n1 ZINC001571268444 945596044 /nfs/dbraw/zinc/59/60/44/945596044.db2.gz SFHSVGIYOZLWRT-GFCCVEGCSA-N 1 2 386.395 -0.076 20 0 GBADLO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)n1 ZINC001571268444 945596039 /nfs/dbraw/zinc/59/60/39/945596039.db2.gz SFHSVGIYOZLWRT-GFCCVEGCSA-N 1 2 386.395 -0.076 20 0 GBADLO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)n1 ZINC001571268445 945595331 /nfs/dbraw/zinc/59/53/31/945595331.db2.gz SFHSVGIYOZLWRT-LBPRGKRZSA-N 1 2 386.395 -0.076 20 0 GBADLO Cn1nnc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)n1 ZINC001571268445 945595322 /nfs/dbraw/zinc/59/53/22/945595322.db2.gz SFHSVGIYOZLWRT-LBPRGKRZSA-N 1 2 386.395 -0.076 20 0 GBADLO C[C@@H]1C[N@@H+](Cc2nn(C)c(=O)[nH]2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571268794 945603375 /nfs/dbraw/zinc/60/33/75/945603375.db2.gz KLQOCARGLYVWLN-MWLCHTKSSA-N 1 2 386.420 -0.886 20 0 GBADLO C[C@@H]1C[N@H+](Cc2nn(C)c(=O)[nH]2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571268794 945603366 /nfs/dbraw/zinc/60/33/66/945603366.db2.gz KLQOCARGLYVWLN-MWLCHTKSSA-N 1 2 386.420 -0.886 20 0 GBADLO Cn1[nH]c(C[NH+]2CCC(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)nc1=O ZINC001571268947 945607420 /nfs/dbraw/zinc/60/74/20/945607420.db2.gz LFWZIEWUXTYLFW-UHFFFAOYSA-N 1 2 386.420 -0.741 20 0 GBADLO Cn1nncc1C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571269044 945612138 /nfs/dbraw/zinc/61/21/38/945612138.db2.gz NBXCCQBBBYTGMD-GFCCVEGCSA-N 1 2 386.420 -0.656 20 0 GBADLO Cn1nncc1C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571269044 945612131 /nfs/dbraw/zinc/61/21/31/945612131.db2.gz NBXCCQBBBYTGMD-GFCCVEGCSA-N 1 2 386.420 -0.656 20 0 GBADLO Cn1nncc1C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571269045 945612457 /nfs/dbraw/zinc/61/24/57/945612457.db2.gz NBXCCQBBBYTGMD-LBPRGKRZSA-N 1 2 386.420 -0.656 20 0 GBADLO Cn1nncc1C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571269045 945612455 /nfs/dbraw/zinc/61/24/55/945612455.db2.gz NBXCCQBBBYTGMD-LBPRGKRZSA-N 1 2 386.420 -0.656 20 0 GBADLO Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2(C)C)nc1=O ZINC001571269223 945615520 /nfs/dbraw/zinc/61/55/20/945615520.db2.gz SNIHQAPADYEANC-LLVKDONJSA-N 1 2 386.420 -0.743 20 0 GBADLO Cn1[nH]c(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2(C)C)nc1=O ZINC001571269224 945614979 /nfs/dbraw/zinc/61/49/79/945614979.db2.gz SNIHQAPADYEANC-NSHDSACASA-N 1 2 386.420 -0.743 20 0 GBADLO Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)nc1=O ZINC001571269338 945617316 /nfs/dbraw/zinc/61/73/16/945617316.db2.gz VSRDEQXMZUGMMR-LLVKDONJSA-N 1 2 386.420 -0.599 20 0 GBADLO Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)nc1=O ZINC001571269339 945617835 /nfs/dbraw/zinc/61/78/35/945617835.db2.gz VSRDEQXMZUGMMR-NSHDSACASA-N 1 2 386.420 -0.599 20 0 GBADLO CCn1nncc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571269368 945618920 /nfs/dbraw/zinc/61/89/20/945618920.db2.gz WTBWDZVSFZSNHP-GXTWGEPZSA-N 1 2 386.420 -0.829 20 0 GBADLO CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571269368 945618914 /nfs/dbraw/zinc/61/89/14/945618914.db2.gz WTBWDZVSFZSNHP-GXTWGEPZSA-N 1 2 386.420 -0.829 20 0 GBADLO CCn1nncc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001571269369 945619576 /nfs/dbraw/zinc/61/95/76/945619576.db2.gz WTBWDZVSFZSNHP-JSGCOSHPSA-N 1 2 386.420 -0.829 20 0 GBADLO CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001571269369 945619572 /nfs/dbraw/zinc/61/95/72/945619572.db2.gz WTBWDZVSFZSNHP-JSGCOSHPSA-N 1 2 386.420 -0.829 20 0 GBADLO CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001571269370 945618890 /nfs/dbraw/zinc/61/88/90/945618890.db2.gz WTBWDZVSFZSNHP-OCCSQVGLSA-N 1 2 386.420 -0.829 20 0 GBADLO CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001571269370 945618886 /nfs/dbraw/zinc/61/88/86/945618886.db2.gz WTBWDZVSFZSNHP-OCCSQVGLSA-N 1 2 386.420 -0.829 20 0 GBADLO CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571269371 945619817 /nfs/dbraw/zinc/61/98/17/945619817.db2.gz WTBWDZVSFZSNHP-TZMCWYRMSA-N 1 2 386.420 -0.829 20 0 GBADLO CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571269371 945619813 /nfs/dbraw/zinc/61/98/13/945619813.db2.gz WTBWDZVSFZSNHP-TZMCWYRMSA-N 1 2 386.420 -0.829 20 0 GBADLO O=C(N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001571269372 945619446 /nfs/dbraw/zinc/61/94/46/945619446.db2.gz WTRKKHOAVFQBCD-UHFFFAOYSA-N 1 2 386.416 -0.612 20 0 GBADLO Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001571269917 945627732 /nfs/dbraw/zinc/62/77/32/945627732.db2.gz HTSWPNQGQSMREW-IEBDPFPHSA-N 1 2 386.445 -0.013 20 0 GBADLO Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001571269917 945627731 /nfs/dbraw/zinc/62/77/31/945627731.db2.gz HTSWPNQGQSMREW-IEBDPFPHSA-N 1 2 386.445 -0.013 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571272184 945656268 /nfs/dbraw/zinc/65/62/68/945656268.db2.gz AKCXQJMUCDPCOV-UHFFFAOYSA-N 1 2 386.460 -0.099 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571272184 945656263 /nfs/dbraw/zinc/65/62/63/945656263.db2.gz AKCXQJMUCDPCOV-UHFFFAOYSA-N 1 2 386.460 -0.099 20 0 GBADLO O=C(CCN1CCOCC1)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571272416 945662808 /nfs/dbraw/zinc/66/28/08/945662808.db2.gz DGNOKXRMRCXSGS-UHFFFAOYSA-N 1 2 386.460 -0.191 20 0 GBADLO O=C(CCN1CCOCC1)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571272983 945675931 /nfs/dbraw/zinc/67/59/31/945675931.db2.gz MDVMPEBVNNDGOW-AWEZNQCLSA-N 1 2 386.460 -0.191 20 0 GBADLO O=C(CCN1CCOCC1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571272984 945675679 /nfs/dbraw/zinc/67/56/79/945675679.db2.gz MDVMPEBVNNDGOW-CQSZACIVSA-N 1 2 386.460 -0.191 20 0 GBADLO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571274138 945694575 /nfs/dbraw/zinc/69/45/75/945694575.db2.gz CBYMLMPEQVELCR-COPLHBTASA-N 1 2 387.375 -0.101 20 0 GBADLO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571274138 945694571 /nfs/dbraw/zinc/69/45/71/945694571.db2.gz CBYMLMPEQVELCR-COPLHBTASA-N 1 2 387.375 -0.101 20 0 GBADLO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571274139 945694326 /nfs/dbraw/zinc/69/43/26/945694326.db2.gz CBYMLMPEQVELCR-MJVIPROJSA-N 1 2 387.375 -0.101 20 0 GBADLO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571274139 945694323 /nfs/dbraw/zinc/69/43/23/945694323.db2.gz CBYMLMPEQVELCR-MJVIPROJSA-N 1 2 387.375 -0.101 20 0 GBADLO O=C(Cc1ccon1)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571274308 945694842 /nfs/dbraw/zinc/69/48/42/945694842.db2.gz FRHPOAWXYORBJB-HUUCEWRRSA-N 1 2 387.375 -0.102 20 0 GBADLO O=C(Cc1ccon1)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571274308 945694837 /nfs/dbraw/zinc/69/48/37/945694837.db2.gz FRHPOAWXYORBJB-HUUCEWRRSA-N 1 2 387.375 -0.102 20 0 GBADLO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)c1nnc[nH]1 ZINC001571274337 945696389 /nfs/dbraw/zinc/69/63/89/945696389.db2.gz GBQOIEMOGARUFI-CHWSQXEVSA-N 1 2 387.379 -0.511 20 0 GBADLO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)c1nnc[nH]1 ZINC001571274337 945696385 /nfs/dbraw/zinc/69/63/85/945696385.db2.gz GBQOIEMOGARUFI-CHWSQXEVSA-N 1 2 387.379 -0.511 20 0 GBADLO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)c1nnc[nH]1 ZINC001571274340 945697694 /nfs/dbraw/zinc/69/76/94/945697694.db2.gz GBQOIEMOGARUFI-OLZOCXBDSA-N 1 2 387.379 -0.511 20 0 GBADLO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)c1nnc[nH]1 ZINC001571274340 945697691 /nfs/dbraw/zinc/69/76/91/945697691.db2.gz GBQOIEMOGARUFI-OLZOCXBDSA-N 1 2 387.379 -0.511 20 0 GBADLO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)c1nnc[nH]1 ZINC001571274342 945697375 /nfs/dbraw/zinc/69/73/75/945697375.db2.gz GBQOIEMOGARUFI-QWHCGFSZSA-N 1 2 387.379 -0.511 20 0 GBADLO O=C(N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)c1nnc[nH]1 ZINC001571274342 945697369 /nfs/dbraw/zinc/69/73/69/945697369.db2.gz GBQOIEMOGARUFI-QWHCGFSZSA-N 1 2 387.379 -0.511 20 0 GBADLO O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)c1nnc[nH]1 ZINC001571274344 945696403 /nfs/dbraw/zinc/69/64/03/945696403.db2.gz GBQOIEMOGARUFI-STQMWFEESA-N 1 2 387.379 -0.511 20 0 GBADLO O=C(N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)c1nnc[nH]1 ZINC001571274344 945696398 /nfs/dbraw/zinc/69/63/98/945696398.db2.gz GBQOIEMOGARUFI-STQMWFEESA-N 1 2 387.379 -0.511 20 0 GBADLO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571275483 945706768 /nfs/dbraw/zinc/70/67/68/945706768.db2.gz UWMHZTJNOOHCLB-TZMCWYRMSA-N 1 2 387.379 -0.891 20 0 GBADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]2O)nn1 ZINC001571275556 945708348 /nfs/dbraw/zinc/70/83/48/945708348.db2.gz WMWFKSAQHRUXCP-TZMCWYRMSA-N 1 2 387.379 -0.891 20 0 GBADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]2O)nn1 ZINC001571275556 945708338 /nfs/dbraw/zinc/70/83/38/945708338.db2.gz WMWFKSAQHRUXCP-TZMCWYRMSA-N 1 2 387.379 -0.891 20 0 GBADLO O=C(Cc1ccon1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571275634 945711191 /nfs/dbraw/zinc/71/11/91/945711191.db2.gz ZTSWMANTKJGKTE-HUUCEWRRSA-N 1 2 387.375 -0.102 20 0 GBADLO O=C(Cc1ccon1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001571275634 945711185 /nfs/dbraw/zinc/71/11/85/945711185.db2.gz ZTSWMANTKJGKTE-HUUCEWRRSA-N 1 2 387.375 -0.102 20 0 GBADLO C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCN1CCOCC1 ZINC001571275666 945712393 /nfs/dbraw/zinc/71/23/93/945712393.db2.gz AGBGVZXEGXNBQH-KBPBESRZSA-N 1 2 386.460 -0.193 20 0 GBADLO C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCN1CCOCC1 ZINC001571275667 945712251 /nfs/dbraw/zinc/71/22/51/945712251.db2.gz AGBGVZXEGXNBQH-KGLIPLIRSA-N 1 2 386.460 -0.193 20 0 GBADLO C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCN1CCOCC1 ZINC001571275668 945711647 /nfs/dbraw/zinc/71/16/47/945711647.db2.gz AGBGVZXEGXNBQH-UONOGXRCSA-N 1 2 386.460 -0.193 20 0 GBADLO C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCN1CCOCC1 ZINC001571275669 945712279 /nfs/dbraw/zinc/71/22/79/945712279.db2.gz AGBGVZXEGXNBQH-ZIAGYGMSSA-N 1 2 386.460 -0.193 20 0 GBADLO CCN1CCO[C@@H](C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571275808 945716848 /nfs/dbraw/zinc/71/68/48/945716848.db2.gz CWRSHIJOAYEEMJ-SEEARECTSA-N 1 2 386.460 -0.289 20 0 GBADLO CCN1CCO[C@H](C(=O)NC2CC(CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001571275809 945716959 /nfs/dbraw/zinc/71/69/59/945716959.db2.gz CWRSHIJOAYEEMJ-ZUEPYMLJSA-N 1 2 386.460 -0.289 20 0 GBADLO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCCO2)n1 ZINC001571276042 945723360 /nfs/dbraw/zinc/72/33/60/945723360.db2.gz CUYVFIMFNXNOQS-GFCCVEGCSA-N 1 2 387.404 -0.093 20 0 GBADLO Cc1noc(C[NH2+]C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCCO2)n1 ZINC001571276043 945723624 /nfs/dbraw/zinc/72/36/24/945723624.db2.gz CUYVFIMFNXNOQS-LBPRGKRZSA-N 1 2 387.404 -0.093 20 0 GBADLO COCc1noc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)n1 ZINC001571276158 945725684 /nfs/dbraw/zinc/72/56/84/945725684.db2.gz DFPKVXJMPORNEW-BXKDBHETSA-N 1 2 387.404 -0.026 20 0 GBADLO O=C(NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@@H]1COC(=O)N1 ZINC001571276218 945727052 /nfs/dbraw/zinc/72/70/52/945727052.db2.gz FPEWYNXFLKRDKT-KBPBESRZSA-N 1 2 387.400 -0.708 20 0 GBADLO O=C(NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@@H]1COC(=O)N1 ZINC001571276218 945727049 /nfs/dbraw/zinc/72/70/49/945727049.db2.gz FPEWYNXFLKRDKT-KBPBESRZSA-N 1 2 387.400 -0.708 20 0 GBADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@@H]1COC(=O)N1 ZINC001571276219 945726873 /nfs/dbraw/zinc/72/68/73/945726873.db2.gz FPEWYNXFLKRDKT-KGLIPLIRSA-N 1 2 387.400 -0.708 20 0 GBADLO O=C(NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@@H]1COC(=O)N1 ZINC001571276219 945726867 /nfs/dbraw/zinc/72/68/67/945726867.db2.gz FPEWYNXFLKRDKT-KGLIPLIRSA-N 1 2 387.400 -0.708 20 0 GBADLO O=C(NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@H]1COC(=O)N1 ZINC001571276220 945728001 /nfs/dbraw/zinc/72/80/01/945728001.db2.gz FPEWYNXFLKRDKT-UONOGXRCSA-N 1 2 387.400 -0.708 20 0 GBADLO O=C(NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@H]1COC(=O)N1 ZINC001571276220 945727996 /nfs/dbraw/zinc/72/79/96/945727996.db2.gz FPEWYNXFLKRDKT-UONOGXRCSA-N 1 2 387.400 -0.708 20 0 GBADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@H]1COC(=O)N1 ZINC001571276221 945728593 /nfs/dbraw/zinc/72/85/93/945728593.db2.gz FPEWYNXFLKRDKT-ZIAGYGMSSA-N 1 2 387.400 -0.708 20 0 GBADLO O=C(NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@H]1COC(=O)N1 ZINC001571276221 945728585 /nfs/dbraw/zinc/72/85/85/945728585.db2.gz FPEWYNXFLKRDKT-ZIAGYGMSSA-N 1 2 387.400 -0.708 20 0 GBADLO COCCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)no1 ZINC001571276261 945730161 /nfs/dbraw/zinc/73/01/61/945730161.db2.gz GGXAMKSQEZMHKO-XYPYZODXSA-N 1 2 387.404 -0.183 20 0 GBADLO COCCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)no1 ZINC001571277008 945738741 /nfs/dbraw/zinc/73/87/41/945738741.db2.gz MPEFVQBJHLSKBO-PHIMTYICSA-N 1 2 387.404 -0.183 20 0 GBADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1O ZINC001571278540 945755039 /nfs/dbraw/zinc/75/50/39/945755039.db2.gz PHDIWUUOZYDLOV-FVQBIDKESA-N 1 2 386.460 -0.200 20 0 GBADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1O ZINC001571278540 945755033 /nfs/dbraw/zinc/75/50/33/945755033.db2.gz PHDIWUUOZYDLOV-FVQBIDKESA-N 1 2 386.460 -0.200 20 0 GBADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001571278540 945755027 /nfs/dbraw/zinc/75/50/27/945755027.db2.gz PHDIWUUOZYDLOV-FVQBIDKESA-N 1 2 386.460 -0.200 20 0 GBADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001571278540 945755019 /nfs/dbraw/zinc/75/50/19/945755019.db2.gz PHDIWUUOZYDLOV-FVQBIDKESA-N 1 2 386.460 -0.200 20 0 GBADLO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1O ZINC001571278541 945756663 /nfs/dbraw/zinc/75/66/63/945756663.db2.gz PHDIWUUOZYDLOV-VNQPRFMTSA-N 1 2 386.460 -0.200 20 0 GBADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1O ZINC001571278541 945756658 /nfs/dbraw/zinc/75/66/58/945756658.db2.gz PHDIWUUOZYDLOV-VNQPRFMTSA-N 1 2 386.460 -0.200 20 0 GBADLO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001571278541 945756652 /nfs/dbraw/zinc/75/66/52/945756652.db2.gz PHDIWUUOZYDLOV-VNQPRFMTSA-N 1 2 386.460 -0.200 20 0 GBADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001571278541 945756644 /nfs/dbraw/zinc/75/66/44/945756644.db2.gz PHDIWUUOZYDLOV-VNQPRFMTSA-N 1 2 386.460 -0.200 20 0 GBADLO CN(C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1)c1nccnc1-c1nn[nH]n1 ZINC001571281893 945820158 /nfs/dbraw/zinc/82/01/58/945820158.db2.gz BNFANTJMXUCQLW-CHWSQXEVSA-N 1 2 387.448 -0.728 20 0 GBADLO CN(C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1)c1nccnc1-c1nn[nH]n1 ZINC001571281893 945820151 /nfs/dbraw/zinc/82/01/51/945820151.db2.gz BNFANTJMXUCQLW-CHWSQXEVSA-N 1 2 387.448 -0.728 20 0 GBADLO CN(C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1)c1nccnc1-c1nn[nH]n1 ZINC001571281896 945819509 /nfs/dbraw/zinc/81/95/09/945819509.db2.gz BNFANTJMXUCQLW-OLZOCXBDSA-N 1 2 387.448 -0.728 20 0 GBADLO CN(C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1)c1nccnc1-c1nn[nH]n1 ZINC001571281896 945819502 /nfs/dbraw/zinc/81/95/02/945819502.db2.gz BNFANTJMXUCQLW-OLZOCXBDSA-N 1 2 387.448 -0.728 20 0 GBADLO CN(C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1)c1nccnc1-c1nn[nH]n1 ZINC001571281898 945820816 /nfs/dbraw/zinc/82/08/16/945820816.db2.gz BNFANTJMXUCQLW-QWHCGFSZSA-N 1 2 387.448 -0.728 20 0 GBADLO CN(C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1)c1nccnc1-c1nn[nH]n1 ZINC001571281898 945820806 /nfs/dbraw/zinc/82/08/06/945820806.db2.gz BNFANTJMXUCQLW-QWHCGFSZSA-N 1 2 387.448 -0.728 20 0 GBADLO CN(C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1)c1nccnc1-c1nn[nH]n1 ZINC001571281900 945820390 /nfs/dbraw/zinc/82/03/90/945820390.db2.gz BNFANTJMXUCQLW-STQMWFEESA-N 1 2 387.448 -0.728 20 0 GBADLO CN(C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1)c1nccnc1-c1nn[nH]n1 ZINC001571281900 945820367 /nfs/dbraw/zinc/82/03/67/945820367.db2.gz BNFANTJMXUCQLW-STQMWFEESA-N 1 2 387.448 -0.728 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ccc(-c4nn[nH]n4)nn3)C(C)(C)C2)C1 ZINC001571281953 945820538 /nfs/dbraw/zinc/82/05/38/945820538.db2.gz CCGZOAHYVWHUHE-CHWSQXEVSA-N 1 2 387.448 -0.364 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](Nc3ccc(-c4nn[nH]n4)nn3)C(C)(C)C2)C1 ZINC001571281953 945820527 /nfs/dbraw/zinc/82/05/27/945820527.db2.gz CCGZOAHYVWHUHE-CHWSQXEVSA-N 1 2 387.448 -0.364 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ccc(-c4nn[nH]n4)nn3)C(C)(C)C2)C1 ZINC001571281955 945820774 /nfs/dbraw/zinc/82/07/74/945820774.db2.gz CCGZOAHYVWHUHE-OLZOCXBDSA-N 1 2 387.448 -0.364 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H](Nc3ccc(-c4nn[nH]n4)nn3)C(C)(C)C2)C1 ZINC001571281955 945820763 /nfs/dbraw/zinc/82/07/63/945820763.db2.gz CCGZOAHYVWHUHE-OLZOCXBDSA-N 1 2 387.448 -0.364 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ccc(-c4nn[nH]n4)nn3)C(C)(C)C2)C1 ZINC001571281956 945821592 /nfs/dbraw/zinc/82/15/92/945821592.db2.gz CCGZOAHYVWHUHE-QWHCGFSZSA-N 1 2 387.448 -0.364 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](Nc3ccc(-c4nn[nH]n4)nn3)C(C)(C)C2)C1 ZINC001571281956 945821579 /nfs/dbraw/zinc/82/15/79/945821579.db2.gz CCGZOAHYVWHUHE-QWHCGFSZSA-N 1 2 387.448 -0.364 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ccc(-c4nn[nH]n4)nn3)C(C)(C)C2)C1 ZINC001571281957 945819796 /nfs/dbraw/zinc/81/97/96/945819796.db2.gz CCGZOAHYVWHUHE-STQMWFEESA-N 1 2 387.448 -0.364 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](Nc3ccc(-c4nn[nH]n4)nn3)C(C)(C)C2)C1 ZINC001571281957 945819781 /nfs/dbraw/zinc/81/97/81/945819781.db2.gz CCGZOAHYVWHUHE-STQMWFEESA-N 1 2 387.448 -0.364 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001571281961 945822323 /nfs/dbraw/zinc/82/23/23/945822323.db2.gz CEOQIFYMOAPOMT-AWEZNQCLSA-N 1 2 387.448 -0.584 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001571281961 945822312 /nfs/dbraw/zinc/82/23/12/945822312.db2.gz CEOQIFYMOAPOMT-AWEZNQCLSA-N 1 2 387.448 -0.584 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001571281962 945824864 /nfs/dbraw/zinc/82/48/64/945824864.db2.gz CEOQIFYMOAPOMT-CQSZACIVSA-N 1 2 387.448 -0.584 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001571281962 945824850 /nfs/dbraw/zinc/82/48/50/945824850.db2.gz CEOQIFYMOAPOMT-CQSZACIVSA-N 1 2 387.448 -0.584 20 0 GBADLO O=C(CC[NH+]1CCOCC1)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571281964 945823910 /nfs/dbraw/zinc/82/39/10/945823910.db2.gz CGSHIJFIGNCVNJ-UHFFFAOYSA-N 1 2 387.448 -0.582 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282024 945824235 /nfs/dbraw/zinc/82/42/35/945824235.db2.gz CIGGBQXBFKCWRY-GXTWGEPZSA-N 1 2 387.448 -0.362 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282024 945824226 /nfs/dbraw/zinc/82/42/26/945824226.db2.gz CIGGBQXBFKCWRY-GXTWGEPZSA-N 1 2 387.448 -0.362 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282026 945822138 /nfs/dbraw/zinc/82/21/38/945822138.db2.gz CIGGBQXBFKCWRY-JSGCOSHPSA-N 1 2 387.448 -0.362 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282026 945822123 /nfs/dbraw/zinc/82/21/23/945822123.db2.gz CIGGBQXBFKCWRY-JSGCOSHPSA-N 1 2 387.448 -0.362 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282028 945823607 /nfs/dbraw/zinc/82/36/07/945823607.db2.gz CIGGBQXBFKCWRY-OCCSQVGLSA-N 1 2 387.448 -0.362 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282028 945823582 /nfs/dbraw/zinc/82/35/82/945823582.db2.gz CIGGBQXBFKCWRY-OCCSQVGLSA-N 1 2 387.448 -0.362 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282030 945823690 /nfs/dbraw/zinc/82/36/90/945823690.db2.gz CIGGBQXBFKCWRY-TZMCWYRMSA-N 1 2 387.448 -0.362 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282030 945823677 /nfs/dbraw/zinc/82/36/77/945823677.db2.gz CIGGBQXBFKCWRY-TZMCWYRMSA-N 1 2 387.448 -0.362 20 0 GBADLO CN(c1ccc(-c2nn[nH]n2)nn1)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001571282039 945826121 /nfs/dbraw/zinc/82/61/21/945826121.db2.gz CKFCHIJBGWRCKJ-GXTWGEPZSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(c1ccc(-c2nn[nH]n2)nn1)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001571282039 945826111 /nfs/dbraw/zinc/82/61/11/945826111.db2.gz CKFCHIJBGWRCKJ-GXTWGEPZSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(c1ccc(-c2nn[nH]n2)nn1)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001571282041 945827788 /nfs/dbraw/zinc/82/77/88/945827788.db2.gz CKFCHIJBGWRCKJ-JSGCOSHPSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(c1ccc(-c2nn[nH]n2)nn1)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001571282041 945827773 /nfs/dbraw/zinc/82/77/73/945827773.db2.gz CKFCHIJBGWRCKJ-JSGCOSHPSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(c1ccc(-c2nn[nH]n2)nn1)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001571282043 945826914 /nfs/dbraw/zinc/82/69/14/945826914.db2.gz CKFCHIJBGWRCKJ-OCCSQVGLSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(c1ccc(-c2nn[nH]n2)nn1)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001571282043 945826900 /nfs/dbraw/zinc/82/69/00/945826900.db2.gz CKFCHIJBGWRCKJ-OCCSQVGLSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(c1ccc(-c2nn[nH]n2)nn1)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001571282045 945829073 /nfs/dbraw/zinc/82/90/73/945829073.db2.gz CKFCHIJBGWRCKJ-TZMCWYRMSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(c1ccc(-c2nn[nH]n2)nn1)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001571282045 945829059 /nfs/dbraw/zinc/82/90/59/945829059.db2.gz CKFCHIJBGWRCKJ-TZMCWYRMSA-N 1 2 387.448 -0.586 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282120 945830303 /nfs/dbraw/zinc/83/03/03/945830303.db2.gz DERCDXWTZXNWTD-OUCADQQQSA-N 1 2 387.448 -0.316 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282120 945830288 /nfs/dbraw/zinc/83/02/88/945830288.db2.gz DERCDXWTZXNWTD-OUCADQQQSA-N 1 2 387.448 -0.316 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282121 945831531 /nfs/dbraw/zinc/83/15/31/945831531.db2.gz DERCDXWTZXNWTD-SCRDCRAPSA-N 1 2 387.448 -0.316 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571282121 945831523 /nfs/dbraw/zinc/83/15/23/945831523.db2.gz DERCDXWTZXNWTD-SCRDCRAPSA-N 1 2 387.448 -0.316 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001571282136 945830005 /nfs/dbraw/zinc/83/00/05/945830005.db2.gz DXCIXAVQRHMBOL-CYBMUJFWSA-N 1 2 387.448 -0.220 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001571282136 945829993 /nfs/dbraw/zinc/82/99/93/945829993.db2.gz DXCIXAVQRHMBOL-CYBMUJFWSA-N 1 2 387.448 -0.220 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N2CCC(Nc3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001571282137 945829902 /nfs/dbraw/zinc/82/99/02/945829902.db2.gz DXCIXAVQRHMBOL-ZDUSSCGKSA-N 1 2 387.448 -0.220 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(Nc3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001571282137 945829891 /nfs/dbraw/zinc/82/98/91/945829891.db2.gz DXCIXAVQRHMBOL-ZDUSSCGKSA-N 1 2 387.448 -0.220 20 0 GBADLO Cc1cc(-c2nn[nH]n2)nc(N[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001571282151 945832443 /nfs/dbraw/zinc/83/24/43/945832443.db2.gz FHIMLVOBFCIZLJ-CYBMUJFWSA-N 1 2 387.448 -0.300 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)[C@@H]2C)C1 ZINC001571282159 945832859 /nfs/dbraw/zinc/83/28/59/945832859.db2.gz FJLJHNATNSATIZ-DYEKYZERSA-N 1 2 387.448 -0.539 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)[C@@H]2C)C1 ZINC001571282159 945832850 /nfs/dbraw/zinc/83/28/50/945832850.db2.gz FJLJHNATNSATIZ-DYEKYZERSA-N 1 2 387.448 -0.539 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)[C@@H]2C)C1 ZINC001571282160 945831192 /nfs/dbraw/zinc/83/11/92/945831192.db2.gz FJLJHNATNSATIZ-MBNYWOFBSA-N 1 2 387.448 -0.539 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)[C@@H]2C)C1 ZINC001571282160 945831176 /nfs/dbraw/zinc/83/11/76/945831176.db2.gz FJLJHNATNSATIZ-MBNYWOFBSA-N 1 2 387.448 -0.539 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3nccnc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571282281 945837375 /nfs/dbraw/zinc/83/73/75/945837375.db2.gz FYDVCVRFSGYZHJ-NEPJUHHUSA-N 1 2 387.448 -0.682 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(c3nccnc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571282281 945837370 /nfs/dbraw/zinc/83/73/70/945837370.db2.gz FYDVCVRFSGYZHJ-NEPJUHHUSA-N 1 2 387.448 -0.682 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571282282 945839131 /nfs/dbraw/zinc/83/91/31/945839131.db2.gz FYDVCVRFSGYZHJ-NWDGAFQWSA-N 1 2 387.448 -0.682 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571282282 945839123 /nfs/dbraw/zinc/83/91/23/945839123.db2.gz FYDVCVRFSGYZHJ-NWDGAFQWSA-N 1 2 387.448 -0.682 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3nccnc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571282283 945839694 /nfs/dbraw/zinc/83/96/94/945839694.db2.gz FYDVCVRFSGYZHJ-RYUDHWBXSA-N 1 2 387.448 -0.682 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(c3nccnc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571282283 945839682 /nfs/dbraw/zinc/83/96/82/945839682.db2.gz FYDVCVRFSGYZHJ-RYUDHWBXSA-N 1 2 387.448 -0.682 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571282284 945839468 /nfs/dbraw/zinc/83/94/68/945839468.db2.gz FYDVCVRFSGYZHJ-VXGBXAGGSA-N 1 2 387.448 -0.682 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571282284 945839449 /nfs/dbraw/zinc/83/94/49/945839449.db2.gz FYDVCVRFSGYZHJ-VXGBXAGGSA-N 1 2 387.448 -0.682 20 0 GBADLO O=C(CC[NH+]1CCOCC1)N1CCC[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571282292 945837974 /nfs/dbraw/zinc/83/79/74/945837974.db2.gz GHCCNHUIZBXYDZ-CYBMUJFWSA-N 1 2 387.448 -0.218 20 0 GBADLO O=C(CC[NH+]1CCOCC1)N1CCC[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571282293 945837596 /nfs/dbraw/zinc/83/75/96/945837596.db2.gz GHCCNHUIZBXYDZ-ZDUSSCGKSA-N 1 2 387.448 -0.218 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282307 945837500 /nfs/dbraw/zinc/83/75/00/945837500.db2.gz GSOKVDBHGTYERC-CHWSQXEVSA-N 1 2 387.448 -0.680 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282308 945839031 /nfs/dbraw/zinc/83/90/31/945839031.db2.gz GSOKVDBHGTYERC-OLZOCXBDSA-N 1 2 387.448 -0.680 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282309 945839939 /nfs/dbraw/zinc/83/99/39/945839939.db2.gz GSOKVDBHGTYERC-QWHCGFSZSA-N 1 2 387.448 -0.680 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282310 945838265 /nfs/dbraw/zinc/83/82/65/945838265.db2.gz GSOKVDBHGTYERC-STQMWFEESA-N 1 2 387.448 -0.680 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001571282338 945840069 /nfs/dbraw/zinc/84/00/69/945840069.db2.gz HTLORQRXHVJLPZ-GXTWGEPZSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001571282339 945839232 /nfs/dbraw/zinc/83/92/32/945839232.db2.gz HTLORQRXHVJLPZ-JSGCOSHPSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571282360 945841013 /nfs/dbraw/zinc/84/10/13/945841013.db2.gz IOAKHPQJEVOFCX-AWEZNQCLSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571282360 945841004 /nfs/dbraw/zinc/84/10/04/945841004.db2.gz IOAKHPQJEVOFCX-AWEZNQCLSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571282361 945842189 /nfs/dbraw/zinc/84/21/89/945842189.db2.gz IOAKHPQJEVOFCX-CQSZACIVSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571282361 945842175 /nfs/dbraw/zinc/84/21/75/945842175.db2.gz IOAKHPQJEVOFCX-CQSZACIVSA-N 1 2 387.448 -0.538 20 0 GBADLO O=C(CC[NH+]1CCOCC1)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571282506 945846484 /nfs/dbraw/zinc/84/64/84/945846484.db2.gz JAWXSKPWQDEUGG-ZDUSSCGKSA-N 1 2 387.448 -0.796 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571282516 945846073 /nfs/dbraw/zinc/84/60/73/945846073.db2.gz JJSTWCCYQGOLMZ-GXTWGEPZSA-N 1 2 387.448 -0.220 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571282516 945846057 /nfs/dbraw/zinc/84/60/57/945846057.db2.gz JJSTWCCYQGOLMZ-GXTWGEPZSA-N 1 2 387.448 -0.220 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571282517 945847772 /nfs/dbraw/zinc/84/77/72/945847772.db2.gz JJSTWCCYQGOLMZ-JSGCOSHPSA-N 1 2 387.448 -0.220 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571282517 945847757 /nfs/dbraw/zinc/84/77/57/945847757.db2.gz JJSTWCCYQGOLMZ-JSGCOSHPSA-N 1 2 387.448 -0.220 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571282518 945849915 /nfs/dbraw/zinc/84/99/15/945849915.db2.gz JJSTWCCYQGOLMZ-OCCSQVGLSA-N 1 2 387.448 -0.220 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571282518 945849904 /nfs/dbraw/zinc/84/99/04/945849904.db2.gz JJSTWCCYQGOLMZ-OCCSQVGLSA-N 1 2 387.448 -0.220 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571282519 945851223 /nfs/dbraw/zinc/85/12/23/945851223.db2.gz JJSTWCCYQGOLMZ-TZMCWYRMSA-N 1 2 387.448 -0.220 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001571282519 945851214 /nfs/dbraw/zinc/85/12/14/945851214.db2.gz JJSTWCCYQGOLMZ-TZMCWYRMSA-N 1 2 387.448 -0.220 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001571282565 945849459 /nfs/dbraw/zinc/84/94/59/945849459.db2.gz KRDLOUONHAAPDM-AVGNSLFASA-N 1 2 387.448 -0.173 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001571282565 945849446 /nfs/dbraw/zinc/84/94/46/945849446.db2.gz KRDLOUONHAAPDM-AVGNSLFASA-N 1 2 387.448 -0.173 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001571282566 945851619 /nfs/dbraw/zinc/85/16/19/945851619.db2.gz KRDLOUONHAAPDM-JHJVBQTASA-N 1 2 387.448 -0.173 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001571282566 945851603 /nfs/dbraw/zinc/85/16/03/945851603.db2.gz KRDLOUONHAAPDM-JHJVBQTASA-N 1 2 387.448 -0.173 20 0 GBADLO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001571282585 945849347 /nfs/dbraw/zinc/84/93/47/945849347.db2.gz LHMUKHJCLHLSSU-CHWSQXEVSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001571282585 945849332 /nfs/dbraw/zinc/84/93/32/945849332.db2.gz LHMUKHJCLHLSSU-CHWSQXEVSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001571282586 945848804 /nfs/dbraw/zinc/84/88/04/945848804.db2.gz LHMUKHJCLHLSSU-QWHCGFSZSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001571282586 945848791 /nfs/dbraw/zinc/84/87/91/945848791.db2.gz LHMUKHJCLHLSSU-QWHCGFSZSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571282616 945853957 /nfs/dbraw/zinc/85/39/57/945853957.db2.gz LYFNEIPRKNWAED-OCCSQVGLSA-N 1 2 387.448 -0.220 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571282616 945853940 /nfs/dbraw/zinc/85/39/40/945853940.db2.gz LYFNEIPRKNWAED-OCCSQVGLSA-N 1 2 387.448 -0.220 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571282617 945852843 /nfs/dbraw/zinc/85/28/43/945852843.db2.gz LYFNEIPRKNWAED-TZMCWYRMSA-N 1 2 387.448 -0.220 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571282617 945852823 /nfs/dbraw/zinc/85/28/23/945852823.db2.gz LYFNEIPRKNWAED-TZMCWYRMSA-N 1 2 387.448 -0.220 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571282676 945856141 /nfs/dbraw/zinc/85/61/41/945856141.db2.gz NPCRRINECNCLFF-CHWSQXEVSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571282676 945856126 /nfs/dbraw/zinc/85/61/26/945856126.db2.gz NPCRRINECNCLFF-CHWSQXEVSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571282677 945855384 /nfs/dbraw/zinc/85/53/84/945855384.db2.gz NPCRRINECNCLFF-OLZOCXBDSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571282677 945855369 /nfs/dbraw/zinc/85/53/69/945855369.db2.gz NPCRRINECNCLFF-OLZOCXBDSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571282678 945860147 /nfs/dbraw/zinc/86/01/47/945860147.db2.gz NPCRRINECNCLFF-QWHCGFSZSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571282678 945860137 /nfs/dbraw/zinc/86/01/37/945860137.db2.gz NPCRRINECNCLFF-QWHCGFSZSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571282679 945858011 /nfs/dbraw/zinc/85/80/11/945858011.db2.gz NPCRRINECNCLFF-STQMWFEESA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571282679 945858002 /nfs/dbraw/zinc/85/80/02/945858002.db2.gz NPCRRINECNCLFF-STQMWFEESA-N 1 2 387.448 -0.538 20 0 GBADLO Cc1cc(-c2nn[nH]n2)nc(NC2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001571282762 945861143 /nfs/dbraw/zinc/86/11/43/945861143.db2.gz QDFAZJYCZBGNMZ-ORHYLEIMSA-N 1 2 387.448 -0.303 20 0 GBADLO Cc1cc(-c2nn[nH]n2)nc(NC2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001571282762 945861135 /nfs/dbraw/zinc/86/11/35/945861135.db2.gz QDFAZJYCZBGNMZ-ORHYLEIMSA-N 1 2 387.448 -0.303 20 0 GBADLO Cc1cc(-c2nn[nH]n2)nc(NC2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001571282763 945863083 /nfs/dbraw/zinc/86/30/83/945863083.db2.gz QDFAZJYCZBGNMZ-YIZWMMSDSA-N 1 2 387.448 -0.303 20 0 GBADLO Cc1cc(-c2nn[nH]n2)nc(NC2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001571282763 945863065 /nfs/dbraw/zinc/86/30/65/945863065.db2.gz QDFAZJYCZBGNMZ-YIZWMMSDSA-N 1 2 387.448 -0.303 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282831 945862631 /nfs/dbraw/zinc/86/26/31/945862631.db2.gz SIQPLIPXBMNSKX-PXAZEXFGSA-N 1 2 387.448 -0.362 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282831 945862616 /nfs/dbraw/zinc/86/26/16/945862616.db2.gz SIQPLIPXBMNSKX-PXAZEXFGSA-N 1 2 387.448 -0.362 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282832 945862479 /nfs/dbraw/zinc/86/24/79/945862479.db2.gz SIQPLIPXBMNSKX-SJCJKPOMSA-N 1 2 387.448 -0.362 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282832 945862467 /nfs/dbraw/zinc/86/24/67/945862467.db2.gz SIQPLIPXBMNSKX-SJCJKPOMSA-N 1 2 387.448 -0.362 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282833 945863988 /nfs/dbraw/zinc/86/39/88/945863988.db2.gz SIQPLIPXBMNSKX-SJKOYZFVSA-N 1 2 387.448 -0.362 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282833 945863972 /nfs/dbraw/zinc/86/39/72/945863972.db2.gz SIQPLIPXBMNSKX-SJKOYZFVSA-N 1 2 387.448 -0.362 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282834 945862259 /nfs/dbraw/zinc/86/22/59/945862259.db2.gz SIQPLIPXBMNSKX-YVEFUNNKSA-N 1 2 387.448 -0.362 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001571282834 945862245 /nfs/dbraw/zinc/86/22/45/945862245.db2.gz SIQPLIPXBMNSKX-YVEFUNNKSA-N 1 2 387.448 -0.362 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cnc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001571282845 945865633 /nfs/dbraw/zinc/86/56/33/945865633.db2.gz SQSVUGNCXIFFEB-GXTWGEPZSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cnc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001571282846 945867329 /nfs/dbraw/zinc/86/73/29/945867329.db2.gz SQSVUGNCXIFFEB-JSGCOSHPSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001571282847 945865770 /nfs/dbraw/zinc/86/57/70/945865770.db2.gz SQSVUGNCXIFFEB-OCCSQVGLSA-N 1 2 387.448 -0.538 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001571282848 945865040 /nfs/dbraw/zinc/86/50/40/945865040.db2.gz SQSVUGNCXIFFEB-TZMCWYRMSA-N 1 2 387.448 -0.538 20 0 GBADLO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Nc1cnc(-c2nn[nH]n2)cn1 ZINC001571282917 945865692 /nfs/dbraw/zinc/86/56/92/945865692.db2.gz VRTDBTCFHMPRBD-TZMCWYRMSA-N 1 2 387.448 -0.362 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001571282926 945868344 /nfs/dbraw/zinc/86/83/44/945868344.db2.gz VXVSMAKHPOMJLK-CYBMUJFWSA-N 1 2 387.448 -0.220 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(Nc3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001571282926 945868324 /nfs/dbraw/zinc/86/83/24/945868324.db2.gz VXVSMAKHPOMJLK-CYBMUJFWSA-N 1 2 387.448 -0.220 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001571282927 945870285 /nfs/dbraw/zinc/87/02/85/945870285.db2.gz VXVSMAKHPOMJLK-ZDUSSCGKSA-N 1 2 387.448 -0.220 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(Nc3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001571282927 945870272 /nfs/dbraw/zinc/87/02/72/945870272.db2.gz VXVSMAKHPOMJLK-ZDUSSCGKSA-N 1 2 387.448 -0.220 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571282938 945869792 /nfs/dbraw/zinc/86/97/92/945869792.db2.gz WGFVNTXOASYHEZ-PXAZEXFGSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571282938 945869784 /nfs/dbraw/zinc/86/97/84/945869784.db2.gz WGFVNTXOASYHEZ-PXAZEXFGSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571282939 945869023 /nfs/dbraw/zinc/86/90/23/945869023.db2.gz WGFVNTXOASYHEZ-SJCJKPOMSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571282939 945869014 /nfs/dbraw/zinc/86/90/14/945869014.db2.gz WGFVNTXOASYHEZ-SJCJKPOMSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571282940 945868208 /nfs/dbraw/zinc/86/82/08/945868208.db2.gz WGFVNTXOASYHEZ-SJKOYZFVSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571282940 945868192 /nfs/dbraw/zinc/86/81/92/945868192.db2.gz WGFVNTXOASYHEZ-SJKOYZFVSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571282941 945869944 /nfs/dbraw/zinc/86/99/44/945869944.db2.gz WGFVNTXOASYHEZ-YVEFUNNKSA-N 1 2 387.448 -0.538 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571282941 945869937 /nfs/dbraw/zinc/86/99/37/945869937.db2.gz WGFVNTXOASYHEZ-YVEFUNNKSA-N 1 2 387.448 -0.538 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571282974 945868258 /nfs/dbraw/zinc/86/82/58/945868258.db2.gz WZSXZKBZQLOIQC-CYBMUJFWSA-N 1 2 387.448 -0.726 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571282975 945870703 /nfs/dbraw/zinc/87/07/03/945870703.db2.gz WZSXZKBZQLOIQC-ZDUSSCGKSA-N 1 2 387.448 -0.726 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[nH]n4)n3)C2)C1 ZINC001571283043 945873448 /nfs/dbraw/zinc/87/34/48/945873448.db2.gz YLLXSGSNFWGSMH-GXTWGEPZSA-N 1 2 387.448 -0.619 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[nH]n4)n3)C2)C1 ZINC001571283043 945873436 /nfs/dbraw/zinc/87/34/36/945873436.db2.gz YLLXSGSNFWGSMH-GXTWGEPZSA-N 1 2 387.448 -0.619 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[nH]n4)n3)C2)C1 ZINC001571283044 945871547 /nfs/dbraw/zinc/87/15/47/945871547.db2.gz YLLXSGSNFWGSMH-JSGCOSHPSA-N 1 2 387.448 -0.619 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[nH]n4)n3)C2)C1 ZINC001571283044 945871535 /nfs/dbraw/zinc/87/15/35/945871535.db2.gz YLLXSGSNFWGSMH-JSGCOSHPSA-N 1 2 387.448 -0.619 20 0 GBADLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001571283062 945872945 /nfs/dbraw/zinc/87/29/45/945872945.db2.gz YPUSOGXLTAONGH-GXTWGEPZSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001571283062 945872921 /nfs/dbraw/zinc/87/29/21/945872921.db2.gz YPUSOGXLTAONGH-GXTWGEPZSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001571283063 945872311 /nfs/dbraw/zinc/87/23/11/945872311.db2.gz YPUSOGXLTAONGH-JSGCOSHPSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001571283063 945872297 /nfs/dbraw/zinc/87/22/97/945872297.db2.gz YPUSOGXLTAONGH-JSGCOSHPSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001571283064 945871727 /nfs/dbraw/zinc/87/17/27/945871727.db2.gz YPUSOGXLTAONGH-OCCSQVGLSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001571283064 945871704 /nfs/dbraw/zinc/87/17/04/945871704.db2.gz YPUSOGXLTAONGH-OCCSQVGLSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001571283065 945873054 /nfs/dbraw/zinc/87/30/54/945873054.db2.gz YPUSOGXLTAONGH-TZMCWYRMSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001571283065 945873047 /nfs/dbraw/zinc/87/30/47/945873047.db2.gz YPUSOGXLTAONGH-TZMCWYRMSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001571283068 945871327 /nfs/dbraw/zinc/87/13/27/945871327.db2.gz YROVDFDAULLTFR-AWEZNQCLSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001571283068 945871318 /nfs/dbraw/zinc/87/13/18/945871318.db2.gz YROVDFDAULLTFR-AWEZNQCLSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001571283069 945872878 /nfs/dbraw/zinc/87/28/78/945872878.db2.gz YROVDFDAULLTFR-CQSZACIVSA-N 1 2 387.448 -0.586 20 0 GBADLO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001571283069 945872863 /nfs/dbraw/zinc/87/28/63/945872863.db2.gz YROVDFDAULLTFR-CQSZACIVSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3nc(C)cc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571283088 945874827 /nfs/dbraw/zinc/87/48/27/945874827.db2.gz YYFHHNKRXTVZML-AWEZNQCLSA-N 1 2 387.448 -0.666 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3nc(C)cc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571283088 945874813 /nfs/dbraw/zinc/87/48/13/945874813.db2.gz YYFHHNKRXTVZML-AWEZNQCLSA-N 1 2 387.448 -0.666 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3nc(C)cc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571283089 945876349 /nfs/dbraw/zinc/87/63/49/945876349.db2.gz YYFHHNKRXTVZML-CQSZACIVSA-N 1 2 387.448 -0.666 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3nc(C)cc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571283089 945876332 /nfs/dbraw/zinc/87/63/32/945876332.db2.gz YYFHHNKRXTVZML-CQSZACIVSA-N 1 2 387.448 -0.666 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001571283107 945876790 /nfs/dbraw/zinc/87/67/90/945876790.db2.gz ZIDDGZNXPDVKNV-CHWSQXEVSA-N 1 2 387.448 -0.362 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001571283108 945877702 /nfs/dbraw/zinc/87/77/02/945877702.db2.gz ZIDDGZNXPDVKNV-OLZOCXBDSA-N 1 2 387.448 -0.362 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001571283109 945875961 /nfs/dbraw/zinc/87/59/61/945875961.db2.gz ZIDDGZNXPDVKNV-QWHCGFSZSA-N 1 2 387.448 -0.362 20 0 GBADLO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001571283110 945876394 /nfs/dbraw/zinc/87/63/94/945876394.db2.gz ZIDDGZNXPDVKNV-STQMWFEESA-N 1 2 387.448 -0.362 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571283129 945876719 /nfs/dbraw/zinc/87/67/19/945876719.db2.gz ZWZSQSHLOCACLQ-GXTWGEPZSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571283129 945876708 /nfs/dbraw/zinc/87/67/08/945876708.db2.gz ZWZSQSHLOCACLQ-GXTWGEPZSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571283130 945876027 /nfs/dbraw/zinc/87/60/27/945876027.db2.gz ZWZSQSHLOCACLQ-JSGCOSHPSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571283130 945876016 /nfs/dbraw/zinc/87/60/16/945876016.db2.gz ZWZSQSHLOCACLQ-JSGCOSHPSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571283131 945877913 /nfs/dbraw/zinc/87/79/13/945877913.db2.gz ZWZSQSHLOCACLQ-OCCSQVGLSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571283131 945877898 /nfs/dbraw/zinc/87/78/98/945877898.db2.gz ZWZSQSHLOCACLQ-OCCSQVGLSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571283132 945878195 /nfs/dbraw/zinc/87/81/95/945878195.db2.gz ZWZSQSHLOCACLQ-TZMCWYRMSA-N 1 2 387.448 -0.586 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571283132 945878179 /nfs/dbraw/zinc/87/81/79/945878179.db2.gz ZWZSQSHLOCACLQ-TZMCWYRMSA-N 1 2 387.448 -0.586 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001571285406 945915494 /nfs/dbraw/zinc/91/54/94/945915494.db2.gz CRPFJQRZYCGHMQ-AZAGILFBSA-N 1 2 388.403 -0.296 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001571285406 945915486 /nfs/dbraw/zinc/91/54/86/945915486.db2.gz CRPFJQRZYCGHMQ-AZAGILFBSA-N 1 2 388.403 -0.296 20 0 GBADLO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)NC1=O ZINC001571285539 945920181 /nfs/dbraw/zinc/92/01/81/945920181.db2.gz HUOWBKCJCMQRLY-GXTWGEPZSA-N 1 2 388.407 -0.280 20 0 GBADLO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)NC1=O ZINC001571285539 945920171 /nfs/dbraw/zinc/92/01/71/945920171.db2.gz HUOWBKCJCMQRLY-GXTWGEPZSA-N 1 2 388.407 -0.280 20 0 GBADLO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)NC1=O ZINC001571285540 945919925 /nfs/dbraw/zinc/91/99/25/945919925.db2.gz HUOWBKCJCMQRLY-JSGCOSHPSA-N 1 2 388.407 -0.280 20 0 GBADLO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)NC1=O ZINC001571285540 945919915 /nfs/dbraw/zinc/91/99/15/945919915.db2.gz HUOWBKCJCMQRLY-JSGCOSHPSA-N 1 2 388.407 -0.280 20 0 GBADLO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)NC1=O ZINC001571285541 945920059 /nfs/dbraw/zinc/92/00/59/945920059.db2.gz HUOWBKCJCMQRLY-OCCSQVGLSA-N 1 2 388.407 -0.280 20 0 GBADLO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)NC1=O ZINC001571285541 945920048 /nfs/dbraw/zinc/92/00/48/945920048.db2.gz HUOWBKCJCMQRLY-OCCSQVGLSA-N 1 2 388.407 -0.280 20 0 GBADLO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)NC1=O ZINC001571285542 945920994 /nfs/dbraw/zinc/92/09/94/945920994.db2.gz HUOWBKCJCMQRLY-TZMCWYRMSA-N 1 2 388.407 -0.280 20 0 GBADLO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)NC1=O ZINC001571285542 945920986 /nfs/dbraw/zinc/92/09/86/945920986.db2.gz HUOWBKCJCMQRLY-TZMCWYRMSA-N 1 2 388.407 -0.280 20 0 GBADLO Cc1nonc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571285595 945921046 /nfs/dbraw/zinc/92/10/46/945921046.db2.gz JLGQTPVDTJIOON-OLZOCXBDSA-N 1 2 388.363 -0.328 20 0 GBADLO Cc1nonc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571285595 945921039 /nfs/dbraw/zinc/92/10/39/945921039.db2.gz JLGQTPVDTJIOON-OLZOCXBDSA-N 1 2 388.363 -0.328 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571285718 945924728 /nfs/dbraw/zinc/92/47/28/945924728.db2.gz MFQGEERKMXDPBK-CQOGHXNDSA-N 1 2 388.403 -0.441 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571285718 945924721 /nfs/dbraw/zinc/92/47/21/945924721.db2.gz MFQGEERKMXDPBK-CQOGHXNDSA-N 1 2 388.403 -0.441 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001571286029 945935032 /nfs/dbraw/zinc/93/50/32/945935032.db2.gz VKALCBMWVNZMJW-PDOBJIDASA-N 1 2 388.403 -0.296 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001571286029 945935028 /nfs/dbraw/zinc/93/50/28/945935028.db2.gz VKALCBMWVNZMJW-PDOBJIDASA-N 1 2 388.403 -0.296 20 0 GBADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001571286311 945942808 /nfs/dbraw/zinc/94/28/08/945942808.db2.gz DKXOVXKYOSANJQ-GFCCVEGCSA-N 1 2 388.432 -0.394 20 0 GBADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001571286312 945943202 /nfs/dbraw/zinc/94/32/02/945943202.db2.gz DKXOVXKYOSANJQ-LBPRGKRZSA-N 1 2 388.432 -0.394 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001571286338 945944991 /nfs/dbraw/zinc/94/49/91/945944991.db2.gz FDFTVVQORVYCHZ-GHMZBOCLSA-N 1 2 388.413 -0.601 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001571286338 945944978 /nfs/dbraw/zinc/94/49/78/945944978.db2.gz FDFTVVQORVYCHZ-GHMZBOCLSA-N 1 2 388.413 -0.601 20 0 GBADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)NC1CCOCC1 ZINC001571286392 945944365 /nfs/dbraw/zinc/94/43/65/945944365.db2.gz GPRLTGFZBVMYFN-CYBMUJFWSA-N 1 2 388.432 -0.706 20 0 GBADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)NC1CCOCC1 ZINC001571286392 945944356 /nfs/dbraw/zinc/94/43/56/945944356.db2.gz GPRLTGFZBVMYFN-CYBMUJFWSA-N 1 2 388.432 -0.706 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N3CC([NH2+]C4COC4)C3)CC2)o1 ZINC001571286452 945947398 /nfs/dbraw/zinc/94/73/98/945947398.db2.gz IETQGQPGKJOJFE-UHFFFAOYSA-N 1 2 388.432 -0.421 20 0 GBADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001571286503 945949984 /nfs/dbraw/zinc/94/99/84/945949984.db2.gz JNQDXNRKZMUSCI-GFCCVEGCSA-N 1 2 388.432 -0.537 20 0 GBADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001571286504 945950686 /nfs/dbraw/zinc/95/06/86/945950686.db2.gz JNQDXNRKZMUSCI-LBPRGKRZSA-N 1 2 388.432 -0.537 20 0 GBADLO NC(=O)C[N@H+]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC2(CCOCC2)C1 ZINC001571286526 945950766 /nfs/dbraw/zinc/95/07/66/945950766.db2.gz JXNPZRWVYMHVFZ-LLVKDONJSA-N 1 2 388.432 -0.719 20 0 GBADLO NC(=O)C[N@@H+]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC2(CCOCC2)C1 ZINC001571286526 945950764 /nfs/dbraw/zinc/95/07/64/945950764.db2.gz JXNPZRWVYMHVFZ-LLVKDONJSA-N 1 2 388.432 -0.719 20 0 GBADLO NC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC2(CCOCC2)C1 ZINC001571286527 945951050 /nfs/dbraw/zinc/95/10/50/945951050.db2.gz JXNPZRWVYMHVFZ-NSHDSACASA-N 1 2 388.432 -0.719 20 0 GBADLO NC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC2(CCOCC2)C1 ZINC001571286527 945951039 /nfs/dbraw/zinc/95/10/39/945951039.db2.gz JXNPZRWVYMHVFZ-NSHDSACASA-N 1 2 388.432 -0.719 20 0 GBADLO CN(C[C@H]1CC[N@H+]1CC(=O)N1CCOCC1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571286806 945960633 /nfs/dbraw/zinc/96/06/33/945960633.db2.gz SASOUDQODWRVCQ-GFCCVEGCSA-N 1 2 388.432 -0.800 20 0 GBADLO CN(C[C@H]1CC[N@@H+]1CC(=O)N1CCOCC1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571286806 945960625 /nfs/dbraw/zinc/96/06/25/945960625.db2.gz SASOUDQODWRVCQ-GFCCVEGCSA-N 1 2 388.432 -0.800 20 0 GBADLO CN(C[C@@H]1CC[N@H+]1CC(=O)N1CCOCC1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571286807 945960808 /nfs/dbraw/zinc/96/08/08/945960808.db2.gz SASOUDQODWRVCQ-LBPRGKRZSA-N 1 2 388.432 -0.800 20 0 GBADLO CN(C[C@@H]1CC[N@@H+]1CC(=O)N1CCOCC1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571286807 945960802 /nfs/dbraw/zinc/96/08/02/945960802.db2.gz SASOUDQODWRVCQ-LBPRGKRZSA-N 1 2 388.432 -0.800 20 0 GBADLO CN(C[C@H]1CC[N@H+]1CC(=O)N1CCOCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571286918 945963435 /nfs/dbraw/zinc/96/34/35/945963435.db2.gz VTFUVDMQRRORPK-CYBMUJFWSA-N 1 2 388.432 -0.800 20 0 GBADLO CN(C[C@H]1CC[N@@H+]1CC(=O)N1CCOCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571286918 945963422 /nfs/dbraw/zinc/96/34/22/945963422.db2.gz VTFUVDMQRRORPK-CYBMUJFWSA-N 1 2 388.432 -0.800 20 0 GBADLO CN(C[C@@H]1CC[N@H+]1CC(=O)N1CCOCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571286919 945962953 /nfs/dbraw/zinc/96/29/53/945962953.db2.gz VTFUVDMQRRORPK-ZDUSSCGKSA-N 1 2 388.432 -0.800 20 0 GBADLO CN(C[C@@H]1CC[N@@H+]1CC(=O)N1CCOCC1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571286919 945962948 /nfs/dbraw/zinc/96/29/48/945962948.db2.gz VTFUVDMQRRORPK-ZDUSSCGKSA-N 1 2 388.432 -0.800 20 0 GBADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC1CC[NH+](CC2CC2)CC1 ZINC001571286985 945965806 /nfs/dbraw/zinc/96/58/06/945965806.db2.gz XHTOPFIQNLYRID-UHFFFAOYSA-N 1 2 388.432 -0.490 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571287028 945965544 /nfs/dbraw/zinc/96/55/44/945965544.db2.gz YLKULYDTHYTYKG-DGCLKSJQSA-N 1 2 388.432 -0.754 20 0 GBADLO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571287028 945965537 /nfs/dbraw/zinc/96/55/37/945965537.db2.gz YLKULYDTHYTYKG-DGCLKSJQSA-N 1 2 388.432 -0.754 20 0 GBADLO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571287029 945965019 /nfs/dbraw/zinc/96/50/19/945965019.db2.gz YLKULYDTHYTYKG-WCQYABFASA-N 1 2 388.432 -0.754 20 0 GBADLO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCO1 ZINC001571287029 945965011 /nfs/dbraw/zinc/96/50/11/945965011.db2.gz YLKULYDTHYTYKG-WCQYABFASA-N 1 2 388.432 -0.754 20 0 GBADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001571288691 945991367 /nfs/dbraw/zinc/99/13/67/945991367.db2.gz RGFVYESXTLJGRU-CYBMUJFWSA-N 1 2 388.432 -0.348 20 0 GBADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001571288691 945991360 /nfs/dbraw/zinc/99/13/60/945991360.db2.gz RGFVYESXTLJGRU-CYBMUJFWSA-N 1 2 388.432 -0.348 20 0 GBADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001571288692 945990001 /nfs/dbraw/zinc/99/00/01/945990001.db2.gz RGFVYESXTLJGRU-ZDUSSCGKSA-N 1 2 388.432 -0.348 20 0 GBADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001571288692 945989993 /nfs/dbraw/zinc/98/99/93/945989993.db2.gz RGFVYESXTLJGRU-ZDUSSCGKSA-N 1 2 388.432 -0.348 20 0 GBADLO O=C(C[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCOCC1 ZINC001571288972 945995156 /nfs/dbraw/zinc/99/51/56/945995156.db2.gz VOFXGVQRESXYTJ-CYBMUJFWSA-N 1 2 388.432 -0.752 20 0 GBADLO O=C(C[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCOCC1 ZINC001571288972 945995150 /nfs/dbraw/zinc/99/51/50/945995150.db2.gz VOFXGVQRESXYTJ-CYBMUJFWSA-N 1 2 388.432 -0.752 20 0 GBADLO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)cnn1C ZINC001571289828 946020661 /nfs/dbraw/zinc/02/06/61/946020661.db2.gz NGKDDZPJHYEKIS-CHWSQXEVSA-N 1 2 388.457 -0.055 20 0 GBADLO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)cnn1C ZINC001571289828 946020652 /nfs/dbraw/zinc/02/06/52/946020652.db2.gz NGKDDZPJHYEKIS-CHWSQXEVSA-N 1 2 388.457 -0.055 20 0 GBADLO C[N@H+]1CCCC[C@H]1CNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571291143 946067803 /nfs/dbraw/zinc/06/78/03/946067803.db2.gz CYONQJBMAWEUBW-JTQLQIEISA-N 1 2 389.420 -0.820 20 0 GBADLO C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571291143 946067788 /nfs/dbraw/zinc/06/77/88/946067788.db2.gz CYONQJBMAWEUBW-JTQLQIEISA-N 1 2 389.420 -0.820 20 0 GBADLO C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571291144 946069965 /nfs/dbraw/zinc/06/99/65/946069965.db2.gz CYONQJBMAWEUBW-SNVBAGLBSA-N 1 2 389.420 -0.820 20 0 GBADLO C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571291144 946069954 /nfs/dbraw/zinc/06/99/54/946069954.db2.gz CYONQJBMAWEUBW-SNVBAGLBSA-N 1 2 389.420 -0.820 20 0 GBADLO CO[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001571293244 946098074 /nfs/dbraw/zinc/09/80/74/946098074.db2.gz CDYBAIAGHNBKPL-VXGBXAGGSA-N 1 2 389.445 -0.314 20 0 GBADLO CO[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001571293244 946098066 /nfs/dbraw/zinc/09/80/66/946098066.db2.gz CDYBAIAGHNBKPL-VXGBXAGGSA-N 1 2 389.445 -0.314 20 0 GBADLO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001571293280 946100460 /nfs/dbraw/zinc/10/04/60/946100460.db2.gz DFHVDTLJAGYGRU-PWSUYJOCSA-N 1 2 389.445 -0.485 20 0 GBADLO CCn1nncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001571293280 946100452 /nfs/dbraw/zinc/10/04/52/946100452.db2.gz DFHVDTLJAGYGRU-PWSUYJOCSA-N 1 2 389.445 -0.485 20 0 GBADLO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)nnn1C ZINC001571293292 946100374 /nfs/dbraw/zinc/10/03/74/946100374.db2.gz DKWWRXHNVMKGOS-GHMZBOCLSA-N 1 2 389.445 -0.660 20 0 GBADLO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)nnn1C ZINC001571293292 946100367 /nfs/dbraw/zinc/10/03/67/946100367.db2.gz DKWWRXHNVMKGOS-GHMZBOCLSA-N 1 2 389.445 -0.660 20 0 GBADLO COCC(=O)N1CC(n2cc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)nn2)C1 ZINC001571293320 946100979 /nfs/dbraw/zinc/10/09/79/946100979.db2.gz FGNDOHLUVAGFFL-UHFFFAOYSA-N 1 2 389.445 -0.161 20 0 GBADLO Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571293853 946117423 /nfs/dbraw/zinc/11/74/23/946117423.db2.gz UCUBBNQKWGGBMB-CMPLNLGQSA-N 1 2 389.445 -0.280 20 0 GBADLO Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571293853 946117416 /nfs/dbraw/zinc/11/74/16/946117416.db2.gz UCUBBNQKWGGBMB-CMPLNLGQSA-N 1 2 389.445 -0.280 20 0 GBADLO Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001571293854 946117507 /nfs/dbraw/zinc/11/75/07/946117507.db2.gz UCUBBNQKWGGBMB-JQWIXIFHSA-N 1 2 389.445 -0.280 20 0 GBADLO Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001571293854 946117499 /nfs/dbraw/zinc/11/74/99/946117499.db2.gz UCUBBNQKWGGBMB-JQWIXIFHSA-N 1 2 389.445 -0.280 20 0 GBADLO Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001571293855 946118710 /nfs/dbraw/zinc/11/87/10/946118710.db2.gz UCUBBNQKWGGBMB-PWSUYJOCSA-N 1 2 389.445 -0.280 20 0 GBADLO Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001571293855 946118696 /nfs/dbraw/zinc/11/86/96/946118696.db2.gz UCUBBNQKWGGBMB-PWSUYJOCSA-N 1 2 389.445 -0.280 20 0 GBADLO Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571293856 946118428 /nfs/dbraw/zinc/11/84/28/946118428.db2.gz UCUBBNQKWGGBMB-ZYHUDNBSSA-N 1 2 389.445 -0.280 20 0 GBADLO Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571293856 946118422 /nfs/dbraw/zinc/11/84/22/946118422.db2.gz UCUBBNQKWGGBMB-ZYHUDNBSSA-N 1 2 389.445 -0.280 20 0 GBADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)C[C@@H]1O ZINC001571295337 946162188 /nfs/dbraw/zinc/16/21/88/946162188.db2.gz YDCRJHKKAXSGND-NEPJUHHUSA-N 1 2 389.807 -0.453 20 0 GBADLO CN(c1ncc(-c2nn[nH]n2)cc1F)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001571295839 946177478 /nfs/dbraw/zinc/17/74/78/946177478.db2.gz HKORNJVCKBZJNT-GXTWGEPZSA-N 1 2 390.423 -0.232 20 0 GBADLO CN(c1ncc(-c2nn[nH]n2)cc1F)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001571295839 946177469 /nfs/dbraw/zinc/17/74/69/946177469.db2.gz HKORNJVCKBZJNT-GXTWGEPZSA-N 1 2 390.423 -0.232 20 0 GBADLO CN(c1ncc(-c2nn[nH]n2)cc1F)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001571295840 946177004 /nfs/dbraw/zinc/17/70/04/946177004.db2.gz HKORNJVCKBZJNT-JSGCOSHPSA-N 1 2 390.423 -0.232 20 0 GBADLO CN(c1ncc(-c2nn[nH]n2)cc1F)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001571295840 946176995 /nfs/dbraw/zinc/17/69/95/946176995.db2.gz HKORNJVCKBZJNT-JSGCOSHPSA-N 1 2 390.423 -0.232 20 0 GBADLO CN(c1ncc(-c2nn[nH]n2)cc1F)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001571295841 946176940 /nfs/dbraw/zinc/17/69/40/946176940.db2.gz HKORNJVCKBZJNT-OCCSQVGLSA-N 1 2 390.423 -0.232 20 0 GBADLO CN(c1ncc(-c2nn[nH]n2)cc1F)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001571295841 946176934 /nfs/dbraw/zinc/17/69/34/946176934.db2.gz HKORNJVCKBZJNT-OCCSQVGLSA-N 1 2 390.423 -0.232 20 0 GBADLO CN(c1ncc(-c2nn[nH]n2)cc1F)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001571295842 946176189 /nfs/dbraw/zinc/17/61/89/946176189.db2.gz HKORNJVCKBZJNT-TZMCWYRMSA-N 1 2 390.423 -0.232 20 0 GBADLO CN(c1ncc(-c2nn[nH]n2)cc1F)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001571295842 946176183 /nfs/dbraw/zinc/17/61/83/946176183.db2.gz HKORNJVCKBZJNT-TZMCWYRMSA-N 1 2 390.423 -0.232 20 0 GBADLO C[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCCC[C@H]1C ZINC001571296084 946184267 /nfs/dbraw/zinc/18/42/67/946184267.db2.gz NGZIJVVJHIDILF-NEPJUHHUSA-N 1 2 390.448 -0.102 20 0 GBADLO C[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCCC[C@H]1C ZINC001571296084 946184258 /nfs/dbraw/zinc/18/42/58/946184258.db2.gz NGZIJVVJHIDILF-NEPJUHHUSA-N 1 2 390.448 -0.102 20 0 GBADLO C[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCCC[C@@H]1C ZINC001571296085 946185015 /nfs/dbraw/zinc/18/50/15/946185015.db2.gz NGZIJVVJHIDILF-NWDGAFQWSA-N 1 2 390.448 -0.102 20 0 GBADLO C[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCCC[C@@H]1C ZINC001571296085 946185009 /nfs/dbraw/zinc/18/50/09/946185009.db2.gz NGZIJVVJHIDILF-NWDGAFQWSA-N 1 2 390.448 -0.102 20 0 GBADLO C[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCCC[C@@H]1C ZINC001571296086 946185658 /nfs/dbraw/zinc/18/56/58/946185658.db2.gz NGZIJVVJHIDILF-RYUDHWBXSA-N 1 2 390.448 -0.102 20 0 GBADLO C[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCCC[C@@H]1C ZINC001571296086 946185650 /nfs/dbraw/zinc/18/56/50/946185650.db2.gz NGZIJVVJHIDILF-RYUDHWBXSA-N 1 2 390.448 -0.102 20 0 GBADLO C[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCCC[C@H]1C ZINC001571296087 946183953 /nfs/dbraw/zinc/18/39/53/946183953.db2.gz NGZIJVVJHIDILF-VXGBXAGGSA-N 1 2 390.448 -0.102 20 0 GBADLO C[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCCC[C@H]1C ZINC001571296087 946183947 /nfs/dbraw/zinc/18/39/47/946183947.db2.gz NGZIJVVJHIDILF-VXGBXAGGSA-N 1 2 390.448 -0.102 20 0 GBADLO CC(C)C[NH+]1CCC(C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001571296101 946184801 /nfs/dbraw/zinc/18/48/01/946184801.db2.gz NVMRPUPYULDZDU-UHFFFAOYSA-N 1 2 390.448 -0.387 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296327 946192189 /nfs/dbraw/zinc/19/21/89/946192189.db2.gz VBFOXBALUSMXEB-CXAGYDPISA-N 1 2 390.423 -0.184 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296327 946192180 /nfs/dbraw/zinc/19/21/80/946192180.db2.gz VBFOXBALUSMXEB-CXAGYDPISA-N 1 2 390.423 -0.184 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296328 946191584 /nfs/dbraw/zinc/19/15/84/946191584.db2.gz VBFOXBALUSMXEB-DYVFJYSZSA-N 1 2 390.423 -0.184 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296328 946191573 /nfs/dbraw/zinc/19/15/73/946191573.db2.gz VBFOXBALUSMXEB-DYVFJYSZSA-N 1 2 390.423 -0.184 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296329 946191267 /nfs/dbraw/zinc/19/12/67/946191267.db2.gz VBFOXBALUSMXEB-GUYCJALGSA-N 1 2 390.423 -0.184 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296329 946191258 /nfs/dbraw/zinc/19/12/58/946191258.db2.gz VBFOXBALUSMXEB-GUYCJALGSA-N 1 2 390.423 -0.184 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296330 946192711 /nfs/dbraw/zinc/19/27/11/946192711.db2.gz VBFOXBALUSMXEB-SUMWQHHRSA-N 1 2 390.423 -0.184 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296330 946192703 /nfs/dbraw/zinc/19/27/03/946192703.db2.gz VBFOXBALUSMXEB-SUMWQHHRSA-N 1 2 390.423 -0.184 20 0 GBADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)c1cnsn1 ZINC001571296388 946194531 /nfs/dbraw/zinc/19/45/31/946194531.db2.gz WPLINEGWBBAZJK-CHWSQXEVSA-N 1 2 390.404 -0.168 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)c1cnsn1 ZINC001571296388 946194524 /nfs/dbraw/zinc/19/45/24/946194524.db2.gz WPLINEGWBBAZJK-CHWSQXEVSA-N 1 2 390.404 -0.168 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296452 946195189 /nfs/dbraw/zinc/19/51/89/946195189.db2.gz YMAMOTOYKKJEMG-BXUZGUMPSA-N 1 2 390.423 -0.008 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296452 946195180 /nfs/dbraw/zinc/19/51/80/946195180.db2.gz YMAMOTOYKKJEMG-BXUZGUMPSA-N 1 2 390.423 -0.008 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296453 946195036 /nfs/dbraw/zinc/19/50/36/946195036.db2.gz YMAMOTOYKKJEMG-FZMZJTMJSA-N 1 2 390.423 -0.008 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296453 946195027 /nfs/dbraw/zinc/19/50/27/946195027.db2.gz YMAMOTOYKKJEMG-FZMZJTMJSA-N 1 2 390.423 -0.008 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296454 946193424 /nfs/dbraw/zinc/19/34/24/946193424.db2.gz YMAMOTOYKKJEMG-RISCZKNCSA-N 1 2 390.423 -0.008 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296454 946193417 /nfs/dbraw/zinc/19/34/17/946193417.db2.gz YMAMOTOYKKJEMG-RISCZKNCSA-N 1 2 390.423 -0.008 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296455 946194144 /nfs/dbraw/zinc/19/41/44/946194144.db2.gz YMAMOTOYKKJEMG-SMDDNHRTSA-N 1 2 390.423 -0.008 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001571296455 946194136 /nfs/dbraw/zinc/19/41/36/946194136.db2.gz YMAMOTOYKKJEMG-SMDDNHRTSA-N 1 2 390.423 -0.008 20 0 GBADLO O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CS(=O)(=O)C1 ZINC001571297880 946198431 /nfs/dbraw/zinc/19/84/31/946198431.db2.gz CAFHNUYHNQFXLO-OAHLLOKOSA-N 1 2 390.469 -0.008 20 0 GBADLO O=C(N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)C1CS(=O)(=O)C1 ZINC001571297880 946198420 /nfs/dbraw/zinc/19/84/20/946198420.db2.gz CAFHNUYHNQFXLO-OAHLLOKOSA-N 1 2 390.469 -0.008 20 0 GBADLO O=C(CC1CS(=O)(=O)C1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571298039 946203337 /nfs/dbraw/zinc/20/33/37/946203337.db2.gz HYHZKBQDUJFKND-HNNXBMFYSA-N 1 2 390.469 -0.008 20 0 GBADLO O=C(CC1CS(=O)(=O)C1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571298039 946203328 /nfs/dbraw/zinc/20/33/28/946203328.db2.gz HYHZKBQDUJFKND-HNNXBMFYSA-N 1 2 390.469 -0.008 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571298118 946205392 /nfs/dbraw/zinc/20/53/92/946205392.db2.gz ADBSTDZAGGZNMX-UHFFFAOYSA-N 1 2 390.448 -0.250 20 0 GBADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)C1CS(=O)(=O)C1 ZINC001571298988 946236243 /nfs/dbraw/zinc/23/62/43/946236243.db2.gz SWPNQKFCSGHMRN-AWEZNQCLSA-N 1 2 390.469 -0.008 20 0 GBADLO Cn1c(=O)[nH]c(N2CCC(O)(C[NH+]3CCCCC3)CC2)c(-c2nn[nH]n2)c1=O ZINC001571299797 946261014 /nfs/dbraw/zinc/26/10/14/946261014.db2.gz VESKRLWAJDXEBC-UHFFFAOYSA-N 1 2 390.448 -0.929 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H](O)C3)CC2)o1 ZINC001571299969 946267765 /nfs/dbraw/zinc/26/77/65/946267765.db2.gz WXIMRJGHVMUCNL-AAEUAGOBSA-N 1 2 390.448 -0.486 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H](O)C3)CC2)o1 ZINC001571299970 946266223 /nfs/dbraw/zinc/26/62/23/946266223.db2.gz WXIMRJGHVMUCNL-DGCLKSJQSA-N 1 2 390.448 -0.486 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H](O)C3)CC2)o1 ZINC001571299971 946267198 /nfs/dbraw/zinc/26/71/98/946267198.db2.gz WXIMRJGHVMUCNL-WCQYABFASA-N 1 2 390.448 -0.486 20 0 GBADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](O)C3)CC2)o1 ZINC001571299972 946267839 /nfs/dbraw/zinc/26/78/39/946267839.db2.gz WXIMRJGHVMUCNL-YPMHNXCESA-N 1 2 390.448 -0.486 20 0 GBADLO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571303870 946350904 /nfs/dbraw/zinc/35/09/04/946350904.db2.gz RLUUNUGMGLQCJW-JTQLQIEISA-N 1 2 391.436 -0.699 20 0 GBADLO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571303870 946350895 /nfs/dbraw/zinc/35/08/95/946350895.db2.gz RLUUNUGMGLQCJW-JTQLQIEISA-N 1 2 391.436 -0.699 20 0 GBADLO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571303871 946350845 /nfs/dbraw/zinc/35/08/45/946350845.db2.gz RLUUNUGMGLQCJW-SNVBAGLBSA-N 1 2 391.436 -0.699 20 0 GBADLO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571303871 946350839 /nfs/dbraw/zinc/35/08/39/946350839.db2.gz RLUUNUGMGLQCJW-SNVBAGLBSA-N 1 2 391.436 -0.699 20 0 GBADLO Cn1cc(-c2nn[nH]n2)c(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)n1 ZINC001571304060 946356162 /nfs/dbraw/zinc/35/61/62/946356162.db2.gz WZCXUDQZQOTKDK-UHFFFAOYSA-N 1 2 391.436 -0.397 20 0 GBADLO Cn1c(=O)[nH]c(NCC(=O)NCC[NH+]2CCCCCC2)c(-c2nn[nH]n2)c1=O ZINC001571304071 946356957 /nfs/dbraw/zinc/35/69/57/946356957.db2.gz XJXOEXAAQSDVPD-UHFFFAOYSA-N 1 2 391.436 -0.930 20 0 GBADLO O=C(N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571305416 946359792 /nfs/dbraw/zinc/35/97/92/946359792.db2.gz AQZFZCHGTXLRMA-OLZOCXBDSA-N 1 2 391.823 -0.480 20 0 GBADLO O=C(N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571305416 946359779 /nfs/dbraw/zinc/35/97/79/946359779.db2.gz AQZFZCHGTXLRMA-OLZOCXBDSA-N 1 2 391.823 -0.480 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)O1 ZINC001571305779 946374372 /nfs/dbraw/zinc/37/43/72/946374372.db2.gz CMXCBDOEPYECGD-ADEWGFFLSA-N 1 2 391.457 -0.348 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)O1 ZINC001571305780 946376483 /nfs/dbraw/zinc/37/64/83/946376483.db2.gz CMXCBDOEPYECGD-ZMLRMANQSA-N 1 2 391.457 -0.348 20 0 GBADLO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)CCC(=O)N1 ZINC001571306194 946390312 /nfs/dbraw/zinc/39/03/12/946390312.db2.gz IKXYRNZYLXQKQU-UVWXRNBGSA-N 1 2 391.457 -0.742 20 0 GBADLO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001571306761 946409697 /nfs/dbraw/zinc/40/96/97/946409697.db2.gz PGWACOCPAZFZAL-JLLWLGSASA-N 1 2 391.457 -0.884 20 0 GBADLO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001571306761 946409692 /nfs/dbraw/zinc/40/96/92/946409692.db2.gz PGWACOCPAZFZAL-JLLWLGSASA-N 1 2 391.457 -0.884 20 0 GBADLO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001571306762 946408833 /nfs/dbraw/zinc/40/88/33/946408833.db2.gz PGWACOCPAZFZAL-WCQGTBRESA-N 1 2 391.457 -0.884 20 0 GBADLO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001571306762 946408827 /nfs/dbraw/zinc/40/88/27/946408827.db2.gz PGWACOCPAZFZAL-WCQGTBRESA-N 1 2 391.457 -0.884 20 0 GBADLO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571307211 946420890 /nfs/dbraw/zinc/42/08/90/946420890.db2.gz ZWHFLKCETVBTJL-AWEZNQCLSA-N 1 2 391.457 -0.797 20 0 GBADLO O=C([C@H]1CCS(=O)(=O)N1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571307213 946420251 /nfs/dbraw/zinc/42/02/51/946420251.db2.gz ZWHFLKCETVBTJL-CQSZACIVSA-N 1 2 391.457 -0.797 20 0 GBADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC001571307554 946422981 /nfs/dbraw/zinc/42/29/81/946422981.db2.gz DZVREPNNHVAHBZ-NEPJUHHUSA-N 1 2 392.395 -0.836 20 0 GBADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001571307555 946423395 /nfs/dbraw/zinc/42/33/95/946423395.db2.gz DZVREPNNHVAHBZ-NWDGAFQWSA-N 1 2 392.395 -0.836 20 0 GBADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001571307556 946422292 /nfs/dbraw/zinc/42/22/92/946422292.db2.gz DZVREPNNHVAHBZ-RYUDHWBXSA-N 1 2 392.395 -0.836 20 0 GBADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC001571307557 946422361 /nfs/dbraw/zinc/42/23/61/946422361.db2.gz DZVREPNNHVAHBZ-VXGBXAGGSA-N 1 2 392.395 -0.836 20 0 GBADLO CC[NH+](CC)CCN(CC(C)C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571310379 946470972 /nfs/dbraw/zinc/47/09/72/946470972.db2.gz DJBZUVNVONFHMZ-UHFFFAOYSA-N 1 2 392.464 -0.045 20 0 GBADLO CC(=O)N(C)CC(=O)NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573398913 947988283 /nfs/dbraw/zinc/98/82/83/947988283.db2.gz QOSJNFIVDAGYCA-UHFFFAOYSA-N 1 2 387.444 -0.602 20 0 GBADLO CC(=O)N(C)CC(=O)NC1(CCO)C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573399044 947988491 /nfs/dbraw/zinc/98/84/91/947988491.db2.gz SIZITJSJXCPEHA-UHFFFAOYSA-N 1 2 387.444 -0.602 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573405365 948041931 /nfs/dbraw/zinc/04/19/31/948041931.db2.gz QAQYDXZIBYTZBX-INIZCTEOSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573405365 948041922 /nfs/dbraw/zinc/04/19/22/948041922.db2.gz QAQYDXZIBYTZBX-INIZCTEOSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573405412 948043290 /nfs/dbraw/zinc/04/32/90/948043290.db2.gz QAQYDXZIBYTZBX-MRXNPFEDSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573405412 948043279 /nfs/dbraw/zinc/04/32/79/948043279.db2.gz QAQYDXZIBYTZBX-MRXNPFEDSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573405460 948043756 /nfs/dbraw/zinc/04/37/56/948043756.db2.gz QYKOQELOBWDXNB-HNNXBMFYSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573405460 948043748 /nfs/dbraw/zinc/04/37/48/948043748.db2.gz QYKOQELOBWDXNB-HNNXBMFYSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573405461 948044050 /nfs/dbraw/zinc/04/40/50/948044050.db2.gz QYKOQELOBWDXNB-OAHLLOKOSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573405461 948044040 /nfs/dbraw/zinc/04/40/40/948044040.db2.gz QYKOQELOBWDXNB-OAHLLOKOSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573405469 948045585 /nfs/dbraw/zinc/04/55/85/948045585.db2.gz RRKFXVVBJCPVBC-INIZCTEOSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573405469 948045574 /nfs/dbraw/zinc/04/55/74/948045574.db2.gz RRKFXVVBJCPVBC-INIZCTEOSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573405470 948045705 /nfs/dbraw/zinc/04/57/05/948045705.db2.gz RRKFXVVBJCPVBC-MRXNPFEDSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573405470 948045696 /nfs/dbraw/zinc/04/56/96/948045696.db2.gz RRKFXVVBJCPVBC-MRXNPFEDSA-N 1 2 387.444 -0.338 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001573406353 948050901 /nfs/dbraw/zinc/05/09/01/948050901.db2.gz AYKDWKMTHWLZMZ-HUUCEWRRSA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001573406353 948050893 /nfs/dbraw/zinc/05/08/93/948050893.db2.gz AYKDWKMTHWLZMZ-HUUCEWRRSA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573406427 948054057 /nfs/dbraw/zinc/05/40/57/948054057.db2.gz HSVKINKGTYHTNJ-HUUCEWRRSA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573406427 948054047 /nfs/dbraw/zinc/05/40/47/948054047.db2.gz HSVKINKGTYHTNJ-HUUCEWRRSA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001573406570 948056636 /nfs/dbraw/zinc/05/66/36/948056636.db2.gz LHFFKNZZXLAVAD-CABCVRRESA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001573406570 948056632 /nfs/dbraw/zinc/05/66/32/948056632.db2.gz LHFFKNZZXLAVAD-CABCVRRESA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001573406571 948055529 /nfs/dbraw/zinc/05/55/29/948055529.db2.gz LHFFKNZZXLAVAD-HUUCEWRRSA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001573406571 948055522 /nfs/dbraw/zinc/05/55/22/948055522.db2.gz LHFFKNZZXLAVAD-HUUCEWRRSA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001573406749 948058265 /nfs/dbraw/zinc/05/82/65/948058265.db2.gz QEHWDKPAYMFUCX-VXGBXAGGSA-N 1 2 379.446 -0.932 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001573406749 948058256 /nfs/dbraw/zinc/05/82/56/948058256.db2.gz QEHWDKPAYMFUCX-VXGBXAGGSA-N 1 2 379.446 -0.932 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001573406983 948060201 /nfs/dbraw/zinc/06/02/01/948060201.db2.gz ZJZUNOBCANIXQB-CABCVRRESA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001573406983 948060192 /nfs/dbraw/zinc/06/01/92/948060192.db2.gz ZJZUNOBCANIXQB-CABCVRRESA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001573406984 948059771 /nfs/dbraw/zinc/05/97/71/948059771.db2.gz ZJZUNOBCANIXQB-HUUCEWRRSA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001573406984 948059765 /nfs/dbraw/zinc/05/97/65/948059765.db2.gz ZJZUNOBCANIXQB-HUUCEWRRSA-N 1 2 391.407 -0.855 20 0 GBADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001573426457 948157002 /nfs/dbraw/zinc/15/70/02/948157002.db2.gz LWQDFDMREMGZMG-OLZOCXBDSA-N 1 2 391.457 -0.932 20 0 GBADLO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001573426457 948156999 /nfs/dbraw/zinc/15/69/99/948156999.db2.gz LWQDFDMREMGZMG-OLZOCXBDSA-N 1 2 391.457 -0.932 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC1(CCO)C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573475680 946104595 /nfs/dbraw/zinc/10/45/95/946104595.db2.gz ACQJXZJZUMYKCK-GFCCVEGCSA-N 1 2 387.444 -0.556 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC1(CCO)C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573475682 946104537 /nfs/dbraw/zinc/10/45/37/946104537.db2.gz ACQJXZJZUMYKCK-LBPRGKRZSA-N 1 2 387.444 -0.556 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC1(CCO)C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573477275 946133160 /nfs/dbraw/zinc/13/31/60/946133160.db2.gz NUVYXOUUKTTWHT-GFCCVEGCSA-N 1 2 387.444 -0.556 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC1(CCO)C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573477276 946132209 /nfs/dbraw/zinc/13/22/09/946132209.db2.gz NUVYXOUUKTTWHT-LBPRGKRZSA-N 1 2 387.444 -0.556 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573477433 946136846 /nfs/dbraw/zinc/13/68/46/946136846.db2.gz QSIGERHMVFYACO-GFCCVEGCSA-N 1 2 387.444 -0.556 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573477434 946137358 /nfs/dbraw/zinc/13/73/58/946137358.db2.gz QSIGERHMVFYACO-LBPRGKRZSA-N 1 2 387.444 -0.556 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573480593 946175944 /nfs/dbraw/zinc/17/59/44/946175944.db2.gz LHJJDLSSGZBXCI-DOMZBBRYSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573480593 946175941 /nfs/dbraw/zinc/17/59/41/946175941.db2.gz LHJJDLSSGZBXCI-DOMZBBRYSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573480595 946175328 /nfs/dbraw/zinc/17/53/28/946175328.db2.gz LHJJDLSSGZBXCI-IUODEOHRSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573480595 946175319 /nfs/dbraw/zinc/17/53/19/946175319.db2.gz LHJJDLSSGZBXCI-IUODEOHRSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573480597 946175772 /nfs/dbraw/zinc/17/57/72/946175772.db2.gz LHJJDLSSGZBXCI-SWLSCSKDSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573480597 946175769 /nfs/dbraw/zinc/17/57/69/946175769.db2.gz LHJJDLSSGZBXCI-SWLSCSKDSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573480599 946174727 /nfs/dbraw/zinc/17/47/27/946174727.db2.gz LHJJDLSSGZBXCI-WFASDCNBSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573480599 946174719 /nfs/dbraw/zinc/17/47/19/946174719.db2.gz LHJJDLSSGZBXCI-WFASDCNBSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573482297 946193250 /nfs/dbraw/zinc/19/32/50/946193250.db2.gz WHKGDWLTMWUYMW-BLLLJJGKSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573482297 946193243 /nfs/dbraw/zinc/19/32/43/946193243.db2.gz WHKGDWLTMWUYMW-BLLLJJGKSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573482298 946194818 /nfs/dbraw/zinc/19/48/18/946194818.db2.gz WHKGDWLTMWUYMW-LRDDRELGSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573482298 946194813 /nfs/dbraw/zinc/19/48/13/946194813.db2.gz WHKGDWLTMWUYMW-LRDDRELGSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573482299 946194713 /nfs/dbraw/zinc/19/47/13/946194713.db2.gz WHKGDWLTMWUYMW-MLGOLLRUSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573482299 946194705 /nfs/dbraw/zinc/19/47/05/946194705.db2.gz WHKGDWLTMWUYMW-MLGOLLRUSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573482300 946193309 /nfs/dbraw/zinc/19/33/09/946193309.db2.gz WHKGDWLTMWUYMW-WBMJQRKESA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573482300 946193299 /nfs/dbraw/zinc/19/32/99/946193299.db2.gz WHKGDWLTMWUYMW-WBMJQRKESA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573482516 946196626 /nfs/dbraw/zinc/19/66/26/946196626.db2.gz XDTQBJUEMSPGGZ-BLLLJJGKSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573482516 946196618 /nfs/dbraw/zinc/19/66/18/946196618.db2.gz XDTQBJUEMSPGGZ-BLLLJJGKSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573482517 946195739 /nfs/dbraw/zinc/19/57/39/946195739.db2.gz XDTQBJUEMSPGGZ-LRDDRELGSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573482517 946195732 /nfs/dbraw/zinc/19/57/32/946195732.db2.gz XDTQBJUEMSPGGZ-LRDDRELGSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573482518 946195984 /nfs/dbraw/zinc/19/59/84/946195984.db2.gz XDTQBJUEMSPGGZ-MLGOLLRUSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573482518 946195977 /nfs/dbraw/zinc/19/59/77/946195977.db2.gz XDTQBJUEMSPGGZ-MLGOLLRUSA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573482519 946196189 /nfs/dbraw/zinc/19/61/89/946196189.db2.gz XDTQBJUEMSPGGZ-WBMJQRKESA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573482519 946196185 /nfs/dbraw/zinc/19/61/85/946196185.db2.gz XDTQBJUEMSPGGZ-WBMJQRKESA-N 1 2 387.444 -0.292 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001573482927 946205162 /nfs/dbraw/zinc/20/51/62/946205162.db2.gz CCEJQURZWGGWTJ-AXTRIDKLSA-N 1 2 379.446 -0.886 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001573482927 946205152 /nfs/dbraw/zinc/20/51/52/946205152.db2.gz CCEJQURZWGGWTJ-AXTRIDKLSA-N 1 2 379.446 -0.886 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001573482932 946206837 /nfs/dbraw/zinc/20/68/37/946206837.db2.gz CCEJQURZWGGWTJ-FXAINCCUSA-N 1 2 379.446 -0.886 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001573482932 946206832 /nfs/dbraw/zinc/20/68/32/946206832.db2.gz CCEJQURZWGGWTJ-FXAINCCUSA-N 1 2 379.446 -0.886 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001573482933 946207339 /nfs/dbraw/zinc/20/73/39/946207339.db2.gz CCEJQURZWGGWTJ-GGZOMVNGSA-N 1 2 379.446 -0.886 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001573482933 946207328 /nfs/dbraw/zinc/20/73/28/946207328.db2.gz CCEJQURZWGGWTJ-GGZOMVNGSA-N 1 2 379.446 -0.886 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001573482934 946206025 /nfs/dbraw/zinc/20/60/25/946206025.db2.gz CCEJQURZWGGWTJ-XXILOJSOSA-N 1 2 379.446 -0.886 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001573482934 946206020 /nfs/dbraw/zinc/20/60/20/946206020.db2.gz CCEJQURZWGGWTJ-XXILOJSOSA-N 1 2 379.446 -0.886 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001573483261 946207387 /nfs/dbraw/zinc/20/73/87/946207387.db2.gz CWNUGPKMFXSIMQ-GFCCVEGCSA-N 1 2 387.448 -0.976 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001573483263 946205457 /nfs/dbraw/zinc/20/54/57/946205457.db2.gz CWNUGPKMFXSIMQ-LBPRGKRZSA-N 1 2 387.448 -0.976 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001573483362 946209083 /nfs/dbraw/zinc/20/90/83/946209083.db2.gz DZGKWEHUJHHYHK-DFKRKDTASA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001573483362 946209075 /nfs/dbraw/zinc/20/90/75/946209075.db2.gz DZGKWEHUJHHYHK-DFKRKDTASA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001573483363 946209360 /nfs/dbraw/zinc/20/93/60/946209360.db2.gz DZGKWEHUJHHYHK-TZTCFGBESA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001573483363 946209350 /nfs/dbraw/zinc/20/93/50/946209350.db2.gz DZGKWEHUJHHYHK-TZTCFGBESA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573483638 946209844 /nfs/dbraw/zinc/20/98/44/946209844.db2.gz GOOFLYLNZLKFSG-GFCCVEGCSA-N 1 2 387.448 -0.976 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573483639 946208239 /nfs/dbraw/zinc/20/82/39/946208239.db2.gz GOOFLYLNZLKFSG-LBPRGKRZSA-N 1 2 387.448 -0.976 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001573483997 946212547 /nfs/dbraw/zinc/21/25/47/946212547.db2.gz JDGPLDBRUHYYNN-GFCCVEGCSA-N 1 2 387.448 -0.976 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001573483998 946213933 /nfs/dbraw/zinc/21/39/33/946213933.db2.gz JDGPLDBRUHYYNN-LBPRGKRZSA-N 1 2 387.448 -0.976 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001573484422 946218335 /nfs/dbraw/zinc/21/83/35/946218335.db2.gz LFONOWOIPCEZKG-AMFBXLIHSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001573484422 946218327 /nfs/dbraw/zinc/21/83/27/946218327.db2.gz LFONOWOIPCEZKG-AMFBXLIHSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001573484423 946216935 /nfs/dbraw/zinc/21/69/35/946216935.db2.gz LFONOWOIPCEZKG-DFKRKDTASA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001573484423 946216927 /nfs/dbraw/zinc/21/69/27/946216927.db2.gz LFONOWOIPCEZKG-DFKRKDTASA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001573484424 946217930 /nfs/dbraw/zinc/21/79/30/946217930.db2.gz LFONOWOIPCEZKG-TZTCFGBESA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001573484424 946217918 /nfs/dbraw/zinc/21/79/18/946217918.db2.gz LFONOWOIPCEZKG-TZTCFGBESA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001573484425 946217182 /nfs/dbraw/zinc/21/71/82/946217182.db2.gz LFONOWOIPCEZKG-ZWZTZDBGSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001573484425 946217172 /nfs/dbraw/zinc/21/71/72/946217172.db2.gz LFONOWOIPCEZKG-ZWZTZDBGSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001573484943 946219395 /nfs/dbraw/zinc/21/93/95/946219395.db2.gz NYGFYSIRUSMKBO-GFCCVEGCSA-N 1 2 387.448 -0.976 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001573484945 946219698 /nfs/dbraw/zinc/21/96/98/946219698.db2.gz NYGFYSIRUSMKBO-LBPRGKRZSA-N 1 2 387.448 -0.976 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001573484991 946221926 /nfs/dbraw/zinc/22/19/26/946221926.db2.gz OWPZIMKZJVUQNE-AMFBXLIHSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001573484991 946221915 /nfs/dbraw/zinc/22/19/15/946221915.db2.gz OWPZIMKZJVUQNE-AMFBXLIHSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001573484992 946219938 /nfs/dbraw/zinc/21/99/38/946219938.db2.gz OWPZIMKZJVUQNE-ZWZTZDBGSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001573484992 946219925 /nfs/dbraw/zinc/21/99/25/946219925.db2.gz OWPZIMKZJVUQNE-ZWZTZDBGSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001573485422 946226076 /nfs/dbraw/zinc/22/60/76/946226076.db2.gz TUBJEFQMXLUCHW-AMFBXLIHSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001573485422 946226065 /nfs/dbraw/zinc/22/60/65/946226065.db2.gz TUBJEFQMXLUCHW-AMFBXLIHSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573485423 946227637 /nfs/dbraw/zinc/22/76/37/946227637.db2.gz TUBJEFQMXLUCHW-DFKRKDTASA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573485423 946227623 /nfs/dbraw/zinc/22/76/23/946227623.db2.gz TUBJEFQMXLUCHW-DFKRKDTASA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573485424 946227810 /nfs/dbraw/zinc/22/78/10/946227810.db2.gz TUBJEFQMXLUCHW-TZTCFGBESA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573485424 946227801 /nfs/dbraw/zinc/22/78/01/946227801.db2.gz TUBJEFQMXLUCHW-TZTCFGBESA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001573485425 946226360 /nfs/dbraw/zinc/22/63/60/946226360.db2.gz TUBJEFQMXLUCHW-ZWZTZDBGSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001573485425 946226350 /nfs/dbraw/zinc/22/63/50/946226350.db2.gz TUBJEFQMXLUCHW-ZWZTZDBGSA-N 1 2 391.407 -0.808 20 0 GBADLO CC(=O)NCC(=O)N[C@@H]1COC2(C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001573515985 946553454 /nfs/dbraw/zinc/55/34/54/946553454.db2.gz UJAFZEGKTCSQHM-HNNXBMFYSA-N 1 2 385.428 -0.538 20 0 GBADLO CC(=O)NCC(=O)N[C@H]1COC2(C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001573515990 946556313 /nfs/dbraw/zinc/55/63/13/946556313.db2.gz UJAFZEGKTCSQHM-OAHLLOKOSA-N 1 2 385.428 -0.538 20 0 GBADLO CC(=O)NCC(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573518308 946587703 /nfs/dbraw/zinc/58/77/03/946587703.db2.gz YPVZWIPBAYDYMN-GOSISDBHSA-N 1 2 387.444 -0.290 20 0 GBADLO CC(=O)NCC(=O)NC[C@]1(C)C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573518308 946587693 /nfs/dbraw/zinc/58/76/93/946587693.db2.gz YPVZWIPBAYDYMN-GOSISDBHSA-N 1 2 387.444 -0.290 20 0 GBADLO CC(=O)NCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573518309 946586632 /nfs/dbraw/zinc/58/66/32/946586632.db2.gz YPVZWIPBAYDYMN-SFHVURJKSA-N 1 2 387.444 -0.290 20 0 GBADLO CC(=O)NCC(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573518309 946586629 /nfs/dbraw/zinc/58/66/29/946586629.db2.gz YPVZWIPBAYDYMN-SFHVURJKSA-N 1 2 387.444 -0.290 20 0 GBADLO CC(=O)NCC(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573520061 946590586 /nfs/dbraw/zinc/59/05/86/946590586.db2.gz BGKNRAWJOFNTEZ-UHFFFAOYSA-N 1 2 392.489 -0.702 20 0 GBADLO CC(=O)NCCOCC[NH+]1CC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573530237 946690412 /nfs/dbraw/zinc/69/04/12/946690412.db2.gz WUTJOJZYQFTGAZ-UHFFFAOYSA-N 1 2 376.421 -0.896 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573584856 947237947 /nfs/dbraw/zinc/23/79/47/947237947.db2.gz AHENIUVQTQWFBO-GDLCADMTSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573584856 947237935 /nfs/dbraw/zinc/23/79/35/947237935.db2.gz AHENIUVQTQWFBO-GDLCADMTSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573584858 947239515 /nfs/dbraw/zinc/23/95/15/947239515.db2.gz AHENIUVQTQWFBO-HONMWMINSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573584858 947239505 /nfs/dbraw/zinc/23/95/05/947239505.db2.gz AHENIUVQTQWFBO-HONMWMINSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573584860 947238019 /nfs/dbraw/zinc/23/80/19/947238019.db2.gz AHENIUVQTQWFBO-LERXQTSPSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573584860 947238008 /nfs/dbraw/zinc/23/80/08/947238008.db2.gz AHENIUVQTQWFBO-LERXQTSPSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573584861 947239126 /nfs/dbraw/zinc/23/91/26/947239126.db2.gz AHENIUVQTQWFBO-ZLKJLUDKSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573584861 947239115 /nfs/dbraw/zinc/23/91/15/947239115.db2.gz AHENIUVQTQWFBO-ZLKJLUDKSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573586548 947288819 /nfs/dbraw/zinc/28/88/19/947288819.db2.gz QOGCPZIGKMCYAK-GDLCADMTSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573586548 947288810 /nfs/dbraw/zinc/28/88/10/947288810.db2.gz QOGCPZIGKMCYAK-GDLCADMTSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573586549 947287770 /nfs/dbraw/zinc/28/77/70/947287770.db2.gz QOGCPZIGKMCYAK-HONMWMINSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573586549 947287760 /nfs/dbraw/zinc/28/77/60/947287760.db2.gz QOGCPZIGKMCYAK-HONMWMINSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573586550 947288959 /nfs/dbraw/zinc/28/89/59/947288959.db2.gz QOGCPZIGKMCYAK-LERXQTSPSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573586550 947288943 /nfs/dbraw/zinc/28/89/43/947288943.db2.gz QOGCPZIGKMCYAK-LERXQTSPSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573586551 947289056 /nfs/dbraw/zinc/28/90/56/947289056.db2.gz QOGCPZIGKMCYAK-ZLKJLUDKSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573586551 947289043 /nfs/dbraw/zinc/28/90/43/947289043.db2.gz QOGCPZIGKMCYAK-ZLKJLUDKSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573586964 947297660 /nfs/dbraw/zinc/29/76/60/947297660.db2.gz VBRHJCSSXXOZNA-GDLCADMTSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573586964 947297650 /nfs/dbraw/zinc/29/76/50/947297650.db2.gz VBRHJCSSXXOZNA-GDLCADMTSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573586965 947296626 /nfs/dbraw/zinc/29/66/26/947296626.db2.gz VBRHJCSSXXOZNA-HONMWMINSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573586965 947296621 /nfs/dbraw/zinc/29/66/21/947296621.db2.gz VBRHJCSSXXOZNA-HONMWMINSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573586966 947297203 /nfs/dbraw/zinc/29/72/03/947297203.db2.gz VBRHJCSSXXOZNA-LERXQTSPSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573586966 947297193 /nfs/dbraw/zinc/29/71/93/947297193.db2.gz VBRHJCSSXXOZNA-LERXQTSPSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573586967 947295761 /nfs/dbraw/zinc/29/57/61/947295761.db2.gz VBRHJCSSXXOZNA-ZLKJLUDKSA-N 1 2 390.448 -0.775 20 0 GBADLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573586967 947295754 /nfs/dbraw/zinc/29/57/54/947295754.db2.gz VBRHJCSSXXOZNA-ZLKJLUDKSA-N 1 2 390.448 -0.775 20 0 GBADLO C[C@H](C(=O)N(C)C)[NH+]1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573592684 947347286 /nfs/dbraw/zinc/34/72/86/947347286.db2.gz FHJNGZGIKCSMJH-GFCCVEGCSA-N 1 2 389.464 -0.981 20 0 GBADLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573592685 947345385 /nfs/dbraw/zinc/34/53/85/947345385.db2.gz FHJNGZGIKCSMJH-LBPRGKRZSA-N 1 2 389.464 -0.981 20 0 GBADLO C[C@H](C(=O)N(C)C)[NH+]1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573592688 947346195 /nfs/dbraw/zinc/34/61/95/947346195.db2.gz FKWVCIDLIKSIGD-GFCCVEGCSA-N 1 2 389.464 -0.981 20 0 GBADLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573592689 947346392 /nfs/dbraw/zinc/34/63/92/947346392.db2.gz FKWVCIDLIKSIGD-LBPRGKRZSA-N 1 2 389.464 -0.981 20 0 GBADLO C[C@H](C(=O)N(C)C)[NH+]1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573593052 947360427 /nfs/dbraw/zinc/36/04/27/947360427.db2.gz HZDLWXANEQWTFP-GFCCVEGCSA-N 1 2 389.464 -0.981 20 0 GBADLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573593055 947362422 /nfs/dbraw/zinc/36/24/22/947362422.db2.gz HZDLWXANEQWTFP-LBPRGKRZSA-N 1 2 389.464 -0.981 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573653228 947952983 /nfs/dbraw/zinc/95/29/83/947952983.db2.gz JWDDYQSFCAMVHA-BIMULSAOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573653228 947952980 /nfs/dbraw/zinc/95/29/80/947952980.db2.gz JWDDYQSFCAMVHA-BIMULSAOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573653229 947954012 /nfs/dbraw/zinc/95/40/12/947954012.db2.gz JWDDYQSFCAMVHA-OASPWFOLSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573653229 947954004 /nfs/dbraw/zinc/95/40/04/947954004.db2.gz JWDDYQSFCAMVHA-OASPWFOLSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573653230 947952695 /nfs/dbraw/zinc/95/26/95/947952695.db2.gz JWDDYQSFCAMVHA-WQAKAFBOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573653230 947952680 /nfs/dbraw/zinc/95/26/80/947952680.db2.gz JWDDYQSFCAMVHA-WQAKAFBOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573653231 947953919 /nfs/dbraw/zinc/95/39/19/947953919.db2.gz JWDDYQSFCAMVHA-ZWKOPEQDSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573653231 947953911 /nfs/dbraw/zinc/95/39/11/947953911.db2.gz JWDDYQSFCAMVHA-ZWKOPEQDSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573653349 947955810 /nfs/dbraw/zinc/95/58/10/947955810.db2.gz KUNXMJWNYKNYRU-BIMULSAOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573653349 947955809 /nfs/dbraw/zinc/95/58/09/947955809.db2.gz KUNXMJWNYKNYRU-BIMULSAOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573653350 947955595 /nfs/dbraw/zinc/95/55/95/947955595.db2.gz KUNXMJWNYKNYRU-OASPWFOLSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573653350 947955593 /nfs/dbraw/zinc/95/55/93/947955593.db2.gz KUNXMJWNYKNYRU-OASPWFOLSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573653351 947956452 /nfs/dbraw/zinc/95/64/52/947956452.db2.gz KUNXMJWNYKNYRU-WQAKAFBOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573653351 947956448 /nfs/dbraw/zinc/95/64/48/947956448.db2.gz KUNXMJWNYKNYRU-WQAKAFBOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573653353 947955779 /nfs/dbraw/zinc/95/57/79/947955779.db2.gz KUNXMJWNYKNYRU-ZWKOPEQDSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573653353 947955775 /nfs/dbraw/zinc/95/57/75/947955775.db2.gz KUNXMJWNYKNYRU-ZWKOPEQDSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573654509 947968159 /nfs/dbraw/zinc/96/81/59/947968159.db2.gz RSQLAQXGJDWERP-BIMULSAOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573654509 947968147 /nfs/dbraw/zinc/96/81/47/947968147.db2.gz RSQLAQXGJDWERP-BIMULSAOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573654510 947967323 /nfs/dbraw/zinc/96/73/23/947967323.db2.gz RSQLAQXGJDWERP-OASPWFOLSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573654510 947967318 /nfs/dbraw/zinc/96/73/18/947967318.db2.gz RSQLAQXGJDWERP-OASPWFOLSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573654511 947967582 /nfs/dbraw/zinc/96/75/82/947967582.db2.gz RSQLAQXGJDWERP-WQAKAFBOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573654511 947967575 /nfs/dbraw/zinc/96/75/75/947967575.db2.gz RSQLAQXGJDWERP-WQAKAFBOSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573654512 947967127 /nfs/dbraw/zinc/96/71/27/947967127.db2.gz RSQLAQXGJDWERP-ZWKOPEQDSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573654512 947967121 /nfs/dbraw/zinc/96/71/21/947967121.db2.gz RSQLAQXGJDWERP-ZWKOPEQDSA-N 1 2 390.448 -0.727 20 0 GBADLO C[C@H](C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)S(C)(=O)=O ZINC001573708707 948458236 /nfs/dbraw/zinc/45/82/36/948458236.db2.gz XKMICHYVTLLJPR-LLVKDONJSA-N 1 2 378.458 -0.152 20 0 GBADLO C[C@@H](C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)S(C)(=O)=O ZINC001573708708 948457127 /nfs/dbraw/zinc/45/71/27/948457127.db2.gz XKMICHYVTLLJPR-NSHDSACASA-N 1 2 378.458 -0.152 20 0 GBADLO C[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573715364 948490227 /nfs/dbraw/zinc/49/02/27/948490227.db2.gz VAIKQNIAXQUOFV-JTQLQIEISA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573715364 948490222 /nfs/dbraw/zinc/49/02/22/948490222.db2.gz VAIKQNIAXQUOFV-JTQLQIEISA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@H](C(=O)NCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573715365 948489957 /nfs/dbraw/zinc/48/99/57/948489957.db2.gz VAIKQNIAXQUOFV-SNVBAGLBSA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@H](C(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)S(C)(=O)=O ZINC001573715365 948489954 /nfs/dbraw/zinc/48/99/54/948489954.db2.gz VAIKQNIAXQUOFV-SNVBAGLBSA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573715534 948492693 /nfs/dbraw/zinc/49/26/93/948492693.db2.gz YJKZLBLMRZVTOJ-JTQLQIEISA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573715534 948492689 /nfs/dbraw/zinc/49/26/89/948492689.db2.gz YJKZLBLMRZVTOJ-JTQLQIEISA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573715535 948494089 /nfs/dbraw/zinc/49/40/89/948494089.db2.gz YJKZLBLMRZVTOJ-SNVBAGLBSA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)S(C)(=O)=O ZINC001573715535 948494085 /nfs/dbraw/zinc/49/40/85/948494085.db2.gz YJKZLBLMRZVTOJ-SNVBAGLBSA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@H](C(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[NH+]1CCCCCC1 ZINC001573718787 948520864 /nfs/dbraw/zinc/52/08/64/948520864.db2.gz SWNFJKUOERUDTQ-LLVKDONJSA-N 1 2 376.421 -0.490 20 0 GBADLO C[C@@H](C(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[NH+]1CCCCCC1 ZINC001573718788 948521763 /nfs/dbraw/zinc/52/17/63/948521763.db2.gz SWNFJKUOERUDTQ-NSHDSACASA-N 1 2 376.421 -0.490 20 0 GBADLO C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)n1cnc(-c2nn[nH]n2)n1 ZINC001573740246 948630457 /nfs/dbraw/zinc/63/04/57/948630457.db2.gz MJQDKDNZQVNZMG-JHJVBQTASA-N 1 2 387.448 -0.221 20 0 GBADLO C[C@@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)n1cnc(-c2nn[nH]n2)n1 ZINC001573740247 948630606 /nfs/dbraw/zinc/63/06/06/948630606.db2.gz MJQDKDNZQVNZMG-YNEHKIRRSA-N 1 2 387.448 -0.221 20 0 GBADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)n1cncn1 ZINC001573741086 948648565 /nfs/dbraw/zinc/64/85/65/948648565.db2.gz SIHADMMLUVFEEG-JLLWLGSASA-N 1 2 389.445 -0.558 20 0 GBADLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)n1cncn1 ZINC001573741086 948648563 /nfs/dbraw/zinc/64/85/63/948648563.db2.gz SIHADMMLUVFEEG-JLLWLGSASA-N 1 2 389.445 -0.558 20 0 GBADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)n1cncn1 ZINC001573741088 948649173 /nfs/dbraw/zinc/64/91/73/948649173.db2.gz SIHADMMLUVFEEG-MVWJERBFSA-N 1 2 389.445 -0.558 20 0 GBADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)n1cncn1 ZINC001573741088 948649166 /nfs/dbraw/zinc/64/91/66/948649166.db2.gz SIHADMMLUVFEEG-MVWJERBFSA-N 1 2 389.445 -0.558 20 0 GBADLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)n1cncn1 ZINC001573741090 948649126 /nfs/dbraw/zinc/64/91/26/948649126.db2.gz SIHADMMLUVFEEG-WCQGTBRESA-N 1 2 389.445 -0.558 20 0 GBADLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)n1cncn1 ZINC001573741090 948649120 /nfs/dbraw/zinc/64/91/20/948649120.db2.gz SIHADMMLUVFEEG-WCQGTBRESA-N 1 2 389.445 -0.558 20 0 GBADLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)n1cncn1 ZINC001573741099 948651251 /nfs/dbraw/zinc/65/12/51/948651251.db2.gz SIHADMMLUVFEEG-YUSALJHKSA-N 1 2 389.445 -0.558 20 0 GBADLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)n1cncn1 ZINC001573741099 948651245 /nfs/dbraw/zinc/65/12/45/948651245.db2.gz SIHADMMLUVFEEG-YUSALJHKSA-N 1 2 389.445 -0.558 20 0 GBADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573753973 948722801 /nfs/dbraw/zinc/72/28/01/948722801.db2.gz AMDCLGQKAZHCDM-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573753973 948722797 /nfs/dbraw/zinc/72/27/97/948722797.db2.gz AMDCLGQKAZHCDM-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573753976 948722672 /nfs/dbraw/zinc/72/26/72/948722672.db2.gz AMDCLGQKAZHCDM-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573753976 948722669 /nfs/dbraw/zinc/72/26/69/948722669.db2.gz AMDCLGQKAZHCDM-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573754517 948745063 /nfs/dbraw/zinc/74/50/63/948745063.db2.gz GQZAZEOKYRRDCI-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573754517 948745052 /nfs/dbraw/zinc/74/50/52/948745052.db2.gz GQZAZEOKYRRDCI-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573754518 948744683 /nfs/dbraw/zinc/74/46/83/948744683.db2.gz GQZAZEOKYRRDCI-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573754518 948744675 /nfs/dbraw/zinc/74/46/75/948744675.db2.gz GQZAZEOKYRRDCI-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001573754919 948750899 /nfs/dbraw/zinc/75/08/99/948750899.db2.gz LIUWFCCVQBONMM-LLVKDONJSA-N 1 2 388.432 -0.624 20 0 GBADLO C[C@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001573754919 948750894 /nfs/dbraw/zinc/75/08/94/948750894.db2.gz LIUWFCCVQBONMM-LLVKDONJSA-N 1 2 388.432 -0.624 20 0 GBADLO C[C@@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001573754920 948749415 /nfs/dbraw/zinc/74/94/15/948749415.db2.gz LIUWFCCVQBONMM-NSHDSACASA-N 1 2 388.432 -0.624 20 0 GBADLO C[C@@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 ZINC001573754920 948749406 /nfs/dbraw/zinc/74/94/06/948749406.db2.gz LIUWFCCVQBONMM-NSHDSACASA-N 1 2 388.432 -0.624 20 0 GBADLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573754923 948749711 /nfs/dbraw/zinc/74/97/11/948749711.db2.gz LKGKAWVZQCINGY-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573754923 948749703 /nfs/dbraw/zinc/74/97/03/948749703.db2.gz LKGKAWVZQCINGY-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573754924 948751057 /nfs/dbraw/zinc/75/10/57/948751057.db2.gz LKGKAWVZQCINGY-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573754924 948751048 /nfs/dbraw/zinc/75/10/48/948751048.db2.gz LKGKAWVZQCINGY-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754935 948749345 /nfs/dbraw/zinc/74/93/45/948749345.db2.gz LQFRWVDEPMEGRF-LLVKDONJSA-N 1 2 388.432 -0.624 20 0 GBADLO C[C@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754935 948749341 /nfs/dbraw/zinc/74/93/41/948749341.db2.gz LQFRWVDEPMEGRF-LLVKDONJSA-N 1 2 388.432 -0.624 20 0 GBADLO C[C@@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754936 948751139 /nfs/dbraw/zinc/75/11/39/948751139.db2.gz LQFRWVDEPMEGRF-NSHDSACASA-N 1 2 388.432 -0.624 20 0 GBADLO C[C@@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001573754936 948751128 /nfs/dbraw/zinc/75/11/28/948751128.db2.gz LQFRWVDEPMEGRF-NSHDSACASA-N 1 2 388.432 -0.624 20 0 GBADLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573755263 948759133 /nfs/dbraw/zinc/75/91/33/948759133.db2.gz NRIIYXCXMFKKPC-BDAKNGLRSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573755263 948759117 /nfs/dbraw/zinc/75/91/17/948759117.db2.gz NRIIYXCXMFKKPC-BDAKNGLRSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573755264 948760593 /nfs/dbraw/zinc/76/05/93/948760593.db2.gz NRIIYXCXMFKKPC-DTWKUNHWSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573755264 948760583 /nfs/dbraw/zinc/76/05/83/948760583.db2.gz NRIIYXCXMFKKPC-DTWKUNHWSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573755265 948760767 /nfs/dbraw/zinc/76/07/67/948760767.db2.gz NRIIYXCXMFKKPC-IUCAKERBSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573755265 948760759 /nfs/dbraw/zinc/76/07/59/948760759.db2.gz NRIIYXCXMFKKPC-IUCAKERBSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573755266 948759923 /nfs/dbraw/zinc/75/99/23/948759923.db2.gz NRIIYXCXMFKKPC-RKDXNWHRSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573755266 948759913 /nfs/dbraw/zinc/75/99/13/948759913.db2.gz NRIIYXCXMFKKPC-RKDXNWHRSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573755307 948760444 /nfs/dbraw/zinc/76/04/44/948760444.db2.gz ONGDPJPUKUXOQA-PSASIEDQSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573755307 948760432 /nfs/dbraw/zinc/76/04/32/948760432.db2.gz ONGDPJPUKUXOQA-PSASIEDQSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573755308 948759621 /nfs/dbraw/zinc/75/96/21/948759621.db2.gz ONGDPJPUKUXOQA-SCZZXKLOSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573755308 948759611 /nfs/dbraw/zinc/75/96/11/948759611.db2.gz ONGDPJPUKUXOQA-SCZZXKLOSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573755309 948761245 /nfs/dbraw/zinc/76/12/45/948761245.db2.gz ONGDPJPUKUXOQA-WCBMZHEXSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573755309 948761236 /nfs/dbraw/zinc/76/12/36/948761236.db2.gz ONGDPJPUKUXOQA-WCBMZHEXSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573755310 948761078 /nfs/dbraw/zinc/76/10/78/948761078.db2.gz ONGDPJPUKUXOQA-WPRPVWTQSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573755310 948761062 /nfs/dbraw/zinc/76/10/62/948761062.db2.gz ONGDPJPUKUXOQA-WPRPVWTQSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573755681 948778817 /nfs/dbraw/zinc/77/88/17/948778817.db2.gz SHMPGPTWQCGHQR-PSASIEDQSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573755681 948778800 /nfs/dbraw/zinc/77/88/00/948778800.db2.gz SHMPGPTWQCGHQR-PSASIEDQSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573755682 948779574 /nfs/dbraw/zinc/77/95/74/948779574.db2.gz SHMPGPTWQCGHQR-SCZZXKLOSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573755682 948779559 /nfs/dbraw/zinc/77/95/59/948779559.db2.gz SHMPGPTWQCGHQR-SCZZXKLOSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573755683 948779302 /nfs/dbraw/zinc/77/93/02/948779302.db2.gz SHMPGPTWQCGHQR-WCBMZHEXSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573755683 948779288 /nfs/dbraw/zinc/77/92/88/948779288.db2.gz SHMPGPTWQCGHQR-WCBMZHEXSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573755684 948779796 /nfs/dbraw/zinc/77/97/96/948779796.db2.gz SHMPGPTWQCGHQR-WPRPVWTQSA-N 1 2 382.375 -0.244 20 0 GBADLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573755684 948779779 /nfs/dbraw/zinc/77/97/79/948779779.db2.gz SHMPGPTWQCGHQR-WPRPVWTQSA-N 1 2 382.375 -0.244 20 0 GBADLO CC(C)(C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1)c1cnc[nH]1 ZINC001573761338 948842354 /nfs/dbraw/zinc/84/23/54/948842354.db2.gz HHGDKPQJDGRUBN-UHFFFAOYSA-N 1 2 385.432 -0.383 20 0 GBADLO CC(C)(C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1)[NH+]1CCCCC1 ZINC001573761369 948841368 /nfs/dbraw/zinc/84/13/68/948841368.db2.gz HXWGBCHJNKTOEU-UHFFFAOYSA-N 1 2 388.432 -0.223 20 0 GBADLO CC(C)(C(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1)c1c[nH+]c[nH]1 ZINC001573762045 948853091 /nfs/dbraw/zinc/85/30/91/948853091.db2.gz QGEIFANQLCEJHC-UHFFFAOYSA-N 1 2 386.420 -0.410 20 0 GBADLO CC(C)(C(=O)N(CCO)CCNc1cncc(-c2nn[nH]n2)n1)c1c[nH+]c[nH]1 ZINC001573762300 948851426 /nfs/dbraw/zinc/85/14/26/948851426.db2.gz SBLQWSUEWKAPRX-UHFFFAOYSA-N 1 2 386.420 -0.410 20 0 GBADLO CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1)c1c[nH+]c[nH]1 ZINC001573762649 948857206 /nfs/dbraw/zinc/85/72/06/948857206.db2.gz WYTKZQNMIZAJAG-UHFFFAOYSA-N 1 2 386.420 -0.410 20 0 GBADLO CC(C)(C(=O)N(CCO)CCNc1cnc(-c2nn[nH]n2)cn1)c1c[nH+]c[nH]1 ZINC001573762721 948859523 /nfs/dbraw/zinc/85/95/23/948859523.db2.gz ZNYRCNXNZCWEND-UHFFFAOYSA-N 1 2 386.420 -0.410 20 0 GBADLO CC(C)(C(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[NH+]1CCCCC1 ZINC001573781631 949112524 /nfs/dbraw/zinc/11/25/24/949112524.db2.gz LJAFANASFIILCK-UHFFFAOYSA-N 1 2 376.421 -0.490 20 0 GBADLO CC(C)(C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O)c1c[nH]cn1 ZINC001573786874 949151268 /nfs/dbraw/zinc/15/12/68/949151268.db2.gz APASGCIQFKUFPS-DGCLKSJQSA-N 1 2 383.416 -0.372 20 0 GBADLO CC(C)(C(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@@H]1O)[NH+]1CCCC1 ZINC001573787427 949180363 /nfs/dbraw/zinc/18/03/63/949180363.db2.gz ZCYDTGJRNUEQLC-HIFRSBDPSA-N 1 2 386.460 -0.198 20 0 GBADLO CC(C)(C(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1O)[NH+]1CCCC1 ZINC001573787428 949179936 /nfs/dbraw/zinc/17/99/36/949179936.db2.gz ZCYDTGJRNUEQLC-UKRRQHHQSA-N 1 2 386.460 -0.198 20 0 GBADLO CC(C)(C(N)=O)C(=O)NC1(CCO)C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573788266 949196081 /nfs/dbraw/zinc/19/60/81/949196081.db2.gz JOMWUKJDSHCCCH-UHFFFAOYSA-N 1 2 387.444 -0.569 20 0 GBADLO CC(C)(C(N)=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573788677 949202731 /nfs/dbraw/zinc/20/27/31/949202731.db2.gz SFKMDMWKVFYVSU-AWEZNQCLSA-N 1 2 387.444 -0.305 20 0 GBADLO CC(C)(C(N)=O)C(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573788677 949202710 /nfs/dbraw/zinc/20/27/10/949202710.db2.gz SFKMDMWKVFYVSU-AWEZNQCLSA-N 1 2 387.444 -0.305 20 0 GBADLO CC(C)(C(N)=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573788678 949203106 /nfs/dbraw/zinc/20/31/06/949203106.db2.gz SFKMDMWKVFYVSU-CQSZACIVSA-N 1 2 387.444 -0.305 20 0 GBADLO CC(C)(C(N)=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573788678 949203095 /nfs/dbraw/zinc/20/30/95/949203095.db2.gz SFKMDMWKVFYVSU-CQSZACIVSA-N 1 2 387.444 -0.305 20 0 GBADLO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001573854705 950347193 /nfs/dbraw/zinc/34/71/93/950347193.db2.gz CQKUDMGXGPQUJZ-JTQLQIEISA-N 1 2 376.421 -0.634 20 0 GBADLO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001573854705 950347178 /nfs/dbraw/zinc/34/71/78/950347178.db2.gz CQKUDMGXGPQUJZ-JTQLQIEISA-N 1 2 376.421 -0.634 20 0 GBADLO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001573854706 950347796 /nfs/dbraw/zinc/34/77/96/950347796.db2.gz CQKUDMGXGPQUJZ-SNVBAGLBSA-N 1 2 376.421 -0.634 20 0 GBADLO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001573854706 950347777 /nfs/dbraw/zinc/34/77/77/950347777.db2.gz CQKUDMGXGPQUJZ-SNVBAGLBSA-N 1 2 376.421 -0.634 20 0 GBADLO CC(C)(C)[NH+]1CCC(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001573854822 950352793 /nfs/dbraw/zinc/35/27/93/950352793.db2.gz GJWGQRSHOMRJAX-UHFFFAOYSA-N 1 2 376.421 -0.492 20 0 GBADLO CC(C)(C)[NH+]1CCC(NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001573854900 950353897 /nfs/dbraw/zinc/35/38/97/950353897.db2.gz GXUHBSBTGPCTLC-UHFFFAOYSA-N 1 2 390.448 -0.102 20 0 GBADLO CC(C)(C)[N@H+]1CCCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001573854907 950353412 /nfs/dbraw/zinc/35/34/12/950353412.db2.gz HDURJPWQGOTIHF-UHFFFAOYSA-N 1 2 390.448 -0.148 20 0 GBADLO CC(C)(C)[N@@H+]1CCCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001573854907 950353394 /nfs/dbraw/zinc/35/33/94/950353394.db2.gz HDURJPWQGOTIHF-UHFFFAOYSA-N 1 2 390.448 -0.148 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573855416 950371627 /nfs/dbraw/zinc/37/16/27/950371627.db2.gz UHHRLUUVIZUUEJ-AAEUAGOBSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573855416 950371609 /nfs/dbraw/zinc/37/16/09/950371609.db2.gz UHHRLUUVIZUUEJ-AAEUAGOBSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001573855417 950370997 /nfs/dbraw/zinc/37/09/97/950370997.db2.gz UHHRLUUVIZUUEJ-DGCLKSJQSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001573855417 950370982 /nfs/dbraw/zinc/37/09/82/950370982.db2.gz UHHRLUUVIZUUEJ-DGCLKSJQSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001573855418 950374574 /nfs/dbraw/zinc/37/45/74/950374574.db2.gz UHHRLUUVIZUUEJ-WCQYABFASA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001573855418 950374544 /nfs/dbraw/zinc/37/45/44/950374544.db2.gz UHHRLUUVIZUUEJ-WCQYABFASA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573855419 950372601 /nfs/dbraw/zinc/37/26/01/950372601.db2.gz UHHRLUUVIZUUEJ-YPMHNXCESA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001573855419 950372583 /nfs/dbraw/zinc/37/25/83/950372583.db2.gz UHHRLUUVIZUUEJ-YPMHNXCESA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001573855469 950376149 /nfs/dbraw/zinc/37/61/49/950376149.db2.gz UXCRWRSXQVMVKG-JTQLQIEISA-N 1 2 376.421 -0.492 20 0 GBADLO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001573855469 950376128 /nfs/dbraw/zinc/37/61/28/950376128.db2.gz UXCRWRSXQVMVKG-JTQLQIEISA-N 1 2 376.421 -0.492 20 0 GBADLO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001573855470 950376738 /nfs/dbraw/zinc/37/67/38/950376738.db2.gz UXCRWRSXQVMVKG-SNVBAGLBSA-N 1 2 376.421 -0.492 20 0 GBADLO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001573855470 950376717 /nfs/dbraw/zinc/37/67/17/950376717.db2.gz UXCRWRSXQVMVKG-SNVBAGLBSA-N 1 2 376.421 -0.492 20 0 GBADLO CC(C)(C)[NH+]1CCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001573855472 950377946 /nfs/dbraw/zinc/37/79/46/950377946.db2.gz VAFLXWGYOHNNRZ-UHFFFAOYSA-N 1 2 376.421 -0.538 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573855477 950378832 /nfs/dbraw/zinc/37/88/32/950378832.db2.gz VGJKMZKUKTXZJE-AAEUAGOBSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573855477 950378811 /nfs/dbraw/zinc/37/88/11/950378811.db2.gz VGJKMZKUKTXZJE-AAEUAGOBSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001573855478 950381451 /nfs/dbraw/zinc/38/14/51/950381451.db2.gz VGJKMZKUKTXZJE-DGCLKSJQSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001573855478 950381426 /nfs/dbraw/zinc/38/14/26/950381426.db2.gz VGJKMZKUKTXZJE-DGCLKSJQSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001573855479 950376524 /nfs/dbraw/zinc/37/65/24/950376524.db2.gz VGJKMZKUKTXZJE-WCQYABFASA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001573855479 950376508 /nfs/dbraw/zinc/37/65/08/950376508.db2.gz VGJKMZKUKTXZJE-WCQYABFASA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573855480 950379093 /nfs/dbraw/zinc/37/90/93/950379093.db2.gz VGJKMZKUKTXZJE-YPMHNXCESA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001573855480 950379072 /nfs/dbraw/zinc/37/90/72/950379072.db2.gz VGJKMZKUKTXZJE-YPMHNXCESA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573855494 950381781 /nfs/dbraw/zinc/38/17/81/950381781.db2.gz VYTZJEBXGDODQZ-GWCFXTLKSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573855494 950381761 /nfs/dbraw/zinc/38/17/61/950381761.db2.gz VYTZJEBXGDODQZ-GWCFXTLKSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001573855495 950376333 /nfs/dbraw/zinc/37/63/33/950376333.db2.gz VYTZJEBXGDODQZ-GXFFZTMASA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001573855495 950376313 /nfs/dbraw/zinc/37/63/13/950376313.db2.gz VYTZJEBXGDODQZ-GXFFZTMASA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573855496 950380625 /nfs/dbraw/zinc/38/06/25/950380625.db2.gz VYTZJEBXGDODQZ-MFKMUULPSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001573855496 950380606 /nfs/dbraw/zinc/38/06/06/950380606.db2.gz VYTZJEBXGDODQZ-MFKMUULPSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001573855497 950377142 /nfs/dbraw/zinc/37/71/42/950377142.db2.gz VYTZJEBXGDODQZ-ZWNOBZJWSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001573855497 950377125 /nfs/dbraw/zinc/37/71/25/950377125.db2.gz VYTZJEBXGDODQZ-ZWNOBZJWSA-N 1 2 390.448 -0.726 20 0 GBADLO CC(C)(C)OCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001573870154 950587053 /nfs/dbraw/zinc/58/70/53/950587053.db2.gz FJNHJBQRBFVINA-UHFFFAOYSA-N 1 2 389.464 -0.290 20 0 GBADLO CC(C)(C)OCC(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001573870552 950597055 /nfs/dbraw/zinc/59/70/55/950597055.db2.gz IDPZUHYXYNHMDZ-UHFFFAOYSA-N 1 2 389.464 -0.290 20 0 GBADLO CC(C)(C)c1noc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001573884157 950788386 /nfs/dbraw/zinc/78/83/86/950788386.db2.gz AHPNMZRGONQVMO-JTQLQIEISA-N 1 2 389.420 -0.244 20 0 GBADLO CC(C)(C)c1noc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001573884162 950785676 /nfs/dbraw/zinc/78/56/76/950785676.db2.gz AHPNMZRGONQVMO-SNVBAGLBSA-N 1 2 389.420 -0.244 20 0 GBADLO CC(C)(C)c1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)o1 ZINC001573884578 950800628 /nfs/dbraw/zinc/80/06/28/950800628.db2.gz FTGMQECIROTQOQ-JTQLQIEISA-N 1 2 389.420 -0.244 20 0 GBADLO CC(C)(C)c1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)o1 ZINC001573884581 950802911 /nfs/dbraw/zinc/80/29/11/950802911.db2.gz FTGMQECIROTQOQ-SNVBAGLBSA-N 1 2 389.420 -0.244 20 0 GBADLO CC(C)(C)c1nnc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001573884697 950799689 /nfs/dbraw/zinc/79/96/89/950799689.db2.gz JCLKSPIJQLLKAX-JTQLQIEISA-N 1 2 389.420 -0.244 20 0 GBADLO CC(C)(C)c1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001573884699 950801201 /nfs/dbraw/zinc/80/12/01/950801201.db2.gz JCLKSPIJQLLKAX-SNVBAGLBSA-N 1 2 389.420 -0.244 20 0 GBADLO CC(C)(C)c1noc(C[NH2+]C[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001573885111 950816855 /nfs/dbraw/zinc/81/68/55/950816855.db2.gz PIFJSNCJPMHEFL-JTQLQIEISA-N 1 2 389.420 -0.244 20 0 GBADLO CC(C)(C)c1noc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001573885112 950815319 /nfs/dbraw/zinc/81/53/19/950815319.db2.gz PIFJSNCJPMHEFL-SNVBAGLBSA-N 1 2 389.420 -0.244 20 0 GBADLO CC(C)(C)n1nnnc1C[NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573893402 950881133 /nfs/dbraw/zinc/88/11/33/950881133.db2.gz DLICFIGCIIZQQB-UHFFFAOYSA-N 1 2 385.436 -0.012 20 0 GBADLO CC(C)(C)n1nnnc1C[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573893475 950884332 /nfs/dbraw/zinc/88/43/32/950884332.db2.gz HQXSBYWIKIRLKD-UHFFFAOYSA-N 1 2 385.436 -0.012 20 0 GBADLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001573893628 950894353 /nfs/dbraw/zinc/89/43/53/950894353.db2.gz NXTHSMFLSXHNPJ-PHIMTYICSA-N 1 2 385.436 -0.013 20 0 GBADLO CC(C)(C)n1nnnc1C[NH2+]C1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573893659 950894281 /nfs/dbraw/zinc/89/42/81/950894281.db2.gz PVFWRSJLUPENTD-UHFFFAOYSA-N 1 2 385.436 -0.012 20 0 GBADLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001573893705 950901060 /nfs/dbraw/zinc/90/10/60/950901060.db2.gz RWKUKJNQEYRFSH-PHIMTYICSA-N 1 2 385.436 -0.013 20 0 GBADLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001573893706 950900435 /nfs/dbraw/zinc/90/04/35/950900435.db2.gz RWKUKJNQEYRFSH-XYPYZODXSA-N 1 2 385.436 -0.013 20 0 GBADLO CC(C)(C)n1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573893776 950903990 /nfs/dbraw/zinc/90/39/90/950903990.db2.gz VYMIBOZICBSOMN-LLVKDONJSA-N 1 2 388.436 -0.578 20 0 GBADLO CC(C)(C)n1ncnc1C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573893777 950905357 /nfs/dbraw/zinc/90/53/57/950905357.db2.gz VYMIBOZICBSOMN-NSHDSACASA-N 1 2 388.436 -0.578 20 0 GBADLO CC(C)(C)n1ncnc1C[NH2+][C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573893839 950908078 /nfs/dbraw/zinc/90/80/78/950908078.db2.gz YZOGFKQPLFRMTH-LLVKDONJSA-N 1 2 388.436 -0.578 20 0 GBADLO CC(C)(C)n1ncnc1C[NH2+][C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573893840 950909156 /nfs/dbraw/zinc/90/91/56/950909156.db2.gz YZOGFKQPLFRMTH-NSHDSACASA-N 1 2 388.436 -0.578 20 0 GBADLO CC(C)(C)n1cc(C[NH2+][C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001573893879 950908658 /nfs/dbraw/zinc/90/86/58/950908658.db2.gz AGEWWJVZWJLMGI-GFCCVEGCSA-N 1 2 388.436 -0.578 20 0 GBADLO CC(C)(C)n1cc(C[NH2+][C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001573893880 950909985 /nfs/dbraw/zinc/90/99/85/950909985.db2.gz AGEWWJVZWJLMGI-LBPRGKRZSA-N 1 2 388.436 -0.578 20 0 GBADLO CC(C)(C)n1cc(C[NH2+][C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001573894137 950921447 /nfs/dbraw/zinc/92/14/47/950921447.db2.gz NHSGXBXWBCRLQP-LLVKDONJSA-N 1 2 388.436 -0.578 20 0 GBADLO CC(C)(C)n1cc(C[NH2+][C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001573894138 950923546 /nfs/dbraw/zinc/92/35/46/950923546.db2.gz NHSGXBXWBCRLQP-NSHDSACASA-N 1 2 388.436 -0.578 20 0 GBADLO CC(C)(C)n1cc(C[NH2+][C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 ZINC001573894516 950931920 /nfs/dbraw/zinc/93/19/20/950931920.db2.gz UFGBVPDDHIVESB-GFCCVEGCSA-N 1 2 388.436 -0.578 20 0 GBADLO CC(C)(C)n1cc(C[NH2+][C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 ZINC001573894517 950933768 /nfs/dbraw/zinc/93/37/68/950933768.db2.gz UFGBVPDDHIVESB-LBPRGKRZSA-N 1 2 388.436 -0.578 20 0 GBADLO CC(C)[C@@H](F)C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001574082051 948847123 /nfs/dbraw/zinc/84/71/23/948847123.db2.gz ZZETZGSEJUFABN-GFCCVEGCSA-N 1 2 377.428 -0.111 20 0 GBADLO CC(C)[C@H](F)C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001574082052 948845181 /nfs/dbraw/zinc/84/51/81/948845181.db2.gz ZZETZGSEJUFABN-LBPRGKRZSA-N 1 2 377.428 -0.111 20 0 GBADLO CC(C)C[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[NH+](C)C ZINC001574148812 949992442 /nfs/dbraw/zinc/99/24/42/949992442.db2.gz QRAJBBBEGIOOCO-LLVKDONJSA-N 1 2 378.437 -0.388 20 0 GBADLO CC(C)C[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[NH+](C)C ZINC001574148813 949993868 /nfs/dbraw/zinc/99/38/68/949993868.db2.gz QRAJBBBEGIOOCO-NSHDSACASA-N 1 2 378.437 -0.388 20 0 GBADLO CC(C)C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574152723 950118346 /nfs/dbraw/zinc/11/83/46/950118346.db2.gz IPJZQIAFMFNPMG-LLVKDONJSA-N 1 2 388.436 -0.449 20 0 GBADLO CC(C)C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574152724 950114879 /nfs/dbraw/zinc/11/48/79/950114879.db2.gz IPJZQIAFMFNPMG-NSHDSACASA-N 1 2 388.436 -0.449 20 0 GBADLO CC(C)C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574153069 950127168 /nfs/dbraw/zinc/12/71/68/950127168.db2.gz MHSONUAEZJIWIO-JTQLQIEISA-N 1 2 388.436 -0.449 20 0 GBADLO CC(C)C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574153071 950125942 /nfs/dbraw/zinc/12/59/42/950125942.db2.gz MHSONUAEZJIWIO-SNVBAGLBSA-N 1 2 388.436 -0.449 20 0 GBADLO CC(C)C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574153812 950153501 /nfs/dbraw/zinc/15/35/01/950153501.db2.gz XGNQYFKLOJJEJB-LLVKDONJSA-N 1 2 388.436 -0.449 20 0 GBADLO CC(C)C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574153813 950152829 /nfs/dbraw/zinc/15/28/29/950152829.db2.gz XGNQYFKLOJJEJB-NSHDSACASA-N 1 2 388.436 -0.449 20 0 GBADLO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574155518 950198761 /nfs/dbraw/zinc/19/87/61/950198761.db2.gz MQLOXEJYGHNDQP-GXTWGEPZSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574155518 950198748 /nfs/dbraw/zinc/19/87/48/950198748.db2.gz MQLOXEJYGHNDQP-GXTWGEPZSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574155519 950197374 /nfs/dbraw/zinc/19/73/74/950197374.db2.gz MQLOXEJYGHNDQP-JSGCOSHPSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574155519 950197361 /nfs/dbraw/zinc/19/73/61/950197361.db2.gz MQLOXEJYGHNDQP-JSGCOSHPSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574155520 950197446 /nfs/dbraw/zinc/19/74/46/950197446.db2.gz MQLOXEJYGHNDQP-OCCSQVGLSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574155520 950197427 /nfs/dbraw/zinc/19/74/27/950197427.db2.gz MQLOXEJYGHNDQP-OCCSQVGLSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574155521 950199136 /nfs/dbraw/zinc/19/91/36/950199136.db2.gz MQLOXEJYGHNDQP-TZMCWYRMSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574155521 950199125 /nfs/dbraw/zinc/19/91/25/950199125.db2.gz MQLOXEJYGHNDQP-TZMCWYRMSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574159292 950301847 /nfs/dbraw/zinc/30/18/47/950301847.db2.gz VRUGAZFROAUVEZ-GXTWGEPZSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574159292 950301825 /nfs/dbraw/zinc/30/18/25/950301825.db2.gz VRUGAZFROAUVEZ-GXTWGEPZSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574159293 950302064 /nfs/dbraw/zinc/30/20/64/950302064.db2.gz VRUGAZFROAUVEZ-JSGCOSHPSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574159293 950302044 /nfs/dbraw/zinc/30/20/44/950302044.db2.gz VRUGAZFROAUVEZ-JSGCOSHPSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574159294 950301240 /nfs/dbraw/zinc/30/12/40/950301240.db2.gz VRUGAZFROAUVEZ-OCCSQVGLSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574159294 950301223 /nfs/dbraw/zinc/30/12/23/950301223.db2.gz VRUGAZFROAUVEZ-OCCSQVGLSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574159295 950300651 /nfs/dbraw/zinc/30/06/51/950300651.db2.gz VRUGAZFROAUVEZ-TZMCWYRMSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574159295 950300633 /nfs/dbraw/zinc/30/06/33/950300633.db2.gz VRUGAZFROAUVEZ-TZMCWYRMSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574162098 950374925 /nfs/dbraw/zinc/37/49/25/950374925.db2.gz YZZUWXBSTNYORU-GXTWGEPZSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574162098 950374901 /nfs/dbraw/zinc/37/49/01/950374901.db2.gz YZZUWXBSTNYORU-GXTWGEPZSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574162099 950376422 /nfs/dbraw/zinc/37/64/22/950376422.db2.gz YZZUWXBSTNYORU-JSGCOSHPSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574162099 950376404 /nfs/dbraw/zinc/37/64/04/950376404.db2.gz YZZUWXBSTNYORU-JSGCOSHPSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574162100 950376194 /nfs/dbraw/zinc/37/61/94/950376194.db2.gz YZZUWXBSTNYORU-OCCSQVGLSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574162100 950376180 /nfs/dbraw/zinc/37/61/80/950376180.db2.gz YZZUWXBSTNYORU-OCCSQVGLSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574162101 950376802 /nfs/dbraw/zinc/37/68/02/950376802.db2.gz YZZUWXBSTNYORU-TZMCWYRMSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574162101 950376783 /nfs/dbraw/zinc/37/67/83/950376783.db2.gz YZZUWXBSTNYORU-TZMCWYRMSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574162858 950406126 /nfs/dbraw/zinc/40/61/26/950406126.db2.gz KJXYUCXFRVEEDT-CHWSQXEVSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574162858 950406113 /nfs/dbraw/zinc/40/61/13/950406113.db2.gz KJXYUCXFRVEEDT-CHWSQXEVSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574162859 950404617 /nfs/dbraw/zinc/40/46/17/950404617.db2.gz KJXYUCXFRVEEDT-OLZOCXBDSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574162859 950404598 /nfs/dbraw/zinc/40/45/98/950404598.db2.gz KJXYUCXFRVEEDT-OLZOCXBDSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574162860 950403018 /nfs/dbraw/zinc/40/30/18/950403018.db2.gz KJXYUCXFRVEEDT-QWHCGFSZSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574162860 950403000 /nfs/dbraw/zinc/40/30/00/950403000.db2.gz KJXYUCXFRVEEDT-QWHCGFSZSA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574162861 950406701 /nfs/dbraw/zinc/40/67/01/950406701.db2.gz KJXYUCXFRVEEDT-STQMWFEESA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574162861 950406689 /nfs/dbraw/zinc/40/66/89/950406689.db2.gz KJXYUCXFRVEEDT-STQMWFEESA-N 1 2 389.464 -0.070 20 0 GBADLO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574167973 950499102 /nfs/dbraw/zinc/49/91/02/950499102.db2.gz MHKOFZUGSSLWOF-GFCCVEGCSA-N 1 2 390.448 -0.292 20 0 GBADLO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574167973 950499093 /nfs/dbraw/zinc/49/90/93/950499093.db2.gz MHKOFZUGSSLWOF-GFCCVEGCSA-N 1 2 390.448 -0.292 20 0 GBADLO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574167974 950498100 /nfs/dbraw/zinc/49/81/00/950498100.db2.gz MHKOFZUGSSLWOF-LBPRGKRZSA-N 1 2 390.448 -0.292 20 0 GBADLO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574167974 950498093 /nfs/dbraw/zinc/49/80/93/950498093.db2.gz MHKOFZUGSSLWOF-LBPRGKRZSA-N 1 2 390.448 -0.292 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001574241907 960465161 /nfs/dbraw/zinc/46/51/61/960465161.db2.gz IBCHNHFEVXVLHX-UHFFFAOYSA-N 1 2 390.506 -0.656 20 0 GBADLO CC(C)c1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[nH]1 ZINC001574426054 948886864 /nfs/dbraw/zinc/88/68/64/948886864.db2.gz QALILGDJUNPCPZ-LLVKDONJSA-N 1 2 388.436 -0.341 20 0 GBADLO CC(C)c1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[nH]1 ZINC001574426058 948889699 /nfs/dbraw/zinc/88/96/99/948889699.db2.gz QALILGDJUNPCPZ-NSHDSACASA-N 1 2 388.436 -0.341 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574431815 948925518 /nfs/dbraw/zinc/92/55/18/948925518.db2.gz CFEIWWSZYZLJLX-LLVKDONJSA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574431827 948923943 /nfs/dbraw/zinc/92/39/43/948923943.db2.gz CFEIWWSZYZLJLX-NSHDSACASA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432223 948928303 /nfs/dbraw/zinc/92/83/03/948928303.db2.gz FUCBICKNXPVPNQ-GFCCVEGCSA-N 1 2 385.432 -0.407 20 0 GBADLO CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432224 948928794 /nfs/dbraw/zinc/92/87/94/948928794.db2.gz FUCBICKNXPVPNQ-LBPRGKRZSA-N 1 2 385.432 -0.407 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001574432269 948932339 /nfs/dbraw/zinc/93/23/39/948932339.db2.gz HXSRMEDTPIHLKJ-LLVKDONJSA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001574432270 948931339 /nfs/dbraw/zinc/93/13/39/948931339.db2.gz HXSRMEDTPIHLKJ-NSHDSACASA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1cncc(-c2nn[nH]n2)n1 ZINC001574432276 948931132 /nfs/dbraw/zinc/93/11/32/948931132.db2.gz IJWJBXPXPRCUMX-LLVKDONJSA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1 ZINC001574432277 948930868 /nfs/dbraw/zinc/93/08/68/948930868.db2.gz IJWJBXPXPRCUMX-NSHDSACASA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](CO)Nc1nccnc1-c1nn[nH]n1 ZINC001574432459 948931236 /nfs/dbraw/zinc/93/12/36/948931236.db2.gz JYSPXZDCTOEWEL-LLVKDONJSA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[nH]n1 ZINC001574432461 948933087 /nfs/dbraw/zinc/93/30/87/948933087.db2.gz JYSPXZDCTOEWEL-NSHDSACASA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574432487 948934873 /nfs/dbraw/zinc/93/48/73/948934873.db2.gz KVJNFEJQPMSLQL-LLVKDONJSA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574432488 948936630 /nfs/dbraw/zinc/93/66/30/948936630.db2.gz KVJNFEJQPMSLQL-NSHDSACASA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001574432530 948934690 /nfs/dbraw/zinc/93/46/90/948934690.db2.gz MCDZYJKSLGMXAR-LLVKDONJSA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001574432531 948935778 /nfs/dbraw/zinc/93/57/78/948935778.db2.gz MCDZYJKSLGMXAR-NSHDSACASA-N 1 2 386.420 -0.434 20 0 GBADLO CC(C)c1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001574433962 948969608 /nfs/dbraw/zinc/96/96/08/948969608.db2.gz AMBQWKLVSMLUQK-LLVKDONJSA-N 1 2 389.420 -0.076 20 0 GBADLO CC(C)c1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001574433963 948970291 /nfs/dbraw/zinc/97/02/91/948970291.db2.gz AMBQWKLVSMLUQK-NSHDSACASA-N 1 2 389.420 -0.076 20 0 GBADLO CC(C)c1nnc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001574434264 948976426 /nfs/dbraw/zinc/97/64/26/948976426.db2.gz FVNBXCDMHOSMSW-JTQLQIEISA-N 1 2 375.393 -0.418 20 0 GBADLO CC(C)c1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001574434265 948977011 /nfs/dbraw/zinc/97/70/11/948977011.db2.gz FVNBXCDMHOSMSW-SNVBAGLBSA-N 1 2 375.393 -0.418 20 0 GBADLO CC(C)c1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001574434647 948983915 /nfs/dbraw/zinc/98/39/15/948983915.db2.gz LRRKHROKKUGDAM-JTQLQIEISA-N 1 2 389.420 -0.076 20 0 GBADLO CC(C)c1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001574434648 948984590 /nfs/dbraw/zinc/98/45/90/948984590.db2.gz LRRKHROKKUGDAM-SNVBAGLBSA-N 1 2 389.420 -0.076 20 0 GBADLO CC(C)c1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)o1 ZINC001574435323 948989985 /nfs/dbraw/zinc/98/99/85/948989985.db2.gz SWLWVWFKPAXCSU-LLVKDONJSA-N 1 2 389.420 -0.076 20 0 GBADLO CC(C)c1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)o1 ZINC001574435325 948994053 /nfs/dbraw/zinc/99/40/53/948994053.db2.gz SWLWVWFKPAXCSU-NSHDSACASA-N 1 2 389.420 -0.076 20 0 GBADLO CC(C)c1nnc(C[NH2+]CCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)o1 ZINC001574435596 948998474 /nfs/dbraw/zinc/99/84/74/948998474.db2.gz WGJHIEANPCGPNL-UHFFFAOYSA-N 1 2 389.420 -0.075 20 0 GBADLO CC(C)c1nnnn1CC(=O)NC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574435677 948999737 /nfs/dbraw/zinc/99/97/37/948999737.db2.gz YBGWZYPVXOGHTM-UHFFFAOYSA-N 1 2 382.432 -0.023 20 0 GBADLO CC(C)c1nnnn1CC(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574435694 948996875 /nfs/dbraw/zinc/99/68/75/948996875.db2.gz YFXKTOAQEBYQPB-UHFFFAOYSA-N 1 2 382.432 -0.023 20 0 GBADLO CC(C)c1noc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574439489 949007685 /nfs/dbraw/zinc/00/76/85/949007685.db2.gz FRSZTSFETLDKFX-SECBINFHSA-N 1 2 375.393 -0.418 20 0 GBADLO CC(C)c1noc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574439491 949007213 /nfs/dbraw/zinc/00/72/13/949007213.db2.gz FRSZTSFETLDKFX-VIFPVBQESA-N 1 2 375.393 -0.418 20 0 GBADLO CC(C)c1noc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574439589 949013580 /nfs/dbraw/zinc/01/35/80/949013580.db2.gz HYXOHFFFMOHEIT-JTQLQIEISA-N 1 2 375.393 -0.418 20 0 GBADLO CC(C)c1noc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574439591 949010318 /nfs/dbraw/zinc/01/03/18/949010318.db2.gz HYXOHFFFMOHEIT-SNVBAGLBSA-N 1 2 375.393 -0.418 20 0 GBADLO CC(C)c1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574440565 949034786 /nfs/dbraw/zinc/03/47/86/949034786.db2.gz SMJJBCQQBYZNCE-LLVKDONJSA-N 1 2 389.420 -0.076 20 0 GBADLO CC(C)c1noc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574440567 949033520 /nfs/dbraw/zinc/03/35/20/949033520.db2.gz SMJJBCQQBYZNCE-NSHDSACASA-N 1 2 389.420 -0.076 20 0 GBADLO CC(C)c1noc(C[NH2+]C[C@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574440881 949041033 /nfs/dbraw/zinc/04/10/33/949041033.db2.gz XSDLAESCVBKQHW-JTQLQIEISA-N 1 2 375.393 -0.418 20 0 GBADLO CC(C)c1noc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574440882 949041424 /nfs/dbraw/zinc/04/14/24/949041424.db2.gz XSDLAESCVBKQHW-SNVBAGLBSA-N 1 2 375.393 -0.418 20 0 GBADLO CC(C)c1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574440894 949041106 /nfs/dbraw/zinc/04/11/06/949041106.db2.gz YIENHMLZCKVHNQ-LLVKDONJSA-N 1 2 389.420 -0.076 20 0 GBADLO CC(C)c1noc(C[NH2+]C[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574440895 949043095 /nfs/dbraw/zinc/04/30/95/949043095.db2.gz YIENHMLZCKVHNQ-NSHDSACASA-N 1 2 389.420 -0.076 20 0 GBADLO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574470365 949499056 /nfs/dbraw/zinc/49/90/56/949499056.db2.gz BOXCSBRBIZJDQS-JTQLQIEISA-N 1 2 376.421 -0.682 20 0 GBADLO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574470366 949497482 /nfs/dbraw/zinc/49/74/82/949497482.db2.gz BOXCSBRBIZJDQS-SNVBAGLBSA-N 1 2 376.421 -0.682 20 0 GBADLO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574471365 949531247 /nfs/dbraw/zinc/53/12/47/949531247.db2.gz MNANRFXJHKSWHC-LLVKDONJSA-N 1 2 390.448 -0.292 20 0 GBADLO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574471368 949534578 /nfs/dbraw/zinc/53/45/78/949534578.db2.gz MNANRFXJHKSWHC-NSHDSACASA-N 1 2 390.448 -0.292 20 0 GBADLO C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1)n1cc[nH+]c1 ZINC001574475851 949575760 /nfs/dbraw/zinc/57/57/60/949575760.db2.gz COULXOLOAHFXJR-NEPJUHHUSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1)n1cc[nH+]c1 ZINC001574475852 949577463 /nfs/dbraw/zinc/57/74/63/949577463.db2.gz COULXOLOAHFXJR-NWDGAFQWSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1)n1cc[nH+]c1 ZINC001574475853 949578083 /nfs/dbraw/zinc/57/80/83/949578083.db2.gz COULXOLOAHFXJR-RYUDHWBXSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1)n1cc[nH+]c1 ZINC001574475854 949576446 /nfs/dbraw/zinc/57/64/46/949576446.db2.gz COULXOLOAHFXJR-VXGBXAGGSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1)n1cc[nH+]c1 ZINC001574477073 949639742 /nfs/dbraw/zinc/63/97/42/949639742.db2.gz OMPSDNRFVCZGQD-NEPJUHHUSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1)n1cc[nH+]c1 ZINC001574477074 949639899 /nfs/dbraw/zinc/63/98/99/949639899.db2.gz OMPSDNRFVCZGQD-NWDGAFQWSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1)n1cc[nH+]c1 ZINC001574477075 949640160 /nfs/dbraw/zinc/64/01/60/949640160.db2.gz OMPSDNRFVCZGQD-RYUDHWBXSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1)n1cc[nH+]c1 ZINC001574477076 949640008 /nfs/dbraw/zinc/64/00/08/949640008.db2.gz OMPSDNRFVCZGQD-VXGBXAGGSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[nH]n2)n1)n1cc[nH+]c1 ZINC001574477088 949640297 /nfs/dbraw/zinc/64/02/97/949640297.db2.gz JNZXIDJXYUYFCQ-GFCCVEGCSA-N 1 2 386.420 -0.263 20 0 GBADLO C[C@@H](CC(=O)N(CCO)CCNc1cncc(-c2nn[nH]n2)n1)n1cc[nH+]c1 ZINC001574477089 949637486 /nfs/dbraw/zinc/63/74/86/949637486.db2.gz JNZXIDJXYUYFCQ-LBPRGKRZSA-N 1 2 386.420 -0.263 20 0 GBADLO C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1)n1cc[nH+]c1 ZINC001574477641 949668464 /nfs/dbraw/zinc/66/84/64/949668464.db2.gz SXDGQRXTRDSCGM-NEPJUHHUSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[nH]n2)n1)n1cc[nH+]c1 ZINC001574477642 949671492 /nfs/dbraw/zinc/67/14/92/949671492.db2.gz SXDGQRXTRDSCGM-NWDGAFQWSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1)n1cc[nH+]c1 ZINC001574477643 949669729 /nfs/dbraw/zinc/66/97/29/949669729.db2.gz SXDGQRXTRDSCGM-RYUDHWBXSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[nH]n2)n1)n1cc[nH+]c1 ZINC001574477644 949671176 /nfs/dbraw/zinc/67/11/76/949671176.db2.gz SXDGQRXTRDSCGM-VXGBXAGGSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[nH]n2)cn1)n1cc[nH+]c1 ZINC001574477882 949684876 /nfs/dbraw/zinc/68/48/76/949684876.db2.gz SPNPXWUYJVVCET-GFCCVEGCSA-N 1 2 386.420 -0.263 20 0 GBADLO C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[nH]n2)cn1)n1cc[nH+]c1 ZINC001574477884 949684482 /nfs/dbraw/zinc/68/44/82/949684482.db2.gz SPNPXWUYJVVCET-LBPRGKRZSA-N 1 2 386.420 -0.263 20 0 GBADLO C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574478494 949711762 /nfs/dbraw/zinc/71/17/62/949711762.db2.gz YJZPEBROBBFYQH-GFCCVEGCSA-N 1 2 386.420 -0.263 20 0 GBADLO C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574478497 949713993 /nfs/dbraw/zinc/71/39/93/949713993.db2.gz YJZPEBROBBFYQH-LBPRGKRZSA-N 1 2 386.420 -0.263 20 0 GBADLO C[C@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574478518 949711880 /nfs/dbraw/zinc/71/18/80/949711880.db2.gz ZZRUDIHDBWPBHU-NEPJUHHUSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574478520 949715418 /nfs/dbraw/zinc/71/54/18/949715418.db2.gz ZZRUDIHDBWPBHU-NWDGAFQWSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574478521 949712679 /nfs/dbraw/zinc/71/26/79/949712679.db2.gz ZZRUDIHDBWPBHU-RYUDHWBXSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574478523 949713413 /nfs/dbraw/zinc/71/34/13/949713413.db2.gz ZZRUDIHDBWPBHU-VXGBXAGGSA-N 1 2 386.420 -0.264 20 0 GBADLO C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1)n1cc[nH+]c1 ZINC001574478617 949714625 /nfs/dbraw/zinc/71/46/25/949714625.db2.gz ZPADWWFIKUWEEB-GFCCVEGCSA-N 1 2 386.420 -0.263 20 0 GBADLO C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1)n1cc[nH+]c1 ZINC001574478618 949712191 /nfs/dbraw/zinc/71/21/91/949712191.db2.gz ZPADWWFIKUWEEB-LBPRGKRZSA-N 1 2 386.420 -0.263 20 0 GBADLO C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574490184 949979811 /nfs/dbraw/zinc/97/98/11/949979811.db2.gz OCLBLEGJDWLMPZ-CMPLNLGQSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574490185 949979983 /nfs/dbraw/zinc/97/99/83/949979983.db2.gz OCLBLEGJDWLMPZ-JQWIXIFHSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574490186 949980066 /nfs/dbraw/zinc/98/00/66/949980066.db2.gz OCLBLEGJDWLMPZ-PWSUYJOCSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574490187 949980138 /nfs/dbraw/zinc/98/01/38/949980138.db2.gz OCLBLEGJDWLMPZ-ZYHUDNBSSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574490293 949984485 /nfs/dbraw/zinc/98/44/85/949984485.db2.gz PJCVXNVQBHEVIX-CMPLNLGQSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574490294 949987857 /nfs/dbraw/zinc/98/78/57/949987857.db2.gz PJCVXNVQBHEVIX-JQWIXIFHSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574490295 949983678 /nfs/dbraw/zinc/98/36/78/949983678.db2.gz PJCVXNVQBHEVIX-PWSUYJOCSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574490296 949987268 /nfs/dbraw/zinc/98/72/68/949987268.db2.gz PJCVXNVQBHEVIX-ZYHUDNBSSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574490789 950020224 /nfs/dbraw/zinc/02/02/24/950020224.db2.gz ZEFLOSXCUOAMTA-GHMZBOCLSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574490790 950017923 /nfs/dbraw/zinc/01/79/23/950017923.db2.gz ZEFLOSXCUOAMTA-MNOVXSKESA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574490791 950017376 /nfs/dbraw/zinc/01/73/76/950017376.db2.gz ZEFLOSXCUOAMTA-QWRGUYRKSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574490792 950018512 /nfs/dbraw/zinc/01/85/12/950018512.db2.gz ZEFLOSXCUOAMTA-WDEREUQCSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574492841 950107659 /nfs/dbraw/zinc/10/76/59/950107659.db2.gz DFAKLAPTQCPLAB-GHMZBOCLSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574492844 950107774 /nfs/dbraw/zinc/10/77/74/950107774.db2.gz DFAKLAPTQCPLAB-MNOVXSKESA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574492845 950106740 /nfs/dbraw/zinc/10/67/40/950106740.db2.gz DFAKLAPTQCPLAB-QWRGUYRKSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574492846 950107716 /nfs/dbraw/zinc/10/77/16/950107716.db2.gz DFAKLAPTQCPLAB-WDEREUQCSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574493216 950116431 /nfs/dbraw/zinc/11/64/31/950116431.db2.gz FNABEBGCNVOYMN-CMPLNLGQSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574493217 950118087 /nfs/dbraw/zinc/11/80/87/950118087.db2.gz FNABEBGCNVOYMN-JQWIXIFHSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574493218 950117923 /nfs/dbraw/zinc/11/79/23/950117923.db2.gz FNABEBGCNVOYMN-PWSUYJOCSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574493219 950118539 /nfs/dbraw/zinc/11/85/39/950118539.db2.gz FNABEBGCNVOYMN-ZYHUDNBSSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574495445 950200073 /nfs/dbraw/zinc/20/00/73/950200073.db2.gz SPAAMMYQBSJJNV-CMPLNLGQSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574495446 950202097 /nfs/dbraw/zinc/20/20/97/950202097.db2.gz SPAAMMYQBSJJNV-JQWIXIFHSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574495449 950203294 /nfs/dbraw/zinc/20/32/94/950203294.db2.gz SPAAMMYQBSJJNV-PWSUYJOCSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574495452 950203400 /nfs/dbraw/zinc/20/34/00/950203400.db2.gz SPAAMMYQBSJJNV-ZYHUDNBSSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574497300 950226158 /nfs/dbraw/zinc/22/61/58/950226158.db2.gz ZCXFBSQAAOTOJI-CMPLNLGQSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574497301 950229277 /nfs/dbraw/zinc/22/92/77/950229277.db2.gz ZCXFBSQAAOTOJI-JQWIXIFHSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574497302 950228257 /nfs/dbraw/zinc/22/82/57/950228257.db2.gz ZCXFBSQAAOTOJI-PWSUYJOCSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)n1cc[nH+]c1 ZINC001574497303 950225396 /nfs/dbraw/zinc/22/53/96/950225396.db2.gz ZCXFBSQAAOTOJI-ZYHUDNBSSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574497385 950232509 /nfs/dbraw/zinc/23/25/09/950232509.db2.gz ZWRGXNXWBCIVCI-CMPLNLGQSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574497386 950233931 /nfs/dbraw/zinc/23/39/31/950233931.db2.gz ZWRGXNXWBCIVCI-JQWIXIFHSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574497388 950233188 /nfs/dbraw/zinc/23/31/88/950233188.db2.gz ZWRGXNXWBCIVCI-PWSUYJOCSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574497389 950231434 /nfs/dbraw/zinc/23/14/34/950231434.db2.gz ZWRGXNXWBCIVCI-ZYHUDNBSSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574500325 950315654 /nfs/dbraw/zinc/31/56/54/950315654.db2.gz ZQXKGKUUAJCJGC-GHMZBOCLSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574500326 950314031 /nfs/dbraw/zinc/31/40/31/950314031.db2.gz ZQXKGKUUAJCJGC-MNOVXSKESA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574500329 950316183 /nfs/dbraw/zinc/31/61/83/950316183.db2.gz ZQXKGKUUAJCJGC-QWRGUYRKSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)n1cc[nH+]c1 ZINC001574500331 950312386 /nfs/dbraw/zinc/31/23/86/950312386.db2.gz ZQXKGKUUAJCJGC-WDEREUQCSA-N 1 2 387.404 -0.751 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O)n1cc[nH+]c1 ZINC001574510819 950545818 /nfs/dbraw/zinc/54/58/18/950545818.db2.gz AVQUPQIKFOZDAD-CYZMBNFOSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O)n1cc[nH+]c1 ZINC001574510824 950543650 /nfs/dbraw/zinc/54/36/50/950543650.db2.gz AVQUPQIKFOZDAD-RAIGVLPGSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574510825 950544612 /nfs/dbraw/zinc/54/46/12/950544612.db2.gz AVQUPQIKFOZDAD-RTXFEEFZSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574510830 950546792 /nfs/dbraw/zinc/54/67/92/950546792.db2.gz AVQUPQIKFOZDAD-UHTWSYAYSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O)n1ccnc1 ZINC001574510886 950547743 /nfs/dbraw/zinc/54/77/43/950547743.db2.gz CPKPXVCQEUWYGN-NJZAAPMLSA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O)n1ccnc1 ZINC001574510887 950547050 /nfs/dbraw/zinc/54/70/50/950547050.db2.gz CPKPXVCQEUWYGN-UXIGCNINSA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574511071 950550763 /nfs/dbraw/zinc/55/07/63/950550763.db2.gz FRUQVOFDKHCBOV-RTXFEEFZSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574511074 950549791 /nfs/dbraw/zinc/54/97/91/950549791.db2.gz FRUQVOFDKHCBOV-UHTWSYAYSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O)n1cc[nH+]c1 ZINC001574511114 950551693 /nfs/dbraw/zinc/55/16/93/950551693.db2.gz GFTMEAIWFIRZJG-IJLUTSLNSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O)n1cc[nH+]c1 ZINC001574511117 950550618 /nfs/dbraw/zinc/55/06/18/950550618.db2.gz GFTMEAIWFIRZJG-QJPTWQEYSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574511119 950550167 /nfs/dbraw/zinc/55/01/67/950550167.db2.gz GFTMEAIWFIRZJG-TUAOUCFPSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574511121 950550330 /nfs/dbraw/zinc/55/03/30/950550330.db2.gz GFTMEAIWFIRZJG-UTUOFQBUSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1O)n1cc[nH+]c1 ZINC001574511397 950558766 /nfs/dbraw/zinc/55/87/66/950558766.db2.gz JYVSMQWEAGSGNZ-IACUBPJLSA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1O)n1cc[nH+]c1 ZINC001574511398 950561882 /nfs/dbraw/zinc/56/18/82/950561882.db2.gz JYVSMQWEAGSGNZ-MRVWCRGKSA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574511601 950565231 /nfs/dbraw/zinc/56/52/31/950565231.db2.gz NVTWBLKRSFBHSP-BNOWGMLFSA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1O)n1cc[nH+]c1 ZINC001574511602 950565343 /nfs/dbraw/zinc/56/53/43/950565343.db2.gz NVTWBLKRSFBHSP-IACUBPJLSA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1O)n1cc[nH+]c1 ZINC001574511603 950565758 /nfs/dbraw/zinc/56/57/58/950565758.db2.gz NVTWBLKRSFBHSP-MRVWCRGKSA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574511604 950567641 /nfs/dbraw/zinc/56/76/41/950567641.db2.gz NVTWBLKRSFBHSP-YUTCNCBUSA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574511980 950580940 /nfs/dbraw/zinc/58/09/40/950580940.db2.gz YUGLFBZKXWCTCI-RTXFEEFZSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574511981 950581044 /nfs/dbraw/zinc/58/10/44/950581044.db2.gz YUGLFBZKXWCTCI-UHTWSYAYSA-N 1 2 384.404 -0.830 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574511998 950579562 /nfs/dbraw/zinc/57/95/62/950579562.db2.gz ZGCZVFNDEYDZCA-DFBGVHRSSA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@@H]1O)n1cc[nH+]c1 ZINC001574511999 950582790 /nfs/dbraw/zinc/58/27/90/950582790.db2.gz ZGCZVFNDEYDZCA-GLQYFDAESA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1O)n1cc[nH+]c1 ZINC001574512000 950581612 /nfs/dbraw/zinc/58/16/12/950581612.db2.gz ZGCZVFNDEYDZCA-KCPJHIHWSA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1O)n1cc[nH+]c1 ZINC001574512001 950582178 /nfs/dbraw/zinc/58/21/78/950582178.db2.gz ZGCZVFNDEYDZCA-NILFDRSVSA-N 1 2 383.416 -0.225 20 0 GBADLO C[C@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001574679602 948788511 /nfs/dbraw/zinc/78/85/11/948788511.db2.gz YMOAPZFTCXJLTH-CHWSQXEVSA-N 1 2 389.464 -0.068 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[nH]n2)n1 ZINC001574679603 948788460 /nfs/dbraw/zinc/78/84/60/948788460.db2.gz YMOAPZFTCXJLTH-OLZOCXBDSA-N 1 2 389.464 -0.068 20 0 GBADLO C[C@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001574679604 948787425 /nfs/dbraw/zinc/78/74/25/948787425.db2.gz YMOAPZFTCXJLTH-QWHCGFSZSA-N 1 2 389.464 -0.068 20 0 GBADLO C[C@@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001574679605 948789861 /nfs/dbraw/zinc/78/98/61/948789861.db2.gz YMOAPZFTCXJLTH-STQMWFEESA-N 1 2 389.464 -0.068 20 0 GBADLO C[C@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001574681358 948818604 /nfs/dbraw/zinc/81/86/04/948818604.db2.gz LZNJXURQNFZXMJ-GFCCVEGCSA-N 1 2 375.437 -0.314 20 0 GBADLO C[C@@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001574681359 948816224 /nfs/dbraw/zinc/81/62/24/948816224.db2.gz LZNJXURQNFZXMJ-LBPRGKRZSA-N 1 2 375.437 -0.314 20 0 GBADLO C[C@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001574691283 949016850 /nfs/dbraw/zinc/01/68/50/949016850.db2.gz WCKANXQAEIWWGU-CHWSQXEVSA-N 1 2 389.464 -0.068 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[nH]n1 ZINC001574691284 949017443 /nfs/dbraw/zinc/01/74/43/949017443.db2.gz WCKANXQAEIWWGU-OLZOCXBDSA-N 1 2 389.464 -0.068 20 0 GBADLO C[C@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001574691285 949018473 /nfs/dbraw/zinc/01/84/73/949018473.db2.gz WCKANXQAEIWWGU-QWHCGFSZSA-N 1 2 389.464 -0.068 20 0 GBADLO C[C@@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001574691286 949017239 /nfs/dbraw/zinc/01/72/39/949017239.db2.gz WCKANXQAEIWWGU-STQMWFEESA-N 1 2 389.464 -0.068 20 0 GBADLO C[C@H](CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574698175 949178119 /nfs/dbraw/zinc/17/81/19/949178119.db2.gz GZQCEQJPEICTAN-CHWSQXEVSA-N 1 2 389.464 -0.116 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001574698176 949179089 /nfs/dbraw/zinc/17/90/89/949179089.db2.gz GZQCEQJPEICTAN-OLZOCXBDSA-N 1 2 389.464 -0.116 20 0 GBADLO C[C@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574698177 949179925 /nfs/dbraw/zinc/17/99/25/949179925.db2.gz GZQCEQJPEICTAN-QWHCGFSZSA-N 1 2 389.464 -0.116 20 0 GBADLO C[C@@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574698178 949178584 /nfs/dbraw/zinc/17/85/84/949178584.db2.gz GZQCEQJPEICTAN-STQMWFEESA-N 1 2 389.464 -0.116 20 0 GBADLO C[C@H](CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574699231 949233644 /nfs/dbraw/zinc/23/36/44/949233644.db2.gz ULPPCNNVJRDDBS-CHWSQXEVSA-N 1 2 389.464 -0.116 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574699232 949233484 /nfs/dbraw/zinc/23/34/84/949233484.db2.gz ULPPCNNVJRDDBS-OLZOCXBDSA-N 1 2 389.464 -0.116 20 0 GBADLO C[C@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574699233 949232752 /nfs/dbraw/zinc/23/27/52/949232752.db2.gz ULPPCNNVJRDDBS-QWHCGFSZSA-N 1 2 389.464 -0.116 20 0 GBADLO C[C@@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574699234 949235846 /nfs/dbraw/zinc/23/58/46/949235846.db2.gz ULPPCNNVJRDDBS-STQMWFEESA-N 1 2 389.464 -0.116 20 0 GBADLO C[C@H](CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574699423 949234281 /nfs/dbraw/zinc/23/42/81/949234281.db2.gz URUSEBYTIFMUHD-CHWSQXEVSA-N 1 2 389.464 -0.694 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574699424 949233028 /nfs/dbraw/zinc/23/30/28/949233028.db2.gz URUSEBYTIFMUHD-OLZOCXBDSA-N 1 2 389.464 -0.694 20 0 GBADLO C[C@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574699425 949236914 /nfs/dbraw/zinc/23/69/14/949236914.db2.gz URUSEBYTIFMUHD-QWHCGFSZSA-N 1 2 389.464 -0.694 20 0 GBADLO C[C@@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574699426 949237250 /nfs/dbraw/zinc/23/72/50/949237250.db2.gz URUSEBYTIFMUHD-STQMWFEESA-N 1 2 389.464 -0.694 20 0 GBADLO C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574720542 949794336 /nfs/dbraw/zinc/79/43/36/949794336.db2.gz CCRNUDLJRJKNBA-GFCCVEGCSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@@H](CN(C)C(=O)CC[NH+]1CCOCC1)Nc1nccnc1-c1nn[nH]n1 ZINC001574720543 949796568 /nfs/dbraw/zinc/79/65/68/949796568.db2.gz CCRNUDLJRJKNBA-LBPRGKRZSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574720598 949796725 /nfs/dbraw/zinc/79/67/25/949796725.db2.gz DLSHXOGDCPGAQQ-GFCCVEGCSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@@H](CN(C)C(=O)CC[NH+]1CCOCC1)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574720599 949794917 /nfs/dbraw/zinc/79/49/17/949794917.db2.gz DLSHXOGDCPGAQQ-LBPRGKRZSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574720656 949798895 /nfs/dbraw/zinc/79/88/95/949798895.db2.gz FPVLTSTUTKZZPE-GFCCVEGCSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@@H](CN(C)C(=O)CC[NH+]1CCOCC1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574720657 949798560 /nfs/dbraw/zinc/79/85/60/949798560.db2.gz FPVLTSTUTKZZPE-LBPRGKRZSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574741266 950241097 /nfs/dbraw/zinc/24/10/97/950241097.db2.gz IUVVGJVSQWGHBT-GWCFXTLKSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574741266 950241086 /nfs/dbraw/zinc/24/10/86/950241086.db2.gz IUVVGJVSQWGHBT-GWCFXTLKSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574741267 950238609 /nfs/dbraw/zinc/23/86/09/950238609.db2.gz IUVVGJVSQWGHBT-GXFFZTMASA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574741267 950238590 /nfs/dbraw/zinc/23/85/90/950238590.db2.gz IUVVGJVSQWGHBT-GXFFZTMASA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574741269 950239963 /nfs/dbraw/zinc/23/99/63/950239963.db2.gz IUVVGJVSQWGHBT-MFKMUULPSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574741269 950239945 /nfs/dbraw/zinc/23/99/45/950239945.db2.gz IUVVGJVSQWGHBT-MFKMUULPSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574741271 950239493 /nfs/dbraw/zinc/23/94/93/950239493.db2.gz IUVVGJVSQWGHBT-ZWNOBZJWSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574741271 950239485 /nfs/dbraw/zinc/23/94/85/950239485.db2.gz IUVVGJVSQWGHBT-ZWNOBZJWSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574742480 950289255 /nfs/dbraw/zinc/28/92/55/950289255.db2.gz LQEGGPYECOAWOY-GWCFXTLKSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574742480 950289240 /nfs/dbraw/zinc/28/92/40/950289240.db2.gz LQEGGPYECOAWOY-GWCFXTLKSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574742481 950290407 /nfs/dbraw/zinc/29/04/07/950290407.db2.gz LQEGGPYECOAWOY-GXFFZTMASA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574742481 950290391 /nfs/dbraw/zinc/29/03/91/950290391.db2.gz LQEGGPYECOAWOY-GXFFZTMASA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574742482 950289399 /nfs/dbraw/zinc/28/93/99/950289399.db2.gz LQEGGPYECOAWOY-MFKMUULPSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574742482 950289381 /nfs/dbraw/zinc/28/93/81/950289381.db2.gz LQEGGPYECOAWOY-MFKMUULPSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574742483 950287446 /nfs/dbraw/zinc/28/74/46/950287446.db2.gz LQEGGPYECOAWOY-ZWNOBZJWSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574742483 950287428 /nfs/dbraw/zinc/28/74/28/950287428.db2.gz LQEGGPYECOAWOY-ZWNOBZJWSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574750920 950448297 /nfs/dbraw/zinc/44/82/97/950448297.db2.gz JEDWKHIYGLJRDK-GWCFXTLKSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574750920 950448291 /nfs/dbraw/zinc/44/82/91/950448291.db2.gz JEDWKHIYGLJRDK-GWCFXTLKSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574750923 950448108 /nfs/dbraw/zinc/44/81/08/950448108.db2.gz JEDWKHIYGLJRDK-GXFFZTMASA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574750923 950448097 /nfs/dbraw/zinc/44/80/97/950448097.db2.gz JEDWKHIYGLJRDK-GXFFZTMASA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574750925 950448013 /nfs/dbraw/zinc/44/80/13/950448013.db2.gz JEDWKHIYGLJRDK-MFKMUULPSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574750925 950448003 /nfs/dbraw/zinc/44/80/03/950448003.db2.gz JEDWKHIYGLJRDK-MFKMUULPSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574750927 950447397 /nfs/dbraw/zinc/44/73/97/950447397.db2.gz JEDWKHIYGLJRDK-ZWNOBZJWSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574750927 950447389 /nfs/dbraw/zinc/44/73/89/950447389.db2.gz JEDWKHIYGLJRDK-ZWNOBZJWSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](C[N@@H+](C)CC(=O)Nc1cnccn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765447 950789087 /nfs/dbraw/zinc/78/90/87/950789087.db2.gz CJUKHNSGWCWIFO-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@@H](C[N@H+](C)CC(=O)Nc1cnccn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765447 950789068 /nfs/dbraw/zinc/78/90/68/950789068.db2.gz CJUKHNSGWCWIFO-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C[N@@H+](C)CC(=O)Nc1cnccn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765448 950786358 /nfs/dbraw/zinc/78/63/58/950786358.db2.gz CJUKHNSGWCWIFO-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C[N@H+](C)CC(=O)Nc1cnccn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765448 950786338 /nfs/dbraw/zinc/78/63/38/950786338.db2.gz CJUKHNSGWCWIFO-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C[N@@H+](C)CC(=O)Nc1nncs1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767402 950849916 /nfs/dbraw/zinc/84/99/16/950849916.db2.gz NSTJULWNQCVXOM-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@H](C[N@H+](C)CC(=O)Nc1nncs1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767402 950849901 /nfs/dbraw/zinc/84/99/01/950849901.db2.gz NSTJULWNQCVXOM-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](C[N@@H+](C)CC(=O)Nc1nncs1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767403 950849699 /nfs/dbraw/zinc/84/96/99/950849699.db2.gz NSTJULWNQCVXOM-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](C[N@H+](C)CC(=O)Nc1nncs1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767403 950849673 /nfs/dbraw/zinc/84/96/73/950849673.db2.gz NSTJULWNQCVXOM-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574768657 950896476 /nfs/dbraw/zinc/89/64/76/950896476.db2.gz UVSKKFFOVYGEDD-AAEUAGOBSA-N 1 2 390.448 -0.292 20 0 GBADLO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574768658 950895959 /nfs/dbraw/zinc/89/59/59/950895959.db2.gz UVSKKFFOVYGEDD-DGCLKSJQSA-N 1 2 390.448 -0.292 20 0 GBADLO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574768659 950895277 /nfs/dbraw/zinc/89/52/77/950895277.db2.gz UVSKKFFOVYGEDD-WCQYABFASA-N 1 2 390.448 -0.292 20 0 GBADLO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001574768660 950894822 /nfs/dbraw/zinc/89/48/22/950894822.db2.gz UVSKKFFOVYGEDD-YPMHNXCESA-N 1 2 390.448 -0.292 20 0 GBADLO C[C@H](C[N@@H+](C)CC(=O)Nc1nncs1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768687 950902238 /nfs/dbraw/zinc/90/22/38/950902238.db2.gz VGHXXBKFLYBPAF-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@H](C[N@H+](C)CC(=O)Nc1nncs1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768687 950902220 /nfs/dbraw/zinc/90/22/20/950902220.db2.gz VGHXXBKFLYBPAF-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](C[N@@H+](C)CC(=O)Nc1nncs1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768688 950899483 /nfs/dbraw/zinc/89/94/83/950899483.db2.gz VGHXXBKFLYBPAF-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](C[N@H+](C)CC(=O)Nc1nncs1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574768688 950899464 /nfs/dbraw/zinc/89/94/64/950899464.db2.gz VGHXXBKFLYBPAF-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@H](C[N@@H+](C)CC(=O)Nc1nncs1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574768737 950898891 /nfs/dbraw/zinc/89/88/91/950898891.db2.gz WGPKNUJOJQQXQE-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@H](C[N@H+](C)CC(=O)Nc1nncs1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574768737 950898870 /nfs/dbraw/zinc/89/88/70/950898870.db2.gz WGPKNUJOJQQXQE-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](C[N@@H+](C)CC(=O)Nc1nncs1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574768738 950899855 /nfs/dbraw/zinc/89/98/55/950899855.db2.gz WGPKNUJOJQQXQE-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](C[N@H+](C)CC(=O)Nc1nncs1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574768738 950899845 /nfs/dbraw/zinc/89/98/45/950899845.db2.gz WGPKNUJOJQQXQE-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](C[N@@H+](C)CC(=O)Nc1cnccn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768942 950906279 /nfs/dbraw/zinc/90/62/79/950906279.db2.gz XYLNDYTZQXXLOG-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@@H](C[N@H+](C)CC(=O)Nc1cnccn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768942 950906259 /nfs/dbraw/zinc/90/62/59/950906259.db2.gz XYLNDYTZQXXLOG-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C[N@@H+](C)CC(=O)Nc1cnccn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768943 950905318 /nfs/dbraw/zinc/90/53/18/950905318.db2.gz XYLNDYTZQXXLOG-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](C[N@H+](C)CC(=O)Nc1cnccn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574768943 950905303 /nfs/dbraw/zinc/90/53/03/950905303.db2.gz XYLNDYTZQXXLOG-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C[NH+]1CCCCC1 ZINC001574920038 948883162 /nfs/dbraw/zinc/88/31/62/948883162.db2.gz ATQCSDQWRQHCGZ-GFCCVEGCSA-N 1 2 390.448 -0.243 20 0 GBADLO C[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C[NH+]1CCCCC1 ZINC001574920039 948882135 /nfs/dbraw/zinc/88/21/35/948882135.db2.gz ATQCSDQWRQHCGZ-LBPRGKRZSA-N 1 2 390.448 -0.243 20 0 GBADLO C[C@@H](CNC(=O)CS(C)(=O)=O)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574934502 949163974 /nfs/dbraw/zinc/16/39/74/949163974.db2.gz JQECRIVPSQVFDU-JTQLQIEISA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@@H](CNC(=O)CS(C)(=O)=O)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574934502 949163964 /nfs/dbraw/zinc/16/39/64/949163964.db2.gz JQECRIVPSQVFDU-JTQLQIEISA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@H](CNC(=O)CS(C)(=O)=O)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574934503 949164143 /nfs/dbraw/zinc/16/41/43/949164143.db2.gz JQECRIVPSQVFDU-SNVBAGLBSA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@H](CNC(=O)CS(C)(=O)=O)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574934503 949164124 /nfs/dbraw/zinc/16/41/24/949164124.db2.gz JQECRIVPSQVFDU-SNVBAGLBSA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@@H](CNC(=O)CS(C)(=O)=O)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574934530 949162613 /nfs/dbraw/zinc/16/26/13/949162613.db2.gz KHSPEHONTGUPKC-JTQLQIEISA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@@H](CNC(=O)CS(C)(=O)=O)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574934530 949162600 /nfs/dbraw/zinc/16/26/00/949162600.db2.gz KHSPEHONTGUPKC-JTQLQIEISA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@H](CNC(=O)CS(C)(=O)=O)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574934531 949163444 /nfs/dbraw/zinc/16/34/44/949163444.db2.gz KHSPEHONTGUPKC-SNVBAGLBSA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@H](CNC(=O)CS(C)(=O)=O)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574934531 949163433 /nfs/dbraw/zinc/16/34/33/949163433.db2.gz KHSPEHONTGUPKC-SNVBAGLBSA-N 1 2 384.437 -0.013 20 0 GBADLO C[C@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C[NH+]1CCCCC1 ZINC001574944599 949398159 /nfs/dbraw/zinc/39/81/59/949398159.db2.gz GKDHAGMSYHOKTO-LLVKDONJSA-N 1 2 376.421 -0.633 20 0 GBADLO C[C@@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C[NH+]1CCCCC1 ZINC001574944601 949397204 /nfs/dbraw/zinc/39/72/04/949397204.db2.gz GKDHAGMSYHOKTO-NSHDSACASA-N 1 2 376.421 -0.633 20 0 GBADLO C[C@H](CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[NH+]1CCCCC1 ZINC001574950008 949524499 /nfs/dbraw/zinc/52/44/99/949524499.db2.gz JOQVIVOOJLOVCV-LLVKDONJSA-N 1 2 391.436 -0.697 20 0 GBADLO C[C@@H](CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[NH+]1CCCCC1 ZINC001574950009 949523915 /nfs/dbraw/zinc/52/39/15/949523915.db2.gz JOQVIVOOJLOVCV-NSHDSACASA-N 1 2 391.436 -0.697 20 0 GBADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574957835 949637150 /nfs/dbraw/zinc/63/71/50/949637150.db2.gz AMCDOTWUZKMBKT-MVWJERBFSA-N 1 2 383.416 -0.034 20 0 GBADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574957836 949636773 /nfs/dbraw/zinc/63/67/73/949636773.db2.gz AMCDOTWUZKMBKT-YUSALJHKSA-N 1 2 383.416 -0.034 20 0 GBADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574959377 949709338 /nfs/dbraw/zinc/70/93/38/949709338.db2.gz QRQMTMRGRUANQE-MVWJERBFSA-N 1 2 383.416 -0.034 20 0 GBADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574959378 949709142 /nfs/dbraw/zinc/70/91/42/949709142.db2.gz QRQMTMRGRUANQE-YUSALJHKSA-N 1 2 383.416 -0.034 20 0 GBADLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574959437 949712609 /nfs/dbraw/zinc/71/26/09/949712609.db2.gz SEFBZPAXOGWYPJ-GMTAPVOTSA-N 1 2 383.416 -0.034 20 0 GBADLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574959438 949713014 /nfs/dbraw/zinc/71/30/14/949713014.db2.gz SEFBZPAXOGWYPJ-HBNTYKKESA-N 1 2 383.416 -0.034 20 0 GBADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@@H+](C)CC(=O)Nc1nncs1 ZINC001574975264 950026414 /nfs/dbraw/zinc/02/64/14/950026414.db2.gz WAEZYZJJUHISQI-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CC(=O)Nc1nncs1 ZINC001574975264 950026392 /nfs/dbraw/zinc/02/63/92/950026392.db2.gz WAEZYZJJUHISQI-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@@H+](C)CC(=O)Nc1nncs1 ZINC001574975265 950024373 /nfs/dbraw/zinc/02/43/73/950024373.db2.gz WAEZYZJJUHISQI-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CC(=O)Nc1nncs1 ZINC001574975265 950024356 /nfs/dbraw/zinc/02/43/56/950024356.db2.gz WAEZYZJJUHISQI-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@@H+](C)CC(=O)Nc1cnccn1 ZINC001574975342 950024823 /nfs/dbraw/zinc/02/48/23/950024823.db2.gz WWLOPZHPTYITLK-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CC(=O)Nc1cnccn1 ZINC001574975342 950024803 /nfs/dbraw/zinc/02/48/03/950024803.db2.gz WWLOPZHPTYITLK-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@@H+](C)CC(=O)Nc1cnccn1 ZINC001574975344 950027299 /nfs/dbraw/zinc/02/72/99/950027299.db2.gz WWLOPZHPTYITLK-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CC(=O)Nc1cnccn1 ZINC001574975344 950027287 /nfs/dbraw/zinc/02/72/87/950027287.db2.gz WWLOPZHPTYITLK-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001574975508 950033443 /nfs/dbraw/zinc/03/34/43/950033443.db2.gz IBNXNYXPALIMEG-GHMZBOCLSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001574975511 950030868 /nfs/dbraw/zinc/03/08/68/950030868.db2.gz IBNXNYXPALIMEG-MNOVXSKESA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001574975513 950033251 /nfs/dbraw/zinc/03/32/51/950033251.db2.gz IBNXNYXPALIMEG-QWRGUYRKSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001574975514 950031424 /nfs/dbraw/zinc/03/14/24/950031424.db2.gz IBNXNYXPALIMEG-WDEREUQCSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001574976688 950089353 /nfs/dbraw/zinc/08/93/53/950089353.db2.gz YXAGXBZBYMOVFT-GHMZBOCLSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001574976689 950097698 /nfs/dbraw/zinc/09/76/98/950097698.db2.gz YXAGXBZBYMOVFT-MNOVXSKESA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001574976690 950098624 /nfs/dbraw/zinc/09/86/24/950098624.db2.gz YXAGXBZBYMOVFT-QWRGUYRKSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001574976691 950098404 /nfs/dbraw/zinc/09/84/04/950098404.db2.gz YXAGXBZBYMOVFT-WDEREUQCSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001574977262 950118590 /nfs/dbraw/zinc/11/85/90/950118590.db2.gz IMVYHCJYRFRMSI-SECBINFHSA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001574977263 950117003 /nfs/dbraw/zinc/11/70/03/950117003.db2.gz IMVYHCJYRFRMSI-VIFPVBQESA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001574978052 950129375 /nfs/dbraw/zinc/12/93/75/950129375.db2.gz PYMDXHWOTREBAL-MVWJERBFSA-N 1 2 383.416 -0.034 20 0 GBADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001574978054 950130737 /nfs/dbraw/zinc/13/07/37/950130737.db2.gz PYMDXHWOTREBAL-YUSALJHKSA-N 1 2 383.416 -0.034 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574987826 950301098 /nfs/dbraw/zinc/30/10/98/950301098.db2.gz IAWZJFDYFKLUIO-GWCFXTLKSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574987826 950301079 /nfs/dbraw/zinc/30/10/79/950301079.db2.gz IAWZJFDYFKLUIO-GWCFXTLKSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574987827 950300999 /nfs/dbraw/zinc/30/09/99/950300999.db2.gz IAWZJFDYFKLUIO-GXFFZTMASA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574987827 950300976 /nfs/dbraw/zinc/30/09/76/950300976.db2.gz IAWZJFDYFKLUIO-GXFFZTMASA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574987828 950304861 /nfs/dbraw/zinc/30/48/61/950304861.db2.gz IAWZJFDYFKLUIO-MFKMUULPSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574987828 950304838 /nfs/dbraw/zinc/30/48/38/950304838.db2.gz IAWZJFDYFKLUIO-MFKMUULPSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574987829 950304965 /nfs/dbraw/zinc/30/49/65/950304965.db2.gz IAWZJFDYFKLUIO-ZWNOBZJWSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574987829 950304944 /nfs/dbraw/zinc/30/49/44/950304944.db2.gz IAWZJFDYFKLUIO-ZWNOBZJWSA-N 1 2 376.421 -0.898 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@@H+](C)CC(=O)Nc1nncs1 ZINC001574988068 950315112 /nfs/dbraw/zinc/31/51/12/950315112.db2.gz LTBDJDHDULHLMS-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CC(=O)Nc1nncs1 ZINC001574988068 950315095 /nfs/dbraw/zinc/31/50/95/950315095.db2.gz LTBDJDHDULHLMS-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@@H+](C)CC(=O)Nc1nncs1 ZINC001574988069 950315551 /nfs/dbraw/zinc/31/55/51/950315551.db2.gz LTBDJDHDULHLMS-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CC(=O)Nc1nncs1 ZINC001574988069 950315528 /nfs/dbraw/zinc/31/55/28/950315528.db2.gz LTBDJDHDULHLMS-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@@H+](C)CC(=O)Nc1cnccn1 ZINC001574988215 950328311 /nfs/dbraw/zinc/32/83/11/950328311.db2.gz OSQCTBSBQVXWKF-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CC(=O)Nc1cnccn1 ZINC001574988215 950328288 /nfs/dbraw/zinc/32/82/88/950328288.db2.gz OSQCTBSBQVXWKF-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@@H+](C)CC(=O)Nc1cnccn1 ZINC001574988216 950324808 /nfs/dbraw/zinc/32/48/08/950324808.db2.gz OSQCTBSBQVXWKF-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CC(=O)Nc1cnccn1 ZINC001574988216 950324787 /nfs/dbraw/zinc/32/47/87/950324787.db2.gz OSQCTBSBQVXWKF-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001574990388 950373806 /nfs/dbraw/zinc/37/38/06/950373806.db2.gz BDRGWOOXKMGFGJ-GHMZBOCLSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001574990389 950369818 /nfs/dbraw/zinc/36/98/18/950369818.db2.gz BDRGWOOXKMGFGJ-MNOVXSKESA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001574990390 950372285 /nfs/dbraw/zinc/37/22/85/950372285.db2.gz BDRGWOOXKMGFGJ-QWRGUYRKSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001574990391 950370198 /nfs/dbraw/zinc/37/01/98/950370198.db2.gz BDRGWOOXKMGFGJ-WDEREUQCSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001574991213 950395235 /nfs/dbraw/zinc/39/52/35/950395235.db2.gz IWTLZCXKXQKRBS-GHMZBOCLSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001574991214 950392555 /nfs/dbraw/zinc/39/25/55/950392555.db2.gz IWTLZCXKXQKRBS-MNOVXSKESA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001574991215 950393233 /nfs/dbraw/zinc/39/32/33/950393233.db2.gz IWTLZCXKXQKRBS-QWRGUYRKSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001574991216 950392108 /nfs/dbraw/zinc/39/21/08/950392108.db2.gz IWTLZCXKXQKRBS-WDEREUQCSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001574991219 950390846 /nfs/dbraw/zinc/39/08/46/950390846.db2.gz JDNTYNVFWFHMGR-GHMZBOCLSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001574991220 950396117 /nfs/dbraw/zinc/39/61/17/950396117.db2.gz JDNTYNVFWFHMGR-MNOVXSKESA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001574991221 950391314 /nfs/dbraw/zinc/39/13/14/950391314.db2.gz JDNTYNVFWFHMGR-QWRGUYRKSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001574991222 950392280 /nfs/dbraw/zinc/39/22/80/950392280.db2.gz JDNTYNVFWFHMGR-WDEREUQCSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001574991398 950398490 /nfs/dbraw/zinc/39/84/90/950398490.db2.gz LBQYFUAUGTUZIJ-GHMZBOCLSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001574991399 950400775 /nfs/dbraw/zinc/40/07/75/950400775.db2.gz LBQYFUAUGTUZIJ-MNOVXSKESA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001574991400 950398721 /nfs/dbraw/zinc/39/87/21/950398721.db2.gz LBQYFUAUGTUZIJ-QWRGUYRKSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001574991401 950396351 /nfs/dbraw/zinc/39/63/51/950396351.db2.gz LBQYFUAUGTUZIJ-WDEREUQCSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001574992987 950457387 /nfs/dbraw/zinc/45/73/87/950457387.db2.gz HXAZBINQLBXGKF-SECBINFHSA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001574992989 950458712 /nfs/dbraw/zinc/45/87/12/950458712.db2.gz HXAZBINQLBXGKF-VIFPVBQESA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)c1nccnc1-c1nn[nH]n1 ZINC001574999265 950573457 /nfs/dbraw/zinc/57/34/57/950573457.db2.gz IAPYTUREYZHPCT-JTQLQIEISA-N 1 2 386.420 -0.039 20 0 GBADLO C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)c1nccnc1-c1nn[nH]n1 ZINC001574999266 950575050 /nfs/dbraw/zinc/57/50/50/950575050.db2.gz IAPYTUREYZHPCT-SNVBAGLBSA-N 1 2 386.420 -0.039 20 0 GBADLO C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574999439 950581586 /nfs/dbraw/zinc/58/15/86/950581586.db2.gz JXUASNLOXDYCSZ-SECBINFHSA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574999440 950577816 /nfs/dbraw/zinc/57/78/16/950577816.db2.gz JXUASNLOXDYCSZ-VIFPVBQESA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001574999478 950582850 /nfs/dbraw/zinc/58/28/50/950582850.db2.gz KNVXQVXWUIBTRR-JTQLQIEISA-N 1 2 386.420 -0.039 20 0 GBADLO C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001574999479 950584023 /nfs/dbraw/zinc/58/40/23/950584023.db2.gz KNVXQVXWUIBTRR-SNVBAGLBSA-N 1 2 386.420 -0.039 20 0 GBADLO C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574999737 950587917 /nfs/dbraw/zinc/58/79/17/950587917.db2.gz MPKSGCVAAUSUMT-SECBINFHSA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574999739 950588197 /nfs/dbraw/zinc/58/81/97/950588197.db2.gz MPKSGCVAAUSUMT-VIFPVBQESA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)c1cncc(-c2nn[nH]n2)n1 ZINC001575000498 950607658 /nfs/dbraw/zinc/60/76/58/950607658.db2.gz QBJZCEFICOOFSC-JTQLQIEISA-N 1 2 386.420 -0.039 20 0 GBADLO C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)c1cncc(-c2nn[nH]n2)n1 ZINC001575000500 950609206 /nfs/dbraw/zinc/60/92/06/950609206.db2.gz QBJZCEFICOOFSC-SNVBAGLBSA-N 1 2 386.420 -0.039 20 0 GBADLO C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575000715 950613958 /nfs/dbraw/zinc/61/39/58/950613958.db2.gz RVQHPKZKDPJKSG-SECBINFHSA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575000717 950614100 /nfs/dbraw/zinc/61/41/00/950614100.db2.gz RVQHPKZKDPJKSG-VIFPVBQESA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001575001586 950639282 /nfs/dbraw/zinc/63/92/82/950639282.db2.gz WCXDPQFFBVSMHU-JTQLQIEISA-N 1 2 386.420 -0.039 20 0 GBADLO C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)c1cnc(-c2nn[nH]n2)cn1 ZINC001575001587 950640058 /nfs/dbraw/zinc/64/00/58/950640058.db2.gz WCXDPQFFBVSMHU-SNVBAGLBSA-N 1 2 386.420 -0.039 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@@H+](C)CC(=O)Nc1nncs1 ZINC001575012079 950879456 /nfs/dbraw/zinc/87/94/56/950879456.db2.gz VYDXGFAMPUKRGG-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CC(=O)Nc1nncs1 ZINC001575012079 950879441 /nfs/dbraw/zinc/87/94/41/950879441.db2.gz VYDXGFAMPUKRGG-MRVPVSSYSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@@H+](C)CC(=O)Nc1nncs1 ZINC001575012080 950878058 /nfs/dbraw/zinc/87/80/58/950878058.db2.gz VYDXGFAMPUKRGG-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CC(=O)Nc1nncs1 ZINC001575012080 950878042 /nfs/dbraw/zinc/87/80/42/950878042.db2.gz VYDXGFAMPUKRGG-QMMMGPOBSA-N 1 2 390.433 -0.265 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@@H+](C)CC(=O)Nc1cnccn1 ZINC001575012125 950877421 /nfs/dbraw/zinc/87/74/21/950877421.db2.gz WZDUPLWXXIYUAG-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CC(=O)Nc1cnccn1 ZINC001575012125 950877407 /nfs/dbraw/zinc/87/74/07/950877407.db2.gz WZDUPLWXXIYUAG-JTQLQIEISA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@@H+](C)CC(=O)Nc1cnccn1 ZINC001575012126 950878162 /nfs/dbraw/zinc/87/81/62/950878162.db2.gz WZDUPLWXXIYUAG-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CC(=O)Nc1cnccn1 ZINC001575012126 950878141 /nfs/dbraw/zinc/87/81/41/950878141.db2.gz WZDUPLWXXIYUAG-SNVBAGLBSA-N 1 2 384.404 -0.326 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001575013601 950891202 /nfs/dbraw/zinc/89/12/02/950891202.db2.gz ARFSRMLTHPGVDP-GMTAPVOTSA-N 1 2 383.416 -0.034 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001575013603 950887452 /nfs/dbraw/zinc/88/74/52/950887452.db2.gz ARFSRMLTHPGVDP-HBNTYKKESA-N 1 2 383.416 -0.034 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001575014490 950906374 /nfs/dbraw/zinc/90/63/74/950906374.db2.gz GIFBIBTYUNNNNY-GHMZBOCLSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001575014491 950902889 /nfs/dbraw/zinc/90/28/89/950902889.db2.gz GIFBIBTYUNNNNY-MNOVXSKESA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001575014492 950904853 /nfs/dbraw/zinc/90/48/53/950904853.db2.gz GIFBIBTYUNNNNY-QWRGUYRKSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001575014494 950905358 /nfs/dbraw/zinc/90/53/58/950905358.db2.gz GIFBIBTYUNNNNY-WDEREUQCSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001575015000 950918479 /nfs/dbraw/zinc/91/84/79/950918479.db2.gz LFIPLIWHMDJNDL-GHMZBOCLSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001575015001 950919782 /nfs/dbraw/zinc/91/97/82/950919782.db2.gz LFIPLIWHMDJNDL-MNOVXSKESA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001575015002 950919041 /nfs/dbraw/zinc/91/90/41/950919041.db2.gz LFIPLIWHMDJNDL-QWRGUYRKSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001575015003 950918347 /nfs/dbraw/zinc/91/83/47/950918347.db2.gz LFIPLIWHMDJNDL-WDEREUQCSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001575015010 950918866 /nfs/dbraw/zinc/91/88/66/950918866.db2.gz LKEHCNMEOLWNHG-SECBINFHSA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001575015011 950917572 /nfs/dbraw/zinc/91/75/72/950917572.db2.gz LKEHCNMEOLWNHG-VIFPVBQESA-N 1 2 387.404 -0.207 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001575015688 950944602 /nfs/dbraw/zinc/94/46/02/950944602.db2.gz USUFBAPNZCNXIL-GHMZBOCLSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001575015690 950943173 /nfs/dbraw/zinc/94/31/73/950943173.db2.gz USUFBAPNZCNXIL-MNOVXSKESA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001575015692 950942722 /nfs/dbraw/zinc/94/27/22/950942722.db2.gz USUFBAPNZCNXIL-QWRGUYRKSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001575015693 950943599 /nfs/dbraw/zinc/94/35/99/950943599.db2.gz USUFBAPNZCNXIL-WDEREUQCSA-N 1 2 383.416 -0.112 20 0 GBADLO C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001575139695 952140786 /nfs/dbraw/zinc/14/07/86/952140786.db2.gz AQHQMRKPVAXOHV-GFCCVEGCSA-N 1 2 375.437 -0.940 20 0 GBADLO C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001575139696 952141031 /nfs/dbraw/zinc/14/10/31/952141031.db2.gz AQHQMRKPVAXOHV-LBPRGKRZSA-N 1 2 375.437 -0.940 20 0 GBADLO C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001575154014 952216799 /nfs/dbraw/zinc/21/67/99/952216799.db2.gz NRQUKJVBIAADMC-GFCCVEGCSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001575154015 952216372 /nfs/dbraw/zinc/21/63/72/952216372.db2.gz NRQUKJVBIAADMC-LBPRGKRZSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@H](CNc1cncc(-c2nn[nH]n2)n1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001575158005 952269437 /nfs/dbraw/zinc/26/94/37/952269437.db2.gz QWCIOAPBGHMNJI-GFCCVEGCSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001575158006 952269179 /nfs/dbraw/zinc/26/91/79/952269179.db2.gz QWCIOAPBGHMNJI-LBPRGKRZSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575165980 952319051 /nfs/dbraw/zinc/31/90/51/952319051.db2.gz XWONFDYVXAASRT-GWCFXTLKSA-N 1 2 378.412 -0.010 20 0 GBADLO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575165980 952319042 /nfs/dbraw/zinc/31/90/42/952319042.db2.gz XWONFDYVXAASRT-GWCFXTLKSA-N 1 2 378.412 -0.010 20 0 GBADLO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575165982 952317887 /nfs/dbraw/zinc/31/78/87/952317887.db2.gz XWONFDYVXAASRT-GXFFZTMASA-N 1 2 378.412 -0.010 20 0 GBADLO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575165982 952317881 /nfs/dbraw/zinc/31/78/81/952317881.db2.gz XWONFDYVXAASRT-GXFFZTMASA-N 1 2 378.412 -0.010 20 0 GBADLO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575165983 952319095 /nfs/dbraw/zinc/31/90/95/952319095.db2.gz XWONFDYVXAASRT-MFKMUULPSA-N 1 2 378.412 -0.010 20 0 GBADLO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575165983 952319088 /nfs/dbraw/zinc/31/90/88/952319088.db2.gz XWONFDYVXAASRT-MFKMUULPSA-N 1 2 378.412 -0.010 20 0 GBADLO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575165985 952317042 /nfs/dbraw/zinc/31/70/42/952317042.db2.gz XWONFDYVXAASRT-ZWNOBZJWSA-N 1 2 378.412 -0.010 20 0 GBADLO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575165985 952317034 /nfs/dbraw/zinc/31/70/34/952317034.db2.gz XWONFDYVXAASRT-ZWNOBZJWSA-N 1 2 378.412 -0.010 20 0 GBADLO C[C@H](CNc1nccnc1-c1nn[nH]n1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001575176250 952392919 /nfs/dbraw/zinc/39/29/19/952392919.db2.gz ZRRSDUOSVHLBIR-GFCCVEGCSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@@H](CNc1nccnc1-c1nn[nH]n1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001575176253 952393221 /nfs/dbraw/zinc/39/32/21/952393221.db2.gz ZRRSDUOSVHLBIR-LBPRGKRZSA-N 1 2 375.437 -0.362 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575199192 952487338 /nfs/dbraw/zinc/48/73/38/952487338.db2.gz ANKGRJVJBPFEQZ-BXKDBHETSA-N 1 2 389.395 -0.108 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575199195 952488246 /nfs/dbraw/zinc/48/82/46/952488246.db2.gz ANKGRJVJBPFEQZ-CABZTGNLSA-N 1 2 389.395 -0.108 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575199197 952488895 /nfs/dbraw/zinc/48/88/95/952488895.db2.gz ANKGRJVJBPFEQZ-JOYOIKCWSA-N 1 2 389.395 -0.108 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575199199 952488828 /nfs/dbraw/zinc/48/88/28/952488828.db2.gz ANKGRJVJBPFEQZ-SKDRFNHKSA-N 1 2 389.395 -0.108 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001575199301 952488748 /nfs/dbraw/zinc/48/87/48/952488748.db2.gz BZJWGUPLVAHRHI-GDLCADMTSA-N 1 2 383.416 -0.471 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001575199302 952488804 /nfs/dbraw/zinc/48/88/04/952488804.db2.gz BZJWGUPLVAHRHI-HONMWMINSA-N 1 2 383.416 -0.471 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001575199766 952491127 /nfs/dbraw/zinc/49/11/27/952491127.db2.gz FHBNECUGQQQTLM-BXKDBHETSA-N 1 2 389.395 -0.108 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001575199768 952490843 /nfs/dbraw/zinc/49/08/43/952490843.db2.gz FHBNECUGQQQTLM-CABZTGNLSA-N 1 2 389.395 -0.108 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001575199770 952491783 /nfs/dbraw/zinc/49/17/83/952491783.db2.gz FHBNECUGQQQTLM-JOYOIKCWSA-N 1 2 389.395 -0.108 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001575199772 952491713 /nfs/dbraw/zinc/49/17/13/952491713.db2.gz FHBNECUGQQQTLM-SKDRFNHKSA-N 1 2 389.395 -0.108 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575200596 952496789 /nfs/dbraw/zinc/49/67/89/952496789.db2.gz CZCWZKALFDLJIY-JTQLQIEISA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575200597 952496958 /nfs/dbraw/zinc/49/69/58/952496958.db2.gz CZCWZKALFDLJIY-SNVBAGLBSA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575200683 952497662 /nfs/dbraw/zinc/49/76/62/952497662.db2.gz KNSCNDSEFSGYLH-JTQLQIEISA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575200684 952497766 /nfs/dbraw/zinc/49/77/66/952497766.db2.gz KNSCNDSEFSGYLH-SNVBAGLBSA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575201147 952501070 /nfs/dbraw/zinc/50/10/70/952501070.db2.gz HIHVYXOJFKFMIX-JTQLQIEISA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575201151 952501759 /nfs/dbraw/zinc/50/17/59/952501759.db2.gz HIHVYXOJFKFMIX-SNVBAGLBSA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001575201778 952507663 /nfs/dbraw/zinc/50/76/63/952507663.db2.gz QIIUPLPTFYYAOX-PSOPSSQASA-N 1 2 383.416 -0.471 20 0 GBADLO C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001575201779 952506375 /nfs/dbraw/zinc/50/63/75/952506375.db2.gz QIIUPLPTFYYAOX-WDBKCZKBSA-N 1 2 383.416 -0.471 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575202884 952515692 /nfs/dbraw/zinc/51/56/92/952515692.db2.gz QBYIZMULDWGMIO-CUOATXAZSA-N 1 2 399.415 -0.902 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575202885 952516151 /nfs/dbraw/zinc/51/61/51/952516151.db2.gz QBYIZMULDWGMIO-OWYVNGRQSA-N 1 2 399.415 -0.902 20 0 GBADLO C[C@@H](Cc1c[nH]cn1)C(=O)N(C)C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575202892 952515619 /nfs/dbraw/zinc/51/56/19/952515619.db2.gz QFWHZXAUEKHCAZ-AAEUAGOBSA-N 1 2 385.432 -0.483 20 0 GBADLO C[C@H](Cc1c[nH]cn1)C(=O)N(C)C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575202893 952516515 /nfs/dbraw/zinc/51/65/15/952516515.db2.gz QFWHZXAUEKHCAZ-DGCLKSJQSA-N 1 2 385.432 -0.483 20 0 GBADLO C[C@@H](Cc1c[nH]cn1)C(=O)N(C)C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575202894 952515661 /nfs/dbraw/zinc/51/56/61/952515661.db2.gz QFWHZXAUEKHCAZ-WCQYABFASA-N 1 2 385.432 -0.483 20 0 GBADLO C[C@H](Cc1c[nH]cn1)C(=O)N(C)C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575202895 952517107 /nfs/dbraw/zinc/51/71/07/952517107.db2.gz QFWHZXAUEKHCAZ-YPMHNXCESA-N 1 2 385.432 -0.483 20 0 GBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575202950 952517088 /nfs/dbraw/zinc/51/70/88/952517088.db2.gz RKAPBJQQBJAHRS-JTQLQIEISA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575202950 952517084 /nfs/dbraw/zinc/51/70/84/952517084.db2.gz RKAPBJQQBJAHRS-JTQLQIEISA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575202951 952517404 /nfs/dbraw/zinc/51/74/04/952517404.db2.gz RKAPBJQQBJAHRS-SNVBAGLBSA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575202951 952517399 /nfs/dbraw/zinc/51/73/99/952517399.db2.gz RKAPBJQQBJAHRS-SNVBAGLBSA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575203032 952518203 /nfs/dbraw/zinc/51/82/03/952518203.db2.gz YVWJFIRGUOCVRV-JTQLQIEISA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575203033 952518217 /nfs/dbraw/zinc/51/82/17/952518217.db2.gz YVWJFIRGUOCVRV-SNVBAGLBSA-N 1 2 383.416 -0.015 20 0 GBADLO C[C@H](Cc1c[nH]cn1)C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575203456 952521946 /nfs/dbraw/zinc/52/19/46/952521946.db2.gz XOSOZGCDRBSURW-GFCCVEGCSA-N 1 2 385.432 -0.482 20 0 GBADLO C[C@@H](Cc1c[nH]cn1)C(=O)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575203457 952523236 /nfs/dbraw/zinc/52/32/36/952523236.db2.gz XOSOZGCDRBSURW-LBPRGKRZSA-N 1 2 385.432 -0.482 20 0 GBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001575203512 952523948 /nfs/dbraw/zinc/52/39/48/952523948.db2.gz YXWVTCBYOZRUMK-FZQKWOKYSA-N 1 2 399.415 -0.902 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001575203512 952523944 /nfs/dbraw/zinc/52/39/44/952523944.db2.gz YXWVTCBYOZRUMK-FZQKWOKYSA-N 1 2 399.415 -0.902 20 0 GBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001575203513 952524177 /nfs/dbraw/zinc/52/41/77/952524177.db2.gz YXWVTCBYOZRUMK-FZZIBODNSA-N 1 2 399.415 -0.902 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001575203513 952524175 /nfs/dbraw/zinc/52/41/75/952524175.db2.gz YXWVTCBYOZRUMK-FZZIBODNSA-N 1 2 399.415 -0.902 20 0 GBADLO C[C@@](Cn1cccn1)([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)C(N)=O ZINC001575207898 952535924 /nfs/dbraw/zinc/53/59/24/952535924.db2.gz VITITEPLUDVOMR-AWEZNQCLSA-N 1 2 375.418 -0.403 20 0 GBADLO C[C@](Cn1cccn1)([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)C(N)=O ZINC001575207899 952535758 /nfs/dbraw/zinc/53/57/58/952535758.db2.gz VITITEPLUDVOMR-CQSZACIVSA-N 1 2 375.418 -0.403 20 0 GBADLO CC(F)(F)CC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001575229483 948844995 /nfs/dbraw/zinc/84/49/95/948844995.db2.gz JPVUSPBPDWMSDC-UHFFFAOYSA-N 1 2 381.391 -0.060 20 0 GBADLO CC(F)(F)CC(=O)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001575229607 948851446 /nfs/dbraw/zinc/85/14/46/948851446.db2.gz NYTAFWZWSZLOAH-UHFFFAOYSA-N 1 2 381.391 -0.060 20 0 GBADLO CC(F)(F)CC(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001575229762 948861452 /nfs/dbraw/zinc/86/14/52/948861452.db2.gz SHRAUWFRNKANON-UHFFFAOYSA-N 1 2 381.391 -0.060 20 0 GBADLO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575262543 949378944 /nfs/dbraw/zinc/37/89/44/949378944.db2.gz BKTGZRBRAXBFPS-HZMBPMFUSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575262543 949378920 /nfs/dbraw/zinc/37/89/20/949378920.db2.gz BKTGZRBRAXBFPS-HZMBPMFUSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575262544 949378493 /nfs/dbraw/zinc/37/84/93/949378493.db2.gz BKTGZRBRAXBFPS-IINYFYTJSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575262544 949378472 /nfs/dbraw/zinc/37/84/72/949378472.db2.gz BKTGZRBRAXBFPS-IINYFYTJSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575262547 949377525 /nfs/dbraw/zinc/37/75/25/949377525.db2.gz BKTGZRBRAXBFPS-QMTHXVAHSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575262547 949377503 /nfs/dbraw/zinc/37/75/03/949377503.db2.gz BKTGZRBRAXBFPS-QMTHXVAHSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575262549 949380874 /nfs/dbraw/zinc/38/08/74/949380874.db2.gz BKTGZRBRAXBFPS-YGRLFVJLSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575262549 949380850 /nfs/dbraw/zinc/38/08/50/949380850.db2.gz BKTGZRBRAXBFPS-YGRLFVJLSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@@H](NC(=O)C1CS(=O)(=O)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575264147 949415849 /nfs/dbraw/zinc/41/58/49/949415849.db2.gz LYXNWVRUKUSJIW-LLVKDONJSA-N 1 2 390.469 -0.152 20 0 GBADLO C[C@H](NC(=O)C1CS(=O)(=O)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575264149 949416010 /nfs/dbraw/zinc/41/60/10/949416010.db2.gz LYXNWVRUKUSJIW-NSHDSACASA-N 1 2 390.469 -0.152 20 0 GBADLO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575265971 949461824 /nfs/dbraw/zinc/46/18/24/949461824.db2.gz WHZSPROXUJLXBW-HZMBPMFUSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575265971 949461810 /nfs/dbraw/zinc/46/18/10/949461810.db2.gz WHZSPROXUJLXBW-HZMBPMFUSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575265973 949462513 /nfs/dbraw/zinc/46/25/13/949462513.db2.gz WHZSPROXUJLXBW-IINYFYTJSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575265973 949462496 /nfs/dbraw/zinc/46/24/96/949462496.db2.gz WHZSPROXUJLXBW-IINYFYTJSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575265975 949462913 /nfs/dbraw/zinc/46/29/13/949462913.db2.gz WHZSPROXUJLXBW-QMTHXVAHSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575265975 949462890 /nfs/dbraw/zinc/46/28/90/949462890.db2.gz WHZSPROXUJLXBW-QMTHXVAHSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575265977 949461676 /nfs/dbraw/zinc/46/16/76/949461676.db2.gz WHZSPROXUJLXBW-YGRLFVJLSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575265977 949461654 /nfs/dbraw/zinc/46/16/54/949461654.db2.gz WHZSPROXUJLXBW-YGRLFVJLSA-N 1 2 388.432 -0.898 20 0 GBADLO C[C@@H](NC(=O)C1CS(=O)(=O)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575266057 949466092 /nfs/dbraw/zinc/46/60/92/949466092.db2.gz XAELAVBRMNAERV-LLVKDONJSA-N 1 2 390.469 -0.152 20 0 GBADLO C[C@H](NC(=O)C1CS(=O)(=O)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575266059 949469456 /nfs/dbraw/zinc/46/94/56/949469456.db2.gz XAELAVBRMNAERV-NSHDSACASA-N 1 2 390.469 -0.152 20 0 GBADLO C[C@@H](Nc1cnc(-c2nn[nH]n2)cn1)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001575270890 949607375 /nfs/dbraw/zinc/60/73/75/949607375.db2.gz GTABQPCOZMAPOK-NEPJUHHUSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575270891 949604248 /nfs/dbraw/zinc/60/42/48/949604248.db2.gz GTABQPCOZMAPOK-NWDGAFQWSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575270892 949604350 /nfs/dbraw/zinc/60/43/50/949604350.db2.gz GTABQPCOZMAPOK-RYUDHWBXSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575270893 949605814 /nfs/dbraw/zinc/60/58/14/949605814.db2.gz GTABQPCOZMAPOK-VXGBXAGGSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001575271861 949633309 /nfs/dbraw/zinc/63/33/09/949633309.db2.gz MYTYOEVKCBIZPY-NEPJUHHUSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](Nc1nccnc1-c1nn[nH]n1)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001575271863 949632531 /nfs/dbraw/zinc/63/25/31/949632531.db2.gz MYTYOEVKCBIZPY-NWDGAFQWSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001575271865 949632454 /nfs/dbraw/zinc/63/24/54/949632454.db2.gz MYTYOEVKCBIZPY-RYUDHWBXSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001575271867 949631425 /nfs/dbraw/zinc/63/14/25/949631425.db2.gz MYTYOEVKCBIZPY-VXGBXAGGSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](Nc1ccc(-c2nn[nH]n2)nn1)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001575272738 949649998 /nfs/dbraw/zinc/64/99/98/949649998.db2.gz SIUPVPPXGLOKTK-NEPJUHHUSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575272739 949650348 /nfs/dbraw/zinc/65/03/48/949650348.db2.gz SIUPVPPXGLOKTK-NWDGAFQWSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575272740 949649485 /nfs/dbraw/zinc/64/94/85/949649485.db2.gz SIUPVPPXGLOKTK-RYUDHWBXSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575272741 949651734 /nfs/dbraw/zinc/65/17/34/949651734.db2.gz SIUPVPPXGLOKTK-VXGBXAGGSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](Nc1cncc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001575273012 949654659 /nfs/dbraw/zinc/65/46/59/949654659.db2.gz UOGLAIIDHMRZDL-NEPJUHHUSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001575273013 949654153 /nfs/dbraw/zinc/65/41/53/949654153.db2.gz UOGLAIIDHMRZDL-NWDGAFQWSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001575273014 949654468 /nfs/dbraw/zinc/65/44/68/949654468.db2.gz UOGLAIIDHMRZDL-RYUDHWBXSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H](C)Nc1cncc(-c2nn[nH]n2)n1 ZINC001575273015 949656715 /nfs/dbraw/zinc/65/67/15/949656715.db2.gz UOGLAIIDHMRZDL-VXGBXAGGSA-N 1 2 375.437 -0.316 20 0 GBADLO C[C@@H](NC(=O)CS(C)(=O)=O)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575282361 949834853 /nfs/dbraw/zinc/83/48/53/949834853.db2.gz KPLGDHVLWAILKG-LLVKDONJSA-N 1 2 378.458 -0.152 20 0 GBADLO C[C@H](NC(=O)CS(C)(=O)=O)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575282362 949833191 /nfs/dbraw/zinc/83/31/91/949833191.db2.gz KPLGDHVLWAILKG-NSHDSACASA-N 1 2 378.458 -0.152 20 0 GBADLO C[C@@H](NC(=O)CS(C)(=O)=O)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575285068 949933060 /nfs/dbraw/zinc/93/30/60/949933060.db2.gz YBMBOTFJLDLVHT-LLVKDONJSA-N 1 2 378.458 -0.152 20 0 GBADLO C[C@H](NC(=O)CS(C)(=O)=O)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575285069 949930290 /nfs/dbraw/zinc/93/02/90/949930290.db2.gz YBMBOTFJLDLVHT-NSHDSACASA-N 1 2 378.458 -0.152 20 0 GBADLO C[C@H](c1nncn1C)[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575520924 949245797 /nfs/dbraw/zinc/24/57/97/949245797.db2.gz AHYPTEQXXXWVEH-HWPZZCPQSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575520924 949245784 /nfs/dbraw/zinc/24/57/84/949245784.db2.gz AHYPTEQXXXWVEH-HWPZZCPQSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575520925 949247175 /nfs/dbraw/zinc/24/71/75/949247175.db2.gz AHYPTEQXXXWVEH-MGPLVRAMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575520925 949247152 /nfs/dbraw/zinc/24/71/52/949247152.db2.gz AHYPTEQXXXWVEH-MGPLVRAMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575520926 949247382 /nfs/dbraw/zinc/24/73/82/949247382.db2.gz AHYPTEQXXXWVEH-QFYYESIMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575520926 949247360 /nfs/dbraw/zinc/24/73/60/949247360.db2.gz AHYPTEQXXXWVEH-QFYYESIMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@H](c1nncn1C)[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575520927 949243159 /nfs/dbraw/zinc/24/31/59/949243159.db2.gz AHYPTEQXXXWVEH-QLJPJBMISA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575520927 949243138 /nfs/dbraw/zinc/24/31/38/949243138.db2.gz AHYPTEQXXXWVEH-QLJPJBMISA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@H](c1nncn1C)[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575520928 949248073 /nfs/dbraw/zinc/24/80/73/949248073.db2.gz AIJVSUDLEMJVTM-HWPZZCPQSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575520928 949248054 /nfs/dbraw/zinc/24/80/54/949248054.db2.gz AIJVSUDLEMJVTM-HWPZZCPQSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575520929 949245432 /nfs/dbraw/zinc/24/54/32/949245432.db2.gz AIJVSUDLEMJVTM-MGPLVRAMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575520929 949245414 /nfs/dbraw/zinc/24/54/14/949245414.db2.gz AIJVSUDLEMJVTM-MGPLVRAMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575520930 949247052 /nfs/dbraw/zinc/24/70/52/949247052.db2.gz AIJVSUDLEMJVTM-QFYYESIMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575520930 949247027 /nfs/dbraw/zinc/24/70/27/949247027.db2.gz AIJVSUDLEMJVTM-QFYYESIMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@H](c1nncn1C)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575520931 949246866 /nfs/dbraw/zinc/24/68/66/949246866.db2.gz AIJVSUDLEMJVTM-QLJPJBMISA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575520931 949246842 /nfs/dbraw/zinc/24/68/42/949246842.db2.gz AIJVSUDLEMJVTM-QLJPJBMISA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@H](c1nncn1C)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575521150 949250409 /nfs/dbraw/zinc/25/04/09/949250409.db2.gz CZDDUPQFFRZZCF-HWPZZCPQSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575521150 949250388 /nfs/dbraw/zinc/25/03/88/949250388.db2.gz CZDDUPQFFRZZCF-HWPZZCPQSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575521151 949252586 /nfs/dbraw/zinc/25/25/86/949252586.db2.gz CZDDUPQFFRZZCF-MGPLVRAMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575521151 949252565 /nfs/dbraw/zinc/25/25/65/949252565.db2.gz CZDDUPQFFRZZCF-MGPLVRAMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575521152 949253749 /nfs/dbraw/zinc/25/37/49/949253749.db2.gz CZDDUPQFFRZZCF-QFYYESIMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575521152 949253730 /nfs/dbraw/zinc/25/37/30/949253730.db2.gz CZDDUPQFFRZZCF-QFYYESIMSA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@H](c1nncn1C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575521154 949254641 /nfs/dbraw/zinc/25/46/41/949254641.db2.gz CZDDUPQFFRZZCF-QLJPJBMISA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@H](c1nncn1C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575521154 949254626 /nfs/dbraw/zinc/25/46/26/949254626.db2.gz CZDDUPQFFRZZCF-QLJPJBMISA-N 1 2 386.420 -0.749 20 0 GBADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522392 949274116 /nfs/dbraw/zinc/27/41/16/949274116.db2.gz LAVWPROUEZPGJS-APPDUMDISA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522392 949274093 /nfs/dbraw/zinc/27/40/93/949274093.db2.gz LAVWPROUEZPGJS-APPDUMDISA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@H](c1ncccn1)[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522395 949275223 /nfs/dbraw/zinc/27/52/23/949275223.db2.gz LAVWPROUEZPGJS-DIFFPNOSSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522395 949275206 /nfs/dbraw/zinc/27/52/06/949275206.db2.gz LAVWPROUEZPGJS-DIFFPNOSSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522398 949274842 /nfs/dbraw/zinc/27/48/42/949274842.db2.gz LAVWPROUEZPGJS-GTNSWQLSSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522398 949274820 /nfs/dbraw/zinc/27/48/20/949274820.db2.gz LAVWPROUEZPGJS-GTNSWQLSSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@H](c1ncccn1)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522401 949272856 /nfs/dbraw/zinc/27/28/56/949272856.db2.gz LAVWPROUEZPGJS-PIGZYNQJSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522401 949272842 /nfs/dbraw/zinc/27/28/42/949272842.db2.gz LAVWPROUEZPGJS-PIGZYNQJSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001575524422 949318735 /nfs/dbraw/zinc/31/87/35/949318735.db2.gz IMPNGFMVXGWQMV-HKWIRBFKSA-N 1 2 383.420 -0.613 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001575524422 949318714 /nfs/dbraw/zinc/31/87/14/949318714.db2.gz IMPNGFMVXGWQMV-HKWIRBFKSA-N 1 2 383.420 -0.613 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001575524423 949317007 /nfs/dbraw/zinc/31/70/07/949317007.db2.gz IMPNGFMVXGWQMV-PDEGPIFNSA-N 1 2 383.420 -0.613 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001575524423 949316981 /nfs/dbraw/zinc/31/69/81/949316981.db2.gz IMPNGFMVXGWQMV-PDEGPIFNSA-N 1 2 383.420 -0.613 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001575524446 949318493 /nfs/dbraw/zinc/31/84/93/949318493.db2.gz JHGYHTAAVHGYQE-DBIOUOCHSA-N 1 2 383.420 -0.613 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001575524446 949318473 /nfs/dbraw/zinc/31/84/73/949318473.db2.gz JHGYHTAAVHGYQE-DBIOUOCHSA-N 1 2 383.420 -0.613 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001575524449 949318393 /nfs/dbraw/zinc/31/83/93/949318393.db2.gz JHGYHTAAVHGYQE-XWLWVQCSSA-N 1 2 383.420 -0.613 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001575524449 949318374 /nfs/dbraw/zinc/31/83/74/949318374.db2.gz JHGYHTAAVHGYQE-XWLWVQCSSA-N 1 2 383.420 -0.613 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@]2(C)C1 ZINC001575524944 949335570 /nfs/dbraw/zinc/33/55/70/949335570.db2.gz LSLXIBSQFCQXCF-BFCNOCSMSA-N 1 2 397.447 -0.127 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@]2(C)C1 ZINC001575524944 949335552 /nfs/dbraw/zinc/33/55/52/949335552.db2.gz LSLXIBSQFCQXCF-BFCNOCSMSA-N 1 2 397.447 -0.127 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@]2(C)C1 ZINC001575524945 949332191 /nfs/dbraw/zinc/33/21/91/949332191.db2.gz LSLXIBSQFCQXCF-HSOHIQCKSA-N 1 2 397.447 -0.127 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@]2(C)C1 ZINC001575524945 949332170 /nfs/dbraw/zinc/33/21/70/949332170.db2.gz LSLXIBSQFCQXCF-HSOHIQCKSA-N 1 2 397.447 -0.127 20 0 GBADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575525014 949333658 /nfs/dbraw/zinc/33/36/58/949333658.db2.gz VMOWDMMMJWRZAQ-APPDUMDISA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575525014 949333637 /nfs/dbraw/zinc/33/36/37/949333637.db2.gz VMOWDMMMJWRZAQ-APPDUMDISA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@H](c1ncccn1)[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575525016 949334495 /nfs/dbraw/zinc/33/44/95/949334495.db2.gz VMOWDMMMJWRZAQ-DIFFPNOSSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575525016 949334470 /nfs/dbraw/zinc/33/44/70/949334470.db2.gz VMOWDMMMJWRZAQ-DIFFPNOSSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575525018 949333474 /nfs/dbraw/zinc/33/34/74/949333474.db2.gz VMOWDMMMJWRZAQ-GTNSWQLSSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575525018 949333453 /nfs/dbraw/zinc/33/34/53/949333453.db2.gz VMOWDMMMJWRZAQ-GTNSWQLSSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@H](c1ncccn1)[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575525020 949333232 /nfs/dbraw/zinc/33/32/32/949333232.db2.gz VMOWDMMMJWRZAQ-PIGZYNQJSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575525020 949333213 /nfs/dbraw/zinc/33/32/13/949333213.db2.gz VMOWDMMMJWRZAQ-PIGZYNQJSA-N 1 2 383.416 -0.087 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575525231 949336807 /nfs/dbraw/zinc/33/68/07/949336807.db2.gz WUILFKSRLXGLSH-GHMZBOCLSA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575525231 949336782 /nfs/dbraw/zinc/33/67/82/949336782.db2.gz WUILFKSRLXGLSH-GHMZBOCLSA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575525233 949339723 /nfs/dbraw/zinc/33/97/23/949339723.db2.gz WUILFKSRLXGLSH-MNOVXSKESA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575525233 949339704 /nfs/dbraw/zinc/33/97/04/949339704.db2.gz WUILFKSRLXGLSH-MNOVXSKESA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575525236 949336567 /nfs/dbraw/zinc/33/65/67/949336567.db2.gz WUILFKSRLXGLSH-QWRGUYRKSA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575525236 949336547 /nfs/dbraw/zinc/33/65/47/949336547.db2.gz WUILFKSRLXGLSH-QWRGUYRKSA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575525240 949336342 /nfs/dbraw/zinc/33/63/42/949336342.db2.gz WUILFKSRLXGLSH-WDEREUQCSA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575525240 949336318 /nfs/dbraw/zinc/33/63/18/949336318.db2.gz WUILFKSRLXGLSH-WDEREUQCSA-N 1 2 385.436 -0.127 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575525462 949341944 /nfs/dbraw/zinc/34/19/44/949341944.db2.gz OAPGGFQRMWLTEE-GHMZBOCLSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575525462 949341911 /nfs/dbraw/zinc/34/19/11/949341911.db2.gz OAPGGFQRMWLTEE-GHMZBOCLSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575525466 949342757 /nfs/dbraw/zinc/34/27/57/949342757.db2.gz OAPGGFQRMWLTEE-MNOVXSKESA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575525466 949342734 /nfs/dbraw/zinc/34/27/34/949342734.db2.gz OAPGGFQRMWLTEE-MNOVXSKESA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575525468 949343678 /nfs/dbraw/zinc/34/36/78/949343678.db2.gz OAPGGFQRMWLTEE-QWRGUYRKSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575525468 949343656 /nfs/dbraw/zinc/34/36/56/949343656.db2.gz OAPGGFQRMWLTEE-QWRGUYRKSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575525471 949345203 /nfs/dbraw/zinc/34/52/03/949345203.db2.gz OAPGGFQRMWLTEE-WDEREUQCSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575525471 949345185 /nfs/dbraw/zinc/34/51/85/949345185.db2.gz OAPGGFQRMWLTEE-WDEREUQCSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C1 ZINC001575525709 949355795 /nfs/dbraw/zinc/35/57/95/949355795.db2.gz PUZIULCKCWWKGC-JLLWLGSASA-N 1 2 383.420 -0.517 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C1 ZINC001575525712 949352947 /nfs/dbraw/zinc/35/29/47/949352947.db2.gz PUZIULCKCWWKGC-ZMLRMANQSA-N 1 2 383.420 -0.517 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575526279 949363284 /nfs/dbraw/zinc/36/32/84/949363284.db2.gz WZKCSFXAXFOXEZ-JTQLQIEISA-N 1 2 383.420 -0.373 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575526279 949363263 /nfs/dbraw/zinc/36/32/63/949363263.db2.gz WZKCSFXAXFOXEZ-JTQLQIEISA-N 1 2 383.420 -0.373 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+]1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575526281 949364410 /nfs/dbraw/zinc/36/44/10/949364410.db2.gz WZKCSFXAXFOXEZ-SNVBAGLBSA-N 1 2 383.420 -0.373 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575526281 949364388 /nfs/dbraw/zinc/36/43/88/949364388.db2.gz WZKCSFXAXFOXEZ-SNVBAGLBSA-N 1 2 383.420 -0.373 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575526322 949365360 /nfs/dbraw/zinc/36/53/60/949365360.db2.gz XICGTRGZUSJFKV-GHMZBOCLSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575526322 949365338 /nfs/dbraw/zinc/36/53/38/949365338.db2.gz XICGTRGZUSJFKV-GHMZBOCLSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575526323 949368071 /nfs/dbraw/zinc/36/80/71/949368071.db2.gz XICGTRGZUSJFKV-MNOVXSKESA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575526323 949368049 /nfs/dbraw/zinc/36/80/49/949368049.db2.gz XICGTRGZUSJFKV-MNOVXSKESA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575526324 949365835 /nfs/dbraw/zinc/36/58/35/949365835.db2.gz XICGTRGZUSJFKV-QWRGUYRKSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575526324 949365814 /nfs/dbraw/zinc/36/58/14/949365814.db2.gz XICGTRGZUSJFKV-QWRGUYRKSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575526325 949368253 /nfs/dbraw/zinc/36/82/53/949368253.db2.gz XICGTRGZUSJFKV-WDEREUQCSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575526325 949368229 /nfs/dbraw/zinc/36/82/29/949368229.db2.gz XICGTRGZUSJFKV-WDEREUQCSA-N 1 2 385.436 -0.079 20 0 GBADLO C[C@@]1(C(=O)NCCN2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575592114 950280827 /nfs/dbraw/zinc/28/08/27/950280827.db2.gz DEHBCQMVVQOHRG-GOSISDBHSA-N 1 2 386.460 -0.074 20 0 GBADLO C[C@]1(C(=O)NCCN2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575592115 950282034 /nfs/dbraw/zinc/28/20/34/950282034.db2.gz DEHBCQMVVQOHRG-SFHVURJKSA-N 1 2 386.460 -0.074 20 0 GBADLO C[C@@]1(C(=O)NCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575592650 950290557 /nfs/dbraw/zinc/29/05/57/950290557.db2.gz IUVDAZPYXYFTDT-GOSISDBHSA-N 1 2 386.460 -0.074 20 0 GBADLO C[C@]1(C(=O)NCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575592651 950296802 /nfs/dbraw/zinc/29/68/02/950296802.db2.gz IUVDAZPYXYFTDT-SFHVURJKSA-N 1 2 386.460 -0.074 20 0 GBADLO C[C@]1(C(=O)NCC[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575593244 950305228 /nfs/dbraw/zinc/30/52/28/950305228.db2.gz NATNYMXUBWQOJI-KRWDZBQOSA-N 1 2 387.448 -0.679 20 0 GBADLO C[C@@]1(C(=O)NCC[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575593248 950307552 /nfs/dbraw/zinc/30/75/52/950307552.db2.gz NATNYMXUBWQOJI-QGZVFWFLSA-N 1 2 387.448 -0.679 20 0 GBADLO C[C@]1(C(=O)NCC[NH+]2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)CCOC1 ZINC001575594415 950333399 /nfs/dbraw/zinc/33/33/99/950333399.db2.gz SQVGEDSRFSYVBW-KRWDZBQOSA-N 1 2 387.448 -0.679 20 0 GBADLO C[C@@]1(C(=O)NCC[NH+]2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)CCOC1 ZINC001575594416 950334941 /nfs/dbraw/zinc/33/49/41/950334941.db2.gz SQVGEDSRFSYVBW-QGZVFWFLSA-N 1 2 387.448 -0.679 20 0 GBADLO C[C@@]1(C(=O)NCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CCOC1 ZINC001575595163 950353188 /nfs/dbraw/zinc/35/31/88/950353188.db2.gz YEGUOMDCBQPTKK-GOSISDBHSA-N 1 2 386.460 -0.074 20 0 GBADLO C[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CCOC1 ZINC001575595168 950353935 /nfs/dbraw/zinc/35/39/35/950353935.db2.gz YEGUOMDCBQPTKK-SFHVURJKSA-N 1 2 386.460 -0.074 20 0 GBADLO CC1(C)CC(NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC(C)(C)[NH2+]1 ZINC001575640538 950893883 /nfs/dbraw/zinc/89/38/83/950893883.db2.gz IDVXSJALCQKWMK-UHFFFAOYSA-N 1 2 390.448 -0.056 20 0 GBADLO CC1(C)CC(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC(C)(C)[NH2+]1 ZINC001575641781 950928807 /nfs/dbraw/zinc/92/88/07/950928807.db2.gz QWRQIVIFIKLUBT-UHFFFAOYSA-N 1 2 376.421 -0.446 20 0 GBADLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575887639 949904337 /nfs/dbraw/zinc/90/43/37/949904337.db2.gz ZFKPIIQAVYMCMU-GWCFXTLKSA-N 1 2 383.416 -0.110 20 0 GBADLO C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575887640 949902552 /nfs/dbraw/zinc/90/25/52/949902552.db2.gz ZFKPIIQAVYMCMU-GXFFZTMASA-N 1 2 383.416 -0.110 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575887641 949905203 /nfs/dbraw/zinc/90/52/03/949905203.db2.gz ZFKPIIQAVYMCMU-MFKMUULPSA-N 1 2 383.416 -0.110 20 0 GBADLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575887643 949904643 /nfs/dbraw/zinc/90/46/43/949904643.db2.gz ZFKPIIQAVYMCMU-ZWNOBZJWSA-N 1 2 383.416 -0.110 20 0 GBADLO C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575891893 950036202 /nfs/dbraw/zinc/03/62/02/950036202.db2.gz PAFLSEPQUDROHW-CMPLNLGQSA-N 1 2 383.416 -0.110 20 0 GBADLO C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575891894 950039149 /nfs/dbraw/zinc/03/91/49/950039149.db2.gz PAFLSEPQUDROHW-JQWIXIFHSA-N 1 2 383.416 -0.110 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575891895 950039943 /nfs/dbraw/zinc/03/99/43/950039943.db2.gz PAFLSEPQUDROHW-PWSUYJOCSA-N 1 2 383.416 -0.110 20 0 GBADLO C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001575891896 950040616 /nfs/dbraw/zinc/04/06/16/950040616.db2.gz PAFLSEPQUDROHW-ZYHUDNBSSA-N 1 2 383.416 -0.110 20 0 GBADLO C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575922172 950645462 /nfs/dbraw/zinc/64/54/62/950645462.db2.gz OWTJWWAHFULHPM-DZGCQCFKSA-N 1 2 386.460 -0.193 20 0 GBADLO C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575922178 950644822 /nfs/dbraw/zinc/64/48/22/950644822.db2.gz OWTJWWAHFULHPM-HIFRSBDPSA-N 1 2 386.460 -0.193 20 0 GBADLO C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575922187 950645348 /nfs/dbraw/zinc/64/53/48/950645348.db2.gz OWTJWWAHFULHPM-UKRRQHHQSA-N 1 2 386.460 -0.193 20 0 GBADLO C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575922195 950645046 /nfs/dbraw/zinc/64/50/46/950645046.db2.gz OWTJWWAHFULHPM-ZFWWWQNUSA-N 1 2 386.460 -0.193 20 0 GBADLO C[C@@H]1[C@H](Nc2cnc(-c3nn[nH]n3)cn2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575926683 950716969 /nfs/dbraw/zinc/71/69/69/950716969.db2.gz LARJIIAGSIXTDM-CHWSQXEVSA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@@H]1[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575926685 950716862 /nfs/dbraw/zinc/71/68/62/950716862.db2.gz LARJIIAGSIXTDM-OLZOCXBDSA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@H]1[C@H](Nc2cnc(-c3nn[nH]n3)cn2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575926687 950718894 /nfs/dbraw/zinc/71/88/94/950718894.db2.gz LARJIIAGSIXTDM-QWHCGFSZSA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@H]1[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575926689 950717450 /nfs/dbraw/zinc/71/74/50/950717450.db2.gz LARJIIAGSIXTDM-STQMWFEESA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@@H]1[C@H](Nc2cncc(-c3nn[nH]n3)n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575935070 950873538 /nfs/dbraw/zinc/87/35/38/950873538.db2.gz UUBXMUGQJTXFCN-CHWSQXEVSA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@@H]1[C@@H](Nc2cncc(-c3nn[nH]n3)n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575935072 950870951 /nfs/dbraw/zinc/87/09/51/950870951.db2.gz UUBXMUGQJTXFCN-OLZOCXBDSA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@H]1[C@H](Nc2cncc(-c3nn[nH]n3)n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575935074 950871520 /nfs/dbraw/zinc/87/15/20/950871520.db2.gz UUBXMUGQJTXFCN-QWHCGFSZSA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@H]1[C@@H](Nc2cncc(-c3nn[nH]n3)n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575935075 950870252 /nfs/dbraw/zinc/87/02/52/950870252.db2.gz UUBXMUGQJTXFCN-STQMWFEESA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@@H]1[C@H](Nc2nccnc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575936465 950910815 /nfs/dbraw/zinc/91/08/15/950910815.db2.gz FFZPYROJPBIWPV-CHWSQXEVSA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@@H]1[C@@H](Nc2nccnc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575936466 950912847 /nfs/dbraw/zinc/91/28/47/950912847.db2.gz FFZPYROJPBIWPV-OLZOCXBDSA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@H]1[C@H](Nc2nccnc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575936467 950913545 /nfs/dbraw/zinc/91/35/45/950913545.db2.gz FFZPYROJPBIWPV-QWHCGFSZSA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@H]1[C@@H](Nc2nccnc2-c2nn[nH]n2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001575936468 950913237 /nfs/dbraw/zinc/91/32/37/950913237.db2.gz FFZPYROJPBIWPV-STQMWFEESA-N 1 2 387.448 -0.220 20 0 GBADLO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576152221 949240904 /nfs/dbraw/zinc/24/09/04/949240904.db2.gz JDIWGXZXGCGLCD-NEPJUHHUSA-N 1 2 390.448 -0.150 20 0 GBADLO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576152222 949242401 /nfs/dbraw/zinc/24/24/01/949242401.db2.gz JDIWGXZXGCGLCD-NWDGAFQWSA-N 1 2 390.448 -0.150 20 0 GBADLO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576152223 949243256 /nfs/dbraw/zinc/24/32/56/949243256.db2.gz JDIWGXZXGCGLCD-RYUDHWBXSA-N 1 2 390.448 -0.150 20 0 GBADLO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576152224 949245602 /nfs/dbraw/zinc/24/56/02/949245602.db2.gz JDIWGXZXGCGLCD-VXGBXAGGSA-N 1 2 390.448 -0.150 20 0 GBADLO C[C@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCCC[C@H]1C ZINC001576168411 949635590 /nfs/dbraw/zinc/63/55/90/949635590.db2.gz UERLHAOLEHPNQE-GHMZBOCLSA-N 1 2 376.421 -0.492 20 0 GBADLO C[C@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCCC[C@H]1C ZINC001576168411 949635576 /nfs/dbraw/zinc/63/55/76/949635576.db2.gz UERLHAOLEHPNQE-GHMZBOCLSA-N 1 2 376.421 -0.492 20 0 GBADLO C[C@@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCCC[C@H]1C ZINC001576168412 949634630 /nfs/dbraw/zinc/63/46/30/949634630.db2.gz UERLHAOLEHPNQE-MNOVXSKESA-N 1 2 376.421 -0.492 20 0 GBADLO C[C@@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCCC[C@H]1C ZINC001576168412 949634620 /nfs/dbraw/zinc/63/46/20/949634620.db2.gz UERLHAOLEHPNQE-MNOVXSKESA-N 1 2 376.421 -0.492 20 0 GBADLO C[C@@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCCC[C@@H]1C ZINC001576168413 949635493 /nfs/dbraw/zinc/63/54/93/949635493.db2.gz UERLHAOLEHPNQE-QWRGUYRKSA-N 1 2 376.421 -0.492 20 0 GBADLO C[C@@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCCC[C@@H]1C ZINC001576168413 949635484 /nfs/dbraw/zinc/63/54/84/949635484.db2.gz UERLHAOLEHPNQE-QWRGUYRKSA-N 1 2 376.421 -0.492 20 0 GBADLO C[C@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCCC[C@@H]1C ZINC001576168418 949636622 /nfs/dbraw/zinc/63/66/22/949636622.db2.gz UERLHAOLEHPNQE-WDEREUQCSA-N 1 2 376.421 -0.492 20 0 GBADLO C[C@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCCC[C@@H]1C ZINC001576168418 949636612 /nfs/dbraw/zinc/63/66/12/949636612.db2.gz UERLHAOLEHPNQE-WDEREUQCSA-N 1 2 376.421 -0.492 20 0 GBADLO C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001576171840 949780337 /nfs/dbraw/zinc/78/03/37/949780337.db2.gz UEADHMDTKWBASY-GWCFXTLKSA-N 1 2 385.436 -0.251 20 0 GBADLO C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001576171841 949782529 /nfs/dbraw/zinc/78/25/29/949782529.db2.gz UEADHMDTKWBASY-GXFFZTMASA-N 1 2 385.436 -0.251 20 0 GBADLO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001576172003 949786179 /nfs/dbraw/zinc/78/61/79/949786179.db2.gz UEADHMDTKWBASY-MFKMUULPSA-N 1 2 385.436 -0.251 20 0 GBADLO C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001576172005 949785949 /nfs/dbraw/zinc/78/59/49/949785949.db2.gz UEADHMDTKWBASY-ZWNOBZJWSA-N 1 2 385.436 -0.251 20 0 GBADLO C[C@@H]1CCC[N@@H+](CCNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001576177739 949852854 /nfs/dbraw/zinc/85/28/54/949852854.db2.gz AYLQJYGKAKADBA-LLVKDONJSA-N 1 2 376.421 -0.633 20 0 GBADLO C[C@@H]1CCC[N@H+](CCNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001576177739 949852821 /nfs/dbraw/zinc/85/28/21/949852821.db2.gz AYLQJYGKAKADBA-LLVKDONJSA-N 1 2 376.421 -0.633 20 0 GBADLO C[C@H]1CCC[N@@H+](CCNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001576177740 949856949 /nfs/dbraw/zinc/85/69/49/949856949.db2.gz AYLQJYGKAKADBA-NSHDSACASA-N 1 2 376.421 -0.633 20 0 GBADLO C[C@H]1CCC[N@H+](CCNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001576177740 949856929 /nfs/dbraw/zinc/85/69/29/949856929.db2.gz AYLQJYGKAKADBA-NSHDSACASA-N 1 2 376.421 -0.633 20 0 GBADLO C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001576177990 949870955 /nfs/dbraw/zinc/87/09/55/949870955.db2.gz AHFLLGKWQUYEDS-GWCFXTLKSA-N 1 2 385.436 -0.251 20 0 GBADLO C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001576177991 949869124 /nfs/dbraw/zinc/86/91/24/949869124.db2.gz AHFLLGKWQUYEDS-GXFFZTMASA-N 1 2 385.436 -0.251 20 0 GBADLO C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001576177993 949868457 /nfs/dbraw/zinc/86/84/57/949868457.db2.gz AHFLLGKWQUYEDS-MFKMUULPSA-N 1 2 385.436 -0.251 20 0 GBADLO C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001576177995 949871955 /nfs/dbraw/zinc/87/19/55/949871955.db2.gz AHFLLGKWQUYEDS-ZWNOBZJWSA-N 1 2 385.436 -0.251 20 0 GBADLO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576180272 949950100 /nfs/dbraw/zinc/95/01/00/949950100.db2.gz OMHKGMIMOLKBRU-GHMZBOCLSA-N 1 2 376.421 -0.634 20 0 GBADLO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576180272 949950078 /nfs/dbraw/zinc/95/00/78/949950078.db2.gz OMHKGMIMOLKBRU-GHMZBOCLSA-N 1 2 376.421 -0.634 20 0 GBADLO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576180273 949947668 /nfs/dbraw/zinc/94/76/68/949947668.db2.gz OMHKGMIMOLKBRU-MNOVXSKESA-N 1 2 376.421 -0.634 20 0 GBADLO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576180273 949947652 /nfs/dbraw/zinc/94/76/52/949947652.db2.gz OMHKGMIMOLKBRU-MNOVXSKESA-N 1 2 376.421 -0.634 20 0 GBADLO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576180274 949949663 /nfs/dbraw/zinc/94/96/63/949949663.db2.gz OMHKGMIMOLKBRU-QWRGUYRKSA-N 1 2 376.421 -0.634 20 0 GBADLO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576180274 949949642 /nfs/dbraw/zinc/94/96/42/949949642.db2.gz OMHKGMIMOLKBRU-QWRGUYRKSA-N 1 2 376.421 -0.634 20 0 GBADLO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576180275 949948582 /nfs/dbraw/zinc/94/85/82/949948582.db2.gz OMHKGMIMOLKBRU-WDEREUQCSA-N 1 2 376.421 -0.634 20 0 GBADLO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576180275 949948568 /nfs/dbraw/zinc/94/85/68/949948568.db2.gz OMHKGMIMOLKBRU-WDEREUQCSA-N 1 2 376.421 -0.634 20 0 GBADLO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001576181478 950007230 /nfs/dbraw/zinc/00/72/30/950007230.db2.gz VAKVODOKZGSRNC-LLVKDONJSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001576181478 950007208 /nfs/dbraw/zinc/00/72/08/950007208.db2.gz VAKVODOKZGSRNC-LLVKDONJSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001576181480 950006687 /nfs/dbraw/zinc/00/66/87/950006687.db2.gz VAKVODOKZGSRNC-NSHDSACASA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001576181480 950006660 /nfs/dbraw/zinc/00/66/60/950006660.db2.gz VAKVODOKZGSRNC-NSHDSACASA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC001576182346 950050239 /nfs/dbraw/zinc/05/02/39/950050239.db2.gz ZFYOYZXQEVSIIL-NEPJUHHUSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001576182346 950050216 /nfs/dbraw/zinc/05/02/16/950050216.db2.gz ZFYOYZXQEVSIIL-NEPJUHHUSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC001576182351 950051248 /nfs/dbraw/zinc/05/12/48/950051248.db2.gz ZFYOYZXQEVSIIL-NWDGAFQWSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC001576182351 950051224 /nfs/dbraw/zinc/05/12/24/950051224.db2.gz ZFYOYZXQEVSIIL-NWDGAFQWSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC001576182354 950048912 /nfs/dbraw/zinc/04/89/12/950048912.db2.gz ZFYOYZXQEVSIIL-RYUDHWBXSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC001576182354 950048891 /nfs/dbraw/zinc/04/88/91/950048891.db2.gz ZFYOYZXQEVSIIL-RYUDHWBXSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC001576182360 950049264 /nfs/dbraw/zinc/04/92/64/950049264.db2.gz ZFYOYZXQEVSIIL-VXGBXAGGSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001576182360 950049242 /nfs/dbraw/zinc/04/92/42/950049242.db2.gz ZFYOYZXQEVSIIL-VXGBXAGGSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[NH+]1CCC(C)CC1 ZINC001576193618 950306530 /nfs/dbraw/zinc/30/65/30/950306530.db2.gz UWKDXVXRTWSSGW-LLVKDONJSA-N 1 2 376.421 -0.634 20 0 GBADLO C[C@@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[NH+]1CCC(C)CC1 ZINC001576193619 950309478 /nfs/dbraw/zinc/30/94/78/950309478.db2.gz UWKDXVXRTWSSGW-NSHDSACASA-N 1 2 376.421 -0.634 20 0 GBADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576193929 950322401 /nfs/dbraw/zinc/32/24/01/950322401.db2.gz WOHCNYXAIJZYJA-KBPBESRZSA-N 1 2 388.476 -0.141 20 0 GBADLO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576193929 950322380 /nfs/dbraw/zinc/32/23/80/950322380.db2.gz WOHCNYXAIJZYJA-KBPBESRZSA-N 1 2 388.476 -0.141 20 0 GBADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576193930 950321592 /nfs/dbraw/zinc/32/15/92/950321592.db2.gz WOHCNYXAIJZYJA-KGLIPLIRSA-N 1 2 388.476 -0.141 20 0 GBADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576193930 950321575 /nfs/dbraw/zinc/32/15/75/950321575.db2.gz WOHCNYXAIJZYJA-KGLIPLIRSA-N 1 2 388.476 -0.141 20 0 GBADLO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576193931 950324555 /nfs/dbraw/zinc/32/45/55/950324555.db2.gz WOHCNYXAIJZYJA-UONOGXRCSA-N 1 2 388.476 -0.141 20 0 GBADLO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576193931 950324533 /nfs/dbraw/zinc/32/45/33/950324533.db2.gz WOHCNYXAIJZYJA-UONOGXRCSA-N 1 2 388.476 -0.141 20 0 GBADLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576193932 950323940 /nfs/dbraw/zinc/32/39/40/950323940.db2.gz WOHCNYXAIJZYJA-ZIAGYGMSSA-N 1 2 388.476 -0.141 20 0 GBADLO C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576193932 950323925 /nfs/dbraw/zinc/32/39/25/950323925.db2.gz WOHCNYXAIJZYJA-ZIAGYGMSSA-N 1 2 388.476 -0.141 20 0 GBADLO CC1CC[NH+](CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CC1 ZINC001576205552 950525650 /nfs/dbraw/zinc/52/56/50/950525650.db2.gz ADYVFLJQYXGWSY-CHWSQXEVSA-N 1 2 387.448 -0.946 20 0 GBADLO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576206888 950583353 /nfs/dbraw/zinc/58/33/53/950583353.db2.gz ZKQZMLNHCNKHDR-ACJLOTCBSA-N 1 2 386.460 -0.339 20 0 GBADLO C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576206888 950583338 /nfs/dbraw/zinc/58/33/38/950583338.db2.gz ZKQZMLNHCNKHDR-ACJLOTCBSA-N 1 2 386.460 -0.339 20 0 GBADLO C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576206890 950581788 /nfs/dbraw/zinc/58/17/88/950581788.db2.gz ZKQZMLNHCNKHDR-FZKQIMNGSA-N 1 2 386.460 -0.339 20 0 GBADLO C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576206890 950581781 /nfs/dbraw/zinc/58/17/81/950581781.db2.gz ZKQZMLNHCNKHDR-FZKQIMNGSA-N 1 2 386.460 -0.339 20 0 GBADLO C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576206892 950580984 /nfs/dbraw/zinc/58/09/84/950580984.db2.gz ZKQZMLNHCNKHDR-SCLBCKFNSA-N 1 2 386.460 -0.339 20 0 GBADLO C[C@H]1CC[N@H+](CC(=O)NC[C@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576206892 950580972 /nfs/dbraw/zinc/58/09/72/950580972.db2.gz ZKQZMLNHCNKHDR-SCLBCKFNSA-N 1 2 386.460 -0.339 20 0 GBADLO C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576206894 950582351 /nfs/dbraw/zinc/58/23/51/950582351.db2.gz ZKQZMLNHCNKHDR-UGSOOPFHSA-N 1 2 386.460 -0.339 20 0 GBADLO C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576206894 950582338 /nfs/dbraw/zinc/58/23/38/950582338.db2.gz ZKQZMLNHCNKHDR-UGSOOPFHSA-N 1 2 386.460 -0.339 20 0 GBADLO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001576206950 950582760 /nfs/dbraw/zinc/58/27/60/950582760.db2.gz ZUFDVOSMAATIMB-KBPBESRZSA-N 1 2 386.460 -0.075 20 0 GBADLO C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001576206950 950582745 /nfs/dbraw/zinc/58/27/45/950582745.db2.gz ZUFDVOSMAATIMB-KBPBESRZSA-N 1 2 386.460 -0.075 20 0 GBADLO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001576206951 950581100 /nfs/dbraw/zinc/58/11/00/950581100.db2.gz ZUFDVOSMAATIMB-KGLIPLIRSA-N 1 2 386.460 -0.075 20 0 GBADLO C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001576206951 950581087 /nfs/dbraw/zinc/58/10/87/950581087.db2.gz ZUFDVOSMAATIMB-KGLIPLIRSA-N 1 2 386.460 -0.075 20 0 GBADLO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001576206952 950582248 /nfs/dbraw/zinc/58/22/48/950582248.db2.gz ZUFDVOSMAATIMB-UONOGXRCSA-N 1 2 386.460 -0.075 20 0 GBADLO C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001576206952 950582231 /nfs/dbraw/zinc/58/22/31/950582231.db2.gz ZUFDVOSMAATIMB-UONOGXRCSA-N 1 2 386.460 -0.075 20 0 GBADLO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001576206953 950580927 /nfs/dbraw/zinc/58/09/27/950580927.db2.gz ZUFDVOSMAATIMB-ZIAGYGMSSA-N 1 2 386.460 -0.075 20 0 GBADLO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)CCO2)C1 ZINC001576206953 950580913 /nfs/dbraw/zinc/58/09/13/950580913.db2.gz ZUFDVOSMAATIMB-ZIAGYGMSSA-N 1 2 386.460 -0.075 20 0 GBADLO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576213681 950639601 /nfs/dbraw/zinc/63/96/01/950639601.db2.gz GNACRTOUUFXTMT-GFCCVEGCSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001576213682 950640120 /nfs/dbraw/zinc/64/01/20/950640120.db2.gz GNACRTOUUFXTMT-LBPRGKRZSA-N 1 2 390.448 -0.244 20 0 GBADLO C[C@H]1CC[N@@H+](CCNC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001576214097 950660069 /nfs/dbraw/zinc/66/00/69/950660069.db2.gz NAGUJADPBPUDFX-JTQLQIEISA-N 1 2 389.420 -0.963 20 0 GBADLO C[C@H]1CC[N@H+](CCNC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001576214097 950660034 /nfs/dbraw/zinc/66/00/34/950660034.db2.gz NAGUJADPBPUDFX-JTQLQIEISA-N 1 2 389.420 -0.963 20 0 GBADLO C[C@@H]1CC[N@@H+](CCNC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001576214098 950661204 /nfs/dbraw/zinc/66/12/04/950661204.db2.gz NAGUJADPBPUDFX-SNVBAGLBSA-N 1 2 389.420 -0.963 20 0 GBADLO C[C@@H]1CC[N@H+](CCNC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001576214098 950661176 /nfs/dbraw/zinc/66/11/76/950661176.db2.gz NAGUJADPBPUDFX-SNVBAGLBSA-N 1 2 389.420 -0.963 20 0 GBADLO CC1CC[NH+](CCNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001576215961 950718118 /nfs/dbraw/zinc/71/81/18/950718118.db2.gz XBNJOBUBYLMYEO-UHFFFAOYSA-N 1 2 376.421 -0.633 20 0 GBADLO C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)CC2)CC1 ZINC001588870422 962058999 /nfs/dbraw/zinc/05/89/99/962058999.db2.gz JYOCYTHWLTULJN-INIZCTEOSA-N 1 2 380.489 -0.016 20 0 GBADLO C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)CC2)CC1 ZINC001588870423 962059157 /nfs/dbraw/zinc/05/91/57/962059157.db2.gz JYOCYTHWLTULJN-MRXNPFEDSA-N 1 2 380.489 -0.016 20 0 GBADLO CC(C)[C@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)[O-] ZINC001591026025 991327485 /nfs/dbraw/zinc/32/74/85/991327485.db2.gz YAYHDDDJWIIHPE-AWEZNQCLSA-N 1 2 375.433 -0.289 20 0 GBADLO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001591591185 992806661 /nfs/dbraw/zinc/80/66/61/992806661.db2.gz PFCJZJQUYNROGF-GOSISDBHSA-N 1 2 384.477 -0.827 20 0 GBADLO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001591591186 992806188 /nfs/dbraw/zinc/80/61/88/992806188.db2.gz PFCJZJQUYNROGF-SFHVURJKSA-N 1 2 384.477 -0.827 20 0 GBADLO CC(C)N1CC[NH+](CCC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1 ZINC001591630339 992934666 /nfs/dbraw/zinc/93/46/66/992934666.db2.gz ZBQLFYMLTWEMGC-UHFFFAOYSA-N 1 2 383.537 -0.437 20 0 GBADLO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001592615968 978578035 /nfs/dbraw/zinc/57/80/35/978578035.db2.gz OSEGOBUWWPNUIO-CRAIPNDOSA-N 1 2 383.493 -0.807 20 0 GBADLO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001592615974 978578144 /nfs/dbraw/zinc/57/81/44/978578144.db2.gz OSEGOBUWWPNUIO-MAUKXSAKSA-N 1 2 383.493 -0.807 20 0 GBADLO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001592615976 978578019 /nfs/dbraw/zinc/57/80/19/978578019.db2.gz OSEGOBUWWPNUIO-QAPCUYQASA-N 1 2 383.493 -0.807 20 0 GBADLO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001592615980 978578157 /nfs/dbraw/zinc/57/81/57/978578157.db2.gz OSEGOBUWWPNUIO-YJBOKZPZSA-N 1 2 383.493 -0.807 20 0 GBADLO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001593691845 954041388 /nfs/dbraw/zinc/04/13/88/954041388.db2.gz BQYFIYHMIWEPCI-UHFFFAOYSA-N 1 2 391.534 -0.098 20 0 GBADLO CN(C(=O)NCCOCCOCC(=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001593775270 954599473 /nfs/dbraw/zinc/59/94/73/954599473.db2.gz GFHCIUIZNZXJIB-INIZCTEOSA-N 1 2 386.493 -0.086 20 0 GBADLO CN(C(=O)NCCOCCOCC(=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001593775270 954599465 /nfs/dbraw/zinc/59/94/65/954599465.db2.gz GFHCIUIZNZXJIB-INIZCTEOSA-N 1 2 386.493 -0.086 20 0 GBADLO CN(C(=O)NCCOCCOCC(=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001593775271 954600515 /nfs/dbraw/zinc/60/05/15/954600515.db2.gz GFHCIUIZNZXJIB-MRXNPFEDSA-N 1 2 386.493 -0.086 20 0 GBADLO CN(C(=O)NCCOCCOCC(=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001593775271 954600511 /nfs/dbraw/zinc/60/05/11/954600511.db2.gz GFHCIUIZNZXJIB-MRXNPFEDSA-N 1 2 386.493 -0.086 20 0 GBADLO CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001593775284 954602044 /nfs/dbraw/zinc/60/20/44/954602044.db2.gz HOLOCKLJZMXWME-CVEARBPZSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001593775284 954602033 /nfs/dbraw/zinc/60/20/33/954602033.db2.gz HOLOCKLJZMXWME-CVEARBPZSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001593775285 954601720 /nfs/dbraw/zinc/60/17/20/954601720.db2.gz HOLOCKLJZMXWME-HOTGVXAUSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001593775285 954601710 /nfs/dbraw/zinc/60/17/10/954601710.db2.gz HOLOCKLJZMXWME-HOTGVXAUSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001593775286 954601187 /nfs/dbraw/zinc/60/11/87/954601187.db2.gz HOLOCKLJZMXWME-HZPDHXFCSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001593775286 954601182 /nfs/dbraw/zinc/60/11/82/954601182.db2.gz HOLOCKLJZMXWME-HZPDHXFCSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001593775287 954601483 /nfs/dbraw/zinc/60/14/83/954601483.db2.gz HOLOCKLJZMXWME-JKSUJKDBSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001593775287 954601477 /nfs/dbraw/zinc/60/14/77/954601477.db2.gz HOLOCKLJZMXWME-JKSUJKDBSA-N 1 2 380.489 -0.064 20 0 GBADLO C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCS(=O)(=O)CC(=O)[O-])cc2)CC1 ZINC001593780642 954652648 /nfs/dbraw/zinc/65/26/48/954652648.db2.gz AIRQJZVGYPNYHG-UHFFFAOYSA-N 1 2 383.470 -0.337 20 0 GBADLO CN(C(=O)[C@]1(C(=O)[O-])CCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001593781104 954664016 /nfs/dbraw/zinc/66/40/16/954664016.db2.gz HHJUWFICNPZFIC-IBGZPJMESA-N 1 2 396.488 -0.683 20 0 GBADLO CN(C(=O)[C@@]1(C(=O)[O-])CCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001593781107 954663548 /nfs/dbraw/zinc/66/35/48/954663548.db2.gz HHJUWFICNPZFIC-LJQANCHMSA-N 1 2 396.488 -0.683 20 0 GBADLO COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001593972929 956637718 /nfs/dbraw/zinc/63/77/18/956637718.db2.gz URFCSIVLPFZCLU-KBXCAEBGSA-N 1 2 384.477 -0.334 20 0 GBADLO COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001593972929 956637714 /nfs/dbraw/zinc/63/77/14/956637714.db2.gz URFCSIVLPFZCLU-KBXCAEBGSA-N 1 2 384.477 -0.334 20 0 GBADLO COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001593972932 956637274 /nfs/dbraw/zinc/63/72/74/956637274.db2.gz URFCSIVLPFZCLU-KDOFPFPSSA-N 1 2 384.477 -0.334 20 0 GBADLO COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001593972932 956637268 /nfs/dbraw/zinc/63/72/68/956637268.db2.gz URFCSIVLPFZCLU-KDOFPFPSSA-N 1 2 384.477 -0.334 20 0 GBADLO COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001593972937 956638835 /nfs/dbraw/zinc/63/88/35/956638835.db2.gz URFCSIVLPFZCLU-KSSFIOAISA-N 1 2 384.477 -0.334 20 0 GBADLO COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001593972937 956638827 /nfs/dbraw/zinc/63/88/27/956638827.db2.gz URFCSIVLPFZCLU-KSSFIOAISA-N 1 2 384.477 -0.334 20 0 GBADLO COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001593972943 956638447 /nfs/dbraw/zinc/63/84/47/956638447.db2.gz URFCSIVLPFZCLU-RDTXWAMCSA-N 1 2 384.477 -0.334 20 0 GBADLO COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001593972943 956638441 /nfs/dbraw/zinc/63/84/41/956638441.db2.gz URFCSIVLPFZCLU-RDTXWAMCSA-N 1 2 384.477 -0.334 20 0 GBADLO O=C([O-])C[NH+]1CCC(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC001595073887 951621651 /nfs/dbraw/zinc/62/16/51/951621651.db2.gz BCWUMMBBNCLJJO-UHFFFAOYSA-N 1 2 376.461 -0.105 20 0 GBADLO CCOC1CC(CNC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)([NH+]2CCOCC2)C1 ZINC001596804580 985327755 /nfs/dbraw/zinc/32/77/55/985327755.db2.gz VHRWEINAEPYLNU-LYGPFTKASA-N 1 2 398.504 -0.086 20 0 GBADLO CCOC1CC(CNC(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)([NH+]2CCOCC2)C1 ZINC001596804580 985327743 /nfs/dbraw/zinc/32/77/43/985327743.db2.gz VHRWEINAEPYLNU-LYGPFTKASA-N 1 2 398.504 -0.086 20 0 GBADLO CCOC1CC(CNC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)([NH+]2CCOCC2)C1 ZINC001596804581 985327175 /nfs/dbraw/zinc/32/71/75/985327175.db2.gz VHRWEINAEPYLNU-MDCZIUGASA-N 1 2 398.504 -0.086 20 0 GBADLO CCOC1CC(CNC(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)([NH+]2CCOCC2)C1 ZINC001596804581 985327162 /nfs/dbraw/zinc/32/71/62/985327162.db2.gz VHRWEINAEPYLNU-MDCZIUGASA-N 1 2 398.504 -0.086 20 0 GBADLO C[N@@H+](CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)[O-] ZINC001598490449 992281739 /nfs/dbraw/zinc/28/17/39/992281739.db2.gz HHVXWTWIUZTNHO-UHFFFAOYSA-N 1 2 377.445 -0.357 20 0 GBADLO C[N@H+](CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)[O-] ZINC001598490449 992281730 /nfs/dbraw/zinc/28/17/30/992281730.db2.gz HHVXWTWIUZTNHO-UHFFFAOYSA-N 1 2 377.445 -0.357 20 0 GBADLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598583410 993349520 /nfs/dbraw/zinc/34/95/20/993349520.db2.gz FHPWFRVPLJQWRI-UKRRQHHQSA-N 1 2 384.477 -0.923 20 0 GBADLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001598583410 993349519 /nfs/dbraw/zinc/34/95/19/993349519.db2.gz FHPWFRVPLJQWRI-UKRRQHHQSA-N 1 2 384.477 -0.923 20 0 GBADLO Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C(=O)[O-] ZINC001598584917 993368810 /nfs/dbraw/zinc/36/88/10/993368810.db2.gz HLHZXDODFPZMQO-GFCCVEGCSA-N 1 2 377.445 -0.054 20 0 GBADLO Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C(=O)[O-] ZINC001598584917 993368802 /nfs/dbraw/zinc/36/88/02/993368802.db2.gz HLHZXDODFPZMQO-GFCCVEGCSA-N 1 2 377.445 -0.054 20 0 GBADLO Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C(=O)[O-] ZINC001598584920 993368763 /nfs/dbraw/zinc/36/87/63/993368763.db2.gz HLHZXDODFPZMQO-LBPRGKRZSA-N 1 2 377.445 -0.054 20 0 GBADLO Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C(=O)[O-] ZINC001598584920 993368759 /nfs/dbraw/zinc/36/87/59/993368759.db2.gz HLHZXDODFPZMQO-LBPRGKRZSA-N 1 2 377.445 -0.054 20 0 GBADLO CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001598585443 993375752 /nfs/dbraw/zinc/37/57/52/993375752.db2.gz KNHSDAFGANCMMC-CVEARBPZSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001598585443 993375751 /nfs/dbraw/zinc/37/57/51/993375751.db2.gz KNHSDAFGANCMMC-CVEARBPZSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001598585444 993375648 /nfs/dbraw/zinc/37/56/48/993375648.db2.gz KNHSDAFGANCMMC-HOTGVXAUSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001598585444 993375644 /nfs/dbraw/zinc/37/56/44/993375644.db2.gz KNHSDAFGANCMMC-HOTGVXAUSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001598585445 993375658 /nfs/dbraw/zinc/37/56/58/993375658.db2.gz KNHSDAFGANCMMC-HZPDHXFCSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001598585445 993375656 /nfs/dbraw/zinc/37/56/56/993375656.db2.gz KNHSDAFGANCMMC-HZPDHXFCSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001598585446 993375743 /nfs/dbraw/zinc/37/57/43/993375743.db2.gz KNHSDAFGANCMMC-JKSUJKDBSA-N 1 2 380.489 -0.064 20 0 GBADLO CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001598585446 993375742 /nfs/dbraw/zinc/37/57/42/993375742.db2.gz KNHSDAFGANCMMC-JKSUJKDBSA-N 1 2 380.489 -0.064 20 0 GBADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C3CC3)C2)CC1 ZINC001598585860 993381305 /nfs/dbraw/zinc/38/13/05/993381305.db2.gz NZTFAVOOGJRCBT-CABCVRRESA-N 1 2 380.489 -0.112 20 0 GBADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C3CC3)C2)CC1 ZINC001598585860 993381304 /nfs/dbraw/zinc/38/13/04/993381304.db2.gz NZTFAVOOGJRCBT-CABCVRRESA-N 1 2 380.489 -0.112 20 0 GBADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H](CC(=O)[O-])C3CC3)C2)CC1 ZINC001598585861 993381931 /nfs/dbraw/zinc/38/19/31/993381931.db2.gz NZTFAVOOGJRCBT-GJZGRUSLSA-N 1 2 380.489 -0.112 20 0 GBADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H](CC(=O)[O-])C3CC3)C2)CC1 ZINC001598585861 993381926 /nfs/dbraw/zinc/38/19/26/993381926.db2.gz NZTFAVOOGJRCBT-GJZGRUSLSA-N 1 2 380.489 -0.112 20 0 GBADLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C3CC3)C2)CC1 ZINC001598585862 993381575 /nfs/dbraw/zinc/38/15/75/993381575.db2.gz NZTFAVOOGJRCBT-HUUCEWRRSA-N 1 2 380.489 -0.112 20 0 GBADLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H](CC(=O)[O-])C3CC3)C2)CC1 ZINC001598585862 993381571 /nfs/dbraw/zinc/38/15/71/993381571.db2.gz NZTFAVOOGJRCBT-HUUCEWRRSA-N 1 2 380.489 -0.112 20 0 GBADLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H](CC(=O)[O-])C3CC3)C2)CC1 ZINC001598585863 993381619 /nfs/dbraw/zinc/38/16/19/993381619.db2.gz NZTFAVOOGJRCBT-LSDHHAIUSA-N 1 2 380.489 -0.112 20 0 GBADLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H](CC(=O)[O-])C3CC3)C2)CC1 ZINC001598585863 993381614 /nfs/dbraw/zinc/38/16/14/993381614.db2.gz NZTFAVOOGJRCBT-LSDHHAIUSA-N 1 2 380.489 -0.112 20 0 GBADLO CN(C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598586951 993398526 /nfs/dbraw/zinc/39/85/26/993398526.db2.gz YHXUEVGENILPKF-AKAXFMLLSA-N 1 2 380.489 -0.017 20 0 GBADLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)C2)CC1 ZINC001598586967 993398847 /nfs/dbraw/zinc/39/88/47/993398847.db2.gz YMFAAECWRYZSRO-AUUYWEPGSA-N 1 2 380.489 -0.016 20 0 GBADLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)C2)CC1 ZINC001598586967 993398842 /nfs/dbraw/zinc/39/88/42/993398842.db2.gz YMFAAECWRYZSRO-AUUYWEPGSA-N 1 2 380.489 -0.016 20 0 GBADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)C2)CC1 ZINC001598586970 993398117 /nfs/dbraw/zinc/39/81/17/993398117.db2.gz YMFAAECWRYZSRO-IFXJQAMLSA-N 1 2 380.489 -0.016 20 0 GBADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)C2)CC1 ZINC001598586970 993398114 /nfs/dbraw/zinc/39/81/14/993398114.db2.gz YMFAAECWRYZSRO-IFXJQAMLSA-N 1 2 380.489 -0.016 20 0 GBADLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@](C)(C(=O)[O-])C3)C2)CC1 ZINC001598586973 993398676 /nfs/dbraw/zinc/39/86/76/993398676.db2.gz YMFAAECWRYZSRO-KUHUBIRLSA-N 1 2 380.489 -0.016 20 0 GBADLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@](C)(C(=O)[O-])C3)C2)CC1 ZINC001598586973 993398673 /nfs/dbraw/zinc/39/86/73/993398673.db2.gz YMFAAECWRYZSRO-KUHUBIRLSA-N 1 2 380.489 -0.016 20 0 GBADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@](C)(C(=O)[O-])C3)C2)CC1 ZINC001598586977 993398518 /nfs/dbraw/zinc/39/85/18/993398518.db2.gz YMFAAECWRYZSRO-LIRRHRJNSA-N 1 2 380.489 -0.016 20 0 GBADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@](C)(C(=O)[O-])C3)C2)CC1 ZINC001598586977 993398514 /nfs/dbraw/zinc/39/85/14/993398514.db2.gz YMFAAECWRYZSRO-LIRRHRJNSA-N 1 2 380.489 -0.016 20 0 GBADLO CN(C(=O)NCCn1cc(C(=O)[O-])nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001598587028 993399676 /nfs/dbraw/zinc/39/96/76/993399676.db2.gz ZQILPEJCIHPZLP-AWEZNQCLSA-N 1 2 379.465 -0.214 20 0 GBADLO CN(C(=O)NCCn1cc(C(=O)[O-])nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001598587028 993399672 /nfs/dbraw/zinc/39/96/72/993399672.db2.gz ZQILPEJCIHPZLP-AWEZNQCLSA-N 1 2 379.465 -0.214 20 0 GBADLO CN(C(=O)NCCn1cc(C(=O)[O-])nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001598587029 993399972 /nfs/dbraw/zinc/39/99/72/993399972.db2.gz ZQILPEJCIHPZLP-CQSZACIVSA-N 1 2 379.465 -0.214 20 0 GBADLO CN(C(=O)NCCn1cc(C(=O)[O-])nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001598587029 993399969 /nfs/dbraw/zinc/39/99/69/993399969.db2.gz ZQILPEJCIHPZLP-CQSZACIVSA-N 1 2 379.465 -0.214 20 0 GBADLO CN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001598587032 993399806 /nfs/dbraw/zinc/39/98/06/993399806.db2.gz ZXFZJSNEIOORQH-HNNXBMFYSA-N 1 2 383.493 -0.223 20 0 GBADLO CN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001598587032 993399802 /nfs/dbraw/zinc/39/98/02/993399802.db2.gz ZXFZJSNEIOORQH-HNNXBMFYSA-N 1 2 383.493 -0.223 20 0 GBADLO CN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001598587033 993399618 /nfs/dbraw/zinc/39/96/18/993399618.db2.gz ZXFZJSNEIOORQH-OAHLLOKOSA-N 1 2 383.493 -0.223 20 0 GBADLO CN(C(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001598587033 993399615 /nfs/dbraw/zinc/39/96/15/993399615.db2.gz ZXFZJSNEIOORQH-OAHLLOKOSA-N 1 2 383.493 -0.223 20 0 GBADLO C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(n3cc(C(=O)[O-])nn3)CC1)C2=O ZINC001598589833 993431453 /nfs/dbraw/zinc/43/14/53/993431453.db2.gz HZUPSCDIMHZVCY-UHFFFAOYSA-N 1 2 391.432 -0.413 20 0 GBADLO CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001598604296 993618778 /nfs/dbraw/zinc/61/87/78/993618778.db2.gz GIXJQYHWUJBFJP-JKSUJKDBSA-N 1 2 380.489 -0.206 20 0 GBADLO CN(c1cncc(C(=O)[O-])n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001598604539 993622925 /nfs/dbraw/zinc/62/29/25/993622925.db2.gz NHQYUEOFIJVZIH-UHFFFAOYSA-N 1 2 376.461 -0.151 20 0 GBADLO CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001598605023 993633087 /nfs/dbraw/zinc/63/30/87/993633087.db2.gz UWTAMYUSYGCXOQ-CVEARBPZSA-N 1 2 396.488 -0.685 20 0 GBADLO C[N@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H](C(=O)[O-])C1 ZINC001598612055 993794608 /nfs/dbraw/zinc/79/46/08/993794608.db2.gz PCQGPSHETWRSAY-AWEZNQCLSA-N 1 2 380.449 -0.305 20 0 GBADLO C[N@@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H](C(=O)[O-])C1 ZINC001598612055 993794598 /nfs/dbraw/zinc/79/45/98/993794598.db2.gz PCQGPSHETWRSAY-AWEZNQCLSA-N 1 2 380.449 -0.305 20 0 GBADLO C[N@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C(=O)[O-])C1 ZINC001598612057 993794269 /nfs/dbraw/zinc/79/42/69/993794269.db2.gz PCQGPSHETWRSAY-CQSZACIVSA-N 1 2 380.449 -0.305 20 0 GBADLO C[N@@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C(=O)[O-])C1 ZINC001598612057 993794259 /nfs/dbraw/zinc/79/42/59/993794259.db2.gz PCQGPSHETWRSAY-CQSZACIVSA-N 1 2 380.449 -0.305 20 0 GBADLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])n[nH]1 ZINC001598615569 993873848 /nfs/dbraw/zinc/87/38/48/993873848.db2.gz FGNMSYWNAMNGGO-INIZCTEOSA-N 1 2 378.477 -0.049 20 0 GBADLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])n[nH]1 ZINC001598615569 993873841 /nfs/dbraw/zinc/87/38/41/993873841.db2.gz FGNMSYWNAMNGGO-INIZCTEOSA-N 1 2 378.477 -0.049 20 0 GBADLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])n[nH]1 ZINC001598615571 993874040 /nfs/dbraw/zinc/87/40/40/993874040.db2.gz FGNMSYWNAMNGGO-MRXNPFEDSA-N 1 2 378.477 -0.049 20 0 GBADLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])n[nH]1 ZINC001598615571 993874027 /nfs/dbraw/zinc/87/40/27/993874027.db2.gz FGNMSYWNAMNGGO-MRXNPFEDSA-N 1 2 378.477 -0.049 20 0 GBADLO C[NH+]1CCN(CC[N@@H+](CC(=O)[O-])Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001598616412 993889619 /nfs/dbraw/zinc/88/96/19/993889619.db2.gz GLIPJQZRPYOCRT-UHFFFAOYSA-N 1 2 388.465 -0.393 20 0 GBADLO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001598616412 993889617 /nfs/dbraw/zinc/88/96/17/993889617.db2.gz GLIPJQZRPYOCRT-UHFFFAOYSA-N 1 2 388.465 -0.393 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598757102 995733697 /nfs/dbraw/zinc/73/36/97/995733697.db2.gz NKIVOUNXJHPFFI-NXOAAHMSSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598757102 995733688 /nfs/dbraw/zinc/73/36/88/995733688.db2.gz NKIVOUNXJHPFFI-NXOAAHMSSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C[NH+]2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598757102 995733679 /nfs/dbraw/zinc/73/36/79/995733679.db2.gz NKIVOUNXJHPFFI-NXOAAHMSSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C[NH+]2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598757102 995733669 /nfs/dbraw/zinc/73/36/69/995733669.db2.gz NKIVOUNXJHPFFI-NXOAAHMSSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001598757103 995733256 /nfs/dbraw/zinc/73/32/56/995733256.db2.gz NKIVOUNXJHPFFI-QAETUUGQSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001598757103 995733251 /nfs/dbraw/zinc/73/32/51/995733251.db2.gz NKIVOUNXJHPFFI-QAETUUGQSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C[NH+]2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001598757103 995733245 /nfs/dbraw/zinc/73/32/45/995733245.db2.gz NKIVOUNXJHPFFI-QAETUUGQSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C[NH+]2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001598757103 995733239 /nfs/dbraw/zinc/73/32/39/995733239.db2.gz NKIVOUNXJHPFFI-QAETUUGQSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001598757104 995733877 /nfs/dbraw/zinc/73/38/77/995733877.db2.gz NKIVOUNXJHPFFI-QZWWFDLISA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001598757104 995733874 /nfs/dbraw/zinc/73/38/74/995733874.db2.gz NKIVOUNXJHPFFI-QZWWFDLISA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C[NH+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001598757104 995733867 /nfs/dbraw/zinc/73/38/67/995733867.db2.gz NKIVOUNXJHPFFI-QZWWFDLISA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C[NH+]2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001598757104 995733863 /nfs/dbraw/zinc/73/38/63/995733863.db2.gz NKIVOUNXJHPFFI-QZWWFDLISA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598757105 995733397 /nfs/dbraw/zinc/73/33/97/995733397.db2.gz NKIVOUNXJHPFFI-TWMKSMIVSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598757105 995733391 /nfs/dbraw/zinc/73/33/91/995733391.db2.gz NKIVOUNXJHPFFI-TWMKSMIVSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C[NH+]2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598757105 995733387 /nfs/dbraw/zinc/73/33/87/995733387.db2.gz NKIVOUNXJHPFFI-TWMKSMIVSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C[NH+]2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598757105 995733380 /nfs/dbraw/zinc/73/33/80/995733380.db2.gz NKIVOUNXJHPFFI-TWMKSMIVSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C(=O)[O-] ZINC001598817272 996283780 /nfs/dbraw/zinc/28/37/80/996283780.db2.gz FXSPRUQVSMGRKN-QLFBSQMISA-N 1 2 390.440 -0.076 20 0 GBADLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C(=O)[O-] ZINC001598817272 996283776 /nfs/dbraw/zinc/28/37/76/996283776.db2.gz FXSPRUQVSMGRKN-QLFBSQMISA-N 1 2 390.440 -0.076 20 0 GBADLO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C(=O)[O-] ZINC001598817273 996283729 /nfs/dbraw/zinc/28/37/29/996283729.db2.gz FXSPRUQVSMGRKN-RBSFLKMASA-N 1 2 390.440 -0.076 20 0 GBADLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C(=O)[O-] ZINC001598817273 996283723 /nfs/dbraw/zinc/28/37/23/996283723.db2.gz FXSPRUQVSMGRKN-RBSFLKMASA-N 1 2 390.440 -0.076 20 0 GBADLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C(=O)[O-] ZINC001598817274 996283697 /nfs/dbraw/zinc/28/36/97/996283697.db2.gz FXSPRUQVSMGRKN-RRFJBIMHSA-N 1 2 390.440 -0.076 20 0 GBADLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C(=O)[O-] ZINC001598817274 996283691 /nfs/dbraw/zinc/28/36/91/996283691.db2.gz FXSPRUQVSMGRKN-RRFJBIMHSA-N 1 2 390.440 -0.076 20 0 GBADLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C(=O)[O-] ZINC001598817275 996283861 /nfs/dbraw/zinc/28/38/61/996283861.db2.gz FXSPRUQVSMGRKN-SOUVJXGZSA-N 1 2 390.440 -0.076 20 0 GBADLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C(=O)[O-] ZINC001598817275 996283858 /nfs/dbraw/zinc/28/38/58/996283858.db2.gz FXSPRUQVSMGRKN-SOUVJXGZSA-N 1 2 390.440 -0.076 20 0 GBADLO COC(=O)[C@H]1C[C@@H](O)C[NH+]1Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598906381 997271935 /nfs/dbraw/zinc/27/19/35/997271935.db2.gz NKIVOUNXJHPFFI-QBPKDAKJSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@H]1C[C@@H](O)C[NH+]1Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598906381 997271928 /nfs/dbraw/zinc/27/19/28/997271928.db2.gz NKIVOUNXJHPFFI-QBPKDAKJSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C[NH+]2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598906381 997271919 /nfs/dbraw/zinc/27/19/19/997271919.db2.gz NKIVOUNXJHPFFI-QBPKDAKJSA-N 1 2 378.425 -0.185 20 0 GBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C[NH+]2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001598906381 997271907 /nfs/dbraw/zinc/27/19/07/997271907.db2.gz NKIVOUNXJHPFFI-QBPKDAKJSA-N 1 2 378.425 -0.185 20 0 GBADLO CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001599067598 999308994 /nfs/dbraw/zinc/30/89/94/999308994.db2.gz FDCHEFUUEFNFQR-GOSISDBHSA-N 1 2 384.477 -0.827 20 0 GBADLO CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001599067598 999308990 /nfs/dbraw/zinc/30/89/90/999308990.db2.gz FDCHEFUUEFNFQR-GOSISDBHSA-N 1 2 384.477 -0.827 20 0 GBADLO CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001599067600 999308734 /nfs/dbraw/zinc/30/87/34/999308734.db2.gz FDCHEFUUEFNFQR-SFHVURJKSA-N 1 2 384.477 -0.827 20 0 GBADLO CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001599067600 999308732 /nfs/dbraw/zinc/30/87/32/999308732.db2.gz FDCHEFUUEFNFQR-SFHVURJKSA-N 1 2 384.477 -0.827 20 0 GBADLO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599835322 988732221 /nfs/dbraw/zinc/73/22/21/988732221.db2.gz BHCYPXOCXHCJAR-LPHOPBHVSA-N 1 2 399.536 -0.171 20 0 GBADLO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599835333 988733574 /nfs/dbraw/zinc/73/35/74/988733574.db2.gz BHCYPXOCXHCJAR-QFBILLFUSA-N 1 2 399.536 -0.171 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C(=O)[O-] ZINC001599848250 988970175 /nfs/dbraw/zinc/97/01/75/988970175.db2.gz WUTPKXAJIRPZJW-FVQBIDKESA-N 1 2 380.489 -0.208 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C(=O)[O-] ZINC001599848250 988970163 /nfs/dbraw/zinc/97/01/63/988970163.db2.gz WUTPKXAJIRPZJW-FVQBIDKESA-N 1 2 380.489 -0.208 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C(=O)[O-] ZINC001599848251 988970016 /nfs/dbraw/zinc/97/00/16/988970016.db2.gz WUTPKXAJIRPZJW-VNQPRFMTSA-N 1 2 380.489 -0.208 20 0 GBADLO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C(=O)[O-] ZINC001599848251 988970015 /nfs/dbraw/zinc/97/00/15/988970015.db2.gz WUTPKXAJIRPZJW-VNQPRFMTSA-N 1 2 380.489 -0.208 20 0 GBADLO C[C@H](NC(=O)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC001599895964 984752864 /nfs/dbraw/zinc/75/28/64/984752864.db2.gz LEIWDWJHPWLRLJ-KCQAQPDRSA-N 1 2 383.493 -0.226 20 0 GBADLO C[C@H](NC(=O)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC001599895964 984752862 /nfs/dbraw/zinc/75/28/62/984752862.db2.gz LEIWDWJHPWLRLJ-KCQAQPDRSA-N 1 2 383.493 -0.226 20 0 GBADLO C[C@H](NC(=O)[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC001599895965 984753018 /nfs/dbraw/zinc/75/30/18/984753018.db2.gz LEIWDWJHPWLRLJ-YDHLFZDLSA-N 1 2 383.493 -0.226 20 0 GBADLO C[C@H](NC(=O)[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC001599895965 984753016 /nfs/dbraw/zinc/75/30/16/984753016.db2.gz LEIWDWJHPWLRLJ-YDHLFZDLSA-N 1 2 383.493 -0.226 20 0 GBADLO C[C@H](NC(=O)[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[O-] ZINC001599896513 984759162 /nfs/dbraw/zinc/75/91/62/984759162.db2.gz KODKHRNVKUQRSP-STQMWFEESA-N 1 2 383.493 -0.178 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[C@H]1C(=O)[O-] ZINC001599910646 984980718 /nfs/dbraw/zinc/98/07/18/984980718.db2.gz CGCMMLMWJRRSDB-OFQRWUPVSA-N 1 2 380.489 -0.160 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[C@H]1C(=O)[O-] ZINC001599910646 984980714 /nfs/dbraw/zinc/98/07/14/984980714.db2.gz CGCMMLMWJRRSDB-OFQRWUPVSA-N 1 2 380.489 -0.160 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[C@H]1C(=O)[O-] ZINC001599910647 984980685 /nfs/dbraw/zinc/98/06/85/984980685.db2.gz CGCMMLMWJRRSDB-SQWLQELKSA-N 1 2 380.489 -0.160 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[C@H]1C(=O)[O-] ZINC001599910647 984980681 /nfs/dbraw/zinc/98/06/81/984980681.db2.gz CGCMMLMWJRRSDB-SQWLQELKSA-N 1 2 380.489 -0.160 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@]1(C)C(=O)[O-] ZINC001599911245 984987462 /nfs/dbraw/zinc/98/74/62/984987462.db2.gz WRPWOFQZKYIRSR-KSMMKXTCSA-N 1 2 380.489 -0.160 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@]1(C)C(=O)[O-] ZINC001599911245 984987458 /nfs/dbraw/zinc/98/74/58/984987458.db2.gz WRPWOFQZKYIRSR-KSMMKXTCSA-N 1 2 380.489 -0.160 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@]1(C)C(=O)[O-] ZINC001599911246 984987655 /nfs/dbraw/zinc/98/76/55/984987655.db2.gz WRPWOFQZKYIRSR-NJSLBKSFSA-N 1 2 380.489 -0.160 20 0 GBADLO C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@]1(C)C(=O)[O-] ZINC001599911246 984987651 /nfs/dbraw/zinc/98/76/51/984987651.db2.gz WRPWOFQZKYIRSR-NJSLBKSFSA-N 1 2 380.489 -0.160 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001604201511 972656496 /nfs/dbraw/zinc/65/64/96/972656496.db2.gz VMXRSOVUFHCTCC-GOSISDBHSA-N 1 2 384.477 -0.550 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001604201511 972656485 /nfs/dbraw/zinc/65/64/85/972656485.db2.gz VMXRSOVUFHCTCC-GOSISDBHSA-N 1 2 384.477 -0.550 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001604201512 972656660 /nfs/dbraw/zinc/65/66/60/972656660.db2.gz VMXRSOVUFHCTCC-SFHVURJKSA-N 1 2 384.477 -0.550 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001604201512 972656651 /nfs/dbraw/zinc/65/66/51/972656651.db2.gz VMXRSOVUFHCTCC-SFHVURJKSA-N 1 2 384.477 -0.550 20 0 GBADLO O=C([O-])C[NH+]1CCC(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC001606240946 973516745 /nfs/dbraw/zinc/51/67/45/973516745.db2.gz XHQPNWAZDXFHPR-UHFFFAOYSA-N 1 2 380.449 -0.114 20 0 GBADLO NS(=O)(=O)c1nc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)n2ccccc12 ZINC001628693116 1070790914 /nfs/dbraw/zinc/79/09/14/1070790914.db2.gz UVXDUTYXPJLUJN-GFCCVEGCSA-N 1 2 379.442 -0.472 20 0 GBADLO NS(=O)(=O)c1nc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)n2ccccc12 ZINC001628693117 1070790359 /nfs/dbraw/zinc/79/03/59/1070790359.db2.gz UVXDUTYXPJLUJN-LBPRGKRZSA-N 1 2 379.442 -0.472 20 0 GBADLO CS(=O)(=O)c1ccc(NCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC001628694681 1070790782 /nfs/dbraw/zinc/79/07/82/1070790782.db2.gz ZZEQEYDIVUDYAY-UHFFFAOYSA-N 1 2 392.485 -0.062 20 0 GBADLO O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001628742578 1070792326 /nfs/dbraw/zinc/79/23/26/1070792326.db2.gz SETRVWYYLWWVOU-AHXJXLJNSA-N 1 2 380.445 -0.639 20 0 GBADLO O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001628742581 1070791936 /nfs/dbraw/zinc/79/19/36/1070791936.db2.gz SETRVWYYLWWVOU-MOROJQBDSA-N 1 2 380.445 -0.639 20 0 GBADLO O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001628742582 1070791744 /nfs/dbraw/zinc/79/17/44/1070791744.db2.gz SETRVWYYLWWVOU-ZUMXRPEOSA-N 1 2 380.445 -0.639 20 0 GBADLO O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001628742583 1070792496 /nfs/dbraw/zinc/79/24/96/1070792496.db2.gz SETRVWYYLWWVOU-ZXTQRBJTSA-N 1 2 380.445 -0.639 20 0 GBADLO CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)c(N)c1 ZINC001628859678 1070796804 /nfs/dbraw/zinc/79/68/04/1070796804.db2.gz FJSWNNGEPIEEJY-AWEZNQCLSA-N 1 2 396.513 -0.191 20 0 GBADLO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(N)c1 ZINC001628859679 1070796358 /nfs/dbraw/zinc/79/63/58/1070796358.db2.gz FJSWNNGEPIEEJY-CQSZACIVSA-N 1 2 396.513 -0.191 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(OCC(N)=O)CC1 ZINC001628918653 1070797310 /nfs/dbraw/zinc/79/73/10/1070797310.db2.gz QNWFLDGKVODSSW-HNNXBMFYSA-N 1 2 379.461 -0.024 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(OCC(N)=O)CC1 ZINC001628918653 1070797298 /nfs/dbraw/zinc/79/72/98/1070797298.db2.gz QNWFLDGKVODSSW-HNNXBMFYSA-N 1 2 379.461 -0.024 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(OCC(N)=O)CC1 ZINC001628918654 1070796439 /nfs/dbraw/zinc/79/64/39/1070796439.db2.gz QNWFLDGKVODSSW-OAHLLOKOSA-N 1 2 379.461 -0.024 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(OCC(N)=O)CC1 ZINC001628918654 1070796418 /nfs/dbraw/zinc/79/64/18/1070796418.db2.gz QNWFLDGKVODSSW-OAHLLOKOSA-N 1 2 379.461 -0.024 20 0 GBADLO NC(=O)c1cn(CCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(=O)[nH]c1=O ZINC001628958739 1070798344 /nfs/dbraw/zinc/79/83/44/1070798344.db2.gz MOHCYJLTXANGSS-UHFFFAOYSA-N 1 2 391.453 -0.156 20 0 GBADLO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CCc1nn[nH]n1 ZINC001628968816 1070799119 /nfs/dbraw/zinc/79/91/19/1070799119.db2.gz ZJUFRSGGJOQALA-UHFFFAOYSA-N 1 2 385.428 -0.181 20 0 GBADLO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CCc1nn[nH]n1 ZINC001628968816 1070799098 /nfs/dbraw/zinc/79/90/98/1070799098.db2.gz ZJUFRSGGJOQALA-UHFFFAOYSA-N 1 2 385.428 -0.181 20 0 GBADLO NS(=O)(=O)c1nc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n2ccccc12 ZINC001629044350 1070802614 /nfs/dbraw/zinc/80/26/14/1070802614.db2.gz DAXICWZUCWBBPI-CYBMUJFWSA-N 1 2 393.469 -0.082 20 0 GBADLO NS(=O)(=O)c1nc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n2ccccc12 ZINC001629044351 1070802884 /nfs/dbraw/zinc/80/28/84/1070802884.db2.gz DAXICWZUCWBBPI-ZDUSSCGKSA-N 1 2 393.469 -0.082 20 0 GBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2nnc(C3CCOCC3)[nH]2)CC1 ZINC001629104422 1070802486 /nfs/dbraw/zinc/80/24/86/1070802486.db2.gz YSZVLLGIQBEBEL-UHFFFAOYSA-N 1 2 378.477 -0.088 20 0 GBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2nnc(C3CCOCC3)[nH]2)CC1 ZINC001629104422 1070802462 /nfs/dbraw/zinc/80/24/62/1070802462.db2.gz YSZVLLGIQBEBEL-UHFFFAOYSA-N 1 2 378.477 -0.088 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cccc3nc(CO)[nH]c32)CC1=O ZINC001629136785 1070803676 /nfs/dbraw/zinc/80/36/76/1070803676.db2.gz MDNGAGAZPJRWQP-CYBMUJFWSA-N 1 2 389.456 -0.036 20 0 GBADLO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cccc3nc(CO)[nH]c32)CC1=O ZINC001629136785 1070803650 /nfs/dbraw/zinc/80/36/50/1070803650.db2.gz MDNGAGAZPJRWQP-CYBMUJFWSA-N 1 2 389.456 -0.036 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cccc3nc(CO)[nH]c32)CC1=O ZINC001629136786 1070805313 /nfs/dbraw/zinc/80/53/13/1070805313.db2.gz MDNGAGAZPJRWQP-ZDUSSCGKSA-N 1 2 389.456 -0.036 20 0 GBADLO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cccc3nc(CO)[nH]c32)CC1=O ZINC001629136786 1070805302 /nfs/dbraw/zinc/80/53/02/1070805302.db2.gz MDNGAGAZPJRWQP-ZDUSSCGKSA-N 1 2 389.456 -0.036 20 0 GBADLO NS(=O)(=O)C1CN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC001629205690 1070808573 /nfs/dbraw/zinc/80/85/73/1070808573.db2.gz JORBAUUIVGIXPP-UHFFFAOYSA-N 1 2 395.485 -0.228 20 0 GBADLO COC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC001629251777 1070808072 /nfs/dbraw/zinc/80/80/72/1070808072.db2.gz MDNCTYNBBGFARG-HNNXBMFYSA-N 1 2 390.440 -0.335 20 0 GBADLO COC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC001629251778 1070809483 /nfs/dbraw/zinc/80/94/83/1070809483.db2.gz MDNCTYNBBGFARG-OAHLLOKOSA-N 1 2 390.440 -0.335 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001629292418 1070811031 /nfs/dbraw/zinc/81/10/31/1070811031.db2.gz MKJQCOWDTACKSJ-CYBMUJFWSA-N 1 2 390.444 -0.316 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001629292418 1070811003 /nfs/dbraw/zinc/81/10/03/1070811003.db2.gz MKJQCOWDTACKSJ-CYBMUJFWSA-N 1 2 390.444 -0.316 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001629292420 1070810612 /nfs/dbraw/zinc/81/06/12/1070810612.db2.gz MKJQCOWDTACKSJ-ZDUSSCGKSA-N 1 2 390.444 -0.316 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001629292420 1070810593 /nfs/dbraw/zinc/81/05/93/1070810593.db2.gz MKJQCOWDTACKSJ-ZDUSSCGKSA-N 1 2 390.444 -0.316 20 0 GBADLO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC001629334255 1070813291 /nfs/dbraw/zinc/81/32/91/1070813291.db2.gz UBWRTPKGYFKFHW-UHFFFAOYSA-N 1 2 398.466 -0.352 20 0 GBADLO Cn1cc([C@@H]2[C@@H](C(=O)NCCc3cn4c([nH+]3)CCCC4)[C@@H](O)C(=O)N2C)cn1 ZINC001629343046 1070813880 /nfs/dbraw/zinc/81/38/80/1070813880.db2.gz PTDSOHYESCUOMH-BRWVUGGUSA-N 1 2 386.456 -0.198 20 0 GBADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001629376116 1070813438 /nfs/dbraw/zinc/81/34/38/1070813438.db2.gz BZPDJUFQEHDACI-GOSISDBHSA-N 1 2 397.497 -0.132 20 0 GBADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001629376117 1070815567 /nfs/dbraw/zinc/81/55/67/1070815567.db2.gz BZPDJUFQEHDACI-SFHVURJKSA-N 1 2 397.497 -0.132 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001629467262 1070817651 /nfs/dbraw/zinc/81/76/51/1070817651.db2.gz XXHPCKQYTJNCCI-KBPBESRZSA-N 1 2 378.516 -0.098 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@H]1C=CS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001629467263 1070818440 /nfs/dbraw/zinc/81/84/40/1070818440.db2.gz XXHPCKQYTJNCCI-KGLIPLIRSA-N 1 2 378.516 -0.098 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001629467264 1070819122 /nfs/dbraw/zinc/81/91/22/1070819122.db2.gz XXHPCKQYTJNCCI-UONOGXRCSA-N 1 2 378.516 -0.098 20 0 GBADLO C[NH+](C)CCCN(C(=O)C[C@H]1C=CS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001629467265 1070818168 /nfs/dbraw/zinc/81/81/68/1070818168.db2.gz XXHPCKQYTJNCCI-ZIAGYGMSSA-N 1 2 378.516 -0.098 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001629522096 1070821884 /nfs/dbraw/zinc/82/18/84/1070821884.db2.gz KJOGQMUOBGFIDZ-AWEZNQCLSA-N 1 2 387.477 -0.490 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001629522097 1070822113 /nfs/dbraw/zinc/82/21/13/1070822113.db2.gz KJOGQMUOBGFIDZ-CQSZACIVSA-N 1 2 387.477 -0.490 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC001629522841 1070821972 /nfs/dbraw/zinc/82/19/72/1070821972.db2.gz RMRXYZGTRMTFSH-BBRMVZONSA-N 1 2 390.440 -0.721 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC001629522843 1070822645 /nfs/dbraw/zinc/82/26/45/1070822645.db2.gz RMRXYZGTRMTFSH-CJNGLKHVSA-N 1 2 390.440 -0.721 20 0 GBADLO Cc1oc(S(N)(=O)=O)cc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001629531044 1070822591 /nfs/dbraw/zinc/82/25/91/1070822591.db2.gz QGNIRCVXOUJGKA-UHFFFAOYSA-N 1 2 387.458 -0.153 20 0 GBADLO C[C@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)[NH+]1CCN(C)CC1 ZINC001629573193 1070824984 /nfs/dbraw/zinc/82/49/84/1070824984.db2.gz GSTVAUJJHULUAD-LLVKDONJSA-N 1 2 375.520 -0.169 20 0 GBADLO C[C@@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)[NH+]1CCN(C)CC1 ZINC001629573194 1070826403 /nfs/dbraw/zinc/82/64/03/1070826403.db2.gz GSTVAUJJHULUAD-NSHDSACASA-N 1 2 375.520 -0.169 20 0 GBADLO CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CC[NH+](CCO)CC2)C1 ZINC001629648388 1070831695 /nfs/dbraw/zinc/83/16/95/1070831695.db2.gz NUUBROXOLVKNFC-UHFFFAOYSA-N 1 2 380.449 -0.180 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001629657763 1070830554 /nfs/dbraw/zinc/83/05/54/1070830554.db2.gz OMQQAQKJPDBHCB-IBGZPJMESA-N 1 2 393.488 -0.027 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001629657763 1070830525 /nfs/dbraw/zinc/83/05/25/1070830525.db2.gz OMQQAQKJPDBHCB-IBGZPJMESA-N 1 2 393.488 -0.027 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001629657764 1070830292 /nfs/dbraw/zinc/83/02/92/1070830292.db2.gz OMQQAQKJPDBHCB-LJQANCHMSA-N 1 2 393.488 -0.027 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1nnc(C2CCOCC2)[nH]1 ZINC001629657764 1070830262 /nfs/dbraw/zinc/83/02/62/1070830262.db2.gz OMQQAQKJPDBHCB-LJQANCHMSA-N 1 2 393.488 -0.027 20 0 GBADLO COc1cc(C(N)=O)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001629797906 1070838612 /nfs/dbraw/zinc/83/86/12/1070838612.db2.gz BKXFDYAYWYLKQG-AWEZNQCLSA-N 1 2 390.440 -0.087 20 0 GBADLO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001629797907 1070838260 /nfs/dbraw/zinc/83/82/60/1070838260.db2.gz BKXFDYAYWYLKQG-CQSZACIVSA-N 1 2 390.440 -0.087 20 0 GBADLO O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001629807467 1070838556 /nfs/dbraw/zinc/83/85/56/1070838556.db2.gz BPNRGQAZEZKXCI-GUTXKFCHSA-N 1 2 375.416 -0.168 20 0 GBADLO O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001629807468 1070838924 /nfs/dbraw/zinc/83/89/24/1070838924.db2.gz BPNRGQAZEZKXCI-NFAWXSAZSA-N 1 2 375.416 -0.168 20 0 GBADLO O=C(N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1(CO)CCOCC1 ZINC001629809734 1070837442 /nfs/dbraw/zinc/83/74/42/1070837442.db2.gz CMMLQMNSLKPNTN-UHFFFAOYSA-N 1 2 391.472 -0.249 20 0 GBADLO O=C(N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1(CO)CCOCC1 ZINC001629809734 1070837408 /nfs/dbraw/zinc/83/74/08/1070837408.db2.gz CMMLQMNSLKPNTN-UHFFFAOYSA-N 1 2 391.472 -0.249 20 0 GBADLO Cc1[nH]c(=O)ccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001629828892 1070838037 /nfs/dbraw/zinc/83/80/37/1070838037.db2.gz BUSDBMBSXPQCNK-UHFFFAOYSA-N 1 2 383.474 -0.654 20 0 GBADLO CCc1nc(C)ncc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001629829923 1070839158 /nfs/dbraw/zinc/83/91/58/1070839158.db2.gz QJZSXTNLZDAPCY-UHFFFAOYSA-N 1 2 396.517 -0.403 20 0 GBADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(N)cc1F ZINC001629830288 1070837232 /nfs/dbraw/zinc/83/72/32/1070837232.db2.gz SRKRWKAJTMJDTN-UHFFFAOYSA-N 1 2 399.492 -0.034 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc2[nH]c(CO)nc21 ZINC001629835104 1070837913 /nfs/dbraw/zinc/83/79/13/1070837913.db2.gz AJBMZIFCMWZOQI-CYBMUJFWSA-N 1 2 387.440 -0.282 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc2[nH]c(CO)nc21 ZINC001629835105 1070841157 /nfs/dbraw/zinc/84/11/57/1070841157.db2.gz AJBMZIFCMWZOQI-ZDUSSCGKSA-N 1 2 387.440 -0.282 20 0 GBADLO O=C(Cn1nnnc1-c1ccccc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001629835230 1070839450 /nfs/dbraw/zinc/83/94/50/1070839450.db2.gz CRMZKQZTMWKODU-INIZCTEOSA-N 1 2 399.455 -0.611 20 0 GBADLO O=C(Cn1nnnc1-c1ccccc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001629835231 1070839706 /nfs/dbraw/zinc/83/97/06/1070839706.db2.gz CRMZKQZTMWKODU-MRXNPFEDSA-N 1 2 399.455 -0.611 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1coc2c1C(=O)NCCC2 ZINC001629835305 1070839769 /nfs/dbraw/zinc/83/97/69/1070839769.db2.gz DUTZTKLSRSEBLN-CYBMUJFWSA-N 1 2 390.440 -0.382 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1coc2c1C(=O)NCCC2 ZINC001629835306 1070840653 /nfs/dbraw/zinc/84/06/53/1070840653.db2.gz DUTZTKLSRSEBLN-ZDUSSCGKSA-N 1 2 390.440 -0.382 20 0 GBADLO CCCOc1ccnc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC001629835837 1070840719 /nfs/dbraw/zinc/84/07/19/1070840719.db2.gz PQWSKROIOPWORI-HNNXBMFYSA-N 1 2 391.472 -0.143 20 0 GBADLO CCCOc1ccnc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC001629835838 1070840968 /nfs/dbraw/zinc/84/09/68/1070840968.db2.gz PQWSKROIOPWORI-OAHLLOKOSA-N 1 2 391.472 -0.143 20 0 GBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001629841904 1070840882 /nfs/dbraw/zinc/84/08/82/1070840882.db2.gz UZYJCRLIHHYWMS-KBPBESRZSA-N 1 2 397.501 -0.964 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001629841904 1070840859 /nfs/dbraw/zinc/84/08/59/1070840859.db2.gz UZYJCRLIHHYWMS-KBPBESRZSA-N 1 2 397.501 -0.964 20 0 GBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001629841905 1070839950 /nfs/dbraw/zinc/83/99/50/1070839950.db2.gz UZYJCRLIHHYWMS-KGLIPLIRSA-N 1 2 397.501 -0.964 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001629841905 1070839919 /nfs/dbraw/zinc/83/99/19/1070839919.db2.gz UZYJCRLIHHYWMS-KGLIPLIRSA-N 1 2 397.501 -0.964 20 0 GBADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001629841906 1070839645 /nfs/dbraw/zinc/83/96/45/1070839645.db2.gz UZYJCRLIHHYWMS-UONOGXRCSA-N 1 2 397.501 -0.964 20 0 GBADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001629841906 1070839613 /nfs/dbraw/zinc/83/96/13/1070839613.db2.gz UZYJCRLIHHYWMS-UONOGXRCSA-N 1 2 397.501 -0.964 20 0 GBADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001629841907 1070841478 /nfs/dbraw/zinc/84/14/78/1070841478.db2.gz UZYJCRLIHHYWMS-ZIAGYGMSSA-N 1 2 397.501 -0.964 20 0 GBADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001629841907 1070841456 /nfs/dbraw/zinc/84/14/56/1070841456.db2.gz UZYJCRLIHHYWMS-ZIAGYGMSSA-N 1 2 397.501 -0.964 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC001629868954 1070842954 /nfs/dbraw/zinc/84/29/54/1070842954.db2.gz OOMNEYYUEPFTLG-UHFFFAOYSA-N 1 2 389.518 -0.616 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)oc2C)CC1 ZINC001629874402 1070842170 /nfs/dbraw/zinc/84/21/70/1070842170.db2.gz VSUQZJVVFQEYEF-UHFFFAOYSA-N 1 2 375.447 -0.345 20 0 GBADLO CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001629895914 1070846363 /nfs/dbraw/zinc/84/63/63/1070846363.db2.gz JTHFYHDKQJAKDB-AWEZNQCLSA-N 1 2 382.465 -0.302 20 0 GBADLO CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001629895916 1070845943 /nfs/dbraw/zinc/84/59/43/1070845943.db2.gz JTHFYHDKQJAKDB-CQSZACIVSA-N 1 2 382.465 -0.302 20 0 GBADLO C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001629896524 1070846303 /nfs/dbraw/zinc/84/63/03/1070846303.db2.gz OUVFOEQSJDZFEJ-GDBMZVCRSA-N 1 2 378.477 -0.522 20 0 GBADLO C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001629896525 1070845255 /nfs/dbraw/zinc/84/52/55/1070845255.db2.gz OUVFOEQSJDZFEJ-GOEBONIOSA-N 1 2 378.477 -0.522 20 0 GBADLO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001629896526 1070845335 /nfs/dbraw/zinc/84/53/35/1070845335.db2.gz OUVFOEQSJDZFEJ-HOCLYGCPSA-N 1 2 378.477 -0.522 20 0 GBADLO C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001629896527 1070845077 /nfs/dbraw/zinc/84/50/77/1070845077.db2.gz OUVFOEQSJDZFEJ-ZBFHGGJFSA-N 1 2 378.477 -0.522 20 0 GBADLO NC(=O)[C@@H]1CC(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)=NN1c1ccccc1 ZINC001629962863 1070848614 /nfs/dbraw/zinc/84/86/14/1070848614.db2.gz MLAJPNWDHKBQJJ-INIZCTEOSA-N 1 2 387.440 -0.328 20 0 GBADLO NC(=O)[C@@H]1CC(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)=NN1c1ccccc1 ZINC001629962863 1070848591 /nfs/dbraw/zinc/84/85/91/1070848591.db2.gz MLAJPNWDHKBQJJ-INIZCTEOSA-N 1 2 387.440 -0.328 20 0 GBADLO NC(=O)[C@H]1CC(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)=NN1c1ccccc1 ZINC001629962864 1070850037 /nfs/dbraw/zinc/85/00/37/1070850037.db2.gz MLAJPNWDHKBQJJ-MRXNPFEDSA-N 1 2 387.440 -0.328 20 0 GBADLO NC(=O)[C@H]1CC(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)=NN1c1ccccc1 ZINC001629962864 1070850002 /nfs/dbraw/zinc/85/00/02/1070850002.db2.gz MLAJPNWDHKBQJJ-MRXNPFEDSA-N 1 2 387.440 -0.328 20 0 GBADLO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)cnc21 ZINC001629963468 1070850275 /nfs/dbraw/zinc/85/02/75/1070850275.db2.gz VSYITCXURKPCTJ-UHFFFAOYSA-N 1 2 375.385 -0.787 20 0 GBADLO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)cnc21 ZINC001629963468 1070850251 /nfs/dbraw/zinc/85/02/51/1070850251.db2.gz VSYITCXURKPCTJ-UHFFFAOYSA-N 1 2 375.385 -0.787 20 0 GBADLO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001629963715 1070848977 /nfs/dbraw/zinc/84/89/77/1070848977.db2.gz ZBHJEUKPLDZFOC-INIZCTEOSA-N 1 2 395.431 -0.590 20 0 GBADLO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001629963715 1070848950 /nfs/dbraw/zinc/84/89/50/1070848950.db2.gz ZBHJEUKPLDZFOC-INIZCTEOSA-N 1 2 395.431 -0.590 20 0 GBADLO C[C@@]1(C2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)NC(=O)NC1=O ZINC001629997422 1070850681 /nfs/dbraw/zinc/85/06/81/1070850681.db2.gz CZRHTIIDBBCTNI-VCBZYWHSSA-N 1 2 394.472 -0.297 20 0 GBADLO C[C@]1(C2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)NC(=O)NC1=O ZINC001629997438 1070850806 /nfs/dbraw/zinc/85/08/06/1070850806.db2.gz CZRHTIIDBBCTNI-ZRGWGRIASA-N 1 2 394.472 -0.297 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O ZINC001630027616 1070853396 /nfs/dbraw/zinc/85/33/96/1070853396.db2.gz WWXHRQNJIZDEGI-BZPMIXESSA-N 1 2 391.515 -0.387 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O ZINC001630027617 1070853601 /nfs/dbraw/zinc/85/36/01/1070853601.db2.gz WWXHRQNJIZDEGI-DYEKYZERSA-N 1 2 391.515 -0.387 20 0 GBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O ZINC001630027618 1070853782 /nfs/dbraw/zinc/85/37/82/1070853782.db2.gz WWXHRQNJIZDEGI-MBNYWOFBSA-N 1 2 391.515 -0.387 20 0 GBADLO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC001630027619 1070853739 /nfs/dbraw/zinc/85/37/39/1070853739.db2.gz WWXHRQNJIZDEGI-YRGRVCCFSA-N 1 2 391.515 -0.387 20 0 GBADLO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001630049611 1070854173 /nfs/dbraw/zinc/85/41/73/1070854173.db2.gz JWWRIOHZCZRUBO-GFCCVEGCSA-N 1 2 392.437 -0.047 20 0 GBADLO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001630049612 1070854589 /nfs/dbraw/zinc/85/45/89/1070854589.db2.gz JWWRIOHZCZRUBO-LBPRGKRZSA-N 1 2 392.437 -0.047 20 0 GBADLO O=C(CN1CCOC1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001630105045 1070857291 /nfs/dbraw/zinc/85/72/91/1070857291.db2.gz HWAWXFDYXIBBLK-UHFFFAOYSA-N 1 2 397.457 -0.898 20 0 GBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CCc2nnnn2CC1 ZINC001630198329 1070862512 /nfs/dbraw/zinc/86/25/12/1070862512.db2.gz HICJOAGHXJQKEX-BBRMVZONSA-N 1 2 381.506 -0.115 20 0 GBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCc2nnnn2CC1 ZINC001630198330 1070861690 /nfs/dbraw/zinc/86/16/90/1070861690.db2.gz HICJOAGHXJQKEX-CJNGLKHVSA-N 1 2 381.506 -0.115 20 0 GBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCc2nnnn2CC1 ZINC001630198331 1070862152 /nfs/dbraw/zinc/86/21/52/1070862152.db2.gz HICJOAGHXJQKEX-CZUORRHYSA-N 1 2 381.506 -0.115 20 0 GBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CCc2nnnn2CC1 ZINC001630198333 1070861871 /nfs/dbraw/zinc/86/18/71/1070861871.db2.gz HICJOAGHXJQKEX-XJKSGUPXSA-N 1 2 381.506 -0.115 20 0 GBADLO NS(=O)(=O)C1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC1 ZINC001630204056 1070861284 /nfs/dbraw/zinc/86/12/84/1070861284.db2.gz WWFKQUWJIDXICT-AWEZNQCLSA-N 1 2 392.547 -0.295 20 0 GBADLO NS(=O)(=O)C1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC1 ZINC001630204057 1070861372 /nfs/dbraw/zinc/86/13/72/1070861372.db2.gz WWFKQUWJIDXICT-CQSZACIVSA-N 1 2 392.547 -0.295 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cn1 ZINC001630302157 1070865039 /nfs/dbraw/zinc/86/50/39/1070865039.db2.gz YJSCHKJBSUOHNR-CVEARBPZSA-N 1 2 395.460 -0.536 20 0 GBADLO CC(C)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(O)CCOCC1 ZINC001630345442 1070866576 /nfs/dbraw/zinc/86/65/76/1070866576.db2.gz YHVBTPUASYTYEV-INIZCTEOSA-N 1 2 397.516 -0.149 20 0 GBADLO CC(C)(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(O)CCOCC1 ZINC001630345443 1070866946 /nfs/dbraw/zinc/86/69/46/1070866946.db2.gz YHVBTPUASYTYEV-MRXNPFEDSA-N 1 2 397.516 -0.149 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCOC[C@H]1O ZINC001630472972 1070872220 /nfs/dbraw/zinc/87/22/20/1070872220.db2.gz MQOIXAVJXCMVOF-HUUCEWRRSA-N 1 2 377.445 -0.431 20 0 GBADLO CNC(=O)C[C@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001630473315 1070872691 /nfs/dbraw/zinc/87/26/91/1070872691.db2.gz ZDGWPWXGHKIUOE-AWEZNQCLSA-N 1 2 376.461 -0.056 20 0 GBADLO CNC(=O)C[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001630473316 1070872528 /nfs/dbraw/zinc/87/25/28/1070872528.db2.gz ZDGWPWXGHKIUOE-CQSZACIVSA-N 1 2 376.461 -0.056 20 0 GBADLO O=C(Nc1ccc(CO)c(CO)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001630586011 1070875702 /nfs/dbraw/zinc/87/57/02/1070875702.db2.gz BLZMQTZFIRJQRU-HNNXBMFYSA-N 1 2 377.441 -0.210 20 0 GBADLO O=C(Nc1ccc(CO)c(CO)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001630586012 1070874977 /nfs/dbraw/zinc/87/49/77/1070874977.db2.gz BLZMQTZFIRJQRU-OAHLLOKOSA-N 1 2 377.441 -0.210 20 0 GBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001630598253 1070878335 /nfs/dbraw/zinc/87/83/35/1070878335.db2.gz ADNWGZKKQKWTSP-AWEZNQCLSA-N 1 2 387.444 -0.511 20 0 GBADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001630598254 1070876667 /nfs/dbraw/zinc/87/66/67/1070876667.db2.gz ADNWGZKKQKWTSP-CQSZACIVSA-N 1 2 387.444 -0.511 20 0 GBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001630598658 1070876585 /nfs/dbraw/zinc/87/65/85/1070876585.db2.gz GHOKMKBJLPFVRX-HNNXBMFYSA-N 1 2 394.453 -0.096 20 0 GBADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001630598659 1070876778 /nfs/dbraw/zinc/87/67/78/1070876778.db2.gz GHOKMKBJLPFVRX-OAHLLOKOSA-N 1 2 394.453 -0.096 20 0 GBADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001630599727 1070877009 /nfs/dbraw/zinc/87/70/09/1070877009.db2.gz RWRQUBSDHUJJAT-CHWSQXEVSA-N 1 2 393.831 -0.103 20 0 GBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001630599728 1070876718 /nfs/dbraw/zinc/87/67/18/1070876718.db2.gz RWRQUBSDHUJJAT-OLZOCXBDSA-N 1 2 393.831 -0.103 20 0 GBADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001630599729 1070876962 /nfs/dbraw/zinc/87/69/62/1070876962.db2.gz RWRQUBSDHUJJAT-QWHCGFSZSA-N 1 2 393.831 -0.103 20 0 GBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC001630599730 1070877209 /nfs/dbraw/zinc/87/72/09/1070877209.db2.gz RWRQUBSDHUJJAT-STQMWFEESA-N 1 2 393.831 -0.103 20 0 GBADLO C[N@H+]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)[C@@H](CO)C1 ZINC001630707927 1070881874 /nfs/dbraw/zinc/88/18/74/1070881874.db2.gz SADUJAZGSBLMJO-BXUZGUMPSA-N 1 2 382.848 -0.551 20 0 GBADLO C[N@@H+]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)[C@@H](CO)C1 ZINC001630707927 1070881844 /nfs/dbraw/zinc/88/18/44/1070881844.db2.gz SADUJAZGSBLMJO-BXUZGUMPSA-N 1 2 382.848 -0.551 20 0 GBADLO C[N@H+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)[C@H](CO)C1 ZINC001630707928 1070880405 /nfs/dbraw/zinc/88/04/05/1070880405.db2.gz SADUJAZGSBLMJO-FZMZJTMJSA-N 1 2 382.848 -0.551 20 0 GBADLO C[N@@H+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)[C@H](CO)C1 ZINC001630707928 1070880383 /nfs/dbraw/zinc/88/03/83/1070880383.db2.gz SADUJAZGSBLMJO-FZMZJTMJSA-N 1 2 382.848 -0.551 20 0 GBADLO C[N@H+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)[C@@H](CO)C1 ZINC001630707929 1070880566 /nfs/dbraw/zinc/88/05/66/1070880566.db2.gz SADUJAZGSBLMJO-RISCZKNCSA-N 1 2 382.848 -0.551 20 0 GBADLO C[N@@H+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)[C@@H](CO)C1 ZINC001630707929 1070880540 /nfs/dbraw/zinc/88/05/40/1070880540.db2.gz SADUJAZGSBLMJO-RISCZKNCSA-N 1 2 382.848 -0.551 20 0 GBADLO C[N@H+]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)[C@H](CO)C1 ZINC001630707930 1070881511 /nfs/dbraw/zinc/88/15/11/1070881511.db2.gz SADUJAZGSBLMJO-SMDDNHRTSA-N 1 2 382.848 -0.551 20 0 GBADLO C[N@@H+]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)[C@H](CO)C1 ZINC001630707930 1070881485 /nfs/dbraw/zinc/88/14/85/1070881485.db2.gz SADUJAZGSBLMJO-SMDDNHRTSA-N 1 2 382.848 -0.551 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001630739696 1070884284 /nfs/dbraw/zinc/88/42/84/1070884284.db2.gz KBNHIQCPALIIJV-JQHSSLGASA-N 1 2 392.456 -0.869 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001630739697 1070884681 /nfs/dbraw/zinc/88/46/81/1070884681.db2.gz KBNHIQCPALIIJV-NXHRZFHOSA-N 1 2 392.456 -0.869 20 0 GBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001630844305 1070889913 /nfs/dbraw/zinc/88/99/13/1070889913.db2.gz OYVXDGLZRCSJFR-GFCCVEGCSA-N 1 2 399.473 -0.773 20 0 GBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001630844306 1070890472 /nfs/dbraw/zinc/89/04/72/1070890472.db2.gz OYVXDGLZRCSJFR-LBPRGKRZSA-N 1 2 399.473 -0.773 20 0 GBADLO NS(=O)(=O)c1cnn(CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC001631029046 1070896015 /nfs/dbraw/zinc/89/60/15/1070896015.db2.gz JISSLGGPXQDDRU-UHFFFAOYSA-N 1 2 396.498 -0.205 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001631048423 1070895354 /nfs/dbraw/zinc/89/53/54/1070895354.db2.gz RLMLZGPMBPVYFA-AWEZNQCLSA-N 1 2 392.437 -0.266 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001631048424 1070896223 /nfs/dbraw/zinc/89/62/23/1070896223.db2.gz RLMLZGPMBPVYFA-CQSZACIVSA-N 1 2 392.437 -0.266 20 0 GBADLO NC(=O)C[NH+]1CCC(NC(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 ZINC001631115405 1070897648 /nfs/dbraw/zinc/89/76/48/1070897648.db2.gz HBJAUFAOSJFYRN-UHFFFAOYSA-N 1 2 380.879 -0.272 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC001631145501 1070899722 /nfs/dbraw/zinc/89/97/22/1070899722.db2.gz BZDWHTAYMHVZQC-GFCCVEGCSA-N 1 2 379.465 -0.048 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC001631145502 1070899612 /nfs/dbraw/zinc/89/96/12/1070899612.db2.gz BZDWHTAYMHVZQC-LBPRGKRZSA-N 1 2 379.465 -0.048 20 0 GBADLO COc1cccc(C[NH+]2CCN(C(=O)[C@H](C)NC(=O)Cn3cnnn3)CC2)c1 ZINC001631178968 1070901076 /nfs/dbraw/zinc/90/10/76/1070901076.db2.gz JNQLUSWGOQRLTO-AWEZNQCLSA-N 1 2 387.444 -0.469 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cnc3n2CCOC3)CC1 ZINC001631207240 1070902703 /nfs/dbraw/zinc/90/27/03/1070902703.db2.gz BEWMEOCXGGKPOL-UHFFFAOYSA-N 1 2 385.490 -0.279 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC001631208995 1070901911 /nfs/dbraw/zinc/90/19/11/1070901911.db2.gz QHAWNSPCJMXJKW-OCCSQVGLSA-N 1 2 391.490 -0.533 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC(OCC(N)=O)CC2)CC1 ZINC001631209023 1070902564 /nfs/dbraw/zinc/90/25/64/1070902564.db2.gz RANSABHVTHHYKC-UHFFFAOYSA-N 1 2 390.506 -0.829 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001631209322 1070902155 /nfs/dbraw/zinc/90/21/55/1070902155.db2.gz UYPINAIPISDPEX-CYBMUJFWSA-N 1 2 386.518 -0.195 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC001631209323 1070902056 /nfs/dbraw/zinc/90/20/56/1070902056.db2.gz UYPINAIPISDPEX-ZDUSSCGKSA-N 1 2 386.518 -0.195 20 0 GBADLO Cn1nnnc1C1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001631209360 1070902283 /nfs/dbraw/zinc/90/22/83/1070902283.db2.gz VWJINBAKTDMBFV-UHFFFAOYSA-N 1 2 399.521 -0.392 20 0 GBADLO O=C(CNS(=O)(=O)c1ccccc1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001631256531 1070904584 /nfs/dbraw/zinc/90/45/84/1070904584.db2.gz QQBNEOGCRREMTK-HNNXBMFYSA-N 1 2 381.454 -0.139 20 0 GBADLO O=C(CNS(=O)(=O)c1ccccc1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001631256532 1070904699 /nfs/dbraw/zinc/90/46/99/1070904699.db2.gz QQBNEOGCRREMTK-OAHLLOKOSA-N 1 2 381.454 -0.139 20 0 GBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001631261388 1070904948 /nfs/dbraw/zinc/90/49/48/1070904948.db2.gz DGFPNEOIRNWGBL-BZUAXINKSA-N 1 2 388.424 -0.147 20 0 GBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001631261389 1070904461 /nfs/dbraw/zinc/90/44/61/1070904461.db2.gz DGFPNEOIRNWGBL-OAGGEKHMSA-N 1 2 388.424 -0.147 20 0 GBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001631261390 1070904438 /nfs/dbraw/zinc/90/44/38/1070904438.db2.gz DGFPNEOIRNWGBL-OWCLPIDISA-N 1 2 388.424 -0.147 20 0 GBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001631261391 1070905939 /nfs/dbraw/zinc/90/59/39/1070905939.db2.gz DGFPNEOIRNWGBL-PMPSAXMXSA-N 1 2 388.424 -0.147 20 0 GBADLO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001631262454 1070906167 /nfs/dbraw/zinc/90/61/67/1070906167.db2.gz UTXHDUNMMFLHAA-HUUCEWRRSA-N 1 2 387.502 -0.011 20 0 GBADLO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001631262455 1070906193 /nfs/dbraw/zinc/90/61/93/1070906193.db2.gz UTXHDUNMMFLHAA-LSDHHAIUSA-N 1 2 387.502 -0.011 20 0 GBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001631262564 1070906006 /nfs/dbraw/zinc/90/60/06/1070906006.db2.gz WFLJXFJJQYUNIU-ILXRZTDVSA-N 1 2 375.429 -0.688 20 0 GBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001631262565 1070906056 /nfs/dbraw/zinc/90/60/56/1070906056.db2.gz WFLJXFJJQYUNIU-KKUMJFAQSA-N 1 2 375.429 -0.688 20 0 GBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001631262566 1070906077 /nfs/dbraw/zinc/90/60/77/1070906077.db2.gz WFLJXFJJQYUNIU-QLFBSQMISA-N 1 2 375.429 -0.688 20 0 GBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001631262567 1070905614 /nfs/dbraw/zinc/90/56/14/1070905614.db2.gz WFLJXFJJQYUNIU-SOUVJXGZSA-N 1 2 375.429 -0.688 20 0 GBADLO O=C(CN1CCCC2(CC2)S1(=O)=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001631266869 1070905988 /nfs/dbraw/zinc/90/59/88/1070905988.db2.gz GPXRKPJVFVLOAB-AWEZNQCLSA-N 1 2 385.486 -0.159 20 0 GBADLO O=C(CN1CCCC2(CC2)S1(=O)=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001631266870 1070905876 /nfs/dbraw/zinc/90/58/76/1070905876.db2.gz GPXRKPJVFVLOAB-CQSZACIVSA-N 1 2 385.486 -0.159 20 0 GBADLO O=C(N[C@@H]1COC[C@H]1O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001631273391 1070906150 /nfs/dbraw/zinc/90/61/50/1070906150.db2.gz DEDFTFVYKBPFAT-RBSFLKMASA-N 1 2 392.460 -0.659 20 0 GBADLO O=C(N[C@@H]1COC[C@H]1O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001631273391 1070906137 /nfs/dbraw/zinc/90/61/37/1070906137.db2.gz DEDFTFVYKBPFAT-RBSFLKMASA-N 1 2 392.460 -0.659 20 0 GBADLO O=C(N[C@@H]1COC[C@H]1O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001631273392 1070905750 /nfs/dbraw/zinc/90/57/50/1070905750.db2.gz DEDFTFVYKBPFAT-RRFJBIMHSA-N 1 2 392.460 -0.659 20 0 GBADLO O=C(N[C@@H]1COC[C@H]1O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001631273392 1070905740 /nfs/dbraw/zinc/90/57/40/1070905740.db2.gz DEDFTFVYKBPFAT-RRFJBIMHSA-N 1 2 392.460 -0.659 20 0 GBADLO CC(C)(C)OC(=O)C1(C(=O)NCC[N@H+]2CC[C@H](O)C2)CCS(=O)(=O)CC1 ZINC001631344425 1070907685 /nfs/dbraw/zinc/90/76/85/1070907685.db2.gz KNAMNWUCZSOKIV-ZDUSSCGKSA-N 1 2 390.502 -0.294 20 0 GBADLO CC(C)(C)OC(=O)C1(C(=O)NCC[N@@H+]2CC[C@H](O)C2)CCS(=O)(=O)CC1 ZINC001631344425 1070907681 /nfs/dbraw/zinc/90/76/81/1070907681.db2.gz KNAMNWUCZSOKIV-ZDUSSCGKSA-N 1 2 390.502 -0.294 20 0 GBADLO CN(CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)S(=O)(=O)c1cccnc1 ZINC001631437398 1070910031 /nfs/dbraw/zinc/91/00/31/1070910031.db2.gz HOHJRNMLWCAYKK-HNNXBMFYSA-N 1 2 378.458 -0.391 20 0 GBADLO CN(CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)S(=O)(=O)c1cccnc1 ZINC001631437399 1070909754 /nfs/dbraw/zinc/90/97/54/1070909754.db2.gz HOHJRNMLWCAYKK-OAHLLOKOSA-N 1 2 378.458 -0.391 20 0 GBADLO O=C(CCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)N1CCN(c2ncccn2)CC1 ZINC001631448358 1070909977 /nfs/dbraw/zinc/90/99/77/1070909977.db2.gz CMMSQQLECIUYHP-INIZCTEOSA-N 1 2 398.471 -0.198 20 0 GBADLO O=C(CCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)N1CCN(c2ncccn2)CC1 ZINC001631448359 1070909403 /nfs/dbraw/zinc/90/94/03/1070909403.db2.gz CMMSQQLECIUYHP-MRXNPFEDSA-N 1 2 398.471 -0.198 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001631448644 1070909959 /nfs/dbraw/zinc/90/99/59/1070909959.db2.gz GETBOYIXSZGYJA-BXUZGUMPSA-N 1 2 395.489 -0.400 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001631448645 1070910062 /nfs/dbraw/zinc/91/00/62/1070910062.db2.gz GETBOYIXSZGYJA-FZMZJTMJSA-N 1 2 395.489 -0.400 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001631448646 1070909996 /nfs/dbraw/zinc/90/99/96/1070909996.db2.gz GETBOYIXSZGYJA-RISCZKNCSA-N 1 2 395.489 -0.400 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001631448647 1070909513 /nfs/dbraw/zinc/90/95/13/1070909513.db2.gz GETBOYIXSZGYJA-SMDDNHRTSA-N 1 2 395.489 -0.400 20 0 GBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001631453237 1070909318 /nfs/dbraw/zinc/90/93/18/1070909318.db2.gz ZQLUXYPYLJDUOK-CYBMUJFWSA-N 1 2 389.441 -0.263 20 0 GBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001631453238 1070909623 /nfs/dbraw/zinc/90/96/23/1070909623.db2.gz ZQLUXYPYLJDUOK-ZDUSSCGKSA-N 1 2 389.441 -0.263 20 0 GBADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CCc3cc[nH+]c(N)c3C2)cn1C ZINC001631508606 1070912243 /nfs/dbraw/zinc/91/22/43/1070912243.db2.gz DXDLJSRUKZWSFB-UHFFFAOYSA-N 1 2 378.458 -0.041 20 0 GBADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001631583541 1070914283 /nfs/dbraw/zinc/91/42/83/1070914283.db2.gz WUOYPJIYYDLGIL-AWEZNQCLSA-N 1 2 391.490 -0.960 20 0 GBADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001631583541 1070914268 /nfs/dbraw/zinc/91/42/68/1070914268.db2.gz WUOYPJIYYDLGIL-AWEZNQCLSA-N 1 2 391.490 -0.960 20 0 GBADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001631583542 1070914153 /nfs/dbraw/zinc/91/41/53/1070914153.db2.gz WUOYPJIYYDLGIL-CQSZACIVSA-N 1 2 391.490 -0.960 20 0 GBADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001631583542 1070914134 /nfs/dbraw/zinc/91/41/34/1070914134.db2.gz WUOYPJIYYDLGIL-CQSZACIVSA-N 1 2 391.490 -0.960 20 0 GBADLO CC(=O)c1cn(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC001631594260 1070914802 /nfs/dbraw/zinc/91/48/02/1070914802.db2.gz UFITWJJVIVFYET-UHFFFAOYSA-N 1 2 385.428 -0.269 20 0 GBADLO CN(C)S(=O)(=O)CCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001631594422 1070913929 /nfs/dbraw/zinc/91/39/29/1070913929.db2.gz ZSUMXWQOGXYAHY-UHFFFAOYSA-N 1 2 397.501 -0.482 20 0 GBADLO COC1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CS(=O)(=O)C1 ZINC001631598712 1070914436 /nfs/dbraw/zinc/91/44/36/1070914436.db2.gz ACSLPOKMPDGRFT-UHFFFAOYSA-N 1 2 396.469 -0.950 20 0 GBADLO O=C(CS(=O)(=O)C1CC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001631598750 1070914415 /nfs/dbraw/zinc/91/44/15/1070914415.db2.gz CBDGGQFRRWHJKE-UHFFFAOYSA-N 1 2 380.470 -0.186 20 0 GBADLO CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001631632270 1070914529 /nfs/dbraw/zinc/91/45/29/1070914529.db2.gz GNPBCCZKJFWGHW-OLZOCXBDSA-N 1 2 393.506 -0.503 20 0 GBADLO CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001631632270 1070914522 /nfs/dbraw/zinc/91/45/22/1070914522.db2.gz GNPBCCZKJFWGHW-OLZOCXBDSA-N 1 2 393.506 -0.503 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)c2nc(S(N)(=O)=O)c3ccccn32)CCO1 ZINC001631733427 1070916887 /nfs/dbraw/zinc/91/68/87/1070916887.db2.gz XCRXPGQJSCEJOK-UHFFFAOYSA-N 1 2 381.458 -0.178 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)c2nc(S(N)(=O)=O)c3ccccn32)CCO1 ZINC001631733427 1070916883 /nfs/dbraw/zinc/91/68/83/1070916883.db2.gz XCRXPGQJSCEJOK-UHFFFAOYSA-N 1 2 381.458 -0.178 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001631836862 1070921171 /nfs/dbraw/zinc/92/11/71/1070921171.db2.gz ACJIMTWRSVGNKM-FASAQXTFSA-N 1 2 389.456 -0.006 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001631836862 1070921157 /nfs/dbraw/zinc/92/11/57/1070921157.db2.gz ACJIMTWRSVGNKM-FASAQXTFSA-N 1 2 389.456 -0.006 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001631836863 1070920990 /nfs/dbraw/zinc/92/09/90/1070920990.db2.gz ACJIMTWRSVGNKM-UPRAQXHNSA-N 1 2 389.456 -0.006 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001631836863 1070920981 /nfs/dbraw/zinc/92/09/81/1070920981.db2.gz ACJIMTWRSVGNKM-UPRAQXHNSA-N 1 2 389.456 -0.006 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001631836864 1070921540 /nfs/dbraw/zinc/92/15/40/1070921540.db2.gz ACJIMTWRSVGNKM-VMDGZTHMSA-N 1 2 389.456 -0.006 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001631836864 1070921527 /nfs/dbraw/zinc/92/15/27/1070921527.db2.gz ACJIMTWRSVGNKM-VMDGZTHMSA-N 1 2 389.456 -0.006 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001631836865 1070921241 /nfs/dbraw/zinc/92/12/41/1070921241.db2.gz ACJIMTWRSVGNKM-ZNOIYHFQSA-N 1 2 389.456 -0.006 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001631836865 1070921228 /nfs/dbraw/zinc/92/12/28/1070921228.db2.gz ACJIMTWRSVGNKM-ZNOIYHFQSA-N 1 2 389.456 -0.006 20 0 GBADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001631925977 1070924656 /nfs/dbraw/zinc/92/46/56/1070924656.db2.gz YKHYOAKUFPLFKA-HNNXBMFYSA-N 1 2 397.497 -0.236 20 0 GBADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001631925977 1070924647 /nfs/dbraw/zinc/92/46/47/1070924647.db2.gz YKHYOAKUFPLFKA-HNNXBMFYSA-N 1 2 397.497 -0.236 20 0 GBADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001631925978 1070925353 /nfs/dbraw/zinc/92/53/53/1070925353.db2.gz YKHYOAKUFPLFKA-OAHLLOKOSA-N 1 2 397.497 -0.236 20 0 GBADLO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001631925978 1070925343 /nfs/dbraw/zinc/92/53/43/1070925343.db2.gz YKHYOAKUFPLFKA-OAHLLOKOSA-N 1 2 397.497 -0.236 20 0 GBADLO CN1CCn2ncc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2S1(=O)=O ZINC001631985718 1070927470 /nfs/dbraw/zinc/92/74/70/1070927470.db2.gz HVVKJXPTLKYEIW-GFCCVEGCSA-N 1 2 376.442 -0.079 20 0 GBADLO CN1CCn2ncc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2S1(=O)=O ZINC001631985719 1070927151 /nfs/dbraw/zinc/92/71/51/1070927151.db2.gz HVVKJXPTLKYEIW-LBPRGKRZSA-N 1 2 376.442 -0.079 20 0 GBADLO NS(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC001632114884 1070930566 /nfs/dbraw/zinc/93/05/66/1070930566.db2.gz GBYUUIKUTIDMLB-UHFFFAOYSA-N 1 2 382.486 -0.048 20 0 GBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC001632115888 1070931141 /nfs/dbraw/zinc/93/11/41/1070931141.db2.gz WWQSMNPFKWUVSU-UHFFFAOYSA-N 1 2 393.469 -0.252 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001632263980 1070935052 /nfs/dbraw/zinc/93/50/52/1070935052.db2.gz OHLWXEOKUFIQQK-HZSPNIEDSA-N 1 2 375.429 -0.444 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001632263980 1070935045 /nfs/dbraw/zinc/93/50/45/1070935045.db2.gz OHLWXEOKUFIQQK-HZSPNIEDSA-N 1 2 375.429 -0.444 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001632263981 1070935231 /nfs/dbraw/zinc/93/52/31/1070935231.db2.gz OHLWXEOKUFIQQK-MJBXVCDLSA-N 1 2 375.429 -0.444 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001632263981 1070935215 /nfs/dbraw/zinc/93/52/15/1070935215.db2.gz OHLWXEOKUFIQQK-MJBXVCDLSA-N 1 2 375.429 -0.444 20 0 GBADLO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001632379860 1070937936 /nfs/dbraw/zinc/93/79/36/1070937936.db2.gz GEYVHFGBXQHWEU-AWEZNQCLSA-N 1 2 393.469 -0.004 20 0 GBADLO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001632379860 1070937926 /nfs/dbraw/zinc/93/79/26/1070937926.db2.gz GEYVHFGBXQHWEU-AWEZNQCLSA-N 1 2 393.469 -0.004 20 0 GBADLO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001632379861 1070937558 /nfs/dbraw/zinc/93/75/58/1070937558.db2.gz GEYVHFGBXQHWEU-CQSZACIVSA-N 1 2 393.469 -0.004 20 0 GBADLO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001632379861 1070937546 /nfs/dbraw/zinc/93/75/46/1070937546.db2.gz GEYVHFGBXQHWEU-CQSZACIVSA-N 1 2 393.469 -0.004 20 0 GBADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001632381463 1070937237 /nfs/dbraw/zinc/93/72/37/1070937237.db2.gz NPXFWABQOCWMET-AWEZNQCLSA-N 1 2 387.444 -0.469 20 0 GBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001632434034 1070940071 /nfs/dbraw/zinc/94/00/71/1070940071.db2.gz CUBFSTYHGNDGGW-DZGCQCFKSA-N 1 2 394.453 -0.387 20 0 GBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001632434035 1070939572 /nfs/dbraw/zinc/93/95/72/1070939572.db2.gz CUBFSTYHGNDGGW-HIFRSBDPSA-N 1 2 394.453 -0.387 20 0 GBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001632434036 1070939924 /nfs/dbraw/zinc/93/99/24/1070939924.db2.gz CUBFSTYHGNDGGW-UKRRQHHQSA-N 1 2 394.453 -0.387 20 0 GBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001632434037 1070940022 /nfs/dbraw/zinc/94/00/22/1070940022.db2.gz CUBFSTYHGNDGGW-ZFWWWQNUSA-N 1 2 394.453 -0.387 20 0 GBADLO Cn1ncc2c1nc(CCC(=O)NC1CC[NH+]([C@@H]3CCOC3=O)CC1)[nH]c2=O ZINC001632434056 1070939510 /nfs/dbraw/zinc/93/95/10/1070939510.db2.gz DDMGUMFANRNBAQ-CYBMUJFWSA-N 1 2 388.428 -0.102 20 0 GBADLO Cn1ncc2c1nc(CCC(=O)NC1CC[NH+]([C@H]3CCOC3=O)CC1)[nH]c2=O ZINC001632434057 1070940098 /nfs/dbraw/zinc/94/00/98/1070940098.db2.gz DDMGUMFANRNBAQ-ZDUSSCGKSA-N 1 2 388.428 -0.102 20 0 GBADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001632434216 1070939811 /nfs/dbraw/zinc/93/98/11/1070939811.db2.gz IDGUSKRUHQWFPL-CHWSQXEVSA-N 1 2 376.500 -0.197 20 0 GBADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001632434217 1070939722 /nfs/dbraw/zinc/93/97/22/1070939722.db2.gz IDGUSKRUHQWFPL-OLZOCXBDSA-N 1 2 376.500 -0.197 20 0 GBADLO O=C(CS[C@H]1CCS(=O)(=O)C1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001632434218 1070940128 /nfs/dbraw/zinc/94/01/28/1070940128.db2.gz IDGUSKRUHQWFPL-QWHCGFSZSA-N 1 2 376.500 -0.197 20 0 GBADLO O=C(CS[C@H]1CCS(=O)(=O)C1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001632434219 1070939604 /nfs/dbraw/zinc/93/96/04/1070939604.db2.gz IDGUSKRUHQWFPL-STQMWFEESA-N 1 2 376.500 -0.197 20 0 GBADLO CCS(=O)(=O)N1CCC(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)CC1 ZINC001632434447 1070939903 /nfs/dbraw/zinc/93/99/03/1070939903.db2.gz MVCKAAOIGDSUBW-HNNXBMFYSA-N 1 2 387.502 -0.056 20 0 GBADLO CCS(=O)(=O)N1CCC(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)CC1 ZINC001632434448 1070940165 /nfs/dbraw/zinc/94/01/65/1070940165.db2.gz MVCKAAOIGDSUBW-OAHLLOKOSA-N 1 2 387.502 -0.056 20 0 GBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001632439519 1070939744 /nfs/dbraw/zinc/93/97/44/1070939744.db2.gz UNGMPOPHVPUOMZ-IKGGRYGDSA-N 1 2 381.473 -0.238 20 0 GBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001632439520 1070939879 /nfs/dbraw/zinc/93/98/79/1070939879.db2.gz UNGMPOPHVPUOMZ-ZACQAIPSSA-N 1 2 381.473 -0.238 20 0 GBADLO O=C(CNC(=O)c1ncccc1O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001632545953 1070943756 /nfs/dbraw/zinc/94/37/56/1070943756.db2.gz RLJOWPKWUNFZIC-UHFFFAOYSA-N 1 2 378.429 -0.797 20 0 GBADLO COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CC2)c1 ZINC001632550753 1070943687 /nfs/dbraw/zinc/94/36/87/1070943687.db2.gz BJWLQIZCKLKVNO-INIZCTEOSA-N 1 2 395.481 -0.311 20 0 GBADLO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CCc2nn[nH]n2)cc1 ZINC001632576691 1070944884 /nfs/dbraw/zinc/94/48/84/1070944884.db2.gz CCATZHZJCJTMBX-UHFFFAOYSA-N 1 2 386.460 -0.019 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1nc(S(N)(=O)=O)c2ccccn21 ZINC001632580444 1070944856 /nfs/dbraw/zinc/94/48/56/1070944856.db2.gz FXUCDNHMAVEVEN-NEPJUHHUSA-N 1 2 381.458 -0.179 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1nc(S(N)(=O)=O)c2ccccn21 ZINC001632580444 1070944847 /nfs/dbraw/zinc/94/48/47/1070944847.db2.gz FXUCDNHMAVEVEN-NEPJUHHUSA-N 1 2 381.458 -0.179 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)c2nc(S(N)(=O)=O)c3ccccn32)[C@@H](C)CO1 ZINC001632580447 1070945249 /nfs/dbraw/zinc/94/52/49/1070945249.db2.gz FXUCDNHMAVEVEN-NWDGAFQWSA-N 1 2 381.458 -0.179 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)c2nc(S(N)(=O)=O)c3ccccn32)[C@@H](C)CO1 ZINC001632580447 1070945238 /nfs/dbraw/zinc/94/52/38/1070945238.db2.gz FXUCDNHMAVEVEN-NWDGAFQWSA-N 1 2 381.458 -0.179 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)c2nc(S(N)(=O)=O)c3ccccn32)[C@@H](C)CO1 ZINC001632580449 1070945160 /nfs/dbraw/zinc/94/51/60/1070945160.db2.gz FXUCDNHMAVEVEN-RYUDHWBXSA-N 1 2 381.458 -0.179 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)c2nc(S(N)(=O)=O)c3ccccn32)[C@@H](C)CO1 ZINC001632580449 1070945152 /nfs/dbraw/zinc/94/51/52/1070945152.db2.gz FXUCDNHMAVEVEN-RYUDHWBXSA-N 1 2 381.458 -0.179 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)c2nc(S(N)(=O)=O)c3ccccn32)[C@H](C)CO1 ZINC001632580450 1070945115 /nfs/dbraw/zinc/94/51/15/1070945115.db2.gz FXUCDNHMAVEVEN-VXGBXAGGSA-N 1 2 381.458 -0.179 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)c2nc(S(N)(=O)=O)c3ccccn32)[C@H](C)CO1 ZINC001632580450 1070945107 /nfs/dbraw/zinc/94/51/07/1070945107.db2.gz FXUCDNHMAVEVEN-VXGBXAGGSA-N 1 2 381.458 -0.179 20 0 GBADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001632651502 1070948262 /nfs/dbraw/zinc/94/82/62/1070948262.db2.gz PDMMZOASCWAING-HNNXBMFYSA-N 1 2 394.453 -0.236 20 0 GBADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001632651502 1070948254 /nfs/dbraw/zinc/94/82/54/1070948254.db2.gz PDMMZOASCWAING-HNNXBMFYSA-N 1 2 394.453 -0.236 20 0 GBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001632657786 1070947981 /nfs/dbraw/zinc/94/79/81/1070947981.db2.gz XNAMNSQUDQFGDY-AWEZNQCLSA-N 1 2 382.442 -0.644 20 0 GBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001632657786 1070947972 /nfs/dbraw/zinc/94/79/72/1070947972.db2.gz XNAMNSQUDQFGDY-AWEZNQCLSA-N 1 2 382.442 -0.644 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 ZINC001632664475 1070948214 /nfs/dbraw/zinc/94/82/14/1070948214.db2.gz NVPUQUUAGDRGQQ-UHFFFAOYSA-N 1 2 392.865 -0.137 20 0 GBADLO C[C@@]1(CCCC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)NC(=O)NC1=O ZINC001632692722 1070949197 /nfs/dbraw/zinc/94/91/97/1070949197.db2.gz JMOQAOYZBJNACA-KRWDZBQOSA-N 1 2 378.433 -0.078 20 0 GBADLO C[C@]1(CCCC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)NC(=O)NC1=O ZINC001632692723 1070949410 /nfs/dbraw/zinc/94/94/10/1070949410.db2.gz JMOQAOYZBJNACA-QGZVFWFLSA-N 1 2 378.433 -0.078 20 0 GBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)C3=NN(CCO)C(=O)CC3)CC2)cc1 ZINC001632710514 1070949239 /nfs/dbraw/zinc/94/92/39/1070949239.db2.gz AXNNDQLVYNDPEP-UHFFFAOYSA-N 1 2 387.440 -0.600 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cn(C(F)(F)CO)nn2)CC1 ZINC001632787591 1070951344 /nfs/dbraw/zinc/95/13/44/1070951344.db2.gz HXRXHUVVJZAOFD-UHFFFAOYSA-N 1 2 388.419 -0.164 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cn(C(F)(F)CO)nn2)CC1 ZINC001632787591 1070951329 /nfs/dbraw/zinc/95/13/29/1070951329.db2.gz HXRXHUVVJZAOFD-UHFFFAOYSA-N 1 2 388.419 -0.164 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001632788343 1070951044 /nfs/dbraw/zinc/95/10/44/1070951044.db2.gz SXNMJQNXPFEVLU-UHFFFAOYSA-N 1 2 381.433 -0.087 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001632788343 1070951036 /nfs/dbraw/zinc/95/10/36/1070951036.db2.gz SXNMJQNXPFEVLU-UHFFFAOYSA-N 1 2 381.433 -0.087 20 0 GBADLO Cc1cn2nnc(C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)c2c(=O)[nH]1 ZINC001632793731 1070952429 /nfs/dbraw/zinc/95/24/29/1070952429.db2.gz ZMBWKFFPAXALMI-UHFFFAOYSA-N 1 2 387.444 -0.091 20 0 GBADLO Cc1cn2nnc(C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)c2c(=O)[nH]1 ZINC001632793731 1070952416 /nfs/dbraw/zinc/95/24/16/1070952416.db2.gz ZMBWKFFPAXALMI-UHFFFAOYSA-N 1 2 387.444 -0.091 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001632827693 1070953321 /nfs/dbraw/zinc/95/33/21/1070953321.db2.gz JTEZPJPSZQRCGD-HNNXBMFYSA-N 1 2 384.502 -0.299 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001632827694 1070953635 /nfs/dbraw/zinc/95/36/35/1070953635.db2.gz JTEZPJPSZQRCGD-OAHLLOKOSA-N 1 2 384.502 -0.299 20 0 GBADLO CN(CC(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ncnc2nc[nH]c21 ZINC001632843139 1070953286 /nfs/dbraw/zinc/95/32/86/1070953286.db2.gz MNOGZCZLRMVSHA-UHFFFAOYSA-N 1 2 381.444 -0.034 20 0 GBADLO NS(=O)(=O)N1CCC(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC001632843195 1070953253 /nfs/dbraw/zinc/95/32/53/1070953253.db2.gz OHBGCYLZCGTJID-UHFFFAOYSA-N 1 2 382.490 -0.921 20 0 GBADLO Cc1nn(C)cc1C1=NO[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001632857005 1070954725 /nfs/dbraw/zinc/95/47/25/1070954725.db2.gz ADQBLKQCUZZQJG-INIZCTEOSA-N 1 2 397.501 -0.153 20 0 GBADLO Cc1nn(C)cc1C1=NO[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001632857006 1070954697 /nfs/dbraw/zinc/95/46/97/1070954697.db2.gz ADQBLKQCUZZQJG-MRXNPFEDSA-N 1 2 397.501 -0.153 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCN2C(=O)CCNC2=S)CC1 ZINC001632857026 1070954515 /nfs/dbraw/zinc/95/45/15/1070954515.db2.gz AUNBBYGQONYISU-UHFFFAOYSA-N 1 2 390.531 -0.892 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001632857079 1070954448 /nfs/dbraw/zinc/95/44/48/1070954448.db2.gz BCURKVQEWJZOOX-UHFFFAOYSA-N 1 2 379.460 -0.834 20 0 GBADLO CO[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC001632857595 1070954118 /nfs/dbraw/zinc/95/41/18/1070954118.db2.gz FSRQJWDSDRYISE-CYBMUJFWSA-N 1 2 378.491 -0.032 20 0 GBADLO CO[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC001632857596 1070954427 /nfs/dbraw/zinc/95/44/27/1070954427.db2.gz FSRQJWDSDRYISE-ZDUSSCGKSA-N 1 2 378.491 -0.032 20 0 GBADLO Cn1cc(C2=NO[C@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)cn1 ZINC001632857665 1070954182 /nfs/dbraw/zinc/95/41/82/1070954182.db2.gz HSOCOZQHDLCVJK-HNNXBMFYSA-N 1 2 383.474 -0.462 20 0 GBADLO Cn1cc(C2=NO[C@@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)cn1 ZINC001632857686 1070954618 /nfs/dbraw/zinc/95/46/18/1070954618.db2.gz HSOCOZQHDLCVJK-OAHLLOKOSA-N 1 2 383.474 -0.462 20 0 GBADLO COC(=O)[C@@H]1O[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H]1C ZINC001632858284 1070954375 /nfs/dbraw/zinc/95/43/75/1070954375.db2.gz MRKZBNNHUYGIMI-MRVWCRGKSA-N 1 2 376.475 -0.422 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC001632858322 1070955195 /nfs/dbraw/zinc/95/51/95/1070955195.db2.gz OUSUQYRNUUPSLR-CYBMUJFWSA-N 1 2 383.461 -0.423 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC001632858323 1070954408 /nfs/dbraw/zinc/95/44/08/1070954408.db2.gz OUSUQYRNUUPSLR-ZDUSSCGKSA-N 1 2 383.461 -0.423 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(N3CCOCC3)ncn2)CC1 ZINC001632858383 1070955354 /nfs/dbraw/zinc/95/53/54/1070955354.db2.gz QDMOHKPDWNXROE-UHFFFAOYSA-N 1 2 397.501 -0.448 20 0 GBADLO CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001632880488 1070957137 /nfs/dbraw/zinc/95/71/37/1070957137.db2.gz RBEANHSVBMKIET-JCGVRSQUSA-N 1 2 384.477 -0.187 20 0 GBADLO CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001632880488 1070957121 /nfs/dbraw/zinc/95/71/21/1070957121.db2.gz RBEANHSVBMKIET-JCGVRSQUSA-N 1 2 384.477 -0.187 20 0 GBADLO CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001632880489 1070957063 /nfs/dbraw/zinc/95/70/63/1070957063.db2.gz RBEANHSVBMKIET-SNUQEOBHSA-N 1 2 384.477 -0.187 20 0 GBADLO CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001632880489 1070957055 /nfs/dbraw/zinc/95/70/55/1070957055.db2.gz RBEANHSVBMKIET-SNUQEOBHSA-N 1 2 384.477 -0.187 20 0 GBADLO CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001632880490 1070957367 /nfs/dbraw/zinc/95/73/67/1070957367.db2.gz RBEANHSVBMKIET-VEVIJQCQSA-N 1 2 384.477 -0.187 20 0 GBADLO CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001632880490 1070957355 /nfs/dbraw/zinc/95/73/55/1070957355.db2.gz RBEANHSVBMKIET-VEVIJQCQSA-N 1 2 384.477 -0.187 20 0 GBADLO CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001632880491 1070957272 /nfs/dbraw/zinc/95/72/72/1070957272.db2.gz RBEANHSVBMKIET-VFVRVIDISA-N 1 2 384.477 -0.187 20 0 GBADLO CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001632880491 1070957259 /nfs/dbraw/zinc/95/72/59/1070957259.db2.gz RBEANHSVBMKIET-VFVRVIDISA-N 1 2 384.477 -0.187 20 0 GBADLO COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001632885610 1070957015 /nfs/dbraw/zinc/95/70/15/1070957015.db2.gz HNZQDSFCFFGEIW-CABCVRRESA-N 1 2 390.440 -0.355 20 0 GBADLO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001632963618 1070960038 /nfs/dbraw/zinc/96/00/38/1070960038.db2.gz PYKGHTLAONUBRC-UHFFFAOYSA-N 1 2 385.428 -0.490 20 0 GBADLO Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001632963618 1070960031 /nfs/dbraw/zinc/96/00/31/1070960031.db2.gz PYKGHTLAONUBRC-UHFFFAOYSA-N 1 2 385.428 -0.490 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F ZINC001633002547 1070962772 /nfs/dbraw/zinc/96/27/72/1070962772.db2.gz UOHKYACRZWKQTI-DOMZBBRYSA-N 1 2 380.420 -0.364 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F ZINC001633002547 1070962766 /nfs/dbraw/zinc/96/27/66/1070962766.db2.gz UOHKYACRZWKQTI-DOMZBBRYSA-N 1 2 380.420 -0.364 20 0 GBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F ZINC001633002548 1070962449 /nfs/dbraw/zinc/96/24/49/1070962449.db2.gz UOHKYACRZWKQTI-IUODEOHRSA-N 1 2 380.420 -0.364 20 0 GBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F ZINC001633002548 1070962440 /nfs/dbraw/zinc/96/24/40/1070962440.db2.gz UOHKYACRZWKQTI-IUODEOHRSA-N 1 2 380.420 -0.364 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F ZINC001633002549 1070962190 /nfs/dbraw/zinc/96/21/90/1070962190.db2.gz UOHKYACRZWKQTI-SWLSCSKDSA-N 1 2 380.420 -0.364 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F ZINC001633002549 1070962180 /nfs/dbraw/zinc/96/21/80/1070962180.db2.gz UOHKYACRZWKQTI-SWLSCSKDSA-N 1 2 380.420 -0.364 20 0 GBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F ZINC001633002550 1070962658 /nfs/dbraw/zinc/96/26/58/1070962658.db2.gz UOHKYACRZWKQTI-WFASDCNBSA-N 1 2 380.420 -0.364 20 0 GBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F ZINC001633002550 1070962648 /nfs/dbraw/zinc/96/26/48/1070962648.db2.gz UOHKYACRZWKQTI-WFASDCNBSA-N 1 2 380.420 -0.364 20 0 GBADLO CN(CCCNC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)c1cccc[nH+]1 ZINC001633065511 1070965829 /nfs/dbraw/zinc/96/58/29/1070965829.db2.gz VCGHHYSBQIHUFJ-BRWVUGGUSA-N 1 2 386.456 -0.052 20 0 GBADLO CS(=O)(=O)NC1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC001633134958 1070967707 /nfs/dbraw/zinc/96/77/07/1070967707.db2.gz GPMGMUKTTQILOQ-HNNXBMFYSA-N 1 2 397.501 -0.223 20 0 GBADLO CS(=O)(=O)NC1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC001633134958 1070967697 /nfs/dbraw/zinc/96/76/97/1070967697.db2.gz GPMGMUKTTQILOQ-HNNXBMFYSA-N 1 2 397.501 -0.223 20 0 GBADLO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001633190408 1070969802 /nfs/dbraw/zinc/96/98/02/1070969802.db2.gz UNSLILUQMZJTJA-HNNXBMFYSA-N 1 2 381.454 -0.505 20 0 GBADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001633240019 1070970625 /nfs/dbraw/zinc/97/06/25/1070970625.db2.gz JFEBKLIIPBZOBJ-AXFHLTTASA-N 1 2 385.408 -0.335 20 0 GBADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001633240019 1070970615 /nfs/dbraw/zinc/97/06/15/1070970615.db2.gz JFEBKLIIPBZOBJ-AXFHLTTASA-N 1 2 385.408 -0.335 20 0 GBADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001633240020 1070970656 /nfs/dbraw/zinc/97/06/56/1070970656.db2.gz JFEBKLIIPBZOBJ-DCAQKATOSA-N 1 2 385.408 -0.335 20 0 GBADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001633240020 1070970650 /nfs/dbraw/zinc/97/06/50/1070970650.db2.gz JFEBKLIIPBZOBJ-DCAQKATOSA-N 1 2 385.408 -0.335 20 0 GBADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001633240021 1070970597 /nfs/dbraw/zinc/97/05/97/1070970597.db2.gz JFEBKLIIPBZOBJ-MXWKQRLJSA-N 1 2 385.408 -0.335 20 0 GBADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001633240021 1070970592 /nfs/dbraw/zinc/97/05/92/1070970592.db2.gz JFEBKLIIPBZOBJ-MXWKQRLJSA-N 1 2 385.408 -0.335 20 0 GBADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001633240022 1070970484 /nfs/dbraw/zinc/97/04/84/1070970484.db2.gz JFEBKLIIPBZOBJ-VWYCJHECSA-N 1 2 385.408 -0.335 20 0 GBADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001633240022 1070970476 /nfs/dbraw/zinc/97/04/76/1070970476.db2.gz JFEBKLIIPBZOBJ-VWYCJHECSA-N 1 2 385.408 -0.335 20 0 GBADLO CS(=O)(=O)CC1(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)COC1 ZINC001633256555 1070971426 /nfs/dbraw/zinc/97/14/26/1070971426.db2.gz WWVKUTUJACTLGT-UHFFFAOYSA-N 1 2 387.502 -0.620 20 0 GBADLO CS(=O)(=O)c1cccnc1C(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001633341181 1070973626 /nfs/dbraw/zinc/97/36/26/1070973626.db2.gz SCVYDKOAFNQZOC-AWEZNQCLSA-N 1 2 382.486 -0.379 20 0 GBADLO CS(=O)(=O)c1cccnc1C(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001633341182 1070973766 /nfs/dbraw/zinc/97/37/66/1070973766.db2.gz SCVYDKOAFNQZOC-CQSZACIVSA-N 1 2 382.486 -0.379 20 0 GBADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001633343268 1070973386 /nfs/dbraw/zinc/97/33/86/1070973386.db2.gz VVQJGXVFTPNABU-KBPBESRZSA-N 1 2 383.474 -0.380 20 0 GBADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001633343269 1070973654 /nfs/dbraw/zinc/97/36/54/1070973654.db2.gz VVQJGXVFTPNABU-KGLIPLIRSA-N 1 2 383.474 -0.380 20 0 GBADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001633343270 1070973869 /nfs/dbraw/zinc/97/38/69/1070973869.db2.gz VVQJGXVFTPNABU-UONOGXRCSA-N 1 2 383.474 -0.380 20 0 GBADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001633343271 1070974518 /nfs/dbraw/zinc/97/45/18/1070974518.db2.gz VVQJGXVFTPNABU-ZIAGYGMSSA-N 1 2 383.474 -0.380 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001633370105 1070974932 /nfs/dbraw/zinc/97/49/32/1070974932.db2.gz BGDRYGZRIWIDJB-LBPRGKRZSA-N 1 2 382.417 -0.294 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001633370105 1070974929 /nfs/dbraw/zinc/97/49/29/1070974929.db2.gz BGDRYGZRIWIDJB-LBPRGKRZSA-N 1 2 382.417 -0.294 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC001633370129 1070974555 /nfs/dbraw/zinc/97/45/55/1070974555.db2.gz CFFDWCPWDGXYQZ-LBPRGKRZSA-N 1 2 392.393 -0.545 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC001633370129 1070974548 /nfs/dbraw/zinc/97/45/48/1070974548.db2.gz CFFDWCPWDGXYQZ-LBPRGKRZSA-N 1 2 392.393 -0.545 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001633370547 1070974695 /nfs/dbraw/zinc/97/46/95/1070974695.db2.gz LAPTXPJSYDEZQQ-AEJSXWLSSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001633370547 1070974683 /nfs/dbraw/zinc/97/46/83/1070974683.db2.gz LAPTXPJSYDEZQQ-AEJSXWLSSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001633370548 1070974736 /nfs/dbraw/zinc/97/47/36/1070974736.db2.gz LAPTXPJSYDEZQQ-BBBLOLIVSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001633370548 1070974731 /nfs/dbraw/zinc/97/47/31/1070974731.db2.gz LAPTXPJSYDEZQQ-BBBLOLIVSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001633370549 1070974588 /nfs/dbraw/zinc/97/45/88/1070974588.db2.gz LAPTXPJSYDEZQQ-GUBZILKMSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001633370549 1070974580 /nfs/dbraw/zinc/97/45/80/1070974580.db2.gz LAPTXPJSYDEZQQ-GUBZILKMSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001633370550 1070974484 /nfs/dbraw/zinc/97/44/84/1070974484.db2.gz LAPTXPJSYDEZQQ-UTLUCORTSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001633370550 1070974480 /nfs/dbraw/zinc/97/44/80/1070974480.db2.gz LAPTXPJSYDEZQQ-UTLUCORTSA-N 1 2 383.348 -0.167 20 0 GBADLO C[C@@H]1C(=O)N(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C(=O)N1C ZINC001633409893 1070976756 /nfs/dbraw/zinc/97/67/56/1070976756.db2.gz QPRKAVQULXBUEZ-CHWSQXEVSA-N 1 2 381.433 -0.987 20 0 GBADLO C[C@@H]1C(=O)N(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C(=O)N1C ZINC001633409894 1070977081 /nfs/dbraw/zinc/97/70/81/1070977081.db2.gz QPRKAVQULXBUEZ-OLZOCXBDSA-N 1 2 381.433 -0.987 20 0 GBADLO C[C@H]1C(=O)N(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C(=O)N1C ZINC001633409895 1070977181 /nfs/dbraw/zinc/97/71/81/1070977181.db2.gz QPRKAVQULXBUEZ-QWHCGFSZSA-N 1 2 381.433 -0.987 20 0 GBADLO C[C@H]1C(=O)N(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C(=O)N1C ZINC001633409896 1070976776 /nfs/dbraw/zinc/97/67/76/1070976776.db2.gz QPRKAVQULXBUEZ-STQMWFEESA-N 1 2 381.433 -0.987 20 0 GBADLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001633460199 1070978964 /nfs/dbraw/zinc/97/89/64/1070978964.db2.gz LCGINAMDBJLAPY-AWEZNQCLSA-N 1 2 375.404 -0.151 20 0 GBADLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001633460199 1070978958 /nfs/dbraw/zinc/97/89/58/1070978958.db2.gz LCGINAMDBJLAPY-AWEZNQCLSA-N 1 2 375.404 -0.151 20 0 GBADLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001633460200 1070978802 /nfs/dbraw/zinc/97/88/02/1070978802.db2.gz LCGINAMDBJLAPY-CQSZACIVSA-N 1 2 375.404 -0.151 20 0 GBADLO CN1CC[N@H+](C)C[C@H]1CNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001633460200 1070978790 /nfs/dbraw/zinc/97/87/90/1070978790.db2.gz LCGINAMDBJLAPY-CQSZACIVSA-N 1 2 375.404 -0.151 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)O1 ZINC001633466016 1070979317 /nfs/dbraw/zinc/97/93/17/1070979317.db2.gz PPRJRJVWQFPXOD-CABCVRRESA-N 1 2 376.461 -0.472 20 0 GBADLO NS(=O)(=O)c1ccc(OCC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC001633488113 1070978869 /nfs/dbraw/zinc/97/88/69/1070978869.db2.gz BMGQZLKJAAVTRF-UHFFFAOYSA-N 1 2 385.442 -0.722 20 0 GBADLO NS(=O)(=O)c1ccc(OCC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC001633488113 1070978860 /nfs/dbraw/zinc/97/88/60/1070978860.db2.gz BMGQZLKJAAVTRF-UHFFFAOYSA-N 1 2 385.442 -0.722 20 0 GBADLO O=C(COCC(=O)NCc1cccnc1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001633488208 1070979002 /nfs/dbraw/zinc/97/90/02/1070979002.db2.gz FFDHXXYRVMHFDX-UHFFFAOYSA-N 1 2 378.429 -0.721 20 0 GBADLO O=C(COCC(=O)NCc1cccnc1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001633488208 1070978992 /nfs/dbraw/zinc/97/89/92/1070978992.db2.gz FFDHXXYRVMHFDX-UHFFFAOYSA-N 1 2 378.429 -0.721 20 0 GBADLO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC001633488926 1070979676 /nfs/dbraw/zinc/97/96/76/1070979676.db2.gz PUPXJSNBELGDKH-UHFFFAOYSA-N 1 2 386.474 -0.120 20 0 GBADLO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC001633488926 1070979663 /nfs/dbraw/zinc/97/96/63/1070979663.db2.gz PUPXJSNBELGDKH-UHFFFAOYSA-N 1 2 386.474 -0.120 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC001633523205 1070981087 /nfs/dbraw/zinc/98/10/87/1070981087.db2.gz ALCMGZAOMXQQBI-YIZWMMSDSA-N 1 2 385.490 -0.319 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC001633523205 1070981077 /nfs/dbraw/zinc/98/10/77/1070981077.db2.gz ALCMGZAOMXQQBI-YIZWMMSDSA-N 1 2 385.490 -0.319 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001633523811 1070981283 /nfs/dbraw/zinc/98/12/83/1070981283.db2.gz MSHQVBPJPWXYKJ-AWEZNQCLSA-N 1 2 384.396 -0.451 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001633523811 1070981278 /nfs/dbraw/zinc/98/12/78/1070981278.db2.gz MSHQVBPJPWXYKJ-AWEZNQCLSA-N 1 2 384.396 -0.451 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC001633523893 1070981543 /nfs/dbraw/zinc/98/15/43/1070981543.db2.gz NWLHDYXUDCFMGV-HLZQHVJHSA-N 1 2 390.444 -0.316 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC001633523893 1070981529 /nfs/dbraw/zinc/98/15/29/1070981529.db2.gz NWLHDYXUDCFMGV-HLZQHVJHSA-N 1 2 390.444 -0.316 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001633524064 1070981799 /nfs/dbraw/zinc/98/17/99/1070981799.db2.gz PBCMCKYDMBDOAB-AWEZNQCLSA-N 1 2 384.396 -0.345 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001633524064 1070981790 /nfs/dbraw/zinc/98/17/90/1070981790.db2.gz PBCMCKYDMBDOAB-AWEZNQCLSA-N 1 2 384.396 -0.345 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC001633524427 1070981761 /nfs/dbraw/zinc/98/17/61/1070981761.db2.gz SOVKYDZXECOPHZ-HNNXBMFYSA-N 1 2 393.469 -0.412 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC001633524427 1070981755 /nfs/dbraw/zinc/98/17/55/1070981755.db2.gz SOVKYDZXECOPHZ-HNNXBMFYSA-N 1 2 393.469 -0.412 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNS(=O)(=O)c1cc(C)ccc1C ZINC001633524464 1070981663 /nfs/dbraw/zinc/98/16/63/1070981663.db2.gz TXBRNKPNOJXKGL-AWEZNQCLSA-N 1 2 393.469 -0.222 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1cc(C)ccc1C ZINC001633524464 1070981658 /nfs/dbraw/zinc/98/16/58/1070981658.db2.gz TXBRNKPNOJXKGL-AWEZNQCLSA-N 1 2 393.469 -0.222 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(S(=O)(=O)N(C)OC)c1 ZINC001633524996 1070981689 /nfs/dbraw/zinc/98/16/89/1070981689.db2.gz ZWRFKXREVBZXSS-AWEZNQCLSA-N 1 2 395.441 -0.321 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(S(=O)(=O)N(C)OC)c1 ZINC001633524996 1070981687 /nfs/dbraw/zinc/98/16/87/1070981687.db2.gz ZWRFKXREVBZXSS-AWEZNQCLSA-N 1 2 395.441 -0.321 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c[nH]nc1I ZINC001633528738 1070981615 /nfs/dbraw/zinc/98/16/15/1070981615.db2.gz HKZSLZBBLOATFR-QMMMGPOBSA-N 1 2 388.169 -0.176 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c[nH]nc1I ZINC001633528738 1070981609 /nfs/dbraw/zinc/98/16/09/1070981609.db2.gz HKZSLZBBLOATFR-QMMMGPOBSA-N 1 2 388.169 -0.176 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001633528747 1070981497 /nfs/dbraw/zinc/98/14/97/1070981497.db2.gz HMFJYLLOGUMDSJ-DOMZBBRYSA-N 1 2 387.444 -0.608 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC001633528747 1070981487 /nfs/dbraw/zinc/98/14/87/1070981487.db2.gz HMFJYLLOGUMDSJ-DOMZBBRYSA-N 1 2 387.444 -0.608 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001633528759 1070982549 /nfs/dbraw/zinc/98/25/49/1070982549.db2.gz HMFJYLLOGUMDSJ-WFASDCNBSA-N 1 2 387.444 -0.608 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC001633528759 1070982544 /nfs/dbraw/zinc/98/25/44/1070982544.db2.gz HMFJYLLOGUMDSJ-WFASDCNBSA-N 1 2 387.444 -0.608 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC001633529086 1070982351 /nfs/dbraw/zinc/98/23/51/1070982351.db2.gz OIBDIOPHOJPJAD-HNAYVOBHSA-N 1 2 385.424 -0.410 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC001633529086 1070982346 /nfs/dbraw/zinc/98/23/46/1070982346.db2.gz OIBDIOPHOJPJAD-HNAYVOBHSA-N 1 2 385.424 -0.410 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC001633529087 1070982607 /nfs/dbraw/zinc/98/26/07/1070982607.db2.gz OIBDIOPHOJPJAD-KXBFYZLASA-N 1 2 385.424 -0.410 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC001633529087 1070982601 /nfs/dbraw/zinc/98/26/01/1070982601.db2.gz OIBDIOPHOJPJAD-KXBFYZLASA-N 1 2 385.424 -0.410 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001633529241 1070982451 /nfs/dbraw/zinc/98/24/51/1070982451.db2.gz PYHXVMTWZWAHCR-HNNXBMFYSA-N 1 2 393.469 -0.324 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001633529241 1070982444 /nfs/dbraw/zinc/98/24/44/1070982444.db2.gz PYHXVMTWZWAHCR-HNNXBMFYSA-N 1 2 393.469 -0.324 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC001633529387 1070982575 /nfs/dbraw/zinc/98/25/75/1070982575.db2.gz SRFRMLNCKWZKPY-FHSNZYRGSA-N 1 2 395.460 -0.057 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC001633529387 1070982573 /nfs/dbraw/zinc/98/25/73/1070982573.db2.gz SRFRMLNCKWZKPY-FHSNZYRGSA-N 1 2 395.460 -0.057 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C ZINC001633529389 1070982307 /nfs/dbraw/zinc/98/23/07/1070982307.db2.gz SRFRMLNCKWZKPY-LXIYXOSZSA-N 1 2 395.460 -0.057 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C ZINC001633529389 1070982301 /nfs/dbraw/zinc/98/23/01/1070982301.db2.gz SRFRMLNCKWZKPY-LXIYXOSZSA-N 1 2 395.460 -0.057 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC001633529390 1070982483 /nfs/dbraw/zinc/98/24/83/1070982483.db2.gz SRFRMLNCKWZKPY-VBHSOAQHSA-N 1 2 395.460 -0.057 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC001633529390 1070982472 /nfs/dbraw/zinc/98/24/72/1070982472.db2.gz SRFRMLNCKWZKPY-VBHSOAQHSA-N 1 2 395.460 -0.057 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C ZINC001633529391 1070982523 /nfs/dbraw/zinc/98/25/23/1070982523.db2.gz SRFRMLNCKWZKPY-ZJNRKIDTSA-N 1 2 395.460 -0.057 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C ZINC001633529391 1070982515 /nfs/dbraw/zinc/98/25/15/1070982515.db2.gz SRFRMLNCKWZKPY-ZJNRKIDTSA-N 1 2 395.460 -0.057 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC001633529392 1070982413 /nfs/dbraw/zinc/98/24/13/1070982413.db2.gz SRGXUUPWIOTZEJ-ZDUSSCGKSA-N 1 2 397.432 -0.114 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC001633529392 1070982405 /nfs/dbraw/zinc/98/24/05/1070982405.db2.gz SRGXUUPWIOTZEJ-ZDUSSCGKSA-N 1 2 397.432 -0.114 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNc1ccc(S(C)(=O)=O)cc1 ZINC001633529437 1070982383 /nfs/dbraw/zinc/98/23/83/1070982383.db2.gz UGMZBTMJIATFMW-AWEZNQCLSA-N 1 2 379.442 -0.301 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNc1ccc(S(C)(=O)=O)cc1 ZINC001633529437 1070982381 /nfs/dbraw/zinc/98/23/81/1070982381.db2.gz UGMZBTMJIATFMW-AWEZNQCLSA-N 1 2 379.442 -0.301 20 0 GBADLO O=C(N[C@@H]1Cc2cnccc2NC1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001633555948 1070983512 /nfs/dbraw/zinc/98/35/12/1070983512.db2.gz MWEJGZAEILFLIT-GOEBONIOSA-N 1 2 387.440 -0.758 20 0 GBADLO O=C(N[C@H]1Cc2cnccc2NC1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001633555949 1070983403 /nfs/dbraw/zinc/98/34/03/1070983403.db2.gz MWEJGZAEILFLIT-HOCLYGCPSA-N 1 2 387.440 -0.758 20 0 GBADLO O=C(N[C@H]1Cc2cnccc2NC1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001633555950 1070983329 /nfs/dbraw/zinc/98/33/29/1070983329.db2.gz MWEJGZAEILFLIT-ZBFHGGJFSA-N 1 2 387.440 -0.758 20 0 GBADLO Cn1ncnc1C1(O)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001633646701 1070986305 /nfs/dbraw/zinc/98/63/05/1070986305.db2.gz IODMCNXMOWIKJL-CABCVRRESA-N 1 2 379.461 -0.495 20 0 GBADLO COC1(c2cnnn2C)CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC001633683510 1070988763 /nfs/dbraw/zinc/98/87/63/1070988763.db2.gz MTUDEPIFTYTKTC-AWEZNQCLSA-N 1 2 389.460 -0.004 20 0 GBADLO COC1(c2cnnn2C)CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC001633683510 1070988752 /nfs/dbraw/zinc/98/87/52/1070988752.db2.gz MTUDEPIFTYTKTC-AWEZNQCLSA-N 1 2 389.460 -0.004 20 0 GBADLO COC1(c2cnnn2C)CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC001633683511 1070988439 /nfs/dbraw/zinc/98/84/39/1070988439.db2.gz MTUDEPIFTYTKTC-CQSZACIVSA-N 1 2 389.460 -0.004 20 0 GBADLO COC1(c2cnnn2C)CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC001633683511 1070988429 /nfs/dbraw/zinc/98/84/29/1070988429.db2.gz MTUDEPIFTYTKTC-CQSZACIVSA-N 1 2 389.460 -0.004 20 0 GBADLO CC(C)NS(=O)(=O)NCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC001633979658 1070996756 /nfs/dbraw/zinc/99/67/56/1070996756.db2.gz GXQHSGQYOYEYFV-UHFFFAOYSA-N 1 2 387.506 -0.618 20 0 GBADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1 ZINC001634110289 1071000899 /nfs/dbraw/zinc/00/08/99/1071000899.db2.gz BBTLIRYTTAGYTC-FZMZJTMJSA-N 1 2 382.442 -0.055 20 0 GBADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1 ZINC001634110290 1071000507 /nfs/dbraw/zinc/00/05/07/1071000507.db2.gz BBTLIRYTTAGYTC-SMDDNHRTSA-N 1 2 382.442 -0.055 20 0 GBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001634110979 1071000749 /nfs/dbraw/zinc/00/07/49/1071000749.db2.gz JGLQLHHNXFEFFC-HNNXBMFYSA-N 1 2 394.453 -0.096 20 0 GBADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001634110980 1071002115 /nfs/dbraw/zinc/00/21/15/1071002115.db2.gz JGLQLHHNXFEFFC-OAHLLOKOSA-N 1 2 394.453 -0.096 20 0 GBADLO CN(CC(=O)N[C@H](CO)c1c[nH+]cn1C)C1=NS(=O)(=O)c2ccccc21 ZINC001634111759 1071002475 /nfs/dbraw/zinc/00/24/75/1071002475.db2.gz SBJMJMZYLHROLM-GFCCVEGCSA-N 1 2 377.426 -0.349 20 0 GBADLO CN(CC(=O)N[C@@H](CO)c1c[nH+]cn1C)C1=NS(=O)(=O)c2ccccc21 ZINC001634111761 1071001166 /nfs/dbraw/zinc/00/11/66/1071001166.db2.gz SBJMJMZYLHROLM-LBPRGKRZSA-N 1 2 377.426 -0.349 20 0 GBADLO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1 ZINC001634115310 1071001205 /nfs/dbraw/zinc/00/12/05/1071001205.db2.gz DVFJNMCEOGWSGK-AWEZNQCLSA-N 1 2 394.453 -0.255 20 0 GBADLO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1 ZINC001634115311 1071002394 /nfs/dbraw/zinc/00/23/94/1071002394.db2.gz DVFJNMCEOGWSGK-CQSZACIVSA-N 1 2 394.453 -0.255 20 0 GBADLO COCCOCC(=O)NC1CCC(C(=O)N[C@@H](CO)c2c[nH+]cn2C)CC1 ZINC001634116284 1071002020 /nfs/dbraw/zinc/00/20/20/1071002020.db2.gz SURNJWLDZRUAEW-NRXISQOPSA-N 1 2 382.461 -0.092 20 0 GBADLO COCCOCC(=O)NC1CCC(C(=O)N[C@H](CO)c2c[nH+]cn2C)CC1 ZINC001634116285 1071001368 /nfs/dbraw/zinc/00/13/68/1071001368.db2.gz SURNJWLDZRUAEW-YMAMQOFZSA-N 1 2 382.461 -0.092 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)[C@H](C)O)cc1 ZINC001634116333 1071001329 /nfs/dbraw/zinc/00/13/29/1071001329.db2.gz UPNLZJZAVKYNOE-BJJXKVORSA-N 1 2 396.469 -0.394 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)[C@@H](C)O)cc1 ZINC001634116337 1071002299 /nfs/dbraw/zinc/00/22/99/1071002299.db2.gz UPNLZJZAVKYNOE-INWMFGNUSA-N 1 2 396.469 -0.394 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)[C@H](C)O)cc1 ZINC001634116339 1071001793 /nfs/dbraw/zinc/00/17/93/1071001793.db2.gz UPNLZJZAVKYNOE-NOLJZWGESA-N 1 2 396.469 -0.394 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)[C@@H](C)O)cc1 ZINC001634116341 1071001916 /nfs/dbraw/zinc/00/19/16/1071001916.db2.gz UPNLZJZAVKYNOE-XPKDYRNWSA-N 1 2 396.469 -0.394 20 0 GBADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1nc(O)cc(=O)[nH]1 ZINC001634158027 1071004332 /nfs/dbraw/zinc/00/43/32/1071004332.db2.gz VGHDDKUTIIVZAR-GFCCVEGCSA-N 1 2 379.417 -0.783 20 0 GBADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1nc(O)cc(=O)[nH]1 ZINC001634158028 1071004447 /nfs/dbraw/zinc/00/44/47/1071004447.db2.gz VGHDDKUTIIVZAR-LBPRGKRZSA-N 1 2 379.417 -0.783 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCCN2CCNC(=O)C2)CC1 ZINC001634161591 1071004552 /nfs/dbraw/zinc/00/45/52/1071004552.db2.gz ZVCGVFLWFRNRGX-UHFFFAOYSA-N 1 2 383.493 -0.477 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)[C@H](C)O)cc1 ZINC001634203550 1071006106 /nfs/dbraw/zinc/00/61/06/1071006106.db2.gz XYDKPNXZSPKMEX-DZKIICNBSA-N 1 2 385.486 -0.842 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)[C@H](C)O)cc1 ZINC001634203550 1071006088 /nfs/dbraw/zinc/00/60/88/1071006088.db2.gz XYDKPNXZSPKMEX-DZKIICNBSA-N 1 2 385.486 -0.842 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)[C@@H](C)O)cc1 ZINC001634203551 1071006474 /nfs/dbraw/zinc/00/64/74/1071006474.db2.gz XYDKPNXZSPKMEX-FMKPAKJESA-N 1 2 385.486 -0.842 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)[C@@H](C)O)cc1 ZINC001634203551 1071006457 /nfs/dbraw/zinc/00/64/57/1071006457.db2.gz XYDKPNXZSPKMEX-FMKPAKJESA-N 1 2 385.486 -0.842 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)[C@H](C)O)cc1 ZINC001634203552 1071006676 /nfs/dbraw/zinc/00/66/76/1071006676.db2.gz XYDKPNXZSPKMEX-LZWOXQAQSA-N 1 2 385.486 -0.842 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)[C@H](C)O)cc1 ZINC001634203552 1071006658 /nfs/dbraw/zinc/00/66/58/1071006658.db2.gz XYDKPNXZSPKMEX-LZWOXQAQSA-N 1 2 385.486 -0.842 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CO)[C@@H](C)O)cc1 ZINC001634203553 1071006390 /nfs/dbraw/zinc/00/63/90/1071006390.db2.gz XYDKPNXZSPKMEX-YCPHGPKFSA-N 1 2 385.486 -0.842 20 0 GBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CO)[C@@H](C)O)cc1 ZINC001634203553 1071006376 /nfs/dbraw/zinc/00/63/76/1071006376.db2.gz XYDKPNXZSPKMEX-YCPHGPKFSA-N 1 2 385.486 -0.842 20 0 GBADLO CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC001634218636 1071008638 /nfs/dbraw/zinc/00/86/38/1071008638.db2.gz VUAXFOPVZRYPLW-WCVJEAGWSA-N 1 2 399.488 -0.037 20 0 GBADLO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CCCO1 ZINC001634244132 1071008342 /nfs/dbraw/zinc/00/83/42/1071008342.db2.gz RANBSCVTMGKYDC-GFCCVEGCSA-N 1 2 388.494 -0.351 20 0 GBADLO C[C@@H]1C[N@H+](CCCNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CCCO1 ZINC001634244132 1071008324 /nfs/dbraw/zinc/00/83/24/1071008324.db2.gz RANBSCVTMGKYDC-GFCCVEGCSA-N 1 2 388.494 -0.351 20 0 GBADLO C[C@H]1C[N@@H+](CCCNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CCCO1 ZINC001634244133 1071008541 /nfs/dbraw/zinc/00/85/41/1071008541.db2.gz RANBSCVTMGKYDC-LBPRGKRZSA-N 1 2 388.494 -0.351 20 0 GBADLO C[C@H]1C[N@H+](CCCNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CCCO1 ZINC001634244133 1071008521 /nfs/dbraw/zinc/00/85/21/1071008521.db2.gz RANBSCVTMGKYDC-LBPRGKRZSA-N 1 2 388.494 -0.351 20 0 GBADLO O=C(CS(=O)(=O)C1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001634282301 1071009627 /nfs/dbraw/zinc/00/96/27/1071009627.db2.gz SEXGENKTUBFVHS-UHFFFAOYSA-N 1 2 395.485 -0.461 20 0 GBADLO O=C(CS(=O)(=O)C1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001634282301 1071009610 /nfs/dbraw/zinc/00/96/10/1071009610.db2.gz SEXGENKTUBFVHS-UHFFFAOYSA-N 1 2 395.485 -0.461 20 0 GBADLO CC(=O)Nc1cnccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634301668 1071010975 /nfs/dbraw/zinc/01/09/75/1071010975.db2.gz DNQXSOWJPYHKSO-AWEZNQCLSA-N 1 2 375.429 -0.297 20 0 GBADLO CC(=O)Nc1cnccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634301670 1071010630 /nfs/dbraw/zinc/01/06/30/1071010630.db2.gz DNQXSOWJPYHKSO-CQSZACIVSA-N 1 2 375.429 -0.297 20 0 GBADLO Cc1nn(-c2cccnc2)nc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634301977 1071010500 /nfs/dbraw/zinc/01/05/00/1071010500.db2.gz JNKAQBAOGPMSKP-HNNXBMFYSA-N 1 2 399.455 -0.366 20 0 GBADLO Cc1nn(-c2cccnc2)nc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634301978 1071011424 /nfs/dbraw/zinc/01/14/24/1071011424.db2.gz JNKAQBAOGPMSKP-OAHLLOKOSA-N 1 2 399.455 -0.366 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2[nH]c(CO)nc2c1 ZINC001634302166 1071010846 /nfs/dbraw/zinc/01/08/46/1071010846.db2.gz MRERDDHZTGLSJL-AWEZNQCLSA-N 1 2 387.440 -0.282 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2[nH]c(CO)nc2c1 ZINC001634302167 1071010338 /nfs/dbraw/zinc/01/03/38/1071010338.db2.gz MRERDDHZTGLSJL-CQSZACIVSA-N 1 2 387.440 -0.282 20 0 GBADLO Cc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)n1NC(N)=O ZINC001634302706 1071011188 /nfs/dbraw/zinc/01/11/88/1071011188.db2.gz SDBWUCUJEWMBIT-AWEZNQCLSA-N 1 2 392.460 -0.610 20 0 GBADLO Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)n1NC(N)=O ZINC001634302710 1071011366 /nfs/dbraw/zinc/01/13/66/1071011366.db2.gz SDBWUCUJEWMBIT-CQSZACIVSA-N 1 2 392.460 -0.610 20 0 GBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc2nc[nH]c(=O)c21 ZINC001634303064 1071010302 /nfs/dbraw/zinc/01/03/02/1071010302.db2.gz WQMDWNAFHYKDCR-CYBMUJFWSA-N 1 2 385.424 -0.002 20 0 GBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc2nc[nH]c(=O)c21 ZINC001634303065 1071010669 /nfs/dbraw/zinc/01/06/69/1071010669.db2.gz WQMDWNAFHYKDCR-ZDUSSCGKSA-N 1 2 385.424 -0.002 20 0 GBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CC(CO)(CO)C1 ZINC001634395649 1071014723 /nfs/dbraw/zinc/01/47/23/1071014723.db2.gz BSSUTXAJVTVKLW-UHFFFAOYSA-N 1 2 376.457 -0.240 20 0 GBADLO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001634449346 1071015466 /nfs/dbraw/zinc/01/54/66/1071015466.db2.gz QXXCDROXKRHSLI-QBPKDAKJSA-N 1 2 385.424 -0.015 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC001634532495 1071020799 /nfs/dbraw/zinc/02/07/99/1071020799.db2.gz GDTVYAIIHIHIEI-UHFFFAOYSA-N 1 2 386.474 -0.234 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC001634532495 1071020780 /nfs/dbraw/zinc/02/07/80/1071020780.db2.gz GDTVYAIIHIHIEI-UHFFFAOYSA-N 1 2 386.474 -0.234 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC001634532502 1071021400 /nfs/dbraw/zinc/02/14/00/1071021400.db2.gz GEJYLJFAFHPFNJ-UHFFFAOYSA-N 1 2 385.490 -0.499 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC001634532502 1071021385 /nfs/dbraw/zinc/02/13/85/1071021385.db2.gz GEJYLJFAFHPFNJ-UHFFFAOYSA-N 1 2 385.490 -0.499 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC001634533299 1071020969 /nfs/dbraw/zinc/02/09/69/1071020969.db2.gz UAHUAWBMRHFVIT-UHFFFAOYSA-N 1 2 391.472 -0.663 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC001634533299 1071020952 /nfs/dbraw/zinc/02/09/52/1071020952.db2.gz UAHUAWBMRHFVIT-UHFFFAOYSA-N 1 2 391.472 -0.663 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 ZINC001634536809 1071021126 /nfs/dbraw/zinc/02/11/26/1071021126.db2.gz QUTDUPLBHGOHOJ-INIZCTEOSA-N 1 2 394.447 -0.461 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 ZINC001634536809 1071021106 /nfs/dbraw/zinc/02/11/06/1071021106.db2.gz QUTDUPLBHGOHOJ-INIZCTEOSA-N 1 2 394.447 -0.461 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)CC1 ZINC001634536862 1071021347 /nfs/dbraw/zinc/02/13/47/1071021347.db2.gz REXBTQJEUZYLKV-HNNXBMFYSA-N 1 2 390.488 -0.214 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)CC1 ZINC001634536862 1071021328 /nfs/dbraw/zinc/02/13/28/1071021328.db2.gz REXBTQJEUZYLKV-HNNXBMFYSA-N 1 2 390.488 -0.214 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)CC1 ZINC001634536864 1071020681 /nfs/dbraw/zinc/02/06/81/1071020681.db2.gz REXBTQJEUZYLKV-OAHLLOKOSA-N 1 2 390.488 -0.214 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)CC1 ZINC001634536864 1071020662 /nfs/dbraw/zinc/02/06/62/1071020662.db2.gz REXBTQJEUZYLKV-OAHLLOKOSA-N 1 2 390.488 -0.214 20 0 GBADLO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001634537264 1071020581 /nfs/dbraw/zinc/02/05/81/1071020581.db2.gz WDNGJWVLCDUREI-MRXNPFEDSA-N 1 2 388.534 -0.285 20 0 GBADLO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001634537264 1071020562 /nfs/dbraw/zinc/02/05/62/1071020562.db2.gz WDNGJWVLCDUREI-MRXNPFEDSA-N 1 2 388.534 -0.285 20 0 GBADLO O=C(N[C@H](CO)[C@@H](O)C1CCCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634638594 1071024569 /nfs/dbraw/zinc/02/45/69/1071024569.db2.gz RFMWFKIUYLRPFJ-LMMKCTJWSA-N 1 2 397.516 -0.415 20 0 GBADLO O=C(N[C@H](CO)[C@@H](O)C1CCCCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634638595 1071024225 /nfs/dbraw/zinc/02/42/25/1071024225.db2.gz RFMWFKIUYLRPFJ-SCTDSRPQSA-N 1 2 397.516 -0.415 20 0 GBADLO O=C(N[C@H](CO)[C@H](O)C1CCCCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634638596 1071024763 /nfs/dbraw/zinc/02/47/63/1071024763.db2.gz RFMWFKIUYLRPFJ-YQVWRLOYSA-N 1 2 397.516 -0.415 20 0 GBADLO O=C(N[C@H](CO)[C@H](O)C1CCCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634638597 1071024664 /nfs/dbraw/zinc/02/46/64/1071024664.db2.gz RFMWFKIUYLRPFJ-ZHALLVOQSA-N 1 2 397.516 -0.415 20 0 GBADLO CN(Cc1nnc2n1CCN(C)C2=O)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001634690116 1071028073 /nfs/dbraw/zinc/02/80/73/1071028073.db2.gz QCBIUGOXXINTLW-KGLIPLIRSA-N 1 2 392.460 -0.798 20 0 GBADLO O=C(NCCc1nnc2n1CCNC2=O)c1ccccc1C[NH+]1CCOCC1 ZINC001634719483 1071029869 /nfs/dbraw/zinc/02/98/69/1071029869.db2.gz WGYSTCVHAVJJQP-UHFFFAOYSA-N 1 2 384.440 -0.174 20 0 GBADLO CCOC1CC(CNC(=O)NC[C@@H]2CC(C(N)=O)=NO2)([NH+]2CCOCC2)C1 ZINC001634863948 1071032339 /nfs/dbraw/zinc/03/23/39/1071032339.db2.gz PQXVRRNGBJQPCR-POZPTJLLSA-N 1 2 383.449 -0.814 20 0 GBADLO CCOC1CC(CNC(=O)NC[C@H]2CC(C(N)=O)=NO2)([NH+]2CCOCC2)C1 ZINC001634863952 1071032278 /nfs/dbraw/zinc/03/22/78/1071032278.db2.gz PQXVRRNGBJQPCR-SFYCDEOASA-N 1 2 383.449 -0.814 20 0 GBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cc1 ZINC001634964417 1071034252 /nfs/dbraw/zinc/03/42/52/1071034252.db2.gz HMRAHEGGYSEGLF-INIZCTEOSA-N 1 2 393.469 -0.191 20 0 GBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cc1 ZINC001634964418 1071034716 /nfs/dbraw/zinc/03/47/16/1071034716.db2.gz HMRAHEGGYSEGLF-MRXNPFEDSA-N 1 2 393.469 -0.191 20 0 GBADLO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001634964560 1071034360 /nfs/dbraw/zinc/03/43/60/1071034360.db2.gz KZHJUDAKPRHICH-CVEARBPZSA-N 1 2 375.404 -0.259 20 0 GBADLO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001634964561 1071034605 /nfs/dbraw/zinc/03/46/05/1071034605.db2.gz KZHJUDAKPRHICH-HOTGVXAUSA-N 1 2 375.404 -0.259 20 0 GBADLO CCc1c(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001634964916 1071034643 /nfs/dbraw/zinc/03/46/43/1071034643.db2.gz VMRUDCBENNKFFW-AWEZNQCLSA-N 1 2 397.439 -0.296 20 0 GBADLO CCc1c(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001634964917 1071034673 /nfs/dbraw/zinc/03/46/73/1071034673.db2.gz VMRUDCBENNKFFW-CQSZACIVSA-N 1 2 397.439 -0.296 20 0 GBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001634988759 1071036076 /nfs/dbraw/zinc/03/60/76/1071036076.db2.gz IVVVOFHHSYDVCR-ZIAGYGMSSA-N 1 2 390.502 -0.200 20 0 GBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001634988759 1071036069 /nfs/dbraw/zinc/03/60/69/1071036069.db2.gz IVVVOFHHSYDVCR-ZIAGYGMSSA-N 1 2 390.502 -0.200 20 0 GBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C2 ZINC001635065294 1071037745 /nfs/dbraw/zinc/03/77/45/1071037745.db2.gz HZINRPOZPHBVQD-CYBMUJFWSA-N 1 2 385.490 -0.927 20 0 GBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C2 ZINC001635065295 1071037873 /nfs/dbraw/zinc/03/78/73/1071037873.db2.gz HZINRPOZPHBVQD-ZDUSSCGKSA-N 1 2 385.490 -0.927 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCC(N)=O)CC3)CC1 ZINC001635103031 1071038977 /nfs/dbraw/zinc/03/89/77/1071038977.db2.gz NFPGUOBKKRVONO-CYBMUJFWSA-N 1 2 376.461 -0.785 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCC(N)=O)CC3)CC1 ZINC001635103032 1071039001 /nfs/dbraw/zinc/03/90/01/1071039001.db2.gz NFPGUOBKKRVONO-ZDUSSCGKSA-N 1 2 376.461 -0.785 20 0 GBADLO COC(=O)NCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001635242312 1071041953 /nfs/dbraw/zinc/04/19/53/1071041953.db2.gz ZROKBVBRWQLLJF-UHFFFAOYSA-N 1 2 393.448 -0.499 20 0 GBADLO COC(=O)NCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001635242312 1071041949 /nfs/dbraw/zinc/04/19/49/1071041949.db2.gz ZROKBVBRWQLLJF-UHFFFAOYSA-N 1 2 393.448 -0.499 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC001635258328 1071042534 /nfs/dbraw/zinc/04/25/34/1071042534.db2.gz DBGJZXMYOUOXCZ-HNNXBMFYSA-N 1 2 385.486 -0.075 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC001635258329 1071042566 /nfs/dbraw/zinc/04/25/66/1071042566.db2.gz DBGJZXMYOUOXCZ-OAHLLOKOSA-N 1 2 385.486 -0.075 20 0 GBADLO CCn1c2ccc(C(=O)N3CCC[N@@H+](CC(=O)NC)CC3)cc2[nH]c(=O)c1=O ZINC001635375243 1071045934 /nfs/dbraw/zinc/04/59/34/1071045934.db2.gz QKQAZTCPNNOGPQ-UHFFFAOYSA-N 1 2 387.440 -0.396 20 0 GBADLO CCn1c2ccc(C(=O)N3CCC[N@H+](CC(=O)NC)CC3)cc2[nH]c(=O)c1=O ZINC001635375243 1071045927 /nfs/dbraw/zinc/04/59/27/1071045927.db2.gz QKQAZTCPNNOGPQ-UHFFFAOYSA-N 1 2 387.440 -0.396 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2cc(C)ccc2C)CC1 ZINC001635375541 1071046043 /nfs/dbraw/zinc/04/60/43/1071046043.db2.gz YLDTVXBISRISBA-UHFFFAOYSA-N 1 2 396.513 -0.138 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2cc(C)ccc2C)CC1 ZINC001635375541 1071046034 /nfs/dbraw/zinc/04/60/34/1071046034.db2.gz YLDTVXBISRISBA-UHFFFAOYSA-N 1 2 396.513 -0.138 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC001635378677 1071045746 /nfs/dbraw/zinc/04/57/46/1071045746.db2.gz DQZWLDHEOYBATQ-UHFFFAOYSA-N 1 2 382.486 -0.119 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC001635378677 1071045739 /nfs/dbraw/zinc/04/57/39/1071045739.db2.gz DQZWLDHEOYBATQ-UHFFFAOYSA-N 1 2 382.486 -0.119 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)COCCNC(=O)c2ccccc2)CC1 ZINC001635378793 1071045983 /nfs/dbraw/zinc/04/59/83/1071045983.db2.gz KDIXGDUQTXAAQD-UHFFFAOYSA-N 1 2 376.457 -0.287 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)COCCNC(=O)c2ccccc2)CC1 ZINC001635378793 1071045976 /nfs/dbraw/zinc/04/59/76/1071045976.db2.gz KDIXGDUQTXAAQD-UHFFFAOYSA-N 1 2 376.457 -0.287 20 0 GBADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001635393560 1071045623 /nfs/dbraw/zinc/04/56/23/1071045623.db2.gz BIZMHINKOXPECR-AWEZNQCLSA-N 1 2 384.506 -0.326 20 0 GBADLO CC[C@H](CNS(C)(=O)=O)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001635393561 1071045893 /nfs/dbraw/zinc/04/58/93/1071045893.db2.gz BIZMHINKOXPECR-CQSZACIVSA-N 1 2 384.506 -0.326 20 0 GBADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001635394232 1071045793 /nfs/dbraw/zinc/04/57/93/1071045793.db2.gz NEMQHIPBQJUOTH-BBRMVZONSA-N 1 2 392.522 -0.771 20 0 GBADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001635394232 1071045783 /nfs/dbraw/zinc/04/57/83/1071045783.db2.gz NEMQHIPBQJUOTH-BBRMVZONSA-N 1 2 392.522 -0.771 20 0 GBADLO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001635394233 1071045882 /nfs/dbraw/zinc/04/58/82/1071045882.db2.gz NEMQHIPBQJUOTH-CJNGLKHVSA-N 1 2 392.522 -0.771 20 0 GBADLO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001635394233 1071045876 /nfs/dbraw/zinc/04/58/76/1071045876.db2.gz NEMQHIPBQJUOTH-CJNGLKHVSA-N 1 2 392.522 -0.771 20 0 GBADLO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001635394234 1071045961 /nfs/dbraw/zinc/04/59/61/1071045961.db2.gz NEMQHIPBQJUOTH-CZUORRHYSA-N 1 2 392.522 -0.771 20 0 GBADLO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001635394234 1071045956 /nfs/dbraw/zinc/04/59/56/1071045956.db2.gz NEMQHIPBQJUOTH-CZUORRHYSA-N 1 2 392.522 -0.771 20 0 GBADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001635394235 1071045855 /nfs/dbraw/zinc/04/58/55/1071045855.db2.gz NEMQHIPBQJUOTH-XJKSGUPXSA-N 1 2 392.522 -0.771 20 0 GBADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001635394235 1071045840 /nfs/dbraw/zinc/04/58/40/1071045840.db2.gz NEMQHIPBQJUOTH-XJKSGUPXSA-N 1 2 392.522 -0.771 20 0 GBADLO Cn1cc(S(=O)(=O)NCC(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)cn1 ZINC001635413476 1071046520 /nfs/dbraw/zinc/04/65/20/1071046520.db2.gz GMDRRSBBJAQAFR-UHFFFAOYSA-N 1 2 393.473 -0.516 20 0 GBADLO COCCCS(=O)(=O)NCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC001635413489 1071046726 /nfs/dbraw/zinc/04/67/26/1071046726.db2.gz GSHHYWMDEOYCHW-UHFFFAOYSA-N 1 2 385.490 -0.272 20 0 GBADLO COC(=O)C1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001635580561 1071050515 /nfs/dbraw/zinc/05/05/15/1071050515.db2.gz MSRYVTUHFHJYKG-AWEZNQCLSA-N 1 2 383.445 -0.995 20 0 GBADLO COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001635580562 1071050637 /nfs/dbraw/zinc/05/06/37/1071050637.db2.gz MSRYVTUHFHJYKG-CQSZACIVSA-N 1 2 383.445 -0.995 20 0 GBADLO Cc1nc(C(=O)NCC[NH+]2CCC(O)CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001635687924 1071054216 /nfs/dbraw/zinc/05/42/16/1071054216.db2.gz NHJXXESVGBIJSV-UHFFFAOYSA-N 1 2 388.354 -0.101 20 0 GBADLO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC[C@]1(CO)COCC[NH2+]1 ZINC001635744574 1071055362 /nfs/dbraw/zinc/05/53/62/1071055362.db2.gz DMWHOEYWGJRVFS-KRWDZBQOSA-N 1 2 378.454 -0.458 20 0 GBADLO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC[C@@]1(CO)COCC[NH2+]1 ZINC001635744576 1071055009 /nfs/dbraw/zinc/05/50/09/1071055009.db2.gz DMWHOEYWGJRVFS-QGZVFWFLSA-N 1 2 378.454 -0.458 20 0 GBADLO CCn1c(=O)c2ccc(C(=O)NC[C@]3(CO)COCC[NH2+]3)cc2[nH]c1=S ZINC001635744987 1071055410 /nfs/dbraw/zinc/05/54/10/1071055410.db2.gz FZIYGLHYZDBGMM-KRWDZBQOSA-N 1 2 378.454 -0.214 20 0 GBADLO CCn1c(=O)c2ccc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)cc2[nH]c1=S ZINC001635744988 1071055475 /nfs/dbraw/zinc/05/54/75/1071055475.db2.gz FZIYGLHYZDBGMM-QGZVFWFLSA-N 1 2 378.454 -0.214 20 0 GBADLO CN(C)S(=O)(=O)CCNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001635792030 1071056682 /nfs/dbraw/zinc/05/66/82/1071056682.db2.gz KMNOBSVDOZSTAI-UHFFFAOYSA-N 1 2 392.522 -0.017 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC001635960303 1071061893 /nfs/dbraw/zinc/06/18/93/1071061893.db2.gz FJZCWZMYWBWRJY-MRXNPFEDSA-N 1 2 385.424 -0.041 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC001635960303 1071061875 /nfs/dbraw/zinc/06/18/75/1071061875.db2.gz FJZCWZMYWBWRJY-MRXNPFEDSA-N 1 2 385.424 -0.041 20 0 GBADLO CNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)OC)ccc1OC ZINC001635961062 1071062153 /nfs/dbraw/zinc/06/21/53/1071062153.db2.gz VPFXSSNRRWGSJY-GFCCVEGCSA-N 1 2 396.425 -0.160 20 0 GBADLO CNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)OC)ccc1OC ZINC001635961062 1071062140 /nfs/dbraw/zinc/06/21/40/1071062140.db2.gz VPFXSSNRRWGSJY-GFCCVEGCSA-N 1 2 396.425 -0.160 20 0 GBADLO NC(=O)C1(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CCS(=O)(=O)CC1 ZINC001636064304 1071065120 /nfs/dbraw/zinc/06/51/20/1071065120.db2.gz XGLKKMZUWSYSJQ-HNNXBMFYSA-N 1 2 394.497 -0.158 20 0 GBADLO NC(=O)C1(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCS(=O)(=O)CC1 ZINC001636064304 1071065113 /nfs/dbraw/zinc/06/51/13/1071065113.db2.gz XGLKKMZUWSYSJQ-HNNXBMFYSA-N 1 2 394.497 -0.158 20 0 GBADLO NC(=O)C1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CCS(=O)(=O)CC1 ZINC001636064305 1071064911 /nfs/dbraw/zinc/06/49/11/1071064911.db2.gz XGLKKMZUWSYSJQ-OAHLLOKOSA-N 1 2 394.497 -0.158 20 0 GBADLO NC(=O)C1(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCS(=O)(=O)CC1 ZINC001636064305 1071064894 /nfs/dbraw/zinc/06/48/94/1071064894.db2.gz XGLKKMZUWSYSJQ-OAHLLOKOSA-N 1 2 394.497 -0.158 20 0 GBADLO Cc1nc(N2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)cc[nH+]1 ZINC001636090548 1071065547 /nfs/dbraw/zinc/06/55/47/1071065547.db2.gz XYIITIAGZOIKBD-UHFFFAOYSA-N 1 2 387.448 -0.213 20 0 GBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001636094321 1071066457 /nfs/dbraw/zinc/06/64/57/1071066457.db2.gz KDHYCJHURLUREX-KBPBESRZSA-N 1 2 379.465 -0.338 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001636094322 1071066672 /nfs/dbraw/zinc/06/66/72/1071066672.db2.gz KDHYCJHURLUREX-KGLIPLIRSA-N 1 2 379.465 -0.338 20 0 GBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001636094323 1071067014 /nfs/dbraw/zinc/06/70/14/1071067014.db2.gz KDHYCJHURLUREX-UONOGXRCSA-N 1 2 379.465 -0.338 20 0 GBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCCn1cc(C(N)=O)nn1 ZINC001636094324 1071067214 /nfs/dbraw/zinc/06/72/14/1071067214.db2.gz KDHYCJHURLUREX-ZIAGYGMSSA-N 1 2 379.465 -0.338 20 0 GBADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@H](CO)Cc3c[nH+]c[nH]3)ccc21 ZINC001636178774 1071070130 /nfs/dbraw/zinc/07/01/30/1071070130.db2.gz CFUQOYRKINJQHT-INIZCTEOSA-N 1 2 385.424 -0.232 20 0 GBADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@H](CO)Cc3c[nH]c[nH+]3)ccc21 ZINC001636178774 1071070115 /nfs/dbraw/zinc/07/01/15/1071070115.db2.gz CFUQOYRKINJQHT-INIZCTEOSA-N 1 2 385.424 -0.232 20 0 GBADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001636179063 1071070013 /nfs/dbraw/zinc/07/00/13/1071070013.db2.gz LCALZLVPMCYWHV-LBPRGKRZSA-N 1 2 399.498 -0.191 20 0 GBADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001636179063 1071070003 /nfs/dbraw/zinc/07/00/03/1071070003.db2.gz LCALZLVPMCYWHV-LBPRGKRZSA-N 1 2 399.498 -0.191 20 0 GBADLO C[C@@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001636179843 1071069845 /nfs/dbraw/zinc/06/98/45/1071069845.db2.gz XNEJZKAAEOLMTA-JSGCOSHPSA-N 1 2 395.460 -0.103 20 0 GBADLO C[C@@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001636179843 1071069831 /nfs/dbraw/zinc/06/98/31/1071069831.db2.gz XNEJZKAAEOLMTA-JSGCOSHPSA-N 1 2 395.460 -0.103 20 0 GBADLO C[C@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001636179844 1071070752 /nfs/dbraw/zinc/07/07/52/1071070752.db2.gz XNEJZKAAEOLMTA-OCCSQVGLSA-N 1 2 395.460 -0.103 20 0 GBADLO C[C@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001636179844 1071070735 /nfs/dbraw/zinc/07/07/35/1071070735.db2.gz XNEJZKAAEOLMTA-OCCSQVGLSA-N 1 2 395.460 -0.103 20 0 GBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C1CCC3(CC1)NC(=O)NC3=O)C2 ZINC001636194290 1071071680 /nfs/dbraw/zinc/07/16/80/1071071680.db2.gz PZCHRCJOTPNOGH-FWHMADFJSA-N 1 2 389.456 -0.074 20 0 GBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C1CCC3(CC1)NC(=O)NC3=O)C2 ZINC001636194291 1071071505 /nfs/dbraw/zinc/07/15/05/1071071505.db2.gz PZCHRCJOTPNOGH-MLZJXEJWSA-N 1 2 389.456 -0.074 20 0 GBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1nc(S(N)(=O)=O)c2ccccn21 ZINC001636292074 1071075068 /nfs/dbraw/zinc/07/50/68/1071075068.db2.gz YAOKMSCNGIFIAQ-CHWSQXEVSA-N 1 2 393.469 -0.083 20 0 GBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1nc(S(N)(=O)=O)c2ccccn21 ZINC001636292075 1071074983 /nfs/dbraw/zinc/07/49/83/1071074983.db2.gz YAOKMSCNGIFIAQ-OLZOCXBDSA-N 1 2 393.469 -0.083 20 0 GBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1nc(S(N)(=O)=O)c2ccccn21 ZINC001636292076 1071074409 /nfs/dbraw/zinc/07/44/09/1071074409.db2.gz YAOKMSCNGIFIAQ-QWHCGFSZSA-N 1 2 393.469 -0.083 20 0 GBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1nc(S(N)(=O)=O)c2ccccn21 ZINC001636292077 1071074504 /nfs/dbraw/zinc/07/45/04/1071074504.db2.gz YAOKMSCNGIFIAQ-STQMWFEESA-N 1 2 393.469 -0.083 20 0 GBADLO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001636359359 1071078896 /nfs/dbraw/zinc/07/88/96/1071078896.db2.gz PNSALNJCPTYNMJ-UHFFFAOYSA-N 1 2 399.517 -0.492 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001636469445 1071084569 /nfs/dbraw/zinc/08/45/69/1071084569.db2.gz YXUPLUOVRXNDEK-KBXCAEBGSA-N 1 2 382.461 -0.115 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001636469445 1071084552 /nfs/dbraw/zinc/08/45/52/1071084552.db2.gz YXUPLUOVRXNDEK-KBXCAEBGSA-N 1 2 382.461 -0.115 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001636469446 1071084802 /nfs/dbraw/zinc/08/48/02/1071084802.db2.gz YXUPLUOVRXNDEK-KDOFPFPSSA-N 1 2 382.461 -0.115 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001636469446 1071084795 /nfs/dbraw/zinc/08/47/95/1071084795.db2.gz YXUPLUOVRXNDEK-KDOFPFPSSA-N 1 2 382.461 -0.115 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001636469447 1071084730 /nfs/dbraw/zinc/08/47/30/1071084730.db2.gz YXUPLUOVRXNDEK-KSSFIOAISA-N 1 2 382.461 -0.115 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001636469447 1071084720 /nfs/dbraw/zinc/08/47/20/1071084720.db2.gz YXUPLUOVRXNDEK-KSSFIOAISA-N 1 2 382.461 -0.115 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001636469448 1071084775 /nfs/dbraw/zinc/08/47/75/1071084775.db2.gz YXUPLUOVRXNDEK-RDTXWAMCSA-N 1 2 382.461 -0.115 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001636469448 1071084770 /nfs/dbraw/zinc/08/47/70/1071084770.db2.gz YXUPLUOVRXNDEK-RDTXWAMCSA-N 1 2 382.461 -0.115 20 0 GBADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001636521560 1071087953 /nfs/dbraw/zinc/08/79/53/1071087953.db2.gz RXSNILWFYRRMLF-AWEZNQCLSA-N 1 2 380.470 -0.009 20 0 GBADLO CN1C(=S)N=NC1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001636543222 1071090146 /nfs/dbraw/zinc/09/01/46/1071090146.db2.gz GAGIBNFOZWEHOI-INIZCTEOSA-N 1 2 384.506 -0.439 20 0 GBADLO CN1C(=S)N=NC1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001636543222 1071090136 /nfs/dbraw/zinc/09/01/36/1071090136.db2.gz GAGIBNFOZWEHOI-INIZCTEOSA-N 1 2 384.506 -0.439 20 0 GBADLO CN1C(=S)N=NC1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001636543223 1071090247 /nfs/dbraw/zinc/09/02/47/1071090247.db2.gz GAGIBNFOZWEHOI-MRXNPFEDSA-N 1 2 384.506 -0.439 20 0 GBADLO CN1C(=S)N=NC1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001636543223 1071090244 /nfs/dbraw/zinc/09/02/44/1071090244.db2.gz GAGIBNFOZWEHOI-MRXNPFEDSA-N 1 2 384.506 -0.439 20 0 GBADLO O=C(NCc1nc(-c2ccccn2)n[nH]1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001636657540 1071094631 /nfs/dbraw/zinc/09/46/31/1071094631.db2.gz UKYPRALTJCJEJB-AWEZNQCLSA-N 1 2 399.455 -0.336 20 0 GBADLO O=C(NCc1nc(-c2ccccn2)n[nH]1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001636657547 1071094586 /nfs/dbraw/zinc/09/45/86/1071094586.db2.gz UKYPRALTJCJEJB-CQSZACIVSA-N 1 2 399.455 -0.336 20 0 GBADLO NC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)CCS2(=O)=O ZINC001636696466 1071096501 /nfs/dbraw/zinc/09/65/01/1071096501.db2.gz QSZQUNZXRDHZDF-BBYOUEMTSA-N 1 2 380.470 -0.227 20 0 GBADLO NC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)CCS2(=O)=O ZINC001636696467 1071096314 /nfs/dbraw/zinc/09/63/14/1071096314.db2.gz QSZQUNZXRDHZDF-GWUZIGMUSA-N 1 2 380.470 -0.227 20 0 GBADLO NC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)CCS2(=O)=O ZINC001636696468 1071096085 /nfs/dbraw/zinc/09/60/85/1071096085.db2.gz QSZQUNZXRDHZDF-IRSUPMPHSA-N 1 2 380.470 -0.227 20 0 GBADLO NC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)CCS2(=O)=O ZINC001636696469 1071096115 /nfs/dbraw/zinc/09/61/15/1071096115.db2.gz QSZQUNZXRDHZDF-QGXCKBJSSA-N 1 2 380.470 -0.227 20 0 GBADLO CC1=C(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)S(=O)(=O)CCO1 ZINC001636784366 1071101396 /nfs/dbraw/zinc/10/13/96/1071101396.db2.gz NCSOVAPOFYVGSL-UHFFFAOYSA-N 1 2 385.486 -0.005 20 0 GBADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001636803126 1071101198 /nfs/dbraw/zinc/10/11/98/1071101198.db2.gz ASMMYWREWPDULQ-BARDWOONSA-N 1 2 385.486 -0.999 20 0 GBADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001636803126 1071101192 /nfs/dbraw/zinc/10/11/92/1071101192.db2.gz ASMMYWREWPDULQ-BARDWOONSA-N 1 2 385.486 -0.999 20 0 GBADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001636803127 1071101048 /nfs/dbraw/zinc/10/10/48/1071101048.db2.gz ASMMYWREWPDULQ-LJISPDSOSA-N 1 2 385.486 -0.999 20 0 GBADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001636803127 1071101041 /nfs/dbraw/zinc/10/10/41/1071101041.db2.gz ASMMYWREWPDULQ-LJISPDSOSA-N 1 2 385.486 -0.999 20 0 GBADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001636803128 1071101531 /nfs/dbraw/zinc/10/15/31/1071101531.db2.gz ASMMYWREWPDULQ-TUVASFSCSA-N 1 2 385.486 -0.999 20 0 GBADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001636803128 1071101527 /nfs/dbraw/zinc/10/15/27/1071101527.db2.gz ASMMYWREWPDULQ-TUVASFSCSA-N 1 2 385.486 -0.999 20 0 GBADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001636803129 1071101236 /nfs/dbraw/zinc/10/12/36/1071101236.db2.gz ASMMYWREWPDULQ-ZQDZILKHSA-N 1 2 385.486 -0.999 20 0 GBADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001636803129 1071101226 /nfs/dbraw/zinc/10/12/26/1071101226.db2.gz ASMMYWREWPDULQ-ZQDZILKHSA-N 1 2 385.486 -0.999 20 0 GBADLO NS(=O)(=O)c1nc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n2ccccc12 ZINC001636803985 1071101309 /nfs/dbraw/zinc/10/13/09/1071101309.db2.gz VXDXSMJLCJFEJX-TXEJJXNPSA-N 1 2 379.442 -0.425 20 0 GBADLO NS(=O)(=O)c1nc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n2ccccc12 ZINC001636803985 1071101301 /nfs/dbraw/zinc/10/13/01/1071101301.db2.gz VXDXSMJLCJFEJX-TXEJJXNPSA-N 1 2 379.442 -0.425 20 0 GBADLO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001636847198 1071103811 /nfs/dbraw/zinc/10/38/11/1071103811.db2.gz JTSRTMRLTIVPMB-DOMZBBRYSA-N 1 2 380.470 -0.364 20 0 GBADLO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001636847199 1071103598 /nfs/dbraw/zinc/10/35/98/1071103598.db2.gz JTSRTMRLTIVPMB-WFASDCNBSA-N 1 2 380.470 -0.364 20 0 GBADLO NS(=O)(=O)c1nc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)n2ccccc12 ZINC001636960078 1071107832 /nfs/dbraw/zinc/10/78/32/1071107832.db2.gz FWUDFIRMKZXFQN-CYBMUJFWSA-N 1 2 393.469 -0.082 20 0 GBADLO NS(=O)(=O)c1nc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)n2ccccc12 ZINC001636960079 1071108267 /nfs/dbraw/zinc/10/82/67/1071108267.db2.gz FWUDFIRMKZXFQN-ZDUSSCGKSA-N 1 2 393.469 -0.082 20 0 GBADLO Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001636992440 1071109294 /nfs/dbraw/zinc/10/92/94/1071109294.db2.gz GWSSIZRVKZKVEG-AWEZNQCLSA-N 1 2 382.442 -0.453 20 0 GBADLO Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001636992441 1071109381 /nfs/dbraw/zinc/10/93/81/1071109381.db2.gz GWSSIZRVKZKVEG-CQSZACIVSA-N 1 2 382.442 -0.453 20 0 GBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC001636993122 1071109349 /nfs/dbraw/zinc/10/93/49/1071109349.db2.gz UMCNKNPUFVGLCW-AWEZNQCLSA-N 1 2 394.453 -0.620 20 0 GBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC001636993123 1071109271 /nfs/dbraw/zinc/10/92/71/1071109271.db2.gz UMCNKNPUFVGLCW-CQSZACIVSA-N 1 2 394.453 -0.620 20 0 GBADLO O=C(Cn1nc2n(c1=O)CCCCC2)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001636993134 1071108803 /nfs/dbraw/zinc/10/88/03/1071108803.db2.gz UUTZNBGLRSXKAG-AWEZNQCLSA-N 1 2 377.445 -0.333 20 0 GBADLO O=C(Cn1nc2n(c1=O)CCCCC2)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001636993135 1071109118 /nfs/dbraw/zinc/10/91/18/1071109118.db2.gz UUTZNBGLRSXKAG-CQSZACIVSA-N 1 2 377.445 -0.333 20 0 GBADLO O=C(COCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1)NCc1cccnc1 ZINC001636993222 1071109442 /nfs/dbraw/zinc/10/94/42/1071109442.db2.gz WIORTLPATZSOFP-INIZCTEOSA-N 1 2 390.440 -0.390 20 0 GBADLO O=C(COCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1)NCc1cccnc1 ZINC001636993223 1071109411 /nfs/dbraw/zinc/10/94/11/1071109411.db2.gz WIORTLPATZSOFP-MRXNPFEDSA-N 1 2 390.440 -0.390 20 0 GBADLO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001636996578 1071109371 /nfs/dbraw/zinc/10/93/71/1071109371.db2.gz CENURRYNUAACFC-QLFBSQMISA-N 1 2 375.425 -0.166 20 0 GBADLO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001636996579 1071109432 /nfs/dbraw/zinc/10/94/32/1071109432.db2.gz CENURRYNUAACFC-ZNMIVQPWSA-N 1 2 375.425 -0.166 20 0 GBADLO CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001636997300 1071109283 /nfs/dbraw/zinc/10/92/83/1071109283.db2.gz VRAABGLLECYTCT-AWEZNQCLSA-N 1 2 397.472 -0.022 20 0 GBADLO CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001636997301 1071109319 /nfs/dbraw/zinc/10/93/19/1071109319.db2.gz VRAABGLLECYTCT-CQSZACIVSA-N 1 2 397.472 -0.022 20 0 GBADLO CS(=O)(=O)N1CCC(CC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)CC1 ZINC001636997455 1071109249 /nfs/dbraw/zinc/10/92/49/1071109249.db2.gz ZXUXLKNUVZVGIJ-HNNXBMFYSA-N 1 2 387.502 -0.056 20 0 GBADLO CS(=O)(=O)N1CCC(CC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)CC1 ZINC001636997456 1071109163 /nfs/dbraw/zinc/10/91/63/1071109163.db2.gz ZXUXLKNUVZVGIJ-OAHLLOKOSA-N 1 2 387.502 -0.056 20 0 GBADLO O=C(NCCCn1ccc(=O)[nH]c1=O)c1cccn1CC[NH+]1CCOCC1 ZINC001636999738 1071110249 /nfs/dbraw/zinc/11/02/49/1071110249.db2.gz LNSHLLKJUHQRDD-UHFFFAOYSA-N 1 2 375.429 -0.097 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC001637057209 1071112806 /nfs/dbraw/zinc/11/28/06/1071112806.db2.gz CYEAVZWGYSDDRV-VIFPVBQESA-N 1 2 398.217 -0.032 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC001637057209 1071112796 /nfs/dbraw/zinc/11/27/96/1071112796.db2.gz CYEAVZWGYSDDRV-VIFPVBQESA-N 1 2 398.217 -0.032 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC001637057827 1071112929 /nfs/dbraw/zinc/11/29/29/1071112929.db2.gz MGMUADGAEZJCRZ-HNNXBMFYSA-N 1 2 391.453 -0.063 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC001637057827 1071112923 /nfs/dbraw/zinc/11/29/23/1071112923.db2.gz MGMUADGAEZJCRZ-HNNXBMFYSA-N 1 2 391.453 -0.063 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001637058532 1071112252 /nfs/dbraw/zinc/11/22/52/1071112252.db2.gz VQDVZVOEWADLMH-HNNXBMFYSA-N 1 2 391.453 -0.063 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001637058532 1071112249 /nfs/dbraw/zinc/11/22/49/1071112249.db2.gz VQDVZVOEWADLMH-HNNXBMFYSA-N 1 2 391.453 -0.063 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC001637058751 1071112174 /nfs/dbraw/zinc/11/21/74/1071112174.db2.gz YXWMHVHJVQHLMX-LBPRGKRZSA-N 1 2 376.417 -0.562 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC001637058751 1071112170 /nfs/dbraw/zinc/11/21/70/1071112170.db2.gz YXWMHVHJVQHLMX-LBPRGKRZSA-N 1 2 376.417 -0.562 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC001637061755 1071112664 /nfs/dbraw/zinc/11/26/64/1071112664.db2.gz ABPTYVYMRNLFSH-NSHDSACASA-N 1 2 385.833 -0.051 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC001637061755 1071112653 /nfs/dbraw/zinc/11/26/53/1071112653.db2.gz ABPTYVYMRNLFSH-NSHDSACASA-N 1 2 385.833 -0.051 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001637061929 1071112296 /nfs/dbraw/zinc/11/22/96/1071112296.db2.gz HUOPAWKIQUCOBA-LBPRGKRZSA-N 1 2 395.441 -0.126 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001637061929 1071112293 /nfs/dbraw/zinc/11/22/93/1071112293.db2.gz HUOPAWKIQUCOBA-LBPRGKRZSA-N 1 2 395.441 -0.126 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(=O)n(C)cc1Br ZINC001637062040 1071112265 /nfs/dbraw/zinc/11/22/65/1071112265.db2.gz MDDZZLZDLOCZIJ-NSHDSACASA-N 1 2 382.218 -0.042 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(=O)n(C)cc1Br ZINC001637062040 1071112262 /nfs/dbraw/zinc/11/22/62/1071112262.db2.gz MDDZZLZDLOCZIJ-NSHDSACASA-N 1 2 382.218 -0.042 20 0 GBADLO CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)cc1 ZINC001637062072 1071112196 /nfs/dbraw/zinc/11/21/96/1071112196.db2.gz NBFIXXPPLJJVSP-HNNXBMFYSA-N 1 2 393.469 -0.276 20 0 GBADLO CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)cc1 ZINC001637062072 1071112192 /nfs/dbraw/zinc/11/21/92/1071112192.db2.gz NBFIXXPPLJJVSP-HNNXBMFYSA-N 1 2 393.469 -0.276 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC001637062093 1071112305 /nfs/dbraw/zinc/11/23/05/1071112305.db2.gz NZALJSUCRPBFBL-JTQLQIEISA-N 1 2 390.425 -0.891 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nc2ncc(Br)cn2n1 ZINC001637062209 1071112847 /nfs/dbraw/zinc/11/28/47/1071112847.db2.gz SVIHTOINZCMQGM-VIFPVBQESA-N 1 2 393.205 -0.303 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nc2ncc(Br)cn2n1 ZINC001637062209 1071112840 /nfs/dbraw/zinc/11/28/40/1071112840.db2.gz SVIHTOINZCMQGM-VIFPVBQESA-N 1 2 393.205 -0.303 20 0 GBADLO COCCOCCc1ncc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)[nH]1 ZINC001637087228 1071114707 /nfs/dbraw/zinc/11/47/07/1071114707.db2.gz MNQYDZAOXLNDGK-UHFFFAOYSA-N 1 2 396.488 -0.086 20 0 GBADLO Cn1ncc2c1n(C)cc(C(=O)N1CCC(O)(C[NH+]3CCOCC3)CC1)c2=O ZINC001637087522 1071114941 /nfs/dbraw/zinc/11/49/41/1071114941.db2.gz VOKVQAMPUPRQJQ-UHFFFAOYSA-N 1 2 389.456 -0.429 20 0 GBADLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1CCCCC1 ZINC001637128270 1071117454 /nfs/dbraw/zinc/11/74/54/1071117454.db2.gz KNXHROYYFBRCPT-ZNMIVQPWSA-N 1 2 387.440 -0.252 20 0 GBADLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1CCCCC1 ZINC001637128270 1071117448 /nfs/dbraw/zinc/11/74/48/1071117448.db2.gz KNXHROYYFBRCPT-ZNMIVQPWSA-N 1 2 387.440 -0.252 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001637188694 1071120198 /nfs/dbraw/zinc/12/01/98/1071120198.db2.gz LYJAEZXYOYLLJP-HNNXBMFYSA-N 1 2 382.486 -0.014 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001637188694 1071120186 /nfs/dbraw/zinc/12/01/86/1071120186.db2.gz LYJAEZXYOYLLJP-HNNXBMFYSA-N 1 2 382.486 -0.014 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001637188695 1071120385 /nfs/dbraw/zinc/12/03/85/1071120385.db2.gz LYJAEZXYOYLLJP-OAHLLOKOSA-N 1 2 382.486 -0.014 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001637188695 1071120378 /nfs/dbraw/zinc/12/03/78/1071120378.db2.gz LYJAEZXYOYLLJP-OAHLLOKOSA-N 1 2 382.486 -0.014 20 0 GBADLO C[C@@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CN(C)CC[N@H+]1C ZINC001637253896 1071122772 /nfs/dbraw/zinc/12/27/72/1071122772.db2.gz XMJNKEALACGHII-BXUZGUMPSA-N 1 2 387.481 -0.093 20 0 GBADLO C[C@@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001637253896 1071122762 /nfs/dbraw/zinc/12/27/62/1071122762.db2.gz XMJNKEALACGHII-BXUZGUMPSA-N 1 2 387.481 -0.093 20 0 GBADLO C[C@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001637253907 1071122809 /nfs/dbraw/zinc/12/28/09/1071122809.db2.gz XMJNKEALACGHII-FZMZJTMJSA-N 1 2 387.481 -0.093 20 0 GBADLO C[C@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001637253907 1071122807 /nfs/dbraw/zinc/12/28/07/1071122807.db2.gz XMJNKEALACGHII-FZMZJTMJSA-N 1 2 387.481 -0.093 20 0 GBADLO C[C@@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001637253909 1071123010 /nfs/dbraw/zinc/12/30/10/1071123010.db2.gz XMJNKEALACGHII-RISCZKNCSA-N 1 2 387.481 -0.093 20 0 GBADLO C[C@@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001637253909 1071123004 /nfs/dbraw/zinc/12/30/04/1071123004.db2.gz XMJNKEALACGHII-RISCZKNCSA-N 1 2 387.481 -0.093 20 0 GBADLO C[C@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CN(C)CC[N@H+]1C ZINC001637253911 1071122914 /nfs/dbraw/zinc/12/29/14/1071122914.db2.gz XMJNKEALACGHII-SMDDNHRTSA-N 1 2 387.481 -0.093 20 0 GBADLO C[C@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001637253911 1071122909 /nfs/dbraw/zinc/12/29/09/1071122909.db2.gz XMJNKEALACGHII-SMDDNHRTSA-N 1 2 387.481 -0.093 20 0 GBADLO Cc1cc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC001637318169 1071124753 /nfs/dbraw/zinc/12/47/53/1071124753.db2.gz TVGNQSIZUOBBQJ-RYUDHWBXSA-N 1 2 375.404 -0.191 20 0 GBADLO Cc1cc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC001637318169 1071124747 /nfs/dbraw/zinc/12/47/47/1071124747.db2.gz TVGNQSIZUOBBQJ-RYUDHWBXSA-N 1 2 375.404 -0.191 20 0 GBADLO CON(C)C(=O)[C@H](C)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001637380762 1071127316 /nfs/dbraw/zinc/12/73/16/1071127316.db2.gz VRRQDJYMPWCYPZ-NSHDSACASA-N 1 2 376.421 -0.397 20 0 GBADLO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001637443795 1071130291 /nfs/dbraw/zinc/13/02/91/1071130291.db2.gz ANDVHUAALNRPRQ-KBPBESRZSA-N 1 2 392.460 -0.588 20 0 GBADLO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001637444188 1071130149 /nfs/dbraw/zinc/13/01/49/1071130149.db2.gz ILARBFIOAUFJFM-RYUDHWBXSA-N 1 2 378.433 -0.317 20 0 GBADLO O=C(Cc1c[nH]c[nH+]1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001637578647 1071136561 /nfs/dbraw/zinc/13/65/61/1071136561.db2.gz FPAQUSWKYMVODH-UHFFFAOYSA-N 1 2 378.410 -0.087 20 0 GBADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CN2C(=O)NC(C)(C)C2=O)cc[nH+]1 ZINC001637579438 1071136369 /nfs/dbraw/zinc/13/63/69/1071136369.db2.gz IXTCDBIGOIARBD-NWDGAFQWSA-N 1 2 376.417 -0.199 20 0 GBADLO CNS(=O)(=O)c1cc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)co1 ZINC001637597207 1071136887 /nfs/dbraw/zinc/13/68/87/1071136887.db2.gz IFDBBSIYQIMOFC-UHFFFAOYSA-N 1 2 387.458 -0.201 20 0 GBADLO NS(=O)(=O)c1ccsc1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001637730848 1071144025 /nfs/dbraw/zinc/14/40/25/1071144025.db2.gz YAJDUWBNIDTKDG-IINYFYTJSA-N 1 2 375.472 -0.649 20 0 GBADLO NS(=O)(=O)c1ccsc1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001637730848 1071144022 /nfs/dbraw/zinc/14/40/22/1071144022.db2.gz YAJDUWBNIDTKDG-IINYFYTJSA-N 1 2 375.472 -0.649 20 0 GBADLO COC(=O)[C@@](C)(CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001637735017 1071143897 /nfs/dbraw/zinc/14/38/97/1071143897.db2.gz IPEPTGBXNRUWDW-GOSISDBHSA-N 1 2 378.429 -0.449 20 0 GBADLO COC(=O)[C@](C)(CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001637735018 1071143641 /nfs/dbraw/zinc/14/36/41/1071143641.db2.gz IPEPTGBXNRUWDW-SFHVURJKSA-N 1 2 378.429 -0.449 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N(CCO)CCOCCO)CC1 ZINC001637753662 1071147335 /nfs/dbraw/zinc/14/73/35/1071147335.db2.gz WGVUQBCBMDCJJZ-UHFFFAOYSA-N 1 2 389.493 -0.195 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N2CCN(CC(N)=O)C(=O)C2)CC1 ZINC001637753888 1071147159 /nfs/dbraw/zinc/14/71/59/1071147159.db2.gz XJEMALBYNHXFMZ-UHFFFAOYSA-N 1 2 397.476 -0.868 20 0 GBADLO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001637765372 1071146860 /nfs/dbraw/zinc/14/68/60/1071146860.db2.gz JBSUICKZHGMSSF-HBUWYVDXSA-N 1 2 385.461 -0.521 20 0 GBADLO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001637765372 1071146857 /nfs/dbraw/zinc/14/68/57/1071146857.db2.gz JBSUICKZHGMSSF-HBUWYVDXSA-N 1 2 385.461 -0.521 20 0 GBADLO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001637765373 1071147250 /nfs/dbraw/zinc/14/72/50/1071147250.db2.gz JBSUICKZHGMSSF-LBTNJELSSA-N 1 2 385.461 -0.521 20 0 GBADLO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001637765373 1071147245 /nfs/dbraw/zinc/14/72/45/1071147245.db2.gz JBSUICKZHGMSSF-LBTNJELSSA-N 1 2 385.461 -0.521 20 0 GBADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CC(S(N)(=O)=O)C2)CC1 ZINC001637805225 1071147907 /nfs/dbraw/zinc/14/79/07/1071147907.db2.gz CZGSLSJDZNWRCL-UHFFFAOYSA-N 1 2 376.479 -0.525 20 0 GBADLO Cn1cc[nH+]c1CCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001637850490 1071150146 /nfs/dbraw/zinc/15/01/46/1071150146.db2.gz WOJPDXNEOZABHQ-AWEZNQCLSA-N 1 2 375.404 -0.179 20 0 GBADLO Cn1cc[nH+]c1CCNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001637850491 1071150297 /nfs/dbraw/zinc/15/02/97/1071150297.db2.gz WOJPDXNEOZABHQ-CQSZACIVSA-N 1 2 375.404 -0.179 20 0 GBADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC001637890901 1071151279 /nfs/dbraw/zinc/15/12/79/1071151279.db2.gz ROVQFHRYBWJJKS-GFCCVEGCSA-N 1 2 375.516 -0.022 20 0 GBADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC001637890901 1071151276 /nfs/dbraw/zinc/15/12/76/1071151276.db2.gz ROVQFHRYBWJJKS-GFCCVEGCSA-N 1 2 375.516 -0.022 20 0 GBADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC001637890902 1071150996 /nfs/dbraw/zinc/15/09/96/1071150996.db2.gz ROVQFHRYBWJJKS-LBPRGKRZSA-N 1 2 375.516 -0.022 20 0 GBADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC001637890902 1071150993 /nfs/dbraw/zinc/15/09/93/1071150993.db2.gz ROVQFHRYBWJJKS-LBPRGKRZSA-N 1 2 375.516 -0.022 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CC1 ZINC001637891530 1071150875 /nfs/dbraw/zinc/15/08/75/1071150875.db2.gz YSXXYRACBAWMCL-UHFFFAOYSA-N 1 2 395.460 -0.255 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)CC1 ZINC001637942516 1071152828 /nfs/dbraw/zinc/15/28/28/1071152828.db2.gz SQYIKEFCTPRHHX-HAQNSBGRSA-N 1 2 393.473 -0.230 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001637965418 1071152922 /nfs/dbraw/zinc/15/29/22/1071152922.db2.gz BEMZKBYKGHUNJH-UHFFFAOYSA-N 1 2 389.449 -0.108 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC001637965934 1071152852 /nfs/dbraw/zinc/15/28/52/1071152852.db2.gz NGLVWCNKXSHXBP-AWEZNQCLSA-N 1 2 375.466 -0.322 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC001637966344 1071152937 /nfs/dbraw/zinc/15/29/37/1071152937.db2.gz UERKXERSEVKAOF-UHFFFAOYSA-N 1 2 391.515 -0.256 20 0 GBADLO Cn1ncc2c1CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001637966351 1071152888 /nfs/dbraw/zinc/15/28/88/1071152888.db2.gz UIKZDIYOLGHWNP-HNNXBMFYSA-N 1 2 375.473 -0.124 20 0 GBADLO Cn1ncc2c1CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001637966352 1071153390 /nfs/dbraw/zinc/15/33/90/1071153390.db2.gz UIKZDIYOLGHWNP-OAHLLOKOSA-N 1 2 375.473 -0.124 20 0 GBADLO COC(=O)c1cn(C)nc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001637983118 1071154375 /nfs/dbraw/zinc/15/43/75/1071154375.db2.gz LWXKJDMLMJBJCT-AWEZNQCLSA-N 1 2 393.444 -0.142 20 0 GBADLO COC(=O)c1cn(C)nc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001637983119 1071154342 /nfs/dbraw/zinc/15/43/42/1071154342.db2.gz LWXKJDMLMJBJCT-CQSZACIVSA-N 1 2 393.444 -0.142 20 0 GBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCN1CCNC1=S ZINC001638000234 1071154293 /nfs/dbraw/zinc/15/42/93/1071154293.db2.gz NKHZNXKLKOJNBF-UHFFFAOYSA-N 1 2 390.513 -0.183 20 0 GBADLO CNS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC001638053797 1071157219 /nfs/dbraw/zinc/15/72/19/1071157219.db2.gz BGOVUMYVRRKARA-UHFFFAOYSA-N 1 2 382.486 -0.169 20 0 GBADLO CNS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC001638053797 1071157212 /nfs/dbraw/zinc/15/72/12/1071157212.db2.gz BGOVUMYVRRKARA-UHFFFAOYSA-N 1 2 382.486 -0.169 20 0 GBADLO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001638058255 1071158353 /nfs/dbraw/zinc/15/83/53/1071158353.db2.gz GIJKLDCYXOBLNY-UHFFFAOYSA-N 1 2 397.520 -0.582 20 0 GBADLO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001638058255 1071158345 /nfs/dbraw/zinc/15/83/45/1071158345.db2.gz GIJKLDCYXOBLNY-UHFFFAOYSA-N 1 2 397.520 -0.582 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC001638058263 1071158189 /nfs/dbraw/zinc/15/81/89/1071158189.db2.gz GSVWRVBYSLFAGY-AWEZNQCLSA-N 1 2 376.461 -0.605 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC001638058263 1071158181 /nfs/dbraw/zinc/15/81/81/1071158181.db2.gz GSVWRVBYSLFAGY-AWEZNQCLSA-N 1 2 376.461 -0.605 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC001638058264 1071158426 /nfs/dbraw/zinc/15/84/26/1071158426.db2.gz GSVWRVBYSLFAGY-CQSZACIVSA-N 1 2 376.461 -0.605 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC001638058264 1071158421 /nfs/dbraw/zinc/15/84/21/1071158421.db2.gz GSVWRVBYSLFAGY-CQSZACIVSA-N 1 2 376.461 -0.605 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1 ZINC001638058685 1071158049 /nfs/dbraw/zinc/15/80/49/1071158049.db2.gz NOHZAKVPILNSNP-UHFFFAOYSA-N 1 2 376.461 -0.451 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1 ZINC001638058685 1071158044 /nfs/dbraw/zinc/15/80/44/1071158044.db2.gz NOHZAKVPILNSNP-UHFFFAOYSA-N 1 2 376.461 -0.451 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cn(CC(=O)OC(C)(C)C)nn2)CC1 ZINC001638058903 1071158226 /nfs/dbraw/zinc/15/82/26/1071158226.db2.gz SLGSTHYVTWAMRX-UHFFFAOYSA-N 1 2 394.476 -0.144 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cn(CC(=O)OC(C)(C)C)nn2)CC1 ZINC001638058903 1071158210 /nfs/dbraw/zinc/15/82/10/1071158210.db2.gz SLGSTHYVTWAMRX-UHFFFAOYSA-N 1 2 394.476 -0.144 20 0 GBADLO O=C(N[C@H]1CCOC1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001638101274 1071158519 /nfs/dbraw/zinc/15/85/19/1071158519.db2.gz QUYJAFRXLAMSKV-ZDUSSCGKSA-N 1 2 376.417 -0.540 20 0 GBADLO O=C(N[C@H]1CCOC1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001638101274 1071158517 /nfs/dbraw/zinc/15/85/17/1071158517.db2.gz QUYJAFRXLAMSKV-ZDUSSCGKSA-N 1 2 376.417 -0.540 20 0 GBADLO Cc1nnc([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)[nH]1 ZINC001638188338 1071161154 /nfs/dbraw/zinc/16/11/54/1071161154.db2.gz MBRFSIUVBQZCLY-CABCVRRESA-N 1 2 376.461 -0.390 20 0 GBADLO Cc1nnc([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)[nH]1 ZINC001638188339 1071161313 /nfs/dbraw/zinc/16/13/13/1071161313.db2.gz MBRFSIUVBQZCLY-GJZGRUSLSA-N 1 2 376.461 -0.390 20 0 GBADLO Cc1nnc([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)[nH]1 ZINC001638188340 1071161269 /nfs/dbraw/zinc/16/12/69/1071161269.db2.gz MBRFSIUVBQZCLY-HUUCEWRRSA-N 1 2 376.461 -0.390 20 0 GBADLO Cc1nnc([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)[nH]1 ZINC001638188341 1071161186 /nfs/dbraw/zinc/16/11/86/1071161186.db2.gz MBRFSIUVBQZCLY-LSDHHAIUSA-N 1 2 376.461 -0.390 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC001638307788 1071167945 /nfs/dbraw/zinc/16/79/45/1071167945.db2.gz ZZWZNPQMFJBDLP-UHFFFAOYSA-N 1 2 379.442 -0.031 20 0 GBADLO CNC(=O)C1(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CCOCC1 ZINC001638437815 1071171908 /nfs/dbraw/zinc/17/19/08/1071171908.db2.gz SZWDPBPGRGXTOK-AWEZNQCLSA-N 1 2 379.461 -0.106 20 0 GBADLO CNC(=O)C1(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CCOCC1 ZINC001638437815 1071171892 /nfs/dbraw/zinc/17/18/92/1071171892.db2.gz SZWDPBPGRGXTOK-AWEZNQCLSA-N 1 2 379.461 -0.106 20 0 GBADLO CNC(=O)C1(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CCOCC1 ZINC001638437816 1071171998 /nfs/dbraw/zinc/17/19/98/1071171998.db2.gz SZWDPBPGRGXTOK-CQSZACIVSA-N 1 2 379.461 -0.106 20 0 GBADLO CNC(=O)C1(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CCOCC1 ZINC001638437816 1071171988 /nfs/dbraw/zinc/17/19/88/1071171988.db2.gz SZWDPBPGRGXTOK-CQSZACIVSA-N 1 2 379.461 -0.106 20 0 GBADLO COC(=O)c1cnc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC001638446396 1071171818 /nfs/dbraw/zinc/17/18/18/1071171818.db2.gz HZKVXIZZGGNVIE-GFCCVEGCSA-N 1 2 396.469 -0.273 20 0 GBADLO COC(=O)c1cnc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC001638446397 1071172067 /nfs/dbraw/zinc/17/20/67/1071172067.db2.gz HZKVXIZZGGNVIE-LBPRGKRZSA-N 1 2 396.469 -0.273 20 0 GBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001638530822 1071178396 /nfs/dbraw/zinc/17/83/96/1071178396.db2.gz QSCXRUNVYFUHQM-JTQLQIEISA-N 1 2 386.503 -0.079 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001638530828 1071178420 /nfs/dbraw/zinc/17/84/20/1071178420.db2.gz QSCXRUNVYFUHQM-SNVBAGLBSA-N 1 2 386.503 -0.079 20 0 GBADLO C/C(=C/C(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001638569060 1071179604 /nfs/dbraw/zinc/17/96/04/1071179604.db2.gz RTQDAKYRIKHTND-LCYFTJDESA-N 1 2 382.461 -0.144 20 0 GBADLO C/C(=C\C(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001638569061 1071179512 /nfs/dbraw/zinc/17/95/12/1071179512.db2.gz RTQDAKYRIKHTND-UKTHLTGXSA-N 1 2 382.461 -0.144 20 0 GBADLO C[C@@]1(C2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)NC(=O)NC1=O ZINC001638587468 1071180839 /nfs/dbraw/zinc/18/08/39/1071180839.db2.gz FCILDWKLGDZKDA-KRWDZBQOSA-N 1 2 395.460 -0.545 20 0 GBADLO C[C@@]1(C2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)NC(=O)NC1=O ZINC001638587468 1071180826 /nfs/dbraw/zinc/18/08/26/1071180826.db2.gz FCILDWKLGDZKDA-KRWDZBQOSA-N 1 2 395.460 -0.545 20 0 GBADLO C[C@]1(C2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)NC(=O)NC1=O ZINC001638587469 1071180923 /nfs/dbraw/zinc/18/09/23/1071180923.db2.gz FCILDWKLGDZKDA-QGZVFWFLSA-N 1 2 395.460 -0.545 20 0 GBADLO C[C@]1(C2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)NC(=O)NC1=O ZINC001638587469 1071180916 /nfs/dbraw/zinc/18/09/16/1071180916.db2.gz FCILDWKLGDZKDA-QGZVFWFLSA-N 1 2 395.460 -0.545 20 0 GBADLO CS(=O)(=O)NCC1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001638588480 1071180574 /nfs/dbraw/zinc/18/05/74/1071180574.db2.gz RPQPZECUQQXSPE-UHFFFAOYSA-N 1 2 390.506 -0.594 20 0 GBADLO CS(=O)(=O)NCC1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001638588480 1071180567 /nfs/dbraw/zinc/18/05/67/1071180567.db2.gz RPQPZECUQQXSPE-UHFFFAOYSA-N 1 2 390.506 -0.594 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001638588792 1071180958 /nfs/dbraw/zinc/18/09/58/1071180958.db2.gz XDBQKOFBJGLDAF-UHFFFAOYSA-N 1 2 379.417 -0.497 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001638588792 1071180954 /nfs/dbraw/zinc/18/09/54/1071180954.db2.gz XDBQKOFBJGLDAF-UHFFFAOYSA-N 1 2 379.417 -0.497 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001638588845 1071180715 /nfs/dbraw/zinc/18/07/15/1071180715.db2.gz YKDWGJCGMZMSBN-AWEZNQCLSA-N 1 2 382.461 -0.892 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001638588845 1071180706 /nfs/dbraw/zinc/18/07/06/1071180706.db2.gz YKDWGJCGMZMSBN-AWEZNQCLSA-N 1 2 382.461 -0.892 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001638588846 1071180988 /nfs/dbraw/zinc/18/09/88/1071180988.db2.gz YKDWGJCGMZMSBN-CQSZACIVSA-N 1 2 382.461 -0.892 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001638588846 1071180985 /nfs/dbraw/zinc/18/09/85/1071180985.db2.gz YKDWGJCGMZMSBN-CQSZACIVSA-N 1 2 382.461 -0.892 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC001638667430 1071182582 /nfs/dbraw/zinc/18/25/82/1071182582.db2.gz WWSYIVSENAETGA-UHFFFAOYSA-N 1 2 379.446 -0.224 20 0 GBADLO C[NH+]1CCC2(CC1)CN(C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1)CCO2 ZINC001638670523 1071183044 /nfs/dbraw/zinc/18/30/44/1071183044.db2.gz CORJNOIPGUCINO-UHFFFAOYSA-N 1 2 386.478 -0.645 20 0 GBADLO CN1CC[NH+](C2CCN(C(=O)NCc3n[nH]c(CS(C)(=O)=O)n3)CC2)CC1 ZINC001638670609 1071183309 /nfs/dbraw/zinc/18/33/09/1071183309.db2.gz FMTOAMWRPGVUAX-UHFFFAOYSA-N 1 2 399.521 -0.729 20 0 GBADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 ZINC001638685088 1071184305 /nfs/dbraw/zinc/18/43/05/1071184305.db2.gz JTBMPPJCWBLLLJ-GFCCVEGCSA-N 1 2 391.453 -0.221 20 0 GBADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 ZINC001638685089 1071183932 /nfs/dbraw/zinc/18/39/32/1071183932.db2.gz JTBMPPJCWBLLLJ-LBPRGKRZSA-N 1 2 391.453 -0.221 20 0 GBADLO CC(C)(C)NS(=O)(=O)CC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001638729708 1071186059 /nfs/dbraw/zinc/18/60/59/1071186059.db2.gz HFUYBAWJUOAWGT-UHFFFAOYSA-N 1 2 377.507 -0.298 20 0 GBADLO Cc1ccn(C[C@](C)(O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c(=O)c1 ZINC001638729793 1071186286 /nfs/dbraw/zinc/18/62/86/1071186286.db2.gz KISWDWSDTWSULS-IBGZPJMESA-N 1 2 393.484 -0.095 20 0 GBADLO Cc1ccn(C[C@@](C)(O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c(=O)c1 ZINC001638729794 1071186094 /nfs/dbraw/zinc/18/60/94/1071186094.db2.gz KISWDWSDTWSULS-LJQANCHMSA-N 1 2 393.484 -0.095 20 0 GBADLO Cc1ncoc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001638869435 1071192767 /nfs/dbraw/zinc/19/27/67/1071192767.db2.gz VKLRXQZSPBVITP-UHFFFAOYSA-N 1 2 386.478 -0.698 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC001638873884 1071192663 /nfs/dbraw/zinc/19/26/63/1071192663.db2.gz LAWITZKVSMMTMR-UHFFFAOYSA-N 1 2 388.877 -0.119 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC001638873884 1071192656 /nfs/dbraw/zinc/19/26/56/1071192656.db2.gz LAWITZKVSMMTMR-UHFFFAOYSA-N 1 2 388.877 -0.119 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001638877124 1071193980 /nfs/dbraw/zinc/19/39/80/1071193980.db2.gz HJFHOOBOKILLMP-UHFFFAOYSA-N 1 2 384.477 -0.050 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001638877124 1071193975 /nfs/dbraw/zinc/19/39/75/1071193975.db2.gz HJFHOOBOKILLMP-UHFFFAOYSA-N 1 2 384.477 -0.050 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]nc2I)CC1 ZINC001638877194 1071193852 /nfs/dbraw/zinc/19/38/52/1071193852.db2.gz KBLKVYSSTCCEHB-UHFFFAOYSA-N 1 2 391.213 -0.092 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]nc2I)CC1 ZINC001638877194 1071193844 /nfs/dbraw/zinc/19/38/44/1071193844.db2.gz KBLKVYSSTCCEHB-UHFFFAOYSA-N 1 2 391.213 -0.092 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCOC(=O)CNC(=O)C(C)(C)C)CC1 ZINC001638877724 1071193878 /nfs/dbraw/zinc/19/38/78/1071193878.db2.gz QSUKGQISNGKUPD-UHFFFAOYSA-N 1 2 384.477 -0.638 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCOC(=O)CNC(=O)C(C)(C)C)CC1 ZINC001638877724 1071193872 /nfs/dbraw/zinc/19/38/72/1071193872.db2.gz QSUKGQISNGKUPD-UHFFFAOYSA-N 1 2 384.477 -0.638 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001638877997 1071194006 /nfs/dbraw/zinc/19/40/06/1071194006.db2.gz UNYAXJPSWBQZNQ-CYBMUJFWSA-N 1 2 394.563 -0.672 20 0 GBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001638877997 1071193999 /nfs/dbraw/zinc/19/39/99/1071193999.db2.gz UNYAXJPSWBQZNQ-CYBMUJFWSA-N 1 2 394.563 -0.672 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001638877998 1071194043 /nfs/dbraw/zinc/19/40/43/1071194043.db2.gz UNYAXJPSWBQZNQ-ZDUSSCGKSA-N 1 2 394.563 -0.672 20 0 GBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001638877998 1071194040 /nfs/dbraw/zinc/19/40/40/1071194040.db2.gz UNYAXJPSWBQZNQ-ZDUSSCGKSA-N 1 2 394.563 -0.672 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 ZINC001638878273 1071194026 /nfs/dbraw/zinc/19/40/26/1071194026.db2.gz YCSUTEKSIJHNQC-UHFFFAOYSA-N 1 2 393.488 -0.337 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 ZINC001638878273 1071194019 /nfs/dbraw/zinc/19/40/19/1071194019.db2.gz YCSUTEKSIJHNQC-UHFFFAOYSA-N 1 2 393.488 -0.337 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)CC1 ZINC001638878312 1071194281 /nfs/dbraw/zinc/19/42/81/1071194281.db2.gz ZEJVNEUQMOXDPG-UHFFFAOYSA-N 1 2 394.497 -0.283 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)CC1 ZINC001638878312 1071194273 /nfs/dbraw/zinc/19/42/73/1071194273.db2.gz ZEJVNEUQMOXDPG-UHFFFAOYSA-N 1 2 394.497 -0.283 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1cnc2n1CCOC2 ZINC001638933737 1071194807 /nfs/dbraw/zinc/19/48/07/1071194807.db2.gz NVAYSFSTJXNCEL-GOSISDBHSA-N 1 2 379.461 -0.172 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1cnc2n1CCOC2 ZINC001638933737 1071194801 /nfs/dbraw/zinc/19/48/01/1071194801.db2.gz NVAYSFSTJXNCEL-GOSISDBHSA-N 1 2 379.461 -0.172 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1cnc2n1CCOC2 ZINC001638933738 1071194947 /nfs/dbraw/zinc/19/49/47/1071194947.db2.gz NVAYSFSTJXNCEL-SFHVURJKSA-N 1 2 379.461 -0.172 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1cnc2n1CCOC2 ZINC001638933738 1071194943 /nfs/dbraw/zinc/19/49/43/1071194943.db2.gz NVAYSFSTJXNCEL-SFHVURJKSA-N 1 2 379.461 -0.172 20 0 GBADLO CN(C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC001638973533 1071195936 /nfs/dbraw/zinc/19/59/36/1071195936.db2.gz LDDKZRKTCNCCNN-UHFFFAOYSA-N 1 2 398.485 -0.158 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001639097392 1071200372 /nfs/dbraw/zinc/20/03/72/1071200372.db2.gz HRLGARXDNTYTOY-UHFFFAOYSA-N 1 2 382.461 -0.440 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 ZINC001639097433 1071199970 /nfs/dbraw/zinc/19/99/70/1071199970.db2.gz INJSUEFFQBPRTQ-UHFFFAOYSA-N 1 2 389.474 -0.252 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC001639098005 1071200167 /nfs/dbraw/zinc/20/01/67/1071200167.db2.gz PSYPILWMXKBVEM-UHFFFAOYSA-N 1 2 377.488 -0.185 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC001639098027 1071200444 /nfs/dbraw/zinc/20/04/44/1071200444.db2.gz QDMLOVOOWLGTTD-UHFFFAOYSA-N 1 2 391.472 -0.563 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC001639098160 1071200406 /nfs/dbraw/zinc/20/04/06/1071200406.db2.gz RPAPDHAJBJPWMU-UHFFFAOYSA-N 1 2 390.440 -0.212 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)CC1 ZINC001639098450 1071200195 /nfs/dbraw/zinc/20/01/95/1071200195.db2.gz XKOZTJYBCFWKKU-UHFFFAOYSA-N 1 2 375.447 -0.345 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC001639098459 1071200250 /nfs/dbraw/zinc/20/02/50/1071200250.db2.gz XRLPYMOZGSAUCF-UHFFFAOYSA-N 1 2 391.428 -0.547 20 0 GBADLO Cc1nc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001639171359 1071202984 /nfs/dbraw/zinc/20/29/84/1071202984.db2.gz YGGKMCGKPSAJKW-MRVPVSSYSA-N 1 2 388.354 -0.149 20 0 GBADLO Cc1nc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001639171359 1071202975 /nfs/dbraw/zinc/20/29/75/1071202975.db2.gz YGGKMCGKPSAJKW-MRVPVSSYSA-N 1 2 388.354 -0.149 20 0 GBADLO Cc1nc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001639171360 1071203107 /nfs/dbraw/zinc/20/31/07/1071203107.db2.gz YGGKMCGKPSAJKW-QMMMGPOBSA-N 1 2 388.354 -0.149 20 0 GBADLO Cc1nc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001639171360 1071203098 /nfs/dbraw/zinc/20/30/98/1071203098.db2.gz YGGKMCGKPSAJKW-QMMMGPOBSA-N 1 2 388.354 -0.149 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001639282755 1071207311 /nfs/dbraw/zinc/20/73/11/1071207311.db2.gz LEIFNWVZTYEIPJ-APWZRJJASA-N 1 2 393.488 -0.611 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001639282755 1071207298 /nfs/dbraw/zinc/20/72/98/1071207298.db2.gz LEIFNWVZTYEIPJ-APWZRJJASA-N 1 2 393.488 -0.611 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001639282757 1071206872 /nfs/dbraw/zinc/20/68/72/1071206872.db2.gz LEIFNWVZTYEIPJ-LPHOPBHVSA-N 1 2 393.488 -0.611 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001639282757 1071206866 /nfs/dbraw/zinc/20/68/66/1071206866.db2.gz LEIFNWVZTYEIPJ-LPHOPBHVSA-N 1 2 393.488 -0.611 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001639282759 1071207474 /nfs/dbraw/zinc/20/74/74/1071207474.db2.gz LEIFNWVZTYEIPJ-QFBILLFUSA-N 1 2 393.488 -0.611 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001639282759 1071207465 /nfs/dbraw/zinc/20/74/65/1071207465.db2.gz LEIFNWVZTYEIPJ-QFBILLFUSA-N 1 2 393.488 -0.611 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001639282761 1071207429 /nfs/dbraw/zinc/20/74/29/1071207429.db2.gz LEIFNWVZTYEIPJ-VQIMIIECSA-N 1 2 393.488 -0.611 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001639282761 1071207418 /nfs/dbraw/zinc/20/74/18/1071207418.db2.gz LEIFNWVZTYEIPJ-VQIMIIECSA-N 1 2 393.488 -0.611 20 0 GBADLO CC(C)(CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC001639287385 1071208393 /nfs/dbraw/zinc/20/83/93/1071208393.db2.gz ZNWYFPBIOHEEBR-AWEZNQCLSA-N 1 2 389.518 -0.503 20 0 GBADLO CC(C)(CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC001639287386 1071208426 /nfs/dbraw/zinc/20/84/26/1071208426.db2.gz ZNWYFPBIOHEEBR-CQSZACIVSA-N 1 2 389.518 -0.503 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001639374003 1071211963 /nfs/dbraw/zinc/21/19/63/1071211963.db2.gz MHZSUVOVJXZUMS-KRWDZBQOSA-N 1 2 393.469 -0.398 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001639374003 1071211950 /nfs/dbraw/zinc/21/19/50/1071211950.db2.gz MHZSUVOVJXZUMS-KRWDZBQOSA-N 1 2 393.469 -0.398 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC001639374009 1071211749 /nfs/dbraw/zinc/21/17/49/1071211749.db2.gz MHZSUVOVJXZUMS-QGZVFWFLSA-N 1 2 393.469 -0.398 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC001639374009 1071211740 /nfs/dbraw/zinc/21/17/40/1071211740.db2.gz MHZSUVOVJXZUMS-QGZVFWFLSA-N 1 2 393.469 -0.398 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC001639380108 1071212750 /nfs/dbraw/zinc/21/27/50/1071212750.db2.gz BOIOLDLGFIHQBR-BXUZGUMPSA-N 1 2 384.396 -0.052 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC001639380108 1071212737 /nfs/dbraw/zinc/21/27/37/1071212737.db2.gz BOIOLDLGFIHQBR-BXUZGUMPSA-N 1 2 384.396 -0.052 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC001639380109 1071212877 /nfs/dbraw/zinc/21/28/77/1071212877.db2.gz BOIOLDLGFIHQBR-SMDDNHRTSA-N 1 2 384.396 -0.052 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC001639380109 1071212871 /nfs/dbraw/zinc/21/28/71/1071212871.db2.gz BOIOLDLGFIHQBR-SMDDNHRTSA-N 1 2 384.396 -0.052 20 0 GBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCc2coc(C[NH+](C)C)n2)c1 ZINC001639454580 1071214117 /nfs/dbraw/zinc/21/41/17/1071214117.db2.gz JPQUXZPDSQIFEM-UHFFFAOYSA-N 1 2 385.446 -0.081 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC1 ZINC001639559907 1071218114 /nfs/dbraw/zinc/21/81/14/1071218114.db2.gz CVCUYPOBEQQOPO-CQSZACIVSA-N 1 2 375.466 -0.321 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001639639570 1071219832 /nfs/dbraw/zinc/21/98/32/1071219832.db2.gz GGFBJGGKQBJQOU-KBPBESRZSA-N 1 2 377.445 -0.388 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1 ZINC001639639571 1071220376 /nfs/dbraw/zinc/22/03/76/1071220376.db2.gz GGFBJGGKQBJQOU-KGLIPLIRSA-N 1 2 377.445 -0.388 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001639639572 1071220262 /nfs/dbraw/zinc/22/02/62/1071220262.db2.gz GGFBJGGKQBJQOU-UONOGXRCSA-N 1 2 377.445 -0.388 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1 ZINC001639639573 1071220009 /nfs/dbraw/zinc/22/00/09/1071220009.db2.gz GGFBJGGKQBJQOU-ZIAGYGMSSA-N 1 2 377.445 -0.388 20 0 GBADLO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)[C@H]1CCSC1 ZINC001639971536 1071231459 /nfs/dbraw/zinc/23/14/59/1071231459.db2.gz QNKPSNZVNIHUKD-BTJONVMOSA-N 1 2 389.543 -0.249 20 0 GBADLO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)[C@H]1CCSC1 ZINC001639971536 1071231446 /nfs/dbraw/zinc/23/14/46/1071231446.db2.gz QNKPSNZVNIHUKD-BTJONVMOSA-N 1 2 389.543 -0.249 20 0 GBADLO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)[C@@H]1CCSC1 ZINC001639971537 1071231544 /nfs/dbraw/zinc/23/15/44/1071231544.db2.gz QNKPSNZVNIHUKD-BWAOXVRWSA-N 1 2 389.543 -0.249 20 0 GBADLO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)[C@@H]1CCSC1 ZINC001639971537 1071231541 /nfs/dbraw/zinc/23/15/41/1071231541.db2.gz QNKPSNZVNIHUKD-BWAOXVRWSA-N 1 2 389.543 -0.249 20 0 GBADLO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)[C@@H]1CCSC1 ZINC001639971538 1071230964 /nfs/dbraw/zinc/23/09/64/1071230964.db2.gz QNKPSNZVNIHUKD-LGESCRJUSA-N 1 2 389.543 -0.249 20 0 GBADLO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)[C@@H]1CCSC1 ZINC001639971538 1071230951 /nfs/dbraw/zinc/23/09/51/1071230951.db2.gz QNKPSNZVNIHUKD-LGESCRJUSA-N 1 2 389.543 -0.249 20 0 GBADLO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)[C@H]1CCSC1 ZINC001639971539 1071231154 /nfs/dbraw/zinc/23/11/54/1071231154.db2.gz QNKPSNZVNIHUKD-WULFKBJJSA-N 1 2 389.543 -0.249 20 0 GBADLO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)[C@H]1CCSC1 ZINC001639971539 1071231145 /nfs/dbraw/zinc/23/11/45/1071231145.db2.gz QNKPSNZVNIHUKD-WULFKBJJSA-N 1 2 389.543 -0.249 20 0 GBADLO CN(C)[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1c[nH+]cn1C ZINC001639971614 1071230809 /nfs/dbraw/zinc/23/08/09/1071230809.db2.gz SGFZZJPWAIMBDF-CLTVELORSA-N 1 2 397.501 -0.650 20 0 GBADLO CN(C)[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1c[nH+]cn1C ZINC001639971615 1071231080 /nfs/dbraw/zinc/23/10/80/1071231080.db2.gz SGFZZJPWAIMBDF-ILQFITNTSA-N 1 2 397.501 -0.650 20 0 GBADLO CN(C)[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1c[nH+]cn1C ZINC001639971616 1071231191 /nfs/dbraw/zinc/23/11/91/1071231191.db2.gz SGFZZJPWAIMBDF-IZXXEFNBSA-N 1 2 397.501 -0.650 20 0 GBADLO CN(C)[C@H](C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1c[nH+]cn1C ZINC001639971617 1071230842 /nfs/dbraw/zinc/23/08/42/1071230842.db2.gz SGFZZJPWAIMBDF-LBSYLANBSA-N 1 2 397.501 -0.650 20 0 GBADLO COc1cc(N)c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1S(C)(=O)=O ZINC001640196256 1071237970 /nfs/dbraw/zinc/23/79/70/1071237970.db2.gz PUMXWXCYCVSMMJ-NEPJUHHUSA-N 1 2 383.470 -0.038 20 0 GBADLO COc1cc(N)c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1S(C)(=O)=O ZINC001640196256 1071237962 /nfs/dbraw/zinc/23/79/62/1071237962.db2.gz PUMXWXCYCVSMMJ-NEPJUHHUSA-N 1 2 383.470 -0.038 20 0 GBADLO COc1cc(N)c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1S(C)(=O)=O ZINC001640196257 1071237935 /nfs/dbraw/zinc/23/79/35/1071237935.db2.gz PUMXWXCYCVSMMJ-NWDGAFQWSA-N 1 2 383.470 -0.038 20 0 GBADLO COc1cc(N)c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1S(C)(=O)=O ZINC001640196257 1071237924 /nfs/dbraw/zinc/23/79/24/1071237924.db2.gz PUMXWXCYCVSMMJ-NWDGAFQWSA-N 1 2 383.470 -0.038 20 0 GBADLO COc1cc(N)c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cc1S(C)(=O)=O ZINC001640196258 1071238180 /nfs/dbraw/zinc/23/81/80/1071238180.db2.gz PUMXWXCYCVSMMJ-RYUDHWBXSA-N 1 2 383.470 -0.038 20 0 GBADLO COc1cc(N)c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1S(C)(=O)=O ZINC001640196258 1071238175 /nfs/dbraw/zinc/23/81/75/1071238175.db2.gz PUMXWXCYCVSMMJ-RYUDHWBXSA-N 1 2 383.470 -0.038 20 0 GBADLO COc1cc(N)c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc1S(C)(=O)=O ZINC001640196259 1071237844 /nfs/dbraw/zinc/23/78/44/1071237844.db2.gz PUMXWXCYCVSMMJ-VXGBXAGGSA-N 1 2 383.470 -0.038 20 0 GBADLO COc1cc(N)c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1S(C)(=O)=O ZINC001640196259 1071237829 /nfs/dbraw/zinc/23/78/29/1071237829.db2.gz PUMXWXCYCVSMMJ-VXGBXAGGSA-N 1 2 383.470 -0.038 20 0 GBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C2 ZINC001640364857 1071243964 /nfs/dbraw/zinc/24/39/64/1071243964.db2.gz FMJYEAIMJWNQBS-GFCCVEGCSA-N 1 2 381.458 -0.308 20 0 GBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C1=CN(C)S(=O)(=O)N=C1C)C2 ZINC001640364858 1071244021 /nfs/dbraw/zinc/24/40/21/1071244021.db2.gz FMJYEAIMJWNQBS-LBPRGKRZSA-N 1 2 381.458 -0.308 20 0 GBADLO COC(=O)[C@H]1CCCN(CC(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)C1=O ZINC001640365096 1071244056 /nfs/dbraw/zinc/24/40/56/1071244056.db2.gz GJHXXTLHCXFUGE-KBPBESRZSA-N 1 2 392.456 -0.431 20 0 GBADLO COC(=O)[C@H]1CCCN(CC(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)C1=O ZINC001640365097 1071243888 /nfs/dbraw/zinc/24/38/88/1071243888.db2.gz GJHXXTLHCXFUGE-KGLIPLIRSA-N 1 2 392.456 -0.431 20 0 GBADLO COC(=O)[C@@H]1CCCN(CC(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)C1=O ZINC001640365098 1071243459 /nfs/dbraw/zinc/24/34/59/1071243459.db2.gz GJHXXTLHCXFUGE-UONOGXRCSA-N 1 2 392.456 -0.431 20 0 GBADLO COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)C1=O ZINC001640365099 1071244207 /nfs/dbraw/zinc/24/42/07/1071244207.db2.gz GJHXXTLHCXFUGE-ZIAGYGMSSA-N 1 2 392.456 -0.431 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)Cc2nc[nH]n2)CC3)CC1 ZINC001640391388 1071245166 /nfs/dbraw/zinc/24/51/66/1071245166.db2.gz IXNWQHSPRNSSNE-CYBMUJFWSA-N 1 2 386.460 -0.690 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)Cc2nc[nH]n2)CC3)CC1 ZINC001640391389 1071245268 /nfs/dbraw/zinc/24/52/68/1071245268.db2.gz IXNWQHSPRNSSNE-ZDUSSCGKSA-N 1 2 386.460 -0.690 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@H]2CC(=O)N2)CC3)CC1 ZINC001640391840 1071244813 /nfs/dbraw/zinc/24/48/13/1071244813.db2.gz XOOBKRWEHCHVSX-KBPBESRZSA-N 1 2 388.472 -0.772 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@H]2CC(=O)N2)CC3)CC1 ZINC001640391841 1071245106 /nfs/dbraw/zinc/24/51/06/1071245106.db2.gz XOOBKRWEHCHVSX-KGLIPLIRSA-N 1 2 388.472 -0.772 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@@H]2CC(=O)N2)CC3)CC1 ZINC001640391842 1071245036 /nfs/dbraw/zinc/24/50/36/1071245036.db2.gz XOOBKRWEHCHVSX-UONOGXRCSA-N 1 2 388.472 -0.772 20 0 GBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@@H]2CC(=O)N2)CC3)CC1 ZINC001640391843 1071244770 /nfs/dbraw/zinc/24/47/70/1071244770.db2.gz XOOBKRWEHCHVSX-ZIAGYGMSSA-N 1 2 388.472 -0.772 20 0 GBADLO Cn1nnnc1CCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001640392281 1071244977 /nfs/dbraw/zinc/24/49/77/1071244977.db2.gz MQSLTECLZDAOSN-UHFFFAOYSA-N 1 2 386.460 -0.217 20 0 GBADLO C[C@]1(C[C@H]2CCCN2C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)NC(=O)NC1=O ZINC001640483356 1071245929 /nfs/dbraw/zinc/24/59/29/1071245929.db2.gz LPTMDZRYQSSJBK-BKEDOTJMSA-N 1 2 394.472 -0.155 20 0 GBADLO C[C@@]1(C[C@H]2CCCN2C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)NC(=O)NC1=O ZINC001640483357 1071245881 /nfs/dbraw/zinc/24/58/81/1071245881.db2.gz LPTMDZRYQSSJBK-CUYVQJCZSA-N 1 2 394.472 -0.155 20 0 GBADLO C[C@]1(C[C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)NC(=O)NC1=O ZINC001640483358 1071245794 /nfs/dbraw/zinc/24/57/94/1071245794.db2.gz LPTMDZRYQSSJBK-QCUYGVNKSA-N 1 2 394.472 -0.155 20 0 GBADLO C[C@@]1(C[C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)NC(=O)NC1=O ZINC001640483359 1071246084 /nfs/dbraw/zinc/24/60/84/1071246084.db2.gz LPTMDZRYQSSJBK-YGTYGHESSA-N 1 2 394.472 -0.155 20 0 GBADLO Cn1cc(C2=NO[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)C2)cn1 ZINC001640726208 1071252211 /nfs/dbraw/zinc/25/22/11/1071252211.db2.gz OKSOLAOODVXLGZ-CRAIPNDOSA-N 1 2 377.445 -0.355 20 0 GBADLO Cn1cc(C2=NO[C@@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)C2)cn1 ZINC001640726208 1071252206 /nfs/dbraw/zinc/25/22/06/1071252206.db2.gz OKSOLAOODVXLGZ-CRAIPNDOSA-N 1 2 377.445 -0.355 20 0 GBADLO Cn1cc(C2=NO[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)C2)cn1 ZINC001640726209 1071251937 /nfs/dbraw/zinc/25/19/37/1071251937.db2.gz OKSOLAOODVXLGZ-MAUKXSAKSA-N 1 2 377.445 -0.355 20 0 GBADLO Cn1cc(C2=NO[C@H](C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)C2)cn1 ZINC001640726209 1071251925 /nfs/dbraw/zinc/25/19/25/1071251925.db2.gz OKSOLAOODVXLGZ-MAUKXSAKSA-N 1 2 377.445 -0.355 20 0 GBADLO Cn1cc(C2=NO[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)C2)cn1 ZINC001640726210 1071252479 /nfs/dbraw/zinc/25/24/79/1071252479.db2.gz OKSOLAOODVXLGZ-QAPCUYQASA-N 1 2 377.445 -0.355 20 0 GBADLO Cn1cc(C2=NO[C@@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)C2)cn1 ZINC001640726210 1071252474 /nfs/dbraw/zinc/25/24/74/1071252474.db2.gz OKSOLAOODVXLGZ-QAPCUYQASA-N 1 2 377.445 -0.355 20 0 GBADLO Cn1cc(C2=NO[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)C2)cn1 ZINC001640726211 1071253121 /nfs/dbraw/zinc/25/31/21/1071253121.db2.gz OKSOLAOODVXLGZ-YJBOKZPZSA-N 1 2 377.445 -0.355 20 0 GBADLO Cn1cc(C2=NO[C@H](C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)C2)cn1 ZINC001640726211 1071253116 /nfs/dbraw/zinc/25/31/16/1071253116.db2.gz OKSOLAOODVXLGZ-YJBOKZPZSA-N 1 2 377.445 -0.355 20 0 GBADLO O=C(CCC(=O)N1CCS(=O)(=O)CCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC001640742982 1071253231 /nfs/dbraw/zinc/25/32/31/1071253231.db2.gz ROEJFTZAAIUWIX-UHFFFAOYSA-N 1 2 396.469 -0.301 20 0 GBADLO CNS(=O)(=O)c1csc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c1 ZINC001640791928 1071254813 /nfs/dbraw/zinc/25/48/13/1071254813.db2.gz FEQAYRNQACKDEO-XHDPSFHLSA-N 1 2 389.499 -0.388 20 0 GBADLO CNS(=O)(=O)c1csc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1 ZINC001640791928 1071254804 /nfs/dbraw/zinc/25/48/04/1071254804.db2.gz FEQAYRNQACKDEO-XHDPSFHLSA-N 1 2 389.499 -0.388 20 0 GBADLO CN(CC(=O)NCC[NH+]1CCC(O)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC001640857646 1071257331 /nfs/dbraw/zinc/25/73/31/1071257331.db2.gz OXPMXRWTMITMNI-UHFFFAOYSA-N 1 2 380.470 -0.360 20 0 GBADLO NS(=O)(=O)c1ccc(NCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC001640932024 1071260028 /nfs/dbraw/zinc/26/00/28/1071260028.db2.gz SQKSNKASAGDECO-GFCCVEGCSA-N 1 2 386.449 -0.182 20 0 GBADLO NS(=O)(=O)c1ccc(NCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC001640932025 1071260467 /nfs/dbraw/zinc/26/04/67/1071260467.db2.gz SQKSNKASAGDECO-LBPRGKRZSA-N 1 2 386.449 -0.182 20 0 GBADLO O=C(N[C@@H](CO)C(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(F)cc1 ZINC001640987794 1071261193 /nfs/dbraw/zinc/26/11/93/1071261193.db2.gz MTHYQZCNKNLKKF-HNNXBMFYSA-N 1 2 381.404 -0.519 20 0 GBADLO O=C(N[C@@H](CO)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(F)cc1 ZINC001640987794 1071261186 /nfs/dbraw/zinc/26/11/86/1071261186.db2.gz MTHYQZCNKNLKKF-HNNXBMFYSA-N 1 2 381.404 -0.519 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC001641194841 1071265811 /nfs/dbraw/zinc/26/58/11/1071265811.db2.gz BMKMENBPWKZOLU-KBPBESRZSA-N 1 2 392.522 -0.954 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC001641194841 1071265794 /nfs/dbraw/zinc/26/57/94/1071265794.db2.gz BMKMENBPWKZOLU-KBPBESRZSA-N 1 2 392.522 -0.954 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC001641194842 1071265349 /nfs/dbraw/zinc/26/53/49/1071265349.db2.gz BMKMENBPWKZOLU-KGLIPLIRSA-N 1 2 392.522 -0.954 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC001641194842 1071265343 /nfs/dbraw/zinc/26/53/43/1071265343.db2.gz BMKMENBPWKZOLU-KGLIPLIRSA-N 1 2 392.522 -0.954 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001641194843 1071265499 /nfs/dbraw/zinc/26/54/99/1071265499.db2.gz BMKMENBPWKZOLU-UONOGXRCSA-N 1 2 392.522 -0.954 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001641194843 1071265495 /nfs/dbraw/zinc/26/54/95/1071265495.db2.gz BMKMENBPWKZOLU-UONOGXRCSA-N 1 2 392.522 -0.954 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001641194844 1071266003 /nfs/dbraw/zinc/26/60/03/1071266003.db2.gz BMKMENBPWKZOLU-ZIAGYGMSSA-N 1 2 392.522 -0.954 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001641194844 1071265990 /nfs/dbraw/zinc/26/59/90/1071265990.db2.gz BMKMENBPWKZOLU-ZIAGYGMSSA-N 1 2 392.522 -0.954 20 0 GBADLO O=C(CN1C(=O)NC2(CC(O)C2)C1=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001641358106 1071268677 /nfs/dbraw/zinc/26/86/77/1071268677.db2.gz KEBIQOUPNZUSGY-UHFFFAOYSA-N 1 2 378.454 -0.162 20 0 GBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](CO)c2c[nH+]cn2C)c1 ZINC001641452238 1071271886 /nfs/dbraw/zinc/27/18/86/1071271886.db2.gz CEZFMKCVWYOLPF-AWEZNQCLSA-N 1 2 380.426 -0.249 20 0 GBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](CO)c2c[nH+]cn2C)c1 ZINC001641452239 1071271686 /nfs/dbraw/zinc/27/16/86/1071271686.db2.gz CEZFMKCVWYOLPF-CQSZACIVSA-N 1 2 380.426 -0.249 20 0 GBADLO CN(CC[N@@H+](C)CCO)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC001641453204 1071271924 /nfs/dbraw/zinc/27/19/24/1071271924.db2.gz IXKCQCKBYRZYFL-UHFFFAOYSA-N 1 2 380.430 -0.906 20 0 GBADLO CN(CC[N@H+](C)CCO)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC001641453204 1071271915 /nfs/dbraw/zinc/27/19/15/1071271915.db2.gz IXKCQCKBYRZYFL-UHFFFAOYSA-N 1 2 380.430 -0.906 20 0 GBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001641457914 1071271833 /nfs/dbraw/zinc/27/18/33/1071271833.db2.gz PYXWPQLKUNVMSL-BPUTZDHNSA-N 1 2 390.415 -0.087 20 0 GBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001641457915 1071271662 /nfs/dbraw/zinc/27/16/62/1071271662.db2.gz PYXWPQLKUNVMSL-CWRNSKLLSA-N 1 2 390.415 -0.087 20 0 GBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001641457916 1071272234 /nfs/dbraw/zinc/27/22/34/1071272234.db2.gz PYXWPQLKUNVMSL-KBMXLJTQSA-N 1 2 390.415 -0.087 20 0 GBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001641457917 1071271757 /nfs/dbraw/zinc/27/17/57/1071271757.db2.gz PYXWPQLKUNVMSL-VNQPRFMTSA-N 1 2 390.415 -0.087 20 0 GBADLO NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3nnc4n3CCOC4)CC2)CC1 ZINC001641519574 1071273330 /nfs/dbraw/zinc/27/33/30/1071273330.db2.gz LRXJVUHJCNRUON-UHFFFAOYSA-N 1 2 376.461 -0.256 20 0 GBADLO CNC(=O)Cc1noc(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1 ZINC001641520451 1071272780 /nfs/dbraw/zinc/27/27/80/1071272780.db2.gz YLQCVPNRFXKENH-UHFFFAOYSA-N 1 2 392.460 -0.706 20 0 GBADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001641669757 1071276985 /nfs/dbraw/zinc/27/69/85/1071276985.db2.gz HZJQHIJTMJXXKA-INIZCTEOSA-N 1 2 386.474 -0.747 20 0 GBADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001641669757 1071276981 /nfs/dbraw/zinc/27/69/81/1071276981.db2.gz HZJQHIJTMJXXKA-INIZCTEOSA-N 1 2 386.474 -0.747 20 0 GBADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001641669758 1071277060 /nfs/dbraw/zinc/27/70/60/1071277060.db2.gz HZJQHIJTMJXXKA-MRXNPFEDSA-N 1 2 386.474 -0.747 20 0 GBADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001641669758 1071277054 /nfs/dbraw/zinc/27/70/54/1071277054.db2.gz HZJQHIJTMJXXKA-MRXNPFEDSA-N 1 2 386.474 -0.747 20 0 GBADLO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001641670007 1071277145 /nfs/dbraw/zinc/27/71/45/1071277145.db2.gz MLDZQXDROZKUHV-DKICVRJWSA-N 1 2 397.516 -0.226 20 0 GBADLO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001641670007 1071277138 /nfs/dbraw/zinc/27/71/38/1071277138.db2.gz MLDZQXDROZKUHV-DKICVRJWSA-N 1 2 397.516 -0.226 20 0 GBADLO C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001641670008 1071276950 /nfs/dbraw/zinc/27/69/50/1071276950.db2.gz MLDZQXDROZKUHV-NBQZKYEYSA-N 1 2 397.516 -0.226 20 0 GBADLO C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001641670008 1071276946 /nfs/dbraw/zinc/27/69/46/1071276946.db2.gz MLDZQXDROZKUHV-NBQZKYEYSA-N 1 2 397.516 -0.226 20 0 GBADLO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001641670009 1071276827 /nfs/dbraw/zinc/27/68/27/1071276827.db2.gz MLDZQXDROZKUHV-UVFQYZLESA-N 1 2 397.516 -0.226 20 0 GBADLO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001641670009 1071276816 /nfs/dbraw/zinc/27/68/16/1071276816.db2.gz MLDZQXDROZKUHV-UVFQYZLESA-N 1 2 397.516 -0.226 20 0 GBADLO C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001641670010 1071277825 /nfs/dbraw/zinc/27/78/25/1071277825.db2.gz MLDZQXDROZKUHV-YYFZDKIDSA-N 1 2 397.516 -0.226 20 0 GBADLO C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001641670010 1071277822 /nfs/dbraw/zinc/27/78/22/1071277822.db2.gz MLDZQXDROZKUHV-YYFZDKIDSA-N 1 2 397.516 -0.226 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC12COCCN1CCOC2 ZINC001641696565 1071277955 /nfs/dbraw/zinc/27/79/55/1071277955.db2.gz DVPWAXOPXULKOV-INIZCTEOSA-N 1 2 393.488 -0.300 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC12COCCN1CCOC2 ZINC001641696565 1071277952 /nfs/dbraw/zinc/27/79/52/1071277952.db2.gz DVPWAXOPXULKOV-INIZCTEOSA-N 1 2 393.488 -0.300 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC12COCCN1CCOC2 ZINC001641696566 1071277762 /nfs/dbraw/zinc/27/77/62/1071277762.db2.gz DVPWAXOPXULKOV-MRXNPFEDSA-N 1 2 393.488 -0.300 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC12COCCN1CCOC2 ZINC001641696566 1071277757 /nfs/dbraw/zinc/27/77/57/1071277757.db2.gz DVPWAXOPXULKOV-MRXNPFEDSA-N 1 2 393.488 -0.300 20 0 GBADLO C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001641718293 1071278782 /nfs/dbraw/zinc/27/87/82/1071278782.db2.gz BOYWYFCGJWXKLR-BHYGNILZSA-N 1 2 383.489 -0.398 20 0 GBADLO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001641718295 1071278950 /nfs/dbraw/zinc/27/89/50/1071278950.db2.gz BOYWYFCGJWXKLR-UAGQMJEPSA-N 1 2 383.489 -0.398 20 0 GBADLO C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001641718296 1071278693 /nfs/dbraw/zinc/27/86/93/1071278693.db2.gz BOYWYFCGJWXKLR-USXIJHARSA-N 1 2 383.489 -0.398 20 0 GBADLO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001641718297 1071278496 /nfs/dbraw/zinc/27/84/96/1071278496.db2.gz BOYWYFCGJWXKLR-XIRDDKMYSA-N 1 2 383.489 -0.398 20 0 GBADLO COCCCn1nc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)ccc1=O ZINC001641719184 1071278635 /nfs/dbraw/zinc/27/86/35/1071278635.db2.gz RBNWOFKSQQAMSP-HNNXBMFYSA-N 1 2 380.445 -0.547 20 0 GBADLO COCCCn1nc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)ccc1=O ZINC001641719188 1071278469 /nfs/dbraw/zinc/27/84/69/1071278469.db2.gz RBNWOFKSQQAMSP-OAHLLOKOSA-N 1 2 380.445 -0.547 20 0 GBADLO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001641719288 1071278543 /nfs/dbraw/zinc/27/85/43/1071278543.db2.gz SAFFDYVBWYOLPH-ILXRZTDVSA-N 1 2 387.477 -0.180 20 0 GBADLO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001641719290 1071278620 /nfs/dbraw/zinc/27/86/20/1071278620.db2.gz SAFFDYVBWYOLPH-KFWWJZLASA-N 1 2 387.477 -0.180 20 0 GBADLO COCC[N@@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@H](C)C(N)=O ZINC001641734142 1071280221 /nfs/dbraw/zinc/28/02/21/1071280221.db2.gz FGIKDCVKSYIUIQ-CHWSQXEVSA-N 1 2 379.523 -0.190 20 0 GBADLO COCC[N@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@H](C)C(N)=O ZINC001641734142 1071280216 /nfs/dbraw/zinc/28/02/16/1071280216.db2.gz FGIKDCVKSYIUIQ-CHWSQXEVSA-N 1 2 379.523 -0.190 20 0 GBADLO COCC[N@@H+](C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@H](C)C(N)=O ZINC001641734143 1071280264 /nfs/dbraw/zinc/28/02/64/1071280264.db2.gz FGIKDCVKSYIUIQ-OLZOCXBDSA-N 1 2 379.523 -0.190 20 0 GBADLO COCC[N@H+](C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@H](C)C(N)=O ZINC001641734143 1071280262 /nfs/dbraw/zinc/28/02/62/1071280262.db2.gz FGIKDCVKSYIUIQ-OLZOCXBDSA-N 1 2 379.523 -0.190 20 0 GBADLO COCC[N@@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@@H](C)C(N)=O ZINC001641734144 1071280149 /nfs/dbraw/zinc/28/01/49/1071280149.db2.gz FGIKDCVKSYIUIQ-QWHCGFSZSA-N 1 2 379.523 -0.190 20 0 GBADLO COCC[N@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@@H](C)C(N)=O ZINC001641734144 1071280143 /nfs/dbraw/zinc/28/01/43/1071280143.db2.gz FGIKDCVKSYIUIQ-QWHCGFSZSA-N 1 2 379.523 -0.190 20 0 GBADLO COCC[N@@H+](C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@@H](C)C(N)=O ZINC001641734145 1071280124 /nfs/dbraw/zinc/28/01/24/1071280124.db2.gz FGIKDCVKSYIUIQ-STQMWFEESA-N 1 2 379.523 -0.190 20 0 GBADLO COCC[N@H+](C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)[C@@H](C)C(N)=O ZINC001641734145 1071280120 /nfs/dbraw/zinc/28/01/20/1071280120.db2.gz FGIKDCVKSYIUIQ-STQMWFEESA-N 1 2 379.523 -0.190 20 0 GBADLO C[C@@H]1C(=O)N(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C(=O)N1C ZINC001641849378 1071283357 /nfs/dbraw/zinc/28/33/57/1071283357.db2.gz KCRYREZYFKLMEP-CYBMUJFWSA-N 1 2 388.428 -0.176 20 0 GBADLO C[C@H]1C(=O)N(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C(=O)N1C ZINC001641849379 1071283314 /nfs/dbraw/zinc/28/33/14/1071283314.db2.gz KCRYREZYFKLMEP-ZDUSSCGKSA-N 1 2 388.428 -0.176 20 0 GBADLO NC(=O)C[NH+]1CCC(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)CC1 ZINC001641884525 1071284135 /nfs/dbraw/zinc/28/41/35/1071284135.db2.gz UKAVLQPQOPEMIG-UHFFFAOYSA-N 1 2 389.387 -0.447 20 0 GBADLO O=S(=O)(Cc1ccon1)N1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC001641917295 1071286169 /nfs/dbraw/zinc/28/61/69/1071286169.db2.gz HOIVGAFSKWEKSV-AWEZNQCLSA-N 1 2 375.447 -0.976 20 0 GBADLO O=S(=O)(Cc1ccon1)N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001641917296 1071285963 /nfs/dbraw/zinc/28/59/63/1071285963.db2.gz HOIVGAFSKWEKSV-CQSZACIVSA-N 1 2 375.447 -0.976 20 0 GBADLO C[C@]1(c2cccc(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)c2)NC(=O)NC1=O ZINC001641922018 1071286263 /nfs/dbraw/zinc/28/62/63/1071286263.db2.gz AFDZLNAEUYMPBI-GOSISDBHSA-N 1 2 388.424 -0.080 20 0 GBADLO C[C@]1(c2cccc(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)c2)NC(=O)NC1=O ZINC001641922018 1071286254 /nfs/dbraw/zinc/28/62/54/1071286254.db2.gz AFDZLNAEUYMPBI-GOSISDBHSA-N 1 2 388.424 -0.080 20 0 GBADLO C[C@@]1(c2cccc(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)c2)NC(=O)NC1=O ZINC001641922019 1071286519 /nfs/dbraw/zinc/28/65/19/1071286519.db2.gz AFDZLNAEUYMPBI-SFHVURJKSA-N 1 2 388.424 -0.080 20 0 GBADLO C[C@@]1(c2cccc(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)c2)NC(=O)NC1=O ZINC001641922019 1071286509 /nfs/dbraw/zinc/28/65/09/1071286509.db2.gz AFDZLNAEUYMPBI-SFHVURJKSA-N 1 2 388.424 -0.080 20 0 GBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c1 ZINC001642151974 1071289875 /nfs/dbraw/zinc/28/98/75/1071289875.db2.gz GVTKTWDGNXUQAH-HNNXBMFYSA-N 1 2 396.473 -0.540 20 0 GBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c1 ZINC001642151975 1071290319 /nfs/dbraw/zinc/29/03/19/1071290319.db2.gz GVTKTWDGNXUQAH-OAHLLOKOSA-N 1 2 396.473 -0.540 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC[NH2+]2)cn1 ZINC001642152259 1071290363 /nfs/dbraw/zinc/29/03/63/1071290363.db2.gz OXMBLXSALCDORA-KBPBESRZSA-N 1 2 376.392 -0.782 20 0 GBADLO Cn1cc([C@H]2CN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC[NH2+]2)cn1 ZINC001642152260 1071290301 /nfs/dbraw/zinc/29/03/01/1071290301.db2.gz OXMBLXSALCDORA-KGLIPLIRSA-N 1 2 376.392 -0.782 20 0 GBADLO Cn1cc([C@H]2CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC[NH2+]2)cn1 ZINC001642152308 1071290341 /nfs/dbraw/zinc/29/03/41/1071290341.db2.gz QXFPKNLCHUHBLX-CYBMUJFWSA-N 1 2 380.449 -0.466 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC[NH2+]2)cn1 ZINC001642152309 1071290438 /nfs/dbraw/zinc/29/04/38/1071290438.db2.gz QXFPKNLCHUHBLX-ZDUSSCGKSA-N 1 2 380.449 -0.466 20 0 GBADLO O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001642162047 1071290248 /nfs/dbraw/zinc/29/02/48/1071290248.db2.gz YXMMHXLDTDJUPY-CYBMUJFWSA-N 1 2 375.410 -0.273 20 0 GBADLO O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001642162048 1071290392 /nfs/dbraw/zinc/29/03/92/1071290392.db2.gz YXMMHXLDTDJUPY-ZDUSSCGKSA-N 1 2 375.410 -0.273 20 0 GBADLO Cn1c[nH+]c(CCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 ZINC001642291624 1071293394 /nfs/dbraw/zinc/29/33/94/1071293394.db2.gz NWPYCBLLTVKZPJ-UHFFFAOYSA-N 1 2 393.469 -0.123 20 0 GBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC001642295671 1071293146 /nfs/dbraw/zinc/29/31/46/1071293146.db2.gz YUFHDKSQOOKXBR-LLVKDONJSA-N 1 2 379.442 -0.455 20 0 GBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC001642295676 1071293185 /nfs/dbraw/zinc/29/31/85/1071293185.db2.gz YUFHDKSQOOKXBR-NSHDSACASA-N 1 2 379.442 -0.455 20 0 GBADLO NS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cn1 ZINC001642332496 1071294078 /nfs/dbraw/zinc/29/40/78/1071294078.db2.gz RWVYQFATCNGHFK-UHFFFAOYSA-N 1 2 384.458 -0.660 20 0 GBADLO C[C@@](O)(Cn1ccccc1=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001642339207 1071294346 /nfs/dbraw/zinc/29/43/46/1071294346.db2.gz SVDMBRQGFDWFAV-GOSISDBHSA-N 1 2 379.457 -0.403 20 0 GBADLO C[C@](O)(Cn1ccccc1=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001642339208 1071294250 /nfs/dbraw/zinc/29/42/50/1071294250.db2.gz SVDMBRQGFDWFAV-SFHVURJKSA-N 1 2 379.457 -0.403 20 0 GBADLO COc1ccc(S(=O)(=O)NCC(=O)N[C@H](CO)c2c[nH+]cn2C)cc1OC ZINC001642421558 1071296802 /nfs/dbraw/zinc/29/68/02/1071296802.db2.gz CEABGTUCYZITJN-GFCCVEGCSA-N 1 2 398.441 -0.435 20 0 GBADLO COc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1OC ZINC001642421559 1071296817 /nfs/dbraw/zinc/29/68/17/1071296817.db2.gz CEABGTUCYZITJN-LBPRGKRZSA-N 1 2 398.441 -0.435 20 0 GBADLO COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1 ZINC001642421609 1071296746 /nfs/dbraw/zinc/29/67/46/1071296746.db2.gz DKHYDWLZIDWOFC-AWEZNQCLSA-N 1 2 382.442 -0.192 20 0 GBADLO COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1 ZINC001642421610 1071296720 /nfs/dbraw/zinc/29/67/20/1071296720.db2.gz DKHYDWLZIDWOFC-CQSZACIVSA-N 1 2 382.442 -0.192 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001642421647 1071297019 /nfs/dbraw/zinc/29/70/19/1071297019.db2.gz FPQVCWDPMZSIKS-CMPLNLGQSA-N 1 2 384.462 -0.713 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001642421648 1071296786 /nfs/dbraw/zinc/29/67/86/1071296786.db2.gz FPQVCWDPMZSIKS-JQWIXIFHSA-N 1 2 384.462 -0.713 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001642421649 1071298175 /nfs/dbraw/zinc/29/81/75/1071298175.db2.gz FPQVCWDPMZSIKS-PWSUYJOCSA-N 1 2 384.462 -0.713 20 0 GBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001642421650 1071298084 /nfs/dbraw/zinc/29/80/84/1071298084.db2.gz FPQVCWDPMZSIKS-ZYHUDNBSSA-N 1 2 384.462 -0.713 20 0 GBADLO COCCn1cc(N2C[C@@H](C(=O)N[C@H](CO)c3c[nH+]cn3C)CC2=O)cn1 ZINC001642426207 1071297550 /nfs/dbraw/zinc/29/75/50/1071297550.db2.gz BYMDLCRHPSRXCU-GXTWGEPZSA-N 1 2 376.417 -0.534 20 0 GBADLO COCCn1cc(N2C[C@@H](C(=O)N[C@@H](CO)c3c[nH+]cn3C)CC2=O)cn1 ZINC001642426208 1071298183 /nfs/dbraw/zinc/29/81/83/1071298183.db2.gz BYMDLCRHPSRXCU-JSGCOSHPSA-N 1 2 376.417 -0.534 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)N[C@@H](CO)c3c[nH+]cn3C)CC2=O)cn1 ZINC001642426209 1071298069 /nfs/dbraw/zinc/29/80/69/1071298069.db2.gz BYMDLCRHPSRXCU-OCCSQVGLSA-N 1 2 376.417 -0.534 20 0 GBADLO COCCn1cc(N2C[C@H](C(=O)N[C@H](CO)c3c[nH+]cn3C)CC2=O)cn1 ZINC001642426210 1071298144 /nfs/dbraw/zinc/29/81/44/1071298144.db2.gz BYMDLCRHPSRXCU-TZMCWYRMSA-N 1 2 376.417 -0.534 20 0 GBADLO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001642502069 1071300772 /nfs/dbraw/zinc/30/07/72/1071300772.db2.gz SOXYRYNCTHSQKI-KBPBESRZSA-N 1 2 384.477 -0.411 20 0 GBADLO C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001642502069 1071300763 /nfs/dbraw/zinc/30/07/63/1071300763.db2.gz SOXYRYNCTHSQKI-KBPBESRZSA-N 1 2 384.477 -0.411 20 0 GBADLO C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001642502070 1071300349 /nfs/dbraw/zinc/30/03/49/1071300349.db2.gz SOXYRYNCTHSQKI-KGLIPLIRSA-N 1 2 384.477 -0.411 20 0 GBADLO C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001642502070 1071300330 /nfs/dbraw/zinc/30/03/30/1071300330.db2.gz SOXYRYNCTHSQKI-KGLIPLIRSA-N 1 2 384.477 -0.411 20 0 GBADLO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001642502071 1071300605 /nfs/dbraw/zinc/30/06/05/1071300605.db2.gz SOXYRYNCTHSQKI-UONOGXRCSA-N 1 2 384.477 -0.411 20 0 GBADLO C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001642502071 1071300597 /nfs/dbraw/zinc/30/05/97/1071300597.db2.gz SOXYRYNCTHSQKI-UONOGXRCSA-N 1 2 384.477 -0.411 20 0 GBADLO C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001642502072 1071300406 /nfs/dbraw/zinc/30/04/06/1071300406.db2.gz SOXYRYNCTHSQKI-ZIAGYGMSSA-N 1 2 384.477 -0.411 20 0 GBADLO C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001642502072 1071300391 /nfs/dbraw/zinc/30/03/91/1071300391.db2.gz SOXYRYNCTHSQKI-ZIAGYGMSSA-N 1 2 384.477 -0.411 20 0 GBADLO NS(=O)(=O)N1CCC(NC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC001642515524 1071301428 /nfs/dbraw/zinc/30/14/28/1071301428.db2.gz WMCXKNQWOUTDRT-UHFFFAOYSA-N 1 2 382.486 -0.084 20 0 GBADLO CCOCCS(=O)(=O)NCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC001642532509 1071302593 /nfs/dbraw/zinc/30/25/93/1071302593.db2.gz DQHMSVRTTCEYGN-UHFFFAOYSA-N 1 2 385.490 -0.272 20 0 GBADLO CCOCCS(=O)(=O)NCC(=O)Nc1cc(N2CCN(C)CC2)cc[nH+]1 ZINC001642532509 1071302572 /nfs/dbraw/zinc/30/25/72/1071302572.db2.gz DQHMSVRTTCEYGN-UHFFFAOYSA-N 1 2 385.490 -0.272 20 0 GBADLO C[NH+]1CCN(c2ccnc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)c2)CC1 ZINC001642532991 1071302864 /nfs/dbraw/zinc/30/28/64/1071302864.db2.gz OKGOKOWZGCWLQH-UHFFFAOYSA-N 1 2 379.446 -0.684 20 0 GBADLO COCCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)cc2S1(=O)=O ZINC001642571906 1071304334 /nfs/dbraw/zinc/30/43/34/1071304334.db2.gz HQIRZCBMYOPTIR-CYBMUJFWSA-N 1 2 397.453 -0.774 20 0 GBADLO COCCN1C(=O)c2ccc(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)cc2S1(=O)=O ZINC001642571906 1071304326 /nfs/dbraw/zinc/30/43/26/1071304326.db2.gz HQIRZCBMYOPTIR-CYBMUJFWSA-N 1 2 397.453 -0.774 20 0 GBADLO COCCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)cc2S1(=O)=O ZINC001642571912 1071304209 /nfs/dbraw/zinc/30/42/09/1071304209.db2.gz HQIRZCBMYOPTIR-ZDUSSCGKSA-N 1 2 397.453 -0.774 20 0 GBADLO COCCN1C(=O)c2ccc(C(=O)N3CC[N@H+](C)[C@H](CO)C3)cc2S1(=O)=O ZINC001642571912 1071304198 /nfs/dbraw/zinc/30/41/98/1071304198.db2.gz HQIRZCBMYOPTIR-ZDUSSCGKSA-N 1 2 397.453 -0.774 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001642572554 1071303899 /nfs/dbraw/zinc/30/38/99/1071303899.db2.gz MBBCKKLKFWUATL-AWEZNQCLSA-N 1 2 379.461 -0.605 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001642572554 1071303892 /nfs/dbraw/zinc/30/38/92/1071303892.db2.gz MBBCKKLKFWUATL-AWEZNQCLSA-N 1 2 379.461 -0.605 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001642572556 1071304030 /nfs/dbraw/zinc/30/40/30/1071304030.db2.gz MBBCKKLKFWUATL-CQSZACIVSA-N 1 2 379.461 -0.605 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001642572556 1071304015 /nfs/dbraw/zinc/30/40/15/1071304015.db2.gz MBBCKKLKFWUATL-CQSZACIVSA-N 1 2 379.461 -0.605 20 0 GBADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC(C(=O)NCCO)CC2)CC1 ZINC001642591844 1071305157 /nfs/dbraw/zinc/30/51/57/1071305157.db2.gz YUBUXBOFQIERSV-UHFFFAOYSA-N 1 2 377.489 -0.021 20 0 GBADLO CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C(COC)COC)CC2)cn1 ZINC001642630648 1071304836 /nfs/dbraw/zinc/30/48/36/1071304836.db2.gz HOISWIDZDAHFCC-UHFFFAOYSA-N 1 2 386.474 -0.591 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC001642630901 1071305288 /nfs/dbraw/zinc/30/52/88/1071305288.db2.gz PBADIQPNGMADRL-UHFFFAOYSA-N 1 2 389.449 -0.108 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)c2ccsc2S(N)(=O)=O)CC1 ZINC001642630918 1071304976 /nfs/dbraw/zinc/30/49/76/1071304976.db2.gz PIETXUDPMGTFCR-UHFFFAOYSA-N 1 2 377.488 -0.185 20 0 GBADLO NS(=O)(=O)c1ccc(OCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001642661699 1071306390 /nfs/dbraw/zinc/30/63/90/1071306390.db2.gz BWOUDKUVRPJHGP-HNNXBMFYSA-N 1 2 399.469 -0.728 20 0 GBADLO NS(=O)(=O)c1ccc(OCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001642661700 1071306312 /nfs/dbraw/zinc/30/63/12/1071306312.db2.gz BWOUDKUVRPJHGP-OAHLLOKOSA-N 1 2 399.469 -0.728 20 0 GBADLO CNC(=O)[C@H]1C[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001642681317 1071307413 /nfs/dbraw/zinc/30/74/13/1071307413.db2.gz FTXNFOWJRCWTPM-CHWSQXEVSA-N 1 2 377.507 -0.565 20 0 GBADLO CNC(=O)[C@H]1C[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001642681317 1071307399 /nfs/dbraw/zinc/30/73/99/1071307399.db2.gz FTXNFOWJRCWTPM-CHWSQXEVSA-N 1 2 377.507 -0.565 20 0 GBADLO CNC(=O)[C@H]1C[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001642681318 1071307134 /nfs/dbraw/zinc/30/71/34/1071307134.db2.gz FTXNFOWJRCWTPM-OLZOCXBDSA-N 1 2 377.507 -0.565 20 0 GBADLO CNC(=O)[C@H]1C[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001642681318 1071307118 /nfs/dbraw/zinc/30/71/18/1071307118.db2.gz FTXNFOWJRCWTPM-OLZOCXBDSA-N 1 2 377.507 -0.565 20 0 GBADLO CNC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001642681319 1071307314 /nfs/dbraw/zinc/30/73/14/1071307314.db2.gz FTXNFOWJRCWTPM-QWHCGFSZSA-N 1 2 377.507 -0.565 20 0 GBADLO CNC(=O)[C@@H]1C[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001642681319 1071307299 /nfs/dbraw/zinc/30/72/99/1071307299.db2.gz FTXNFOWJRCWTPM-QWHCGFSZSA-N 1 2 377.507 -0.565 20 0 GBADLO CNC(=O)[C@@H]1C[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001642681320 1071307207 /nfs/dbraw/zinc/30/72/07/1071307207.db2.gz FTXNFOWJRCWTPM-STQMWFEESA-N 1 2 377.507 -0.565 20 0 GBADLO CNC(=O)[C@@H]1C[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001642681320 1071307201 /nfs/dbraw/zinc/30/72/01/1071307201.db2.gz FTXNFOWJRCWTPM-STQMWFEESA-N 1 2 377.507 -0.565 20 0 GBADLO NS(=O)(=O)c1cnn(CC(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC001642722419 1071307540 /nfs/dbraw/zinc/30/75/40/1071307540.db2.gz UEOMPKXXITVVDQ-UHFFFAOYSA-N 1 2 379.442 -0.420 20 0 GBADLO COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1C ZINC001642789422 1071309513 /nfs/dbraw/zinc/30/95/13/1071309513.db2.gz FNZSNIONFCIRHL-GFCCVEGCSA-N 1 2 379.417 -0.674 20 0 GBADLO COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1C ZINC001642789423 1071309968 /nfs/dbraw/zinc/30/99/68/1071309968.db2.gz FNZSNIONFCIRHL-LBPRGKRZSA-N 1 2 379.417 -0.674 20 0 GBADLO CCS(=O)(=O)CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001642816867 1071310784 /nfs/dbraw/zinc/31/07/84/1071310784.db2.gz PALXNRLFLYAQLM-AWEZNQCLSA-N 1 2 375.491 -0.892 20 0 GBADLO CCS(=O)(=O)CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001642816884 1071311055 /nfs/dbraw/zinc/31/10/55/1071311055.db2.gz PALXNRLFLYAQLM-CQSZACIVSA-N 1 2 375.491 -0.892 20 0 GBADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC(NS(N)(=O)=O)C1)CC2 ZINC001642821200 1071310889 /nfs/dbraw/zinc/31/08/89/1071310889.db2.gz GNTHXMZCFLZWQB-UHFFFAOYSA-N 1 2 384.458 -0.934 20 0 GBADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC(NS(N)(=O)=O)C1)CC2 ZINC001642821200 1071310874 /nfs/dbraw/zinc/31/08/74/1071310874.db2.gz GNTHXMZCFLZWQB-UHFFFAOYSA-N 1 2 384.458 -0.934 20 0 GBADLO COc1cccc(C[NH+]2CCN(C(=O)[C@@H](C)NC(=O)Cn3cnnn3)CC2)c1 ZINC001642864085 1071312754 /nfs/dbraw/zinc/31/27/54/1071312754.db2.gz JNQLUSWGOQRLTO-CQSZACIVSA-N 1 2 387.444 -0.469 20 0 GBADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC001642908758 1071314466 /nfs/dbraw/zinc/31/44/66/1071314466.db2.gz QOZUZCAWRPOCRF-HUUCEWRRSA-N 1 2 392.437 -0.200 20 0 GBADLO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001642912507 1071314734 /nfs/dbraw/zinc/31/47/34/1071314734.db2.gz IBCMOWSNIVGBER-KRWDZBQOSA-N 1 2 379.505 -0.648 20 0 GBADLO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001642912508 1071314675 /nfs/dbraw/zinc/31/46/75/1071314675.db2.gz IBCMOWSNIVGBER-QGZVFWFLSA-N 1 2 379.505 -0.648 20 0 GBADLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001643011625 1071318533 /nfs/dbraw/zinc/31/85/33/1071318533.db2.gz SXZCWLUNKPEPRL-CYBMUJFWSA-N 1 2 379.475 -0.669 20 0 GBADLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC001643011626 1071319516 /nfs/dbraw/zinc/31/95/16/1071319516.db2.gz SXZCWLUNKPEPRL-ZDUSSCGKSA-N 1 2 379.475 -0.669 20 0 GBADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001643013319 1071318839 /nfs/dbraw/zinc/31/88/39/1071318839.db2.gz IIMLQFIYNIBSQU-CYBMUJFWSA-N 1 2 380.426 -0.032 20 0 GBADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001643013320 1071318749 /nfs/dbraw/zinc/31/87/49/1071318749.db2.gz IIMLQFIYNIBSQU-ZDUSSCGKSA-N 1 2 380.426 -0.032 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001643068698 1071320427 /nfs/dbraw/zinc/32/04/27/1071320427.db2.gz LMSHANHLWNAMMR-GFCCVEGCSA-N 1 2 398.485 -0.424 20 0 GBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(O)(C(N)=O)CC1 ZINC001643068699 1071320693 /nfs/dbraw/zinc/32/06/93/1071320693.db2.gz LMSHANHLWNAMMR-LBPRGKRZSA-N 1 2 398.485 -0.424 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC[NH2+]2)cn1 ZINC001643080453 1071320575 /nfs/dbraw/zinc/32/05/75/1071320575.db2.gz HWGHPVIFXDDNEW-HNNXBMFYSA-N 1 2 396.448 -0.208 20 0 GBADLO Cn1cc([C@H]2CN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC[NH2+]2)cn1 ZINC001643080454 1071320668 /nfs/dbraw/zinc/32/06/68/1071320668.db2.gz HWGHPVIFXDDNEW-OAHLLOKOSA-N 1 2 396.448 -0.208 20 0 GBADLO Cn1cc([C@H]2CN(C(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)CC[NH2+]2)cn1 ZINC001643080503 1071320461 /nfs/dbraw/zinc/32/04/61/1071320461.db2.gz JIJSWSSQJNGULM-LLVKDONJSA-N 1 2 386.416 -0.799 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)CC[NH2+]2)cn1 ZINC001643080504 1071320295 /nfs/dbraw/zinc/32/02/95/1071320295.db2.gz JIJSWSSQJNGULM-NSHDSACASA-N 1 2 386.416 -0.799 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)cn1 ZINC001643080799 1071320538 /nfs/dbraw/zinc/32/05/38/1071320538.db2.gz SLCNTFMHDPKTQO-AWEZNQCLSA-N 1 2 378.458 -0.148 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)cn1 ZINC001643080800 1071320089 /nfs/dbraw/zinc/32/00/89/1071320089.db2.gz SLCNTFMHDPKTQO-CQSZACIVSA-N 1 2 378.458 -0.148 20 0 GBADLO COC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC001643117468 1071321370 /nfs/dbraw/zinc/32/13/70/1071321370.db2.gz ROQSDIXUSPQESU-INIZCTEOSA-N 1 2 387.458 -0.388 20 0 GBADLO COC[C@@]1(CO)CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC001643117468 1071321356 /nfs/dbraw/zinc/32/13/56/1071321356.db2.gz ROQSDIXUSPQESU-INIZCTEOSA-N 1 2 387.458 -0.388 20 0 GBADLO COC[C@]1(CO)CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC001643117469 1071321284 /nfs/dbraw/zinc/32/12/84/1071321284.db2.gz ROQSDIXUSPQESU-MRXNPFEDSA-N 1 2 387.458 -0.388 20 0 GBADLO COC[C@]1(CO)CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1 ZINC001643117469 1071321271 /nfs/dbraw/zinc/32/12/71/1071321271.db2.gz ROQSDIXUSPQESU-MRXNPFEDSA-N 1 2 387.458 -0.388 20 0 GBADLO COc1cc(C(=O)NCC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)cc(OC)c1OC ZINC001643132827 1071323087 /nfs/dbraw/zinc/32/30/87/1071323087.db2.gz OPISVGRTVUVOBW-ZDUSSCGKSA-N 1 2 392.412 -0.115 20 0 GBADLO COc1cc(C(=O)NCC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)cc(OC)c1OC ZINC001643132827 1071323074 /nfs/dbraw/zinc/32/30/74/1071323074.db2.gz OPISVGRTVUVOBW-ZDUSSCGKSA-N 1 2 392.412 -0.115 20 0 GBADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001643132945 1071322861 /nfs/dbraw/zinc/32/28/61/1071322861.db2.gz SYDJVUOKFCSCRU-HNNXBMFYSA-N 1 2 393.469 -0.075 20 0 GBADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC001643132945 1071322845 /nfs/dbraw/zinc/32/28/45/1071322845.db2.gz SYDJVUOKFCSCRU-HNNXBMFYSA-N 1 2 393.469 -0.075 20 0 GBADLO O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001643133086 1071323512 /nfs/dbraw/zinc/32/35/12/1071323512.db2.gz ZMBDWAICNPNNLX-HNNXBMFYSA-N 1 2 394.453 -0.236 20 0 GBADLO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001643133086 1071323493 /nfs/dbraw/zinc/32/34/93/1071323493.db2.gz ZMBDWAICNPNNLX-HNNXBMFYSA-N 1 2 394.453 -0.236 20 0 GBADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001643136512 1071322319 /nfs/dbraw/zinc/32/23/19/1071322319.db2.gz WXLNVNHPYPEFED-KBPBESRZSA-N 1 2 395.460 -0.055 20 0 GBADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001643136512 1071322304 /nfs/dbraw/zinc/32/23/04/1071322304.db2.gz WXLNVNHPYPEFED-KBPBESRZSA-N 1 2 395.460 -0.055 20 0 GBADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001643136522 1071322245 /nfs/dbraw/zinc/32/22/45/1071322245.db2.gz WXLNVNHPYPEFED-UONOGXRCSA-N 1 2 395.460 -0.055 20 0 GBADLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001643136522 1071322229 /nfs/dbraw/zinc/32/22/29/1071322229.db2.gz WXLNVNHPYPEFED-UONOGXRCSA-N 1 2 395.460 -0.055 20 0 GBADLO Nc1[nH+]ccc2c1CN(C(=O)[C@@H]1CC(=O)N([C@@H]3CCS(=O)(=O)C3)C1)CC2 ZINC001643138213 1071323413 /nfs/dbraw/zinc/32/34/13/1071323413.db2.gz IHFOTRJDDBKZFX-CHWSQXEVSA-N 1 2 378.454 -0.416 20 0 GBADLO Nc1[nH+]ccc2c1CN(C(=O)[C@@H]1CC(=O)N([C@H]3CCS(=O)(=O)C3)C1)CC2 ZINC001643138214 1071323198 /nfs/dbraw/zinc/32/31/98/1071323198.db2.gz IHFOTRJDDBKZFX-OLZOCXBDSA-N 1 2 378.454 -0.416 20 0 GBADLO Nc1[nH+]ccc2c1CN(C(=O)[C@H]1CC(=O)N([C@@H]3CCS(=O)(=O)C3)C1)CC2 ZINC001643138215 1071322760 /nfs/dbraw/zinc/32/27/60/1071322760.db2.gz IHFOTRJDDBKZFX-QWHCGFSZSA-N 1 2 378.454 -0.416 20 0 GBADLO Nc1[nH+]ccc2c1CN(C(=O)[C@H]1CC(=O)N([C@H]3CCS(=O)(=O)C3)C1)CC2 ZINC001643138216 1071323597 /nfs/dbraw/zinc/32/35/97/1071323597.db2.gz IHFOTRJDDBKZFX-STQMWFEESA-N 1 2 378.454 -0.416 20 0 GBADLO O=CN1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC001643224914 1071326406 /nfs/dbraw/zinc/32/64/06/1071326406.db2.gz SBYJEXNEFXOKFN-UHFFFAOYSA-N 1 2 388.468 -0.061 20 0 GBADLO O=CN1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC001643224914 1071326391 /nfs/dbraw/zinc/32/63/91/1071326391.db2.gz SBYJEXNEFXOKFN-UHFFFAOYSA-N 1 2 388.468 -0.061 20 0 GBADLO COC(=O)CCNC(=O)CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC001643334176 1071330145 /nfs/dbraw/zinc/33/01/45/1071330145.db2.gz AJAPXQQWLFDPTN-UHFFFAOYSA-N 1 2 380.445 -0.381 20 0 GBADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC(NS(N)(=O)=O)CC2)CC1 ZINC001643335300 1071330951 /nfs/dbraw/zinc/33/09/51/1071330951.db2.gz UNUAEQJSQUOFHU-UHFFFAOYSA-N 1 2 384.506 -0.584 20 0 GBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001643371871 1071331846 /nfs/dbraw/zinc/33/18/46/1071331846.db2.gz NXRIMOZFGJHMIS-PBHICJAKSA-N 1 2 397.497 -0.499 20 0 GBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001643371871 1071331830 /nfs/dbraw/zinc/33/18/30/1071331830.db2.gz NXRIMOZFGJHMIS-PBHICJAKSA-N 1 2 397.497 -0.499 20 0 GBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001643371872 1071331402 /nfs/dbraw/zinc/33/14/02/1071331402.db2.gz NXRIMOZFGJHMIS-RHSMWYFYSA-N 1 2 397.497 -0.499 20 0 GBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001643371872 1071331392 /nfs/dbraw/zinc/33/13/92/1071331392.db2.gz NXRIMOZFGJHMIS-RHSMWYFYSA-N 1 2 397.497 -0.499 20 0 GBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001643371873 1071331903 /nfs/dbraw/zinc/33/19/03/1071331903.db2.gz NXRIMOZFGJHMIS-WMLDXEAASA-N 1 2 397.497 -0.499 20 0 GBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001643371873 1071331893 /nfs/dbraw/zinc/33/18/93/1071331893.db2.gz NXRIMOZFGJHMIS-WMLDXEAASA-N 1 2 397.497 -0.499 20 0 GBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001643371874 1071332040 /nfs/dbraw/zinc/33/20/40/1071332040.db2.gz NXRIMOZFGJHMIS-YOEHRIQHSA-N 1 2 397.497 -0.499 20 0 GBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001643371874 1071332029 /nfs/dbraw/zinc/33/20/29/1071332029.db2.gz NXRIMOZFGJHMIS-YOEHRIQHSA-N 1 2 397.497 -0.499 20 0 GBADLO CN(CCCNC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)c1cccc[nH+]1 ZINC001643447934 1071334631 /nfs/dbraw/zinc/33/46/31/1071334631.db2.gz MRGPGWFEGZUTAV-UHFFFAOYSA-N 1 2 379.442 -0.107 20 0 GBADLO Nc1nc2nc(C[NH+]3CCC(NC(=O)N4CCOCC4)CC3)cc(=O)n2[nH]1 ZINC001643534883 1071340152 /nfs/dbraw/zinc/34/01/52/1071340152.db2.gz SZJFGADDTDEVTL-UHFFFAOYSA-N 1 2 376.421 -0.994 20 0 GBADLO CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC001643648419 1071342435 /nfs/dbraw/zinc/34/24/35/1071342435.db2.gz ZWUGBDTZVKBQSC-DZGCQCFKSA-N 1 2 391.472 -0.123 20 0 GBADLO CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC001643648419 1071342422 /nfs/dbraw/zinc/34/24/22/1071342422.db2.gz ZWUGBDTZVKBQSC-DZGCQCFKSA-N 1 2 391.472 -0.123 20 0 GBADLO CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C2)ccn1 ZINC001643648420 1071342516 /nfs/dbraw/zinc/34/25/16/1071342516.db2.gz ZWUGBDTZVKBQSC-HIFRSBDPSA-N 1 2 391.472 -0.123 20 0 GBADLO CNC(=O)c1cc(O[C@H]2CCC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C2)ccn1 ZINC001643648420 1071342502 /nfs/dbraw/zinc/34/25/02/1071342502.db2.gz ZWUGBDTZVKBQSC-HIFRSBDPSA-N 1 2 391.472 -0.123 20 0 GBADLO CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C2)ccn1 ZINC001643648421 1071342241 /nfs/dbraw/zinc/34/22/41/1071342241.db2.gz ZWUGBDTZVKBQSC-UKRRQHHQSA-N 1 2 391.472 -0.123 20 0 GBADLO CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C2)ccn1 ZINC001643648421 1071342228 /nfs/dbraw/zinc/34/22/28/1071342228.db2.gz ZWUGBDTZVKBQSC-UKRRQHHQSA-N 1 2 391.472 -0.123 20 0 GBADLO CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC001643648422 1071342170 /nfs/dbraw/zinc/34/21/70/1071342170.db2.gz ZWUGBDTZVKBQSC-ZFWWWQNUSA-N 1 2 391.472 -0.123 20 0 GBADLO CNC(=O)c1cc(O[C@H]2CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC001643648422 1071342156 /nfs/dbraw/zinc/34/21/56/1071342156.db2.gz ZWUGBDTZVKBQSC-ZFWWWQNUSA-N 1 2 391.472 -0.123 20 0 GBADLO C[C@](CO)(NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(O)cc1 ZINC001643768149 1071346674 /nfs/dbraw/zinc/34/66/74/1071346674.db2.gz SEZYCKZTXHAWOG-FOIQADDNSA-N 1 2 391.468 -0.103 20 0 GBADLO C[C@](CO)(NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(O)cc1 ZINC001643768150 1071347155 /nfs/dbraw/zinc/34/71/55/1071347155.db2.gz SEZYCKZTXHAWOG-MGPUTAFESA-N 1 2 391.468 -0.103 20 0 GBADLO C[C@@](CO)(NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(O)cc1 ZINC001643768151 1071347317 /nfs/dbraw/zinc/34/73/17/1071347317.db2.gz SEZYCKZTXHAWOG-QRWLVFNGSA-N 1 2 391.468 -0.103 20 0 GBADLO C[C@@](CO)(NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(O)cc1 ZINC001643768152 1071347281 /nfs/dbraw/zinc/34/72/81/1071347281.db2.gz SEZYCKZTXHAWOG-YWZLYKJASA-N 1 2 391.468 -0.103 20 0 GBADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3c[nH]nc3S(N)(=O)=O)C2)cc1 ZINC001643800270 1071348250 /nfs/dbraw/zinc/34/82/50/1071348250.db2.gz OQMJNOGGKSVKJZ-AWEZNQCLSA-N 1 2 393.469 -0.004 20 0 GBADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3c[nH]nc3S(N)(=O)=O)C2)cc1 ZINC001643800270 1071348239 /nfs/dbraw/zinc/34/82/39/1071348239.db2.gz OQMJNOGGKSVKJZ-AWEZNQCLSA-N 1 2 393.469 -0.004 20 0 GBADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3c[nH]nc3S(N)(=O)=O)C2)cc1 ZINC001643800271 1071348468 /nfs/dbraw/zinc/34/84/68/1071348468.db2.gz OQMJNOGGKSVKJZ-CQSZACIVSA-N 1 2 393.469 -0.004 20 0 GBADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3c[nH]nc3S(N)(=O)=O)C2)cc1 ZINC001643800271 1071348458 /nfs/dbraw/zinc/34/84/58/1071348458.db2.gz OQMJNOGGKSVKJZ-CQSZACIVSA-N 1 2 393.469 -0.004 20 0 GBADLO C[NH+]1CCN(C2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)CC1 ZINC001643817897 1071350753 /nfs/dbraw/zinc/35/07/53/1071350753.db2.gz BBZHDUKONDYGCL-UHFFFAOYSA-N 1 2 384.506 -0.841 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)NCc1ccc(F)cc1 ZINC001643823761 1071350172 /nfs/dbraw/zinc/35/01/72/1071350172.db2.gz AFVGUNMHWQSONJ-AWEZNQCLSA-N 1 2 376.392 -0.179 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)NCc1ccc(F)cc1 ZINC001643823761 1071350162 /nfs/dbraw/zinc/35/01/62/1071350162.db2.gz AFVGUNMHWQSONJ-AWEZNQCLSA-N 1 2 376.392 -0.179 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC001643823793 1071349586 /nfs/dbraw/zinc/34/95/86/1071349586.db2.gz BLCUXLWDJMOLCW-LBPRGKRZSA-N 1 2 399.498 -0.350 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC001643823793 1071349572 /nfs/dbraw/zinc/34/95/72/1071349572.db2.gz BLCUXLWDJMOLCW-LBPRGKRZSA-N 1 2 399.498 -0.350 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001643823827 1071349321 /nfs/dbraw/zinc/34/93/21/1071349321.db2.gz DCUIZBIOSISPDF-IHRRRGAJSA-N 1 2 375.429 -0.252 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001643823827 1071349311 /nfs/dbraw/zinc/34/93/11/1071349311.db2.gz DCUIZBIOSISPDF-IHRRRGAJSA-N 1 2 375.429 -0.252 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001643823828 1071350643 /nfs/dbraw/zinc/35/06/43/1071350643.db2.gz DCUIZBIOSISPDF-MCIONIFRSA-N 1 2 375.429 -0.252 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001643823828 1071350629 /nfs/dbraw/zinc/35/06/29/1071350629.db2.gz DCUIZBIOSISPDF-MCIONIFRSA-N 1 2 375.429 -0.252 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001643823829 1071349172 /nfs/dbraw/zinc/34/91/72/1071349172.db2.gz DCUIZBIOSISPDF-MJBXVCDLSA-N 1 2 375.429 -0.252 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001643823829 1071349166 /nfs/dbraw/zinc/34/91/66/1071349166.db2.gz DCUIZBIOSISPDF-MJBXVCDLSA-N 1 2 375.429 -0.252 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC001643823924 1071349425 /nfs/dbraw/zinc/34/94/25/1071349425.db2.gz HVSVHQPNUZDYRK-AWEZNQCLSA-N 1 2 391.453 -0.181 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC001643823924 1071349414 /nfs/dbraw/zinc/34/94/14/1071349414.db2.gz HVSVHQPNUZDYRK-AWEZNQCLSA-N 1 2 391.453 -0.181 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 ZINC001643824038 1071349251 /nfs/dbraw/zinc/34/92/51/1071349251.db2.gz MRVKZNXOZNSWMV-AWEZNQCLSA-N 1 2 395.441 -0.321 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 ZINC001643824038 1071349245 /nfs/dbraw/zinc/34/92/45/1071349245.db2.gz MRVKZNXOZNSWMV-AWEZNQCLSA-N 1 2 395.441 -0.321 20 0 GBADLO CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)cc1 ZINC001643824282 1071350511 /nfs/dbraw/zinc/35/05/11/1071350511.db2.gz WYEWUYGFBUYZPC-AWEZNQCLSA-N 1 2 379.442 -0.205 20 0 GBADLO CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)cc1 ZINC001643824282 1071350492 /nfs/dbraw/zinc/35/04/92/1071350492.db2.gz WYEWUYGFBUYZPC-AWEZNQCLSA-N 1 2 379.442 -0.205 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC001643827573 1071350736 /nfs/dbraw/zinc/35/07/36/1071350736.db2.gz QSHLYUZHZGROHA-NSHDSACASA-N 1 2 390.425 -0.452 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC001643827573 1071350731 /nfs/dbraw/zinc/35/07/31/1071350731.db2.gz QSHLYUZHZGROHA-NSHDSACASA-N 1 2 390.425 -0.452 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1csc(N2CCOCC2)n1 ZINC001643827613 1071349361 /nfs/dbraw/zinc/34/93/61/1071349361.db2.gz SGSACAPNQLFQEF-ZDUSSCGKSA-N 1 2 378.458 -0.281 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1csc(N2CCOCC2)n1 ZINC001643827613 1071349352 /nfs/dbraw/zinc/34/93/52/1071349352.db2.gz SGSACAPNQLFQEF-ZDUSSCGKSA-N 1 2 378.458 -0.281 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)CCOC)cc1 ZINC001643827714 1071350243 /nfs/dbraw/zinc/35/02/43/1071350243.db2.gz XCNLBFZAIXILOV-HNNXBMFYSA-N 1 2 394.453 -0.083 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)CCOC)cc1 ZINC001643827714 1071350231 /nfs/dbraw/zinc/35/02/31/1071350231.db2.gz XCNLBFZAIXILOV-HNNXBMFYSA-N 1 2 394.453 -0.083 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001643827770 1071350406 /nfs/dbraw/zinc/35/04/06/1071350406.db2.gz ZLNPXRXDKBTROC-IMJJTQAJSA-N 1 2 386.412 -0.824 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001643827770 1071350384 /nfs/dbraw/zinc/35/03/84/1071350384.db2.gz ZLNPXRXDKBTROC-IMJJTQAJSA-N 1 2 386.412 -0.824 20 0 GBADLO CN(CCS(N)(=O)=O)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001643969024 1071357199 /nfs/dbraw/zinc/35/71/99/1071357199.db2.gz FWVKSQVGQAPLEC-UHFFFAOYSA-N 1 2 383.474 -0.743 20 0 GBADLO CN(C)C(=O)CSCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001644012313 1071358620 /nfs/dbraw/zinc/35/86/20/1071358620.db2.gz LCXBQCZPIANMKR-UHFFFAOYSA-N 1 2 377.474 -0.167 20 0 GBADLO COC(=O)CNC(=O)CC[N@H+]1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001644041939 1071358386 /nfs/dbraw/zinc/35/83/86/1071358386.db2.gz KICKSNWPFVGJRR-UHFFFAOYSA-N 1 2 398.460 -0.523 20 0 GBADLO COC(=O)CNC(=O)CC[N@@H+]1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001644041939 1071358369 /nfs/dbraw/zinc/35/83/69/1071358369.db2.gz KICKSNWPFVGJRR-UHFFFAOYSA-N 1 2 398.460 -0.523 20 0 GBADLO CCN1C(=O)c2ccc(C(=O)N[C@H](CO)Cc3c[nH+]c[nH]3)cc2S1(=O)=O ZINC001644049380 1071359547 /nfs/dbraw/zinc/35/95/47/1071359547.db2.gz SQEQHISFGBRRAJ-LBPRGKRZSA-N 1 2 378.410 -0.093 20 0 GBADLO CCN1C(=O)c2ccc(C(=O)N[C@H](CO)Cc3c[nH]c[nH+]3)cc2S1(=O)=O ZINC001644049380 1071359528 /nfs/dbraw/zinc/35/95/28/1071359528.db2.gz SQEQHISFGBRRAJ-LBPRGKRZSA-N 1 2 378.410 -0.093 20 0 GBADLO CN1CCCC[C@H]([N@@H+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O ZINC001644076937 1071360214 /nfs/dbraw/zinc/36/02/14/1071360214.db2.gz ZYFJBXXCJCHQEO-INIZCTEOSA-N 1 2 396.513 -0.065 20 0 GBADLO CN1CCCC[C@H]([N@H+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O ZINC001644076937 1071360201 /nfs/dbraw/zinc/36/02/01/1071360201.db2.gz ZYFJBXXCJCHQEO-INIZCTEOSA-N 1 2 396.513 -0.065 20 0 GBADLO CN1CCCC[C@@H]([N@@H+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O ZINC001644076938 1071360456 /nfs/dbraw/zinc/36/04/56/1071360456.db2.gz ZYFJBXXCJCHQEO-MRXNPFEDSA-N 1 2 396.513 -0.065 20 0 GBADLO CN1CCCC[C@@H]([N@H+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O ZINC001644076938 1071360437 /nfs/dbraw/zinc/36/04/37/1071360437.db2.gz ZYFJBXXCJCHQEO-MRXNPFEDSA-N 1 2 396.513 -0.065 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC001644126577 1071362856 /nfs/dbraw/zinc/36/28/56/1071362856.db2.gz ZBOROKCEJGWGJV-LLVKDONJSA-N 1 2 399.451 -0.677 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC001644126577 1071362844 /nfs/dbraw/zinc/36/28/44/1071362844.db2.gz ZBOROKCEJGWGJV-LLVKDONJSA-N 1 2 399.451 -0.677 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC001644126580 1071362121 /nfs/dbraw/zinc/36/21/21/1071362121.db2.gz ZBOROKCEJGWGJV-NSHDSACASA-N 1 2 399.451 -0.677 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC001644126580 1071362103 /nfs/dbraw/zinc/36/21/03/1071362103.db2.gz ZBOROKCEJGWGJV-NSHDSACASA-N 1 2 399.451 -0.677 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC001644170429 1071364396 /nfs/dbraw/zinc/36/43/96/1071364396.db2.gz BDJSTIJYYUFSDH-AWEZNQCLSA-N 1 2 375.466 -0.321 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001644181484 1071365436 /nfs/dbraw/zinc/36/54/36/1071365436.db2.gz FWYSVEKGMJHIMB-DZGCQCFKSA-N 1 2 399.517 -0.119 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001644181484 1071365432 /nfs/dbraw/zinc/36/54/32/1071365432.db2.gz FWYSVEKGMJHIMB-DZGCQCFKSA-N 1 2 399.517 -0.119 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001644181485 1071365221 /nfs/dbraw/zinc/36/52/21/1071365221.db2.gz FWYSVEKGMJHIMB-HIFRSBDPSA-N 1 2 399.517 -0.119 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001644181485 1071365210 /nfs/dbraw/zinc/36/52/10/1071365210.db2.gz FWYSVEKGMJHIMB-HIFRSBDPSA-N 1 2 399.517 -0.119 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001644181486 1071364906 /nfs/dbraw/zinc/36/49/06/1071364906.db2.gz FWYSVEKGMJHIMB-UKRRQHHQSA-N 1 2 399.517 -0.119 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001644181486 1071364890 /nfs/dbraw/zinc/36/48/90/1071364890.db2.gz FWYSVEKGMJHIMB-UKRRQHHQSA-N 1 2 399.517 -0.119 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001644181487 1071365264 /nfs/dbraw/zinc/36/52/64/1071365264.db2.gz FWYSVEKGMJHIMB-ZFWWWQNUSA-N 1 2 399.517 -0.119 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001644181487 1071365260 /nfs/dbraw/zinc/36/52/60/1071365260.db2.gz FWYSVEKGMJHIMB-ZFWWWQNUSA-N 1 2 399.517 -0.119 20 0 GBADLO CN1C(=O)[C@H]2C[N@@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3Cl)C[C@H]2C1=O ZINC001644189908 1071365160 /nfs/dbraw/zinc/36/51/60/1071365160.db2.gz JHYRCXVQPJZNTE-PHIMTYICSA-N 1 2 389.803 -0.199 20 0 GBADLO CN1C(=O)[C@H]2C[N@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3Cl)C[C@H]2C1=O ZINC001644189908 1071365148 /nfs/dbraw/zinc/36/51/48/1071365148.db2.gz JHYRCXVQPJZNTE-PHIMTYICSA-N 1 2 389.803 -0.199 20 0 GBADLO COC(=O)C1(O)CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001644206770 1071366082 /nfs/dbraw/zinc/36/60/82/1071366082.db2.gz SNFVLXCPZYZZLV-UHFFFAOYSA-N 1 2 376.413 -0.743 20 0 GBADLO COc1cc(NC(=O)C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)cc(OC)c1 ZINC001644234087 1071367459 /nfs/dbraw/zinc/36/74/59/1071367459.db2.gz FIZBMGNOIPFDBM-UHFFFAOYSA-N 1 2 385.442 -0.335 20 0 GBADLO Cc1cccc(OCCCNC(=O)C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)c1 ZINC001644234088 1071367095 /nfs/dbraw/zinc/36/70/95/1071367095.db2.gz FKRQHTYYJMGZSB-UHFFFAOYSA-N 1 2 397.497 -0.098 20 0 GBADLO NC(=O)C1([NH2+]CC(=O)NCCN2CCc3ccccc32)CCS(=O)(=O)CC1 ZINC001644234245 1071367118 /nfs/dbraw/zinc/36/71/18/1071367118.db2.gz GVRKVBDFONDSKD-UHFFFAOYSA-N 1 2 394.497 -0.812 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)s1 ZINC001644234333 1071366917 /nfs/dbraw/zinc/36/69/17/1071366917.db2.gz JTGPSFMIHOHMMU-UHFFFAOYSA-N 1 2 395.528 -0.479 20 0 GBADLO CCOC(=O)C1=C(C[N@H+]2C[C@H](CO)[C@H](CO)C2)NC(=O)N[C@@H]1c1ccco1 ZINC001644246735 1071367705 /nfs/dbraw/zinc/36/77/05/1071367705.db2.gz QBASIQZFNLVUDC-BFQNTYOBSA-N 1 2 379.413 -0.017 20 0 GBADLO CCOC(=O)C1=C(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)NC(=O)N[C@@H]1c1ccco1 ZINC001644246735 1071367692 /nfs/dbraw/zinc/36/76/92/1071367692.db2.gz QBASIQZFNLVUDC-BFQNTYOBSA-N 1 2 379.413 -0.017 20 0 GBADLO CCOC(=O)C1=C(C[N@H+]2C[C@H](CO)[C@H](CO)C2)NC(=O)N[C@H]1c1ccco1 ZINC001644246736 1071367628 /nfs/dbraw/zinc/36/76/28/1071367628.db2.gz QBASIQZFNLVUDC-OZVIIMIRSA-N 1 2 379.413 -0.017 20 0 GBADLO CCOC(=O)C1=C(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)NC(=O)N[C@H]1c1ccco1 ZINC001644246736 1071367612 /nfs/dbraw/zinc/36/76/12/1071367612.db2.gz QBASIQZFNLVUDC-OZVIIMIRSA-N 1 2 379.413 -0.017 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)C1 ZINC001644291338 1071369838 /nfs/dbraw/zinc/36/98/38/1071369838.db2.gz DUJMONYCYJGMAZ-GOSISDBHSA-N 1 2 379.413 -0.298 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)C1 ZINC001644291338 1071369828 /nfs/dbraw/zinc/36/98/28/1071369828.db2.gz DUJMONYCYJGMAZ-GOSISDBHSA-N 1 2 379.413 -0.298 20 0 GBADLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)C1 ZINC001644291339 1071370094 /nfs/dbraw/zinc/37/00/94/1071370094.db2.gz DUJMONYCYJGMAZ-SFHVURJKSA-N 1 2 379.413 -0.298 20 0 GBADLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)C1 ZINC001644291339 1071370078 /nfs/dbraw/zinc/37/00/78/1071370078.db2.gz DUJMONYCYJGMAZ-SFHVURJKSA-N 1 2 379.413 -0.298 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC001644291860 1071369686 /nfs/dbraw/zinc/36/96/86/1071369686.db2.gz QJEBPGPJBCBKQG-APPDUMDISA-N 1 2 397.453 -0.779 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC001644291860 1071369674 /nfs/dbraw/zinc/36/96/74/1071369674.db2.gz QJEBPGPJBCBKQG-APPDUMDISA-N 1 2 397.453 -0.779 20 0 GBADLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC001644291861 1071369559 /nfs/dbraw/zinc/36/95/59/1071369559.db2.gz QJEBPGPJBCBKQG-DIFFPNOSSA-N 1 2 397.453 -0.779 20 0 GBADLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC001644291861 1071369543 /nfs/dbraw/zinc/36/95/43/1071369543.db2.gz QJEBPGPJBCBKQG-DIFFPNOSSA-N 1 2 397.453 -0.779 20 0 GBADLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC001644291862 1071369963 /nfs/dbraw/zinc/36/99/63/1071369963.db2.gz QJEBPGPJBCBKQG-GTNSWQLSSA-N 1 2 397.453 -0.779 20 0 GBADLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC001644291862 1071369950 /nfs/dbraw/zinc/36/99/50/1071369950.db2.gz QJEBPGPJBCBKQG-GTNSWQLSSA-N 1 2 397.453 -0.779 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC001644291863 1071371060 /nfs/dbraw/zinc/37/10/60/1071371060.db2.gz QJEBPGPJBCBKQG-PIGZYNQJSA-N 1 2 397.453 -0.779 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC001644291863 1071371049 /nfs/dbraw/zinc/37/10/49/1071371049.db2.gz QJEBPGPJBCBKQG-PIGZYNQJSA-N 1 2 397.453 -0.779 20 0 GBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H](c3nn[nH]n3)C2)ccc1C ZINC001644306052 1071371383 /nfs/dbraw/zinc/37/13/83/1071371383.db2.gz YWZQVZUCZRBDOQ-LLVKDONJSA-N 1 2 379.446 -0.156 20 0 GBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)ccc1C ZINC001644306052 1071371372 /nfs/dbraw/zinc/37/13/72/1071371372.db2.gz YWZQVZUCZRBDOQ-LLVKDONJSA-N 1 2 379.446 -0.156 20 0 GBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](c3nn[nH]n3)C2)ccc1C ZINC001644306053 1071370892 /nfs/dbraw/zinc/37/08/92/1071370892.db2.gz YWZQVZUCZRBDOQ-NSHDSACASA-N 1 2 379.446 -0.156 20 0 GBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H](c3nn[nH]n3)C2)ccc1C ZINC001644306053 1071370879 /nfs/dbraw/zinc/37/08/79/1071370879.db2.gz YWZQVZUCZRBDOQ-NSHDSACASA-N 1 2 379.446 -0.156 20 0 GBADLO CCOC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001644324091 1071371205 /nfs/dbraw/zinc/37/12/05/1071371205.db2.gz FHHXMNRYMDFWEE-AWEZNQCLSA-N 1 2 390.506 -0.263 20 0 GBADLO CCOC(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001644324091 1071371192 /nfs/dbraw/zinc/37/11/92/1071371192.db2.gz FHHXMNRYMDFWEE-AWEZNQCLSA-N 1 2 390.506 -0.263 20 0 GBADLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001644324092 1071371242 /nfs/dbraw/zinc/37/12/42/1071371242.db2.gz FHHXMNRYMDFWEE-CQSZACIVSA-N 1 2 390.506 -0.263 20 0 GBADLO CCOC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC001644324092 1071371228 /nfs/dbraw/zinc/37/12/28/1071371228.db2.gz FHHXMNRYMDFWEE-CQSZACIVSA-N 1 2 390.506 -0.263 20 0 GBADLO Cn1c(=O)c(C(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)c(N)n(Cc2ccccc2)c1=O ZINC001644359823 1071372944 /nfs/dbraw/zinc/37/29/44/1071372944.db2.gz JVYBHNPMOBVLMV-HNNXBMFYSA-N 1 2 399.451 -0.526 20 0 GBADLO Cn1c(=O)c(C(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)c(N)n(Cc2ccccc2)c1=O ZINC001644359824 1071372849 /nfs/dbraw/zinc/37/28/49/1071372849.db2.gz JVYBHNPMOBVLMV-OAHLLOKOSA-N 1 2 399.451 -0.526 20 0 GBADLO CONC(=O)C1CC[NH+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC001644407221 1071374196 /nfs/dbraw/zinc/37/41/96/1071374196.db2.gz DKYPWBAQGAYLTP-UHFFFAOYSA-N 1 2 395.460 -0.092 20 0 GBADLO CNC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC001644421581 1071376105 /nfs/dbraw/zinc/37/61/05/1071376105.db2.gz KMQTYEGOPAWLRP-BBRMVZONSA-N 1 2 382.486 -0.539 20 0 GBADLO CNC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC001644421581 1071376092 /nfs/dbraw/zinc/37/60/92/1071376092.db2.gz KMQTYEGOPAWLRP-BBRMVZONSA-N 1 2 382.486 -0.539 20 0 GBADLO CNC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC001644421582 1071375187 /nfs/dbraw/zinc/37/51/87/1071375187.db2.gz KMQTYEGOPAWLRP-CJNGLKHVSA-N 1 2 382.486 -0.539 20 0 GBADLO CNC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC001644421582 1071375167 /nfs/dbraw/zinc/37/51/67/1071375167.db2.gz KMQTYEGOPAWLRP-CJNGLKHVSA-N 1 2 382.486 -0.539 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC001644421583 1071375510 /nfs/dbraw/zinc/37/55/10/1071375510.db2.gz KMQTYEGOPAWLRP-CZUORRHYSA-N 1 2 382.486 -0.539 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC001644421583 1071375494 /nfs/dbraw/zinc/37/54/94/1071375494.db2.gz KMQTYEGOPAWLRP-CZUORRHYSA-N 1 2 382.486 -0.539 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC001644421584 1071375780 /nfs/dbraw/zinc/37/57/80/1071375780.db2.gz KMQTYEGOPAWLRP-XJKSGUPXSA-N 1 2 382.486 -0.539 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC001644421584 1071375766 /nfs/dbraw/zinc/37/57/66/1071375766.db2.gz KMQTYEGOPAWLRP-XJKSGUPXSA-N 1 2 382.486 -0.539 20 0 GBADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC2(C1)CS(=O)(=O)C2 ZINC001644471688 1071378292 /nfs/dbraw/zinc/37/82/92/1071378292.db2.gz SJCDKVFHLYMBOK-INIZCTEOSA-N 1 2 385.530 -0.276 20 0 GBADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC2(C1)CS(=O)(=O)C2 ZINC001644471689 1071378445 /nfs/dbraw/zinc/37/84/45/1071378445.db2.gz SJCDKVFHLYMBOK-MRXNPFEDSA-N 1 2 385.530 -0.276 20 0 GBADLO CN(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1nnc2n1CCNC2=O ZINC001644474799 1071378188 /nfs/dbraw/zinc/37/81/88/1071378188.db2.gz NPIIDIALNVRZPT-UHFFFAOYSA-N 1 2 398.471 -0.413 20 0 GBADLO CNC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001644496306 1071379414 /nfs/dbraw/zinc/37/94/14/1071379414.db2.gz JFSPUNIGAVOSCQ-AWEZNQCLSA-N 1 2 377.445 -0.440 20 0 GBADLO CNC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001644496306 1071379402 /nfs/dbraw/zinc/37/94/02/1071379402.db2.gz JFSPUNIGAVOSCQ-AWEZNQCLSA-N 1 2 377.445 -0.440 20 0 GBADLO CNC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001644496310 1071379118 /nfs/dbraw/zinc/37/91/18/1071379118.db2.gz JFSPUNIGAVOSCQ-CQSZACIVSA-N 1 2 377.445 -0.440 20 0 GBADLO CNC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001644496310 1071379104 /nfs/dbraw/zinc/37/91/04/1071379104.db2.gz JFSPUNIGAVOSCQ-CQSZACIVSA-N 1 2 377.445 -0.440 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001644501969 1071379166 /nfs/dbraw/zinc/37/91/66/1071379166.db2.gz PYEHRFWIQZILMR-UHFFFAOYSA-N 1 2 390.502 -0.340 20 0 GBADLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001644501969 1071379148 /nfs/dbraw/zinc/37/91/48/1071379148.db2.gz PYEHRFWIQZILMR-UHFFFAOYSA-N 1 2 390.502 -0.340 20 0 GBADLO CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(O)(COCCO)CC1)c1ccccc1 ZINC001644570706 1071382986 /nfs/dbraw/zinc/38/29/86/1071382986.db2.gz OWRBZQZIYTXLOQ-KRWDZBQOSA-N 1 2 379.457 -0.574 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[NH+]1CCC(O)(COCCO)CC1)c1ccccc1 ZINC001644570707 1071382903 /nfs/dbraw/zinc/38/29/03/1071382903.db2.gz OWRBZQZIYTXLOQ-QGZVFWFLSA-N 1 2 379.457 -0.574 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[N@@H+](CC(=O)NC)CC2)CC1 ZINC001644582289 1071382734 /nfs/dbraw/zinc/38/27/34/1071382734.db2.gz AILXYKYCAOPPPQ-HNNXBMFYSA-N 1 2 383.493 -0.571 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[N@H+](CC(=O)NC)CC2)CC1 ZINC001644582289 1071382728 /nfs/dbraw/zinc/38/27/28/1071382728.db2.gz AILXYKYCAOPPPQ-HNNXBMFYSA-N 1 2 383.493 -0.571 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[N@@H+](CC(=O)NC)CC2)CC1 ZINC001644582290 1071382628 /nfs/dbraw/zinc/38/26/28/1071382628.db2.gz AILXYKYCAOPPPQ-OAHLLOKOSA-N 1 2 383.493 -0.571 20 0 GBADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[N@H+](CC(=O)NC)CC2)CC1 ZINC001644582290 1071382623 /nfs/dbraw/zinc/38/26/23/1071382623.db2.gz AILXYKYCAOPPPQ-OAHLLOKOSA-N 1 2 383.493 -0.571 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001644589484 1071383552 /nfs/dbraw/zinc/38/35/52/1071383552.db2.gz SYJDOYDMHLNJGR-KBPBESRZSA-N 1 2 377.445 -0.808 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001644589484 1071383541 /nfs/dbraw/zinc/38/35/41/1071383541.db2.gz SYJDOYDMHLNJGR-KBPBESRZSA-N 1 2 377.445 -0.808 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001644589485 1071383619 /nfs/dbraw/zinc/38/36/19/1071383619.db2.gz SYJDOYDMHLNJGR-KGLIPLIRSA-N 1 2 377.445 -0.808 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001644589485 1071383600 /nfs/dbraw/zinc/38/36/00/1071383600.db2.gz SYJDOYDMHLNJGR-KGLIPLIRSA-N 1 2 377.445 -0.808 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001644589486 1071384147 /nfs/dbraw/zinc/38/41/47/1071384147.db2.gz SYJDOYDMHLNJGR-UONOGXRCSA-N 1 2 377.445 -0.808 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)C[C@H](O)CNC2=O ZINC001644589486 1071384139 /nfs/dbraw/zinc/38/41/39/1071384139.db2.gz SYJDOYDMHLNJGR-UONOGXRCSA-N 1 2 377.445 -0.808 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001644589487 1071384479 /nfs/dbraw/zinc/38/44/79/1071384479.db2.gz SYJDOYDMHLNJGR-ZIAGYGMSSA-N 1 2 377.445 -0.808 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001644589487 1071384470 /nfs/dbraw/zinc/38/44/70/1071384470.db2.gz SYJDOYDMHLNJGR-ZIAGYGMSSA-N 1 2 377.445 -0.808 20 0 GBADLO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001644606845 1071385726 /nfs/dbraw/zinc/38/57/26/1071385726.db2.gz YAZOPBNBRVPVRX-BBRMVZONSA-N 1 2 392.431 -0.267 20 0 GBADLO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001644606846 1071385617 /nfs/dbraw/zinc/38/56/17/1071385617.db2.gz YAZOPBNBRVPVRX-CJNGLKHVSA-N 1 2 392.431 -0.267 20 0 GBADLO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001644606847 1071385837 /nfs/dbraw/zinc/38/58/37/1071385837.db2.gz YAZOPBNBRVPVRX-CZUORRHYSA-N 1 2 392.431 -0.267 20 0 GBADLO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001644606848 1071385432 /nfs/dbraw/zinc/38/54/32/1071385432.db2.gz YAZOPBNBRVPVRX-XJKSGUPXSA-N 1 2 392.431 -0.267 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001644620163 1071385144 /nfs/dbraw/zinc/38/51/44/1071385144.db2.gz CGKRVNANXLEJTK-DLBZAZTESA-N 1 2 389.456 -0.420 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001644620163 1071385130 /nfs/dbraw/zinc/38/51/30/1071385130.db2.gz CGKRVNANXLEJTK-DLBZAZTESA-N 1 2 389.456 -0.420 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001644620164 1071385026 /nfs/dbraw/zinc/38/50/26/1071385026.db2.gz CGKRVNANXLEJTK-IAGOWNOFSA-N 1 2 389.456 -0.420 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001644620164 1071385002 /nfs/dbraw/zinc/38/50/02/1071385002.db2.gz CGKRVNANXLEJTK-IAGOWNOFSA-N 1 2 389.456 -0.420 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001644620165 1071384856 /nfs/dbraw/zinc/38/48/56/1071384856.db2.gz CGKRVNANXLEJTK-IRXDYDNUSA-N 1 2 389.456 -0.420 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001644620165 1071384845 /nfs/dbraw/zinc/38/48/45/1071384845.db2.gz CGKRVNANXLEJTK-IRXDYDNUSA-N 1 2 389.456 -0.420 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001644620166 1071384808 /nfs/dbraw/zinc/38/48/08/1071384808.db2.gz CGKRVNANXLEJTK-SJORKVTESA-N 1 2 389.456 -0.420 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001644620166 1071384802 /nfs/dbraw/zinc/38/48/02/1071384802.db2.gz CGKRVNANXLEJTK-SJORKVTESA-N 1 2 389.456 -0.420 20 0 GBADLO C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001644620176 1071385757 /nfs/dbraw/zinc/38/57/57/1071385757.db2.gz CWVCTROHMVJGND-PBHICJAKSA-N 1 2 382.505 -0.335 20 0 GBADLO C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001644620176 1071385746 /nfs/dbraw/zinc/38/57/46/1071385746.db2.gz CWVCTROHMVJGND-PBHICJAKSA-N 1 2 382.505 -0.335 20 0 GBADLO C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001644620177 1071385570 /nfs/dbraw/zinc/38/55/70/1071385570.db2.gz CWVCTROHMVJGND-RHSMWYFYSA-N 1 2 382.505 -0.335 20 0 GBADLO C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001644620177 1071385556 /nfs/dbraw/zinc/38/55/56/1071385556.db2.gz CWVCTROHMVJGND-RHSMWYFYSA-N 1 2 382.505 -0.335 20 0 GBADLO C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001644620178 1071385254 /nfs/dbraw/zinc/38/52/54/1071385254.db2.gz CWVCTROHMVJGND-WMLDXEAASA-N 1 2 382.505 -0.335 20 0 GBADLO C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001644620178 1071385241 /nfs/dbraw/zinc/38/52/41/1071385241.db2.gz CWVCTROHMVJGND-WMLDXEAASA-N 1 2 382.505 -0.335 20 0 GBADLO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001644620179 1071384938 /nfs/dbraw/zinc/38/49/38/1071384938.db2.gz CWVCTROHMVJGND-YOEHRIQHSA-N 1 2 382.505 -0.335 20 0 GBADLO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001644620179 1071384917 /nfs/dbraw/zinc/38/49/17/1071384917.db2.gz CWVCTROHMVJGND-YOEHRIQHSA-N 1 2 382.505 -0.335 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC001644620342 1071386742 /nfs/dbraw/zinc/38/67/42/1071386742.db2.gz HJSIWGPNPWOCCT-UHFFFAOYSA-N 1 2 386.449 -0.291 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC001644620342 1071386736 /nfs/dbraw/zinc/38/67/36/1071386736.db2.gz HJSIWGPNPWOCCT-UHFFFAOYSA-N 1 2 386.449 -0.291 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001644620720 1071386410 /nfs/dbraw/zinc/38/64/10/1071386410.db2.gz SWOIFGJUQYIPKT-UHFFFAOYSA-N 1 2 386.449 -0.291 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001644620720 1071386399 /nfs/dbraw/zinc/38/63/99/1071386399.db2.gz SWOIFGJUQYIPKT-UHFFFAOYSA-N 1 2 386.449 -0.291 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001644620773 1071386695 /nfs/dbraw/zinc/38/66/95/1071386695.db2.gz YAAWDNCCBVUYRY-UHFFFAOYSA-N 1 2 398.485 -0.665 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001644620773 1071386689 /nfs/dbraw/zinc/38/66/89/1071386689.db2.gz YAAWDNCCBVUYRY-UHFFFAOYSA-N 1 2 398.485 -0.665 20 0 GBADLO COCCOc1ccc(CNC(=O)C[N@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001644676473 1071387341 /nfs/dbraw/zinc/38/73/41/1071387341.db2.gz BYPMSMJZFHXYIO-FQEVSTJZSA-N 1 2 393.484 -0.293 20 0 GBADLO COCCOc1ccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001644676473 1071387329 /nfs/dbraw/zinc/38/73/29/1071387329.db2.gz BYPMSMJZFHXYIO-FQEVSTJZSA-N 1 2 393.484 -0.293 20 0 GBADLO COCCOc1ccc(CNC(=O)C[N@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001644676474 1071387907 /nfs/dbraw/zinc/38/79/07/1071387907.db2.gz BYPMSMJZFHXYIO-HXUWFJFHSA-N 1 2 393.484 -0.293 20 0 GBADLO COCCOc1ccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001644676474 1071387894 /nfs/dbraw/zinc/38/78/94/1071387894.db2.gz BYPMSMJZFHXYIO-HXUWFJFHSA-N 1 2 393.484 -0.293 20 0 GBADLO O=C(C[N@@H+]1CCN2CCOC[C@@]2(CO)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC001644676590 1071388362 /nfs/dbraw/zinc/38/83/62/1071388362.db2.gz FYVSHWYNKUCZBA-FQEVSTJZSA-N 1 2 392.475 -0.147 20 0 GBADLO O=C(C[N@H+]1CCN2CCOC[C@@]2(CO)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC001644676590 1071388351 /nfs/dbraw/zinc/38/83/51/1071388351.db2.gz FYVSHWYNKUCZBA-FQEVSTJZSA-N 1 2 392.475 -0.147 20 0 GBADLO O=C(C[N@@H+]1CCN2CCOC[C@]2(CO)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC001644676591 1071388078 /nfs/dbraw/zinc/38/80/78/1071388078.db2.gz FYVSHWYNKUCZBA-HXUWFJFHSA-N 1 2 392.475 -0.147 20 0 GBADLO O=C(C[N@H+]1CCN2CCOC[C@]2(CO)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC001644676591 1071388065 /nfs/dbraw/zinc/38/80/65/1071388065.db2.gz FYVSHWYNKUCZBA-HXUWFJFHSA-N 1 2 392.475 -0.147 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC001644716811 1071390608 /nfs/dbraw/zinc/39/06/08/1071390608.db2.gz CFFIVZGNWCHPNQ-AWEZNQCLSA-N 1 2 398.423 -0.052 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC001644716811 1071390594 /nfs/dbraw/zinc/39/05/94/1071390594.db2.gz CFFIVZGNWCHPNQ-AWEZNQCLSA-N 1 2 398.423 -0.052 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC001644717082 1071390294 /nfs/dbraw/zinc/39/02/94/1071390294.db2.gz JSPHOMKQLCRZEG-AWEZNQCLSA-N 1 2 397.432 -0.309 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC001644717082 1071390285 /nfs/dbraw/zinc/39/02/85/1071390285.db2.gz JSPHOMKQLCRZEG-AWEZNQCLSA-N 1 2 397.432 -0.309 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC001644717118 1071390444 /nfs/dbraw/zinc/39/04/44/1071390444.db2.gz LOCOTTIJOGSRBW-FZMZJTMJSA-N 1 2 383.412 -0.479 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC001644717118 1071390439 /nfs/dbraw/zinc/39/04/39/1071390439.db2.gz LOCOTTIJOGSRBW-FZMZJTMJSA-N 1 2 383.412 -0.479 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC001644717119 1071391228 /nfs/dbraw/zinc/39/12/28/1071391228.db2.gz LOCOTTIJOGSRBW-RISCZKNCSA-N 1 2 383.412 -0.479 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC001644717119 1071391221 /nfs/dbraw/zinc/39/12/21/1071391221.db2.gz LOCOTTIJOGSRBW-RISCZKNCSA-N 1 2 383.412 -0.479 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC001644718925 1071390936 /nfs/dbraw/zinc/39/09/36/1071390936.db2.gz FWBBUBZGGRVJHH-NSHDSACASA-N 1 2 383.430 -0.351 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC001644718925 1071390922 /nfs/dbraw/zinc/39/09/22/1071390922.db2.gz FWBBUBZGGRVJHH-NSHDSACASA-N 1 2 383.430 -0.351 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nc(S(C)(=O)=O)ccc1Cl ZINC001644718994 1071391133 /nfs/dbraw/zinc/39/11/33/1071391133.db2.gz ISFQCVBBZLILKV-JTQLQIEISA-N 1 2 385.833 -0.051 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nc(S(C)(=O)=O)ccc1Cl ZINC001644718994 1071391124 /nfs/dbraw/zinc/39/11/24/1071391124.db2.gz ISFQCVBBZLILKV-JTQLQIEISA-N 1 2 385.833 -0.051 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccccc1NS(C)(=O)=O ZINC001644719026 1071390881 /nfs/dbraw/zinc/39/08/81/1071390881.db2.gz KOTSUUMZLKWYTC-AWEZNQCLSA-N 1 2 379.442 -0.203 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccccc1NS(C)(=O)=O ZINC001644719026 1071390867 /nfs/dbraw/zinc/39/08/67/1071390867.db2.gz KOTSUUMZLKWYTC-AWEZNQCLSA-N 1 2 379.442 -0.203 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC1(NC(=O)OC(C)(C)C)COC1 ZINC001644719108 1071390749 /nfs/dbraw/zinc/39/07/49/1071390749.db2.gz NLXNVLCLNJQIAG-LBPRGKRZSA-N 1 2 381.433 -0.133 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC1(NC(=O)OC(C)(C)C)COC1 ZINC001644719108 1071390737 /nfs/dbraw/zinc/39/07/37/1071390737.db2.gz NLXNVLCLNJQIAG-LBPRGKRZSA-N 1 2 381.433 -0.133 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC001644719358 1071390412 /nfs/dbraw/zinc/39/04/12/1071390412.db2.gz YDFYDLOSSFTQCP-GJZGRUSLSA-N 1 2 391.403 -0.958 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 ZINC001644719358 1071390404 /nfs/dbraw/zinc/39/04/04/1071390404.db2.gz YDFYDLOSSFTQCP-GJZGRUSLSA-N 1 2 391.403 -0.958 20 0 GBADLO CCC(CC)[C@@H](C(=O)NCCc1nnc2n1CCNC2=O)[NH+]1CCOCC1 ZINC001644740218 1071392945 /nfs/dbraw/zinc/39/29/45/1071392945.db2.gz HVNXZZLKEINRPF-HNNXBMFYSA-N 1 2 378.477 -0.183 20 0 GBADLO CCC(CC)[C@H](C(=O)NCCc1nnc2n1CCNC2=O)[NH+]1CCOCC1 ZINC001644740223 1071393247 /nfs/dbraw/zinc/39/32/47/1071393247.db2.gz HVNXZZLKEINRPF-OAHLLOKOSA-N 1 2 378.477 -0.183 20 0 GBADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCc2nnc3n2CCNC3=O)cc1 ZINC001644740730 1071392718 /nfs/dbraw/zinc/39/27/18/1071392718.db2.gz SXDIUGAQNIOGMS-HNNXBMFYSA-N 1 2 384.440 -0.037 20 0 GBADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCc2nnc3n2CCNC3=O)cc1 ZINC001644740730 1071392713 /nfs/dbraw/zinc/39/27/13/1071392713.db2.gz SXDIUGAQNIOGMS-HNNXBMFYSA-N 1 2 384.440 -0.037 20 0 GBADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCCc2nnc3n2CCNC3=O)cc1 ZINC001644740731 1071393012 /nfs/dbraw/zinc/39/30/12/1071393012.db2.gz SXDIUGAQNIOGMS-OAHLLOKOSA-N 1 2 384.440 -0.037 20 0 GBADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCCc2nnc3n2CCNC3=O)cc1 ZINC001644740731 1071393000 /nfs/dbraw/zinc/39/30/00/1071393000.db2.gz SXDIUGAQNIOGMS-OAHLLOKOSA-N 1 2 384.440 -0.037 20 0 GBADLO C[C@@]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)(C(N)=O)c1ccccc1 ZINC001644872145 1071399896 /nfs/dbraw/zinc/39/98/96/1071399896.db2.gz FLIUCZVMHRHCKF-KRWDZBQOSA-N 1 2 382.486 -0.483 20 0 GBADLO C[C@]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)(C(N)=O)c1ccccc1 ZINC001644872146 1071399647 /nfs/dbraw/zinc/39/96/47/1071399647.db2.gz FLIUCZVMHRHCKF-QGZVFWFLSA-N 1 2 382.486 -0.483 20 0 GBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C ZINC001644921103 1071401895 /nfs/dbraw/zinc/40/18/95/1071401895.db2.gz SALRCCCLWYQRQB-OLMNPRSZSA-N 1 2 393.488 -0.065 20 0 GBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C ZINC001644921103 1071401890 /nfs/dbraw/zinc/40/18/90/1071401890.db2.gz SALRCCCLWYQRQB-OLMNPRSZSA-N 1 2 393.488 -0.065 20 0 GBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C ZINC001644921105 1071401884 /nfs/dbraw/zinc/40/18/84/1071401884.db2.gz SALRCCCLWYQRQB-QGTPRVQTSA-N 1 2 393.488 -0.065 20 0 GBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C ZINC001644921105 1071401882 /nfs/dbraw/zinc/40/18/82/1071401882.db2.gz SALRCCCLWYQRQB-QGTPRVQTSA-N 1 2 393.488 -0.065 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](c2ncon2)C1 ZINC001645025264 1071405626 /nfs/dbraw/zinc/40/56/26/1071405626.db2.gz FZPGRXQWWDLYAI-CABCVRRESA-N 1 2 377.445 -0.044 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](c2ncon2)C1 ZINC001645025268 1071405759 /nfs/dbraw/zinc/40/57/59/1071405759.db2.gz FZPGRXQWWDLYAI-GJZGRUSLSA-N 1 2 377.445 -0.044 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](c2ncon2)C1 ZINC001645025269 1071405718 /nfs/dbraw/zinc/40/57/18/1071405718.db2.gz FZPGRXQWWDLYAI-HUUCEWRRSA-N 1 2 377.445 -0.044 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](c2ncon2)C1 ZINC001645025270 1071405802 /nfs/dbraw/zinc/40/58/02/1071405802.db2.gz FZPGRXQWWDLYAI-LSDHHAIUSA-N 1 2 377.445 -0.044 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC001645056515 1071407506 /nfs/dbraw/zinc/40/75/06/1071407506.db2.gz CDCAINVYMCHXCG-UHFFFAOYSA-N 1 2 375.433 -0.718 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC001645056515 1071407504 /nfs/dbraw/zinc/40/75/04/1071407504.db2.gz CDCAINVYMCHXCG-UHFFFAOYSA-N 1 2 375.433 -0.718 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NC)ccc2C)CC1 ZINC001645057345 1071407401 /nfs/dbraw/zinc/40/74/01/1071407401.db2.gz VYHFECLGSQBYMV-UHFFFAOYSA-N 1 2 382.486 -0.203 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)NC)ccc2C)CC1 ZINC001645057345 1071407395 /nfs/dbraw/zinc/40/73/95/1071407395.db2.gz VYHFECLGSQBYMV-UHFFFAOYSA-N 1 2 382.486 -0.203 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(N3CCOCC3)n2)CC1 ZINC001645060693 1071407435 /nfs/dbraw/zinc/40/74/35/1071407435.db2.gz AECVXBGPXCASKK-UHFFFAOYSA-N 1 2 381.502 -0.198 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(N3CCOCC3)n2)CC1 ZINC001645060693 1071407432 /nfs/dbraw/zinc/40/74/32/1071407432.db2.gz AECVXBGPXCASKK-UHFFFAOYSA-N 1 2 381.502 -0.198 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)CC1 ZINC001645061304 1071407650 /nfs/dbraw/zinc/40/76/50/1071407650.db2.gz GXONEISGPMJAMC-LLVKDONJSA-N 1 2 399.542 -0.068 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)CC1 ZINC001645061304 1071407643 /nfs/dbraw/zinc/40/76/43/1071407643.db2.gz GXONEISGPMJAMC-LLVKDONJSA-N 1 2 399.542 -0.068 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)CC1 ZINC001645061305 1071407414 /nfs/dbraw/zinc/40/74/14/1071407414.db2.gz GXONEISGPMJAMC-NSHDSACASA-N 1 2 399.542 -0.068 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)CC1 ZINC001645061305 1071407411 /nfs/dbraw/zinc/40/74/11/1071407411.db2.gz GXONEISGPMJAMC-NSHDSACASA-N 1 2 399.542 -0.068 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 ZINC001645061922 1071407696 /nfs/dbraw/zinc/40/76/96/1071407696.db2.gz LDGFPXJGTWQRCL-INIZCTEOSA-N 1 2 394.447 -0.874 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 ZINC001645061922 1071407693 /nfs/dbraw/zinc/40/76/93/1071407693.db2.gz LDGFPXJGTWQRCL-INIZCTEOSA-N 1 2 394.447 -0.874 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC001645062027 1071407569 /nfs/dbraw/zinc/40/75/69/1071407569.db2.gz NNVTYFSDUQGDDG-IBGZPJMESA-N 1 2 387.440 -0.365 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC001645062027 1071407564 /nfs/dbraw/zinc/40/75/64/1071407564.db2.gz NNVTYFSDUQGDDG-IBGZPJMESA-N 1 2 387.440 -0.365 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC001645062031 1071407669 /nfs/dbraw/zinc/40/76/69/1071407669.db2.gz NNVTYFSDUQGDDG-LJQANCHMSA-N 1 2 387.440 -0.365 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC001645062031 1071407661 /nfs/dbraw/zinc/40/76/61/1071407661.db2.gz NNVTYFSDUQGDDG-LJQANCHMSA-N 1 2 387.440 -0.365 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCCCn2cnc3c2ncnc3N)CC1 ZINC001645062212 1071407813 /nfs/dbraw/zinc/40/78/13/1071407813.db2.gz PZTWKYLYXJSLIS-UHFFFAOYSA-N 1 2 388.476 -0.141 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCCCn2cnc3c2ncnc3N)CC1 ZINC001645062212 1071407807 /nfs/dbraw/zinc/40/78/07/1071407807.db2.gz PZTWKYLYXJSLIS-UHFFFAOYSA-N 1 2 388.476 -0.141 20 0 GBADLO CN(C)C(=O)c1c[nH]nc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001645095906 1071407843 /nfs/dbraw/zinc/40/78/43/1071407843.db2.gz ZXXQWKBAHXKIQF-GFCCVEGCSA-N 1 2 378.433 -0.769 20 0 GBADLO CN(C)C(=O)c1c[nH]nc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001645095907 1071407529 /nfs/dbraw/zinc/40/75/29/1071407529.db2.gz ZXXQWKBAHXKIQF-LBPRGKRZSA-N 1 2 378.433 -0.769 20 0 GBADLO CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC001645177413 1071411042 /nfs/dbraw/zinc/41/10/42/1071411042.db2.gz APBYFOLYEVLCPK-UHFFFAOYSA-N 1 2 386.474 -0.327 20 0 GBADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001645178888 1071410639 /nfs/dbraw/zinc/41/06/39/1071410639.db2.gz ZRDOBGDRFLCEPC-UHFFFAOYSA-N 1 2 376.417 -0.642 20 0 GBADLO Cc1nc(C(=O)N2CCN(C3C[NH+](C)C3)CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001645187809 1071410879 /nfs/dbraw/zinc/41/08/79/1071410879.db2.gz WSMHYMVSVQOECP-UHFFFAOYSA-N 1 2 399.381 -0.216 20 0 GBADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001645253116 1071414589 /nfs/dbraw/zinc/41/45/89/1071414589.db2.gz KWFSMUJQDUWLRM-UHFFFAOYSA-N 1 2 382.486 -0.121 20 0 GBADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001645253116 1071414582 /nfs/dbraw/zinc/41/45/82/1071414582.db2.gz KWFSMUJQDUWLRM-UHFFFAOYSA-N 1 2 382.486 -0.121 20 0 GBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC001645256004 1071414569 /nfs/dbraw/zinc/41/45/69/1071414569.db2.gz KQVMNZMZHKTGQI-UHFFFAOYSA-N 1 2 387.440 -0.395 20 0 GBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 ZINC001645256004 1071414565 /nfs/dbraw/zinc/41/45/65/1071414565.db2.gz KQVMNZMZHKTGQI-UHFFFAOYSA-N 1 2 387.440 -0.395 20 0 GBADLO CCOC(Cn1cc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)nn1)OCC ZINC001645256006 1071414379 /nfs/dbraw/zinc/41/43/79/1071414379.db2.gz KVRHANCBJRYDNE-UHFFFAOYSA-N 1 2 396.492 -0.087 20 0 GBADLO CCOC(Cn1cc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)nn1)OCC ZINC001645256006 1071414376 /nfs/dbraw/zinc/41/43/76/1071414376.db2.gz KVRHANCBJRYDNE-UHFFFAOYSA-N 1 2 396.492 -0.087 20 0 GBADLO COC(=O)c1ncoc1COCC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001645256015 1071414543 /nfs/dbraw/zinc/41/45/43/1071414543.db2.gz LSBHRDLLLMRWQM-UHFFFAOYSA-N 1 2 382.417 -0.400 20 0 GBADLO COC(=O)c1ncoc1COCC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001645256015 1071414538 /nfs/dbraw/zinc/41/45/38/1071414538.db2.gz LSBHRDLLLMRWQM-UHFFFAOYSA-N 1 2 382.417 -0.400 20 0 GBADLO Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001645256276 1071414502 /nfs/dbraw/zinc/41/45/02/1071414502.db2.gz SSCNICJUGZMJLN-UHFFFAOYSA-N 1 2 388.515 -0.060 20 0 GBADLO Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001645256276 1071414501 /nfs/dbraw/zinc/41/45/01/1071414501.db2.gz SSCNICJUGZMJLN-UHFFFAOYSA-N 1 2 388.515 -0.060 20 0 GBADLO Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001645256404 1071414492 /nfs/dbraw/zinc/41/44/92/1071414492.db2.gz XDIAQOHLTDWZCF-UHFFFAOYSA-N 1 2 383.474 -0.726 20 0 GBADLO Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001645256404 1071414488 /nfs/dbraw/zinc/41/44/88/1071414488.db2.gz XDIAQOHLTDWZCF-UHFFFAOYSA-N 1 2 383.474 -0.726 20 0 GBADLO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1nnc2c(=O)[nH]ccn21 ZINC001645342434 1071417813 /nfs/dbraw/zinc/41/78/13/1071417813.db2.gz DRSPOGFDCLWLJE-UPJWGTAASA-N 1 2 376.417 -0.525 20 0 GBADLO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1nnc2c(=O)[nH]ccn21 ZINC001645342435 1071417336 /nfs/dbraw/zinc/41/73/36/1071417336.db2.gz DRSPOGFDCLWLJE-XQQFMLRXSA-N 1 2 376.417 -0.525 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001645411577 1071422092 /nfs/dbraw/zinc/42/20/92/1071422092.db2.gz WTCQKNSVEZFTIA-AAEUAGOBSA-N 1 2 386.499 -0.449 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001645411577 1071422086 /nfs/dbraw/zinc/42/20/86/1071422086.db2.gz WTCQKNSVEZFTIA-AAEUAGOBSA-N 1 2 386.499 -0.449 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001645411578 1071421488 /nfs/dbraw/zinc/42/14/88/1071421488.db2.gz WTCQKNSVEZFTIA-DGCLKSJQSA-N 1 2 386.499 -0.449 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001645411578 1071421485 /nfs/dbraw/zinc/42/14/85/1071421485.db2.gz WTCQKNSVEZFTIA-DGCLKSJQSA-N 1 2 386.499 -0.449 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001645411579 1071421575 /nfs/dbraw/zinc/42/15/75/1071421575.db2.gz WTCQKNSVEZFTIA-WCQYABFASA-N 1 2 386.499 -0.449 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001645411579 1071421566 /nfs/dbraw/zinc/42/15/66/1071421566.db2.gz WTCQKNSVEZFTIA-WCQYABFASA-N 1 2 386.499 -0.449 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001645411580 1071421900 /nfs/dbraw/zinc/42/19/00/1071421900.db2.gz WTCQKNSVEZFTIA-YPMHNXCESA-N 1 2 386.499 -0.449 20 0 GBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001645411580 1071421895 /nfs/dbraw/zinc/42/18/95/1071421895.db2.gz WTCQKNSVEZFTIA-YPMHNXCESA-N 1 2 386.499 -0.449 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC001645438478 1071422650 /nfs/dbraw/zinc/42/26/50/1071422650.db2.gz OIUDSDYUTRQDHW-CQSZACIVSA-N 1 2 380.426 -0.069 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC001645438478 1071422639 /nfs/dbraw/zinc/42/26/39/1071422639.db2.gz OIUDSDYUTRQDHW-CQSZACIVSA-N 1 2 380.426 -0.069 20 0 GBADLO C[NH+](C)Cc1nc(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)co1 ZINC001645496950 1071424126 /nfs/dbraw/zinc/42/41/26/1071424126.db2.gz YDGXEHKSGNMTQB-AAEUAGOBSA-N 1 2 384.458 -0.612 20 0 GBADLO C[NH+](C)Cc1nc(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)co1 ZINC001645496951 1071424200 /nfs/dbraw/zinc/42/42/00/1071424200.db2.gz YDGXEHKSGNMTQB-DGCLKSJQSA-N 1 2 384.458 -0.612 20 0 GBADLO C[NH+](C)Cc1nc(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)co1 ZINC001645496952 1071424294 /nfs/dbraw/zinc/42/42/94/1071424294.db2.gz YDGXEHKSGNMTQB-WCQYABFASA-N 1 2 384.458 -0.612 20 0 GBADLO C[NH+](C)Cc1nc(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)co1 ZINC001645496953 1071424255 /nfs/dbraw/zinc/42/42/55/1071424255.db2.gz YDGXEHKSGNMTQB-YPMHNXCESA-N 1 2 384.458 -0.612 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001645679796 1071429401 /nfs/dbraw/zinc/42/94/01/1071429401.db2.gz KTMXVGSUJUKDHX-QMTMVMCOSA-N 1 2 391.472 -0.852 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001645679796 1071429393 /nfs/dbraw/zinc/42/93/93/1071429393.db2.gz KTMXVGSUJUKDHX-QMTMVMCOSA-N 1 2 391.472 -0.852 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001645679797 1071429214 /nfs/dbraw/zinc/42/92/14/1071429214.db2.gz KTMXVGSUJUKDHX-SPYBWZPUSA-N 1 2 391.472 -0.852 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001645679797 1071429211 /nfs/dbraw/zinc/42/92/11/1071429211.db2.gz KTMXVGSUJUKDHX-SPYBWZPUSA-N 1 2 391.472 -0.852 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001645679798 1071429182 /nfs/dbraw/zinc/42/91/82/1071429182.db2.gz KTMXVGSUJUKDHX-YZVOILCLSA-N 1 2 391.472 -0.852 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001645679798 1071429176 /nfs/dbraw/zinc/42/91/76/1071429176.db2.gz KTMXVGSUJUKDHX-YZVOILCLSA-N 1 2 391.472 -0.852 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001645679799 1071429153 /nfs/dbraw/zinc/42/91/53/1071429153.db2.gz KTMXVGSUJUKDHX-ZRGWGRIASA-N 1 2 391.472 -0.852 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001645679799 1071429150 /nfs/dbraw/zinc/42/91/50/1071429150.db2.gz KTMXVGSUJUKDHX-ZRGWGRIASA-N 1 2 391.472 -0.852 20 0 GBADLO COCCOCCc1ncc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)[nH]1 ZINC001645680116 1071429436 /nfs/dbraw/zinc/42/94/36/1071429436.db2.gz VXAWEACWICZFAI-IBGZPJMESA-N 1 2 396.488 -0.039 20 0 GBADLO COCCOCCc1ncc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)[nH]1 ZINC001645680116 1071429425 /nfs/dbraw/zinc/42/94/25/1071429425.db2.gz VXAWEACWICZFAI-IBGZPJMESA-N 1 2 396.488 -0.039 20 0 GBADLO COCCOCCc1ncc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)[nH]1 ZINC001645680117 1071429451 /nfs/dbraw/zinc/42/94/51/1071429451.db2.gz VXAWEACWICZFAI-LJQANCHMSA-N 1 2 396.488 -0.039 20 0 GBADLO COCCOCCc1ncc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)[nH]1 ZINC001645680117 1071429446 /nfs/dbraw/zinc/42/94/46/1071429446.db2.gz VXAWEACWICZFAI-LJQANCHMSA-N 1 2 396.488 -0.039 20 0 GBADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC(O)(COCCO)CC2)CC1 ZINC001645763592 1071432426 /nfs/dbraw/zinc/43/24/26/1071432426.db2.gz AABSEDDREGCXQV-UHFFFAOYSA-N 1 2 380.489 -0.006 20 0 GBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C ZINC001645781351 1071432166 /nfs/dbraw/zinc/43/21/66/1071432166.db2.gz HYSCVIALEAACFW-PVAVHDDUSA-N 1 2 393.488 -0.065 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C ZINC001645781352 1071432139 /nfs/dbraw/zinc/43/21/39/1071432139.db2.gz HYSCVIALEAACFW-XIRDDKMYSA-N 1 2 393.488 -0.065 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1 ZINC001646050919 1071438214 /nfs/dbraw/zinc/43/82/14/1071438214.db2.gz LLFBZEPZDGOBAO-UHFFFAOYSA-N 1 2 378.433 -0.054 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1 ZINC001646050919 1071438202 /nfs/dbraw/zinc/43/82/02/1071438202.db2.gz LLFBZEPZDGOBAO-UHFFFAOYSA-N 1 2 378.433 -0.054 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC001646051091 1071438588 /nfs/dbraw/zinc/43/85/88/1071438588.db2.gz OZLAFFMDPSXBFK-IBGZPJMESA-N 1 2 387.440 -0.365 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC001646051091 1071438585 /nfs/dbraw/zinc/43/85/85/1071438585.db2.gz OZLAFFMDPSXBFK-IBGZPJMESA-N 1 2 387.440 -0.365 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC001646051092 1071438669 /nfs/dbraw/zinc/43/86/69/1071438669.db2.gz OZLAFFMDPSXBFK-LJQANCHMSA-N 1 2 387.440 -0.365 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC001646051092 1071438667 /nfs/dbraw/zinc/43/86/67/1071438667.db2.gz OZLAFFMDPSXBFK-LJQANCHMSA-N 1 2 387.440 -0.365 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC001646051380 1071438698 /nfs/dbraw/zinc/43/86/98/1071438698.db2.gz QUNGAAFFTHGWCH-UHFFFAOYSA-N 1 2 387.440 -0.262 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC001646051380 1071438696 /nfs/dbraw/zinc/43/86/96/1071438696.db2.gz QUNGAAFFTHGWCH-UHFFFAOYSA-N 1 2 387.440 -0.262 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001646051520 1071438417 /nfs/dbraw/zinc/43/84/17/1071438417.db2.gz VVOAXNRYRWFVSQ-HNNXBMFYSA-N 1 2 396.513 -0.058 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001646051520 1071438411 /nfs/dbraw/zinc/43/84/11/1071438411.db2.gz VVOAXNRYRWFVSQ-HNNXBMFYSA-N 1 2 396.513 -0.058 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001646055869 1071438652 /nfs/dbraw/zinc/43/86/52/1071438652.db2.gz KEBVRHLYZLCRLH-HIFRSBDPSA-N 1 2 384.477 -0.051 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001646055869 1071438651 /nfs/dbraw/zinc/43/86/51/1071438651.db2.gz KEBVRHLYZLCRLH-HIFRSBDPSA-N 1 2 384.477 -0.051 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(S(N)(=O)=O)cc(F)c2C)CC1 ZINC001646055870 1071438274 /nfs/dbraw/zinc/43/82/74/1071438274.db2.gz KELIHMOLPVPFDD-UHFFFAOYSA-N 1 2 386.449 -0.325 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(S(N)(=O)=O)cc(F)c2C)CC1 ZINC001646055870 1071438257 /nfs/dbraw/zinc/43/82/57/1071438257.db2.gz KELIHMOLPVPFDD-UHFFFAOYSA-N 1 2 386.449 -0.325 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)CC1 ZINC001646055942 1071438577 /nfs/dbraw/zinc/43/85/77/1071438577.db2.gz LHZFKNSCZQPHGG-UHFFFAOYSA-N 1 2 398.504 -0.068 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)CC1 ZINC001646055942 1071438574 /nfs/dbraw/zinc/43/85/74/1071438574.db2.gz LHZFKNSCZQPHGG-UHFFFAOYSA-N 1 2 398.504 -0.068 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 ZINC001646056370 1071438562 /nfs/dbraw/zinc/43/85/62/1071438562.db2.gz TUDLTGWBZSIQEU-HNNXBMFYSA-N 1 2 380.420 -0.803 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 ZINC001646056370 1071438559 /nfs/dbraw/zinc/43/85/59/1071438559.db2.gz TUDLTGWBZSIQEU-HNNXBMFYSA-N 1 2 380.420 -0.803 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1 ZINC001646056634 1071438643 /nfs/dbraw/zinc/43/86/43/1071438643.db2.gz ZVJWCCZEINIJER-INIZCTEOSA-N 1 2 392.456 -0.446 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1 ZINC001646056634 1071438641 /nfs/dbraw/zinc/43/86/41/1071438641.db2.gz ZVJWCCZEINIJER-INIZCTEOSA-N 1 2 392.456 -0.446 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1 ZINC001646056635 1071438602 /nfs/dbraw/zinc/43/86/02/1071438602.db2.gz ZVJWCCZEINIJER-MRXNPFEDSA-N 1 2 392.456 -0.446 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1 ZINC001646056635 1071438600 /nfs/dbraw/zinc/43/86/00/1071438600.db2.gz ZVJWCCZEINIJER-MRXNPFEDSA-N 1 2 392.456 -0.446 20 0 GBADLO O=C(N[C@@H](CO)C(=O)NCC[N@H+]1CCC2(C1)OCCO2)OCc1ccccc1 ZINC001646071209 1071439477 /nfs/dbraw/zinc/43/94/77/1071439477.db2.gz MLUVLUUTSRYZCM-INIZCTEOSA-N 1 2 393.440 -0.161 20 0 GBADLO O=C(N[C@@H](CO)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)OCc1ccccc1 ZINC001646071209 1071439473 /nfs/dbraw/zinc/43/94/73/1071439473.db2.gz MLUVLUUTSRYZCM-INIZCTEOSA-N 1 2 393.440 -0.161 20 0 GBADLO O=C(N[C@H](CO)C(=O)NCC[N@H+]1CCC2(C1)OCCO2)OCc1ccccc1 ZINC001646071210 1071439705 /nfs/dbraw/zinc/43/97/05/1071439705.db2.gz MLUVLUUTSRYZCM-MRXNPFEDSA-N 1 2 393.440 -0.161 20 0 GBADLO O=C(N[C@H](CO)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)OCc1ccccc1 ZINC001646071210 1071439700 /nfs/dbraw/zinc/43/97/00/1071439700.db2.gz MLUVLUUTSRYZCM-MRXNPFEDSA-N 1 2 393.440 -0.161 20 0 GBADLO C[C@]1(c2ccc(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)cc2)NC(=O)NC1=O ZINC001646071222 1071439622 /nfs/dbraw/zinc/43/96/22/1071439622.db2.gz NAUUGYMMILIFRZ-GOSISDBHSA-N 1 2 388.424 -0.080 20 0 GBADLO C[C@]1(c2ccc(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)cc2)NC(=O)NC1=O ZINC001646071222 1071439618 /nfs/dbraw/zinc/43/96/18/1071439618.db2.gz NAUUGYMMILIFRZ-GOSISDBHSA-N 1 2 388.424 -0.080 20 0 GBADLO C[C@@]1(c2ccc(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)cc2)NC(=O)NC1=O ZINC001646071223 1071439607 /nfs/dbraw/zinc/43/96/07/1071439607.db2.gz NAUUGYMMILIFRZ-SFHVURJKSA-N 1 2 388.424 -0.080 20 0 GBADLO C[C@@]1(c2ccc(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)cc2)NC(=O)NC1=O ZINC001646071223 1071439605 /nfs/dbraw/zinc/43/96/05/1071439605.db2.gz NAUUGYMMILIFRZ-SFHVURJKSA-N 1 2 388.424 -0.080 20 0 GBADLO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001646071867 1071439663 /nfs/dbraw/zinc/43/96/63/1071439663.db2.gz XKHLRQQHWNXFQY-UHFFFAOYSA-N 1 2 387.433 -0.040 20 0 GBADLO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001646071867 1071439657 /nfs/dbraw/zinc/43/96/57/1071439657.db2.gz XKHLRQQHWNXFQY-UHFFFAOYSA-N 1 2 387.433 -0.040 20 0 GBADLO Cn1cnnc1[C@H](CO)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001646087110 1071439584 /nfs/dbraw/zinc/43/95/84/1071439584.db2.gz PWAHTGOWXALFKM-GJZGRUSLSA-N 1 2 389.460 -0.004 20 0 GBADLO Cn1cnnc1[C@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001646087110 1071439581 /nfs/dbraw/zinc/43/95/81/1071439581.db2.gz PWAHTGOWXALFKM-GJZGRUSLSA-N 1 2 389.460 -0.004 20 0 GBADLO Cn1cnnc1[C@@H](CO)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001646087111 1071439413 /nfs/dbraw/zinc/43/94/13/1071439413.db2.gz PWAHTGOWXALFKM-LSDHHAIUSA-N 1 2 389.460 -0.004 20 0 GBADLO Cn1cnnc1[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001646087111 1071439411 /nfs/dbraw/zinc/43/94/11/1071439411.db2.gz PWAHTGOWXALFKM-LSDHHAIUSA-N 1 2 389.460 -0.004 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@H](O)[C@H](CO)C2)ccc1Cl ZINC001646100860 1071440515 /nfs/dbraw/zinc/44/05/15/1071440515.db2.gz HEWMSJUGVQUFRP-GWCFXTLKSA-N 1 2 391.877 -0.186 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)ccc1Cl ZINC001646100860 1071440506 /nfs/dbraw/zinc/44/05/06/1071440506.db2.gz HEWMSJUGVQUFRP-GWCFXTLKSA-N 1 2 391.877 -0.186 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)ccc1Cl ZINC001646100861 1071440343 /nfs/dbraw/zinc/44/03/43/1071440343.db2.gz HEWMSJUGVQUFRP-GXFFZTMASA-N 1 2 391.877 -0.186 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)ccc1Cl ZINC001646100861 1071440337 /nfs/dbraw/zinc/44/03/37/1071440337.db2.gz HEWMSJUGVQUFRP-GXFFZTMASA-N 1 2 391.877 -0.186 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)ccc1Cl ZINC001646100864 1071440930 /nfs/dbraw/zinc/44/09/30/1071440930.db2.gz HEWMSJUGVQUFRP-MFKMUULPSA-N 1 2 391.877 -0.186 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)ccc1Cl ZINC001646100864 1071440925 /nfs/dbraw/zinc/44/09/25/1071440925.db2.gz HEWMSJUGVQUFRP-MFKMUULPSA-N 1 2 391.877 -0.186 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)ccc1Cl ZINC001646100866 1071440833 /nfs/dbraw/zinc/44/08/33/1071440833.db2.gz HEWMSJUGVQUFRP-ZWNOBZJWSA-N 1 2 391.877 -0.186 20 0 GBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)ccc1Cl ZINC001646100866 1071440824 /nfs/dbraw/zinc/44/08/24/1071440824.db2.gz HEWMSJUGVQUFRP-ZWNOBZJWSA-N 1 2 391.877 -0.186 20 0 GBADLO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001646101401 1071440677 /nfs/dbraw/zinc/44/06/77/1071440677.db2.gz MGQBNYFRYOUBLX-DOMZBBRYSA-N 1 2 396.469 -0.619 20 0 GBADLO O=C(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001646101401 1071440670 /nfs/dbraw/zinc/44/06/70/1071440670.db2.gz MGQBNYFRYOUBLX-DOMZBBRYSA-N 1 2 396.469 -0.619 20 0 GBADLO O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001646101402 1071441031 /nfs/dbraw/zinc/44/10/31/1071441031.db2.gz MGQBNYFRYOUBLX-IUODEOHRSA-N 1 2 396.469 -0.619 20 0 GBADLO O=C(C[N@H+]1C[C@H](CO)[C@H](O)C1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001646101402 1071441024 /nfs/dbraw/zinc/44/10/24/1071441024.db2.gz MGQBNYFRYOUBLX-IUODEOHRSA-N 1 2 396.469 -0.619 20 0 GBADLO O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001646101403 1071440760 /nfs/dbraw/zinc/44/07/60/1071440760.db2.gz MGQBNYFRYOUBLX-SWLSCSKDSA-N 1 2 396.469 -0.619 20 0 GBADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](CO)C1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001646101403 1071440747 /nfs/dbraw/zinc/44/07/47/1071440747.db2.gz MGQBNYFRYOUBLX-SWLSCSKDSA-N 1 2 396.469 -0.619 20 0 GBADLO O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001646101404 1071440416 /nfs/dbraw/zinc/44/04/16/1071440416.db2.gz MGQBNYFRYOUBLX-WFASDCNBSA-N 1 2 396.469 -0.619 20 0 GBADLO O=C(C[N@@H+]1C[C@H](O)[C@H](CO)C1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001646101404 1071440413 /nfs/dbraw/zinc/44/04/13/1071440413.db2.gz MGQBNYFRYOUBLX-WFASDCNBSA-N 1 2 396.469 -0.619 20 0 GBADLO O=C(C[NH+]1CCC(N2CCCS2(=O)=O)CC1)N1CCC2(CC1)OCCO2 ZINC001646152310 1071441924 /nfs/dbraw/zinc/44/19/24/1071441924.db2.gz CTKHSJSKFCSTJL-UHFFFAOYSA-N 1 2 387.502 -0.148 20 0 GBADLO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(N3CCCS3(=O)=O)CC2)C1 ZINC001646153939 1071441971 /nfs/dbraw/zinc/44/19/71/1071441971.db2.gz SVKBGKWZFBMLCL-HNNXBMFYSA-N 1 2 386.518 -0.387 20 0 GBADLO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(N3CCCS3(=O)=O)CC2)C1 ZINC001646153940 1071441661 /nfs/dbraw/zinc/44/16/61/1071441661.db2.gz SVKBGKWZFBMLCL-OAHLLOKOSA-N 1 2 386.518 -0.387 20 0 GBADLO COCCCS(=O)(=O)NCC[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC001646154189 1071441957 /nfs/dbraw/zinc/44/19/57/1071441957.db2.gz ZOVSMHKBAVUHEA-UHFFFAOYSA-N 1 2 383.536 -0.558 20 0 GBADLO NC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)CCS2(=O)=O ZINC001646221718 1071443130 /nfs/dbraw/zinc/44/31/30/1071443130.db2.gz HZMOWHDRWZNUGY-BBYOUEMTSA-N 1 2 380.470 -0.227 20 0 GBADLO NC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)CCS2(=O)=O ZINC001646221719 1071443120 /nfs/dbraw/zinc/44/31/20/1071443120.db2.gz HZMOWHDRWZNUGY-GWUZIGMUSA-N 1 2 380.470 -0.227 20 0 GBADLO NC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)CCS2(=O)=O ZINC001646221720 1071443173 /nfs/dbraw/zinc/44/31/73/1071443173.db2.gz HZMOWHDRWZNUGY-IRSUPMPHSA-N 1 2 380.470 -0.227 20 0 GBADLO NC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)CCS2(=O)=O ZINC001646221721 1071443016 /nfs/dbraw/zinc/44/30/16/1071443016.db2.gz HZMOWHDRWZNUGY-QGXCKBJSSA-N 1 2 380.470 -0.227 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CCOC[C@H]2CC(N)=O)CCC1 ZINC001646240676 1071443787 /nfs/dbraw/zinc/44/37/87/1071443787.db2.gz HDSMABPUNWVHIS-CHWSQXEVSA-N 1 2 377.507 -0.436 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCOC[C@H]2CC(N)=O)CCC1 ZINC001646240676 1071443781 /nfs/dbraw/zinc/44/37/81/1071443781.db2.gz HDSMABPUNWVHIS-CHWSQXEVSA-N 1 2 377.507 -0.436 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2CCOC[C@H]2CC(N)=O)CCC1 ZINC001646240677 1071444050 /nfs/dbraw/zinc/44/40/50/1071444050.db2.gz HDSMABPUNWVHIS-OLZOCXBDSA-N 1 2 377.507 -0.436 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCOC[C@H]2CC(N)=O)CCC1 ZINC001646240677 1071444044 /nfs/dbraw/zinc/44/40/44/1071444044.db2.gz HDSMABPUNWVHIS-OLZOCXBDSA-N 1 2 377.507 -0.436 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CCOC[C@@H]2CC(N)=O)CCC1 ZINC001646240678 1071444136 /nfs/dbraw/zinc/44/41/36/1071444136.db2.gz HDSMABPUNWVHIS-QWHCGFSZSA-N 1 2 377.507 -0.436 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCOC[C@@H]2CC(N)=O)CCC1 ZINC001646240678 1071444133 /nfs/dbraw/zinc/44/41/33/1071444133.db2.gz HDSMABPUNWVHIS-QWHCGFSZSA-N 1 2 377.507 -0.436 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2CCOC[C@@H]2CC(N)=O)CCC1 ZINC001646240679 1071444092 /nfs/dbraw/zinc/44/40/92/1071444092.db2.gz HDSMABPUNWVHIS-STQMWFEESA-N 1 2 377.507 -0.436 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCOC[C@@H]2CC(N)=O)CCC1 ZINC001646240679 1071444090 /nfs/dbraw/zinc/44/40/90/1071444090.db2.gz HDSMABPUNWVHIS-STQMWFEESA-N 1 2 377.507 -0.436 20 0 GBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001646265417 1071444104 /nfs/dbraw/zinc/44/41/04/1071444104.db2.gz VNYDEQIDWXONOO-CYBMUJFWSA-N 1 2 379.394 -0.010 20 0 GBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001646265418 1071443740 /nfs/dbraw/zinc/44/37/40/1071443740.db2.gz VNYDEQIDWXONOO-ZDUSSCGKSA-N 1 2 379.394 -0.010 20 0 GBADLO Cn1nc2c(c1C(=O)N1CC[C@@H]3[C@@H]1CCC[N@H+]3CCO)CS(=O)(=O)CC2 ZINC001646489230 1071447690 /nfs/dbraw/zinc/44/76/90/1071447690.db2.gz QXMXYZLJPIQMHR-CABCVRRESA-N 1 2 382.486 -0.438 20 0 GBADLO Cn1nc2c(c1C(=O)N1CC[C@@H]3[C@@H]1CCC[N@@H+]3CCO)CS(=O)(=O)CC2 ZINC001646489230 1071447685 /nfs/dbraw/zinc/44/76/85/1071447685.db2.gz QXMXYZLJPIQMHR-CABCVRRESA-N 1 2 382.486 -0.438 20 0 GBADLO Cn1nc2c(c1C(=O)N1CC[C@H]3[C@@H]1CCC[N@H+]3CCO)CS(=O)(=O)CC2 ZINC001646489231 1071447836 /nfs/dbraw/zinc/44/78/36/1071447836.db2.gz QXMXYZLJPIQMHR-GJZGRUSLSA-N 1 2 382.486 -0.438 20 0 GBADLO Cn1nc2c(c1C(=O)N1CC[C@H]3[C@@H]1CCC[N@@H+]3CCO)CS(=O)(=O)CC2 ZINC001646489231 1071447825 /nfs/dbraw/zinc/44/78/25/1071447825.db2.gz QXMXYZLJPIQMHR-GJZGRUSLSA-N 1 2 382.486 -0.438 20 0 GBADLO Cn1nc2c(c1C(=O)N1CC[C@@H]3[C@H]1CCC[N@H+]3CCO)CS(=O)(=O)CC2 ZINC001646489233 1071447562 /nfs/dbraw/zinc/44/75/62/1071447562.db2.gz QXMXYZLJPIQMHR-HUUCEWRRSA-N 1 2 382.486 -0.438 20 0 GBADLO Cn1nc2c(c1C(=O)N1CC[C@@H]3[C@H]1CCC[N@@H+]3CCO)CS(=O)(=O)CC2 ZINC001646489233 1071447559 /nfs/dbraw/zinc/44/75/59/1071447559.db2.gz QXMXYZLJPIQMHR-HUUCEWRRSA-N 1 2 382.486 -0.438 20 0 GBADLO Cn1nc2c(c1C(=O)N1CC[C@H]3[C@H]1CCC[N@H+]3CCO)CS(=O)(=O)CC2 ZINC001646489234 1071448191 /nfs/dbraw/zinc/44/81/91/1071448191.db2.gz QXMXYZLJPIQMHR-LSDHHAIUSA-N 1 2 382.486 -0.438 20 0 GBADLO Cn1nc2c(c1C(=O)N1CC[C@H]3[C@H]1CCC[N@@H+]3CCO)CS(=O)(=O)CC2 ZINC001646489234 1071448186 /nfs/dbraw/zinc/44/81/86/1071448186.db2.gz QXMXYZLJPIQMHR-LSDHHAIUSA-N 1 2 382.486 -0.438 20 0 GBADLO NC(=O)[C@@H]1C[NH+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C[C@H]1C(N)=O ZINC001647752585 1071451851 /nfs/dbraw/zinc/45/18/51/1071451851.db2.gz VVOKDFNUZYTUBU-GHMZBOCLSA-N 1 2 383.334 -0.300 20 0 GBADLO NC(=O)[C@H]1C[N@@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C[C@H]1C(N)=O ZINC001647752586 1071451759 /nfs/dbraw/zinc/45/17/59/1071451759.db2.gz VVOKDFNUZYTUBU-PHIMTYICSA-N 1 2 383.334 -0.300 20 0 GBADLO NC(=O)[C@H]1C[N@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C[C@H]1C(N)=O ZINC001647752586 1071451755 /nfs/dbraw/zinc/45/17/55/1071451755.db2.gz VVOKDFNUZYTUBU-PHIMTYICSA-N 1 2 383.334 -0.300 20 0 GBADLO NC(=O)[C@H]1C[NH+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C[C@@H]1C(N)=O ZINC001647752587 1071451971 /nfs/dbraw/zinc/45/19/71/1071451971.db2.gz VVOKDFNUZYTUBU-QWRGUYRKSA-N 1 2 383.334 -0.300 20 0 GBADLO CC(=O)c1cn(C2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC001647772208 1071453004 /nfs/dbraw/zinc/45/30/04/1071453004.db2.gz KPAKZHORFLGEOI-AWEZNQCLSA-N 1 2 390.444 -0.955 20 0 GBADLO CC(=O)c1cn(C2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC001647772209 1071453118 /nfs/dbraw/zinc/45/31/18/1071453118.db2.gz KPAKZHORFLGEOI-CQSZACIVSA-N 1 2 390.444 -0.955 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001647785609 1071452943 /nfs/dbraw/zinc/45/29/43/1071452943.db2.gz DQIIHUDPNCHRRY-CYBMUJFWSA-N 1 2 384.389 -0.272 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001647785609 1071452936 /nfs/dbraw/zinc/45/29/36/1071452936.db2.gz DQIIHUDPNCHRRY-CYBMUJFWSA-N 1 2 384.389 -0.272 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC001647786199 1071454129 /nfs/dbraw/zinc/45/41/29/1071454129.db2.gz VPCCXHUFASBEHS-LLVKDONJSA-N 1 2 391.409 -0.025 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC001647786199 1071454126 /nfs/dbraw/zinc/45/41/26/1071454126.db2.gz VPCCXHUFASBEHS-LLVKDONJSA-N 1 2 391.409 -0.025 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001647788607 1071453948 /nfs/dbraw/zinc/45/39/48/1071453948.db2.gz LAPTXPJSYDEZQQ-IVZWLZJFSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001647788607 1071453940 /nfs/dbraw/zinc/45/39/40/1071453940.db2.gz LAPTXPJSYDEZQQ-IVZWLZJFSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001647788608 1071453880 /nfs/dbraw/zinc/45/38/80/1071453880.db2.gz LAPTXPJSYDEZQQ-KXUCPTDWSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001647788608 1071453874 /nfs/dbraw/zinc/45/38/74/1071453874.db2.gz LAPTXPJSYDEZQQ-KXUCPTDWSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001647788609 1071454144 /nfs/dbraw/zinc/45/41/44/1071454144.db2.gz LAPTXPJSYDEZQQ-LPEHRKFASA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001647788609 1071454142 /nfs/dbraw/zinc/45/41/42/1071454142.db2.gz LAPTXPJSYDEZQQ-LPEHRKFASA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001647788610 1071454086 /nfs/dbraw/zinc/45/40/86/1071454086.db2.gz LAPTXPJSYDEZQQ-OPRDCNLKSA-N 1 2 383.348 -0.167 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001647788610 1071454085 /nfs/dbraw/zinc/45/40/85/1071454085.db2.gz LAPTXPJSYDEZQQ-OPRDCNLKSA-N 1 2 383.348 -0.167 20 0 GBADLO CNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)OC)cc1 ZINC001647788964 1071454068 /nfs/dbraw/zinc/45/40/68/1071454068.db2.gz VYYSYCCXWYWIMN-CQSZACIVSA-N 1 2 380.426 -0.239 20 0 GBADLO CNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)OC)cc1 ZINC001647788964 1071454066 /nfs/dbraw/zinc/45/40/66/1071454066.db2.gz VYYSYCCXWYWIMN-CQSZACIVSA-N 1 2 380.426 -0.239 20 0 GBADLO COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n(C)n1 ZINC001647803518 1071454149 /nfs/dbraw/zinc/45/41/49/1071454149.db2.gz NLIAKHGSAJSQNP-GFCCVEGCSA-N 1 2 379.417 -0.674 20 0 GBADLO COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n(C)n1 ZINC001647803519 1071454152 /nfs/dbraw/zinc/45/41/52/1071454152.db2.gz NLIAKHGSAJSQNP-LBPRGKRZSA-N 1 2 379.417 -0.674 20 0 GBADLO CC(C)(CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)n1cc[nH+]c1 ZINC001647839770 1071455596 /nfs/dbraw/zinc/45/55/96/1071455596.db2.gz AHUAQJOPQQWGPW-GFCCVEGCSA-N 1 2 381.458 -0.100 20 0 GBADLO CC(C)(CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)n1cc[nH+]c1 ZINC001647839771 1071455833 /nfs/dbraw/zinc/45/58/33/1071455833.db2.gz AHUAQJOPQQWGPW-LBPRGKRZSA-N 1 2 381.458 -0.100 20 0 GBADLO C[NH+](C)Cc1nc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)co1 ZINC001647848872 1071455617 /nfs/dbraw/zinc/45/56/17/1071455617.db2.gz DNMFNXUFKGEDOO-UHFFFAOYSA-N 1 2 380.426 -0.075 20 0 GBADLO Cn1cc([C@@H]2[C@@H](C(=O)NCc3coc(C[NH+](C)C)n3)[C@@H](O)C(=O)N2C)cn1 ZINC001647849244 1071455707 /nfs/dbraw/zinc/45/57/07/1071455707.db2.gz LPKFCHQJGYRNKP-RBSFLKMASA-N 1 2 376.417 -0.724 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001647905684 1071458754 /nfs/dbraw/zinc/45/87/54/1071458754.db2.gz KUACCMLOJBIRAF-AWEZNQCLSA-N 1 2 379.461 -0.605 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001647905684 1071458753 /nfs/dbraw/zinc/45/87/53/1071458753.db2.gz KUACCMLOJBIRAF-AWEZNQCLSA-N 1 2 379.461 -0.605 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001647905685 1071458712 /nfs/dbraw/zinc/45/87/12/1071458712.db2.gz KUACCMLOJBIRAF-CQSZACIVSA-N 1 2 379.461 -0.605 20 0 GBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001647905685 1071458709 /nfs/dbraw/zinc/45/87/09/1071458709.db2.gz KUACCMLOJBIRAF-CQSZACIVSA-N 1 2 379.461 -0.605 20 0 GBADLO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCC[N@H+]2CCCC(=O)NC(N)=O ZINC001647929408 1071460849 /nfs/dbraw/zinc/46/08/49/1071460849.db2.gz CWHBPSVWABUAPB-UHFFFAOYSA-N 1 2 383.449 -0.227 20 0 GBADLO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCC[N@@H+]2CCCC(=O)NC(N)=O ZINC001647929408 1071460843 /nfs/dbraw/zinc/46/08/43/1071460843.db2.gz CWHBPSVWABUAPB-UHFFFAOYSA-N 1 2 383.449 -0.227 20 0 GBADLO O=C(Nc1cc(CO)cc(CO)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001647941801 1071460670 /nfs/dbraw/zinc/46/06/70/1071460670.db2.gz OFSDMWCYMCIOSK-INIZCTEOSA-N 1 2 377.441 -0.210 20 0 GBADLO O=C(Nc1cc(CO)cc(CO)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001647941802 1071460619 /nfs/dbraw/zinc/46/06/19/1071460619.db2.gz OFSDMWCYMCIOSK-MRXNPFEDSA-N 1 2 377.441 -0.210 20 0 GBADLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cc1S(=O)(=O)N(C)C ZINC001647942695 1071460778 /nfs/dbraw/zinc/46/07/78/1071460778.db2.gz MVARHCXGICJRGL-AAEUAGOBSA-N 1 2 397.453 -0.011 20 0 GBADLO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cc1S(=O)(=O)N(C)C ZINC001647942695 1071460772 /nfs/dbraw/zinc/46/07/72/1071460772.db2.gz MVARHCXGICJRGL-AAEUAGOBSA-N 1 2 397.453 -0.011 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001647973054 1071462498 /nfs/dbraw/zinc/46/24/98/1071462498.db2.gz MHXHNCAZYWILNM-INIZCTEOSA-N 1 2 393.488 -0.170 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001647973054 1071462493 /nfs/dbraw/zinc/46/24/93/1071462493.db2.gz MHXHNCAZYWILNM-INIZCTEOSA-N 1 2 393.488 -0.170 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001647973155 1071462610 /nfs/dbraw/zinc/46/26/10/1071462610.db2.gz MHXHNCAZYWILNM-MRXNPFEDSA-N 1 2 393.488 -0.170 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001647973155 1071462604 /nfs/dbraw/zinc/46/26/04/1071462604.db2.gz MHXHNCAZYWILNM-MRXNPFEDSA-N 1 2 393.488 -0.170 20 0 GBADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CC3(C2)NC(=O)NC3=O)c1 ZINC001647982941 1071462425 /nfs/dbraw/zinc/46/24/25/1071462425.db2.gz WCVZUQHPXVZOKM-UHFFFAOYSA-N 1 2 382.380 -0.054 20 0 GBADLO C[C@]12C[N@@H+](CC(=O)NCc3ccc(S(C)(=O)=O)cc3)C[C@@]1(C)C(=O)NC2=O ZINC001647993367 1071463637 /nfs/dbraw/zinc/46/36/37/1071463637.db2.gz MIYWZVLLKSTAHH-HDICACEKSA-N 1 2 393.465 -0.309 20 0 GBADLO C[C@]12C[N@H+](CC(=O)NCc3ccc(S(C)(=O)=O)cc3)C[C@@]1(C)C(=O)NC2=O ZINC001647993367 1071463629 /nfs/dbraw/zinc/46/36/29/1071463629.db2.gz MIYWZVLLKSTAHH-HDICACEKSA-N 1 2 393.465 -0.309 20 0 GBADLO C[C@]12C[NH+](CC(=O)NCc3ccc(S(C)(=O)=O)cc3)C[C@]1(C)C(=O)NC2=O ZINC001647993368 1071463436 /nfs/dbraw/zinc/46/34/36/1071463436.db2.gz MIYWZVLLKSTAHH-QZTJIDSGSA-N 1 2 393.465 -0.309 20 0 GBADLO C[C@@]12C[NH+](CC(=O)NCc3ccc(S(C)(=O)=O)cc3)C[C@@]1(C)C(=O)NC2=O ZINC001647993369 1071463246 /nfs/dbraw/zinc/46/32/46/1071463246.db2.gz MIYWZVLLKSTAHH-ROUUACIJSA-N 1 2 393.465 -0.309 20 0 GBADLO COc1cc(C(=O)N2CC([NH2+]C3COC3)C2)cc(NS(C)(=O)=O)c1OC ZINC001648030440 1071465277 /nfs/dbraw/zinc/46/52/77/1071465277.db2.gz XDKHXEIACTXYKK-UHFFFAOYSA-N 1 2 385.442 -0.112 20 0 GBADLO Cn1ncc2c1nc(CCC(=O)N1CCO[C@H](C[NH+]3CCOCC3)C1)[nH]c2=O ZINC001648037273 1071466588 /nfs/dbraw/zinc/46/65/88/1071466588.db2.gz MRSKEQMNXOUBNR-CYBMUJFWSA-N 1 2 390.444 -0.439 20 0 GBADLO Cn1ncc2c1nc(CCC(=O)N1CCO[C@@H](C[NH+]3CCOCC3)C1)[nH]c2=O ZINC001648037275 1071466406 /nfs/dbraw/zinc/46/64/06/1071466406.db2.gz MRSKEQMNXOUBNR-ZDUSSCGKSA-N 1 2 390.444 -0.439 20 0 GBADLO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001648046824 1071466367 /nfs/dbraw/zinc/46/63/67/1071466367.db2.gz MKKLWCIKXPRKTP-SJORKVTESA-N 1 2 377.441 -0.797 20 0 GBADLO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001648046824 1071466360 /nfs/dbraw/zinc/46/63/60/1071466360.db2.gz MKKLWCIKXPRKTP-SJORKVTESA-N 1 2 377.441 -0.797 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC001648051136 1071466191 /nfs/dbraw/zinc/46/61/91/1071466191.db2.gz RHFGOLNGBOEQAS-UHFFFAOYSA-N 1 2 398.485 -0.512 20 0 GBADLO Cn1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(C(N)=O)n1 ZINC001648073559 1071467199 /nfs/dbraw/zinc/46/71/99/1071467199.db2.gz JJYUDVKCHATODK-CYBMUJFWSA-N 1 2 378.433 -0.829 20 0 GBADLO Cn1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C(N)=O)n1 ZINC001648073560 1071467326 /nfs/dbraw/zinc/46/73/26/1071467326.db2.gz JJYUDVKCHATODK-ZDUSSCGKSA-N 1 2 378.433 -0.829 20 0 GBADLO NC(=O)C1([NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)CCS(=O)(=O)CC1 ZINC001648095563 1071468478 /nfs/dbraw/zinc/46/84/78/1071468478.db2.gz ISMKWBMONRRMSX-CYBMUJFWSA-N 1 2 381.454 -0.351 20 0 GBADLO NC(=O)C1([NH2+]CC(=O)N[C@H]2CCOc3ccccc32)CCS(=O)(=O)CC1 ZINC001648095564 1071468392 /nfs/dbraw/zinc/46/83/92/1071468392.db2.gz ISMKWBMONRRMSX-ZDUSSCGKSA-N 1 2 381.454 -0.351 20 0 GBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001648120168 1071469229 /nfs/dbraw/zinc/46/92/29/1071469229.db2.gz HAQCOWCXDUDHJX-UHFFFAOYSA-N 1 2 399.517 -0.040 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC001648148816 1071471778 /nfs/dbraw/zinc/47/17/78/1071471778.db2.gz NAGFDIPSMWLUPV-KPZWWZAWSA-N 1 2 381.404 -0.271 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC001648148816 1071471775 /nfs/dbraw/zinc/47/17/75/1071471775.db2.gz NAGFDIPSMWLUPV-KPZWWZAWSA-N 1 2 381.404 -0.271 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC001648148817 1071471243 /nfs/dbraw/zinc/47/12/43/1071471243.db2.gz NAGFDIPSMWLUPV-KZULUSFZSA-N 1 2 381.404 -0.271 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC001648148817 1071471234 /nfs/dbraw/zinc/47/12/34/1071471234.db2.gz NAGFDIPSMWLUPV-KZULUSFZSA-N 1 2 381.404 -0.271 20 0 GBADLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC001648148818 1071471200 /nfs/dbraw/zinc/47/12/00/1071471200.db2.gz NAGFDIPSMWLUPV-SGTLLEGYSA-N 1 2 381.404 -0.271 20 0 GBADLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC001648148818 1071471185 /nfs/dbraw/zinc/47/11/85/1071471185.db2.gz NAGFDIPSMWLUPV-SGTLLEGYSA-N 1 2 381.404 -0.271 20 0 GBADLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC001648148819 1071471524 /nfs/dbraw/zinc/47/15/24/1071471524.db2.gz NAGFDIPSMWLUPV-XIKOKIGWSA-N 1 2 381.404 -0.271 20 0 GBADLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC001648148819 1071471519 /nfs/dbraw/zinc/47/15/19/1071471519.db2.gz NAGFDIPSMWLUPV-XIKOKIGWSA-N 1 2 381.404 -0.271 20 0 GBADLO CN(CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ncnc2[nH]cnc21 ZINC001648164182 1071471160 /nfs/dbraw/zinc/47/11/60/1071471160.db2.gz ZXOAQVJNUFMBRU-YVEFUNNKSA-N 1 2 375.433 -0.869 20 0 GBADLO CN(CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ncnc2[nH]cnc21 ZINC001648164182 1071471150 /nfs/dbraw/zinc/47/11/50/1071471150.db2.gz ZXOAQVJNUFMBRU-YVEFUNNKSA-N 1 2 375.433 -0.869 20 0 GBADLO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001648167145 1071472853 /nfs/dbraw/zinc/47/28/53/1071472853.db2.gz HOUYIDZFWQPNOP-IBGZPJMESA-N 1 2 385.424 -0.108 20 0 GBADLO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC001648167146 1071472624 /nfs/dbraw/zinc/47/26/24/1071472624.db2.gz HOUYIDZFWQPNOP-LJQANCHMSA-N 1 2 385.424 -0.108 20 0 GBADLO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCC(=O)N2CC[NH+](C)CC2)c1 ZINC001648190094 1071474542 /nfs/dbraw/zinc/47/45/42/1071474542.db2.gz ACRDAOGTTNWBGT-UHFFFAOYSA-N 1 2 384.458 -0.854 20 0 GBADLO Cn1c2ncn(CC(=O)N3CCC(Cc4c[nH]c[nH+]4)CC3)c2c(=O)n(C)c1=O ZINC001648213035 1071474660 /nfs/dbraw/zinc/47/46/60/1071474660.db2.gz GBSRSYIHXXBPKQ-UHFFFAOYSA-N 1 2 385.428 -0.362 20 0 GBADLO Cn1nnnc1C1CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001648230094 1071475511 /nfs/dbraw/zinc/47/55/11/1071475511.db2.gz AABPCDLKYYYKLD-UHFFFAOYSA-N 1 2 379.446 -0.324 20 0 GBADLO O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001648251228 1071475455 /nfs/dbraw/zinc/47/54/55/1071475455.db2.gz YOCKDAXXZQSESZ-HNNXBMFYSA-N 1 2 385.428 -0.218 20 0 GBADLO O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001648251229 1071475354 /nfs/dbraw/zinc/47/53/54/1071475354.db2.gz YOCKDAXXZQSESZ-OAHLLOKOSA-N 1 2 385.428 -0.218 20 0 GBADLO COC(=O)c1cn(C)nc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001648343554 1071479656 /nfs/dbraw/zinc/47/96/56/1071479656.db2.gz PWAXVCSGRALLGD-GFCCVEGCSA-N 1 2 379.417 -0.674 20 0 GBADLO COC(=O)c1cn(C)nc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001648343555 1071479973 /nfs/dbraw/zinc/47/99/73/1071479973.db2.gz PWAXVCSGRALLGD-LBPRGKRZSA-N 1 2 379.417 -0.674 20 0 GBADLO COCCn1c(N)c(C(=O)C[NH2+]C(C)(C)C(=O)N2CCCC2)c(=O)[nH]c1=O ZINC001648360721 1071479950 /nfs/dbraw/zinc/47/99/50/1071479950.db2.gz FWHSLIITFSALHI-UHFFFAOYSA-N 1 2 381.433 -0.649 20 0 GBADLO CN1C(=O)c2ccc(NC(=O)C[NH+]3CCC(O)(COCCO)CC3)cc2C1=O ZINC001648366033 1071480986 /nfs/dbraw/zinc/48/09/86/1071480986.db2.gz CDBDBVWYTCPADG-UHFFFAOYSA-N 1 2 391.424 -0.313 20 0 GBADLO Cn1cc([C@@H]2CN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC[NH2+]2)cn1 ZINC001648381197 1071480922 /nfs/dbraw/zinc/48/09/22/1071480922.db2.gz MMYYKXWODWBDJQ-HNNXBMFYSA-N 1 2 379.442 -0.381 20 0 GBADLO Cn1cc([C@H]2CN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC[NH2+]2)cn1 ZINC001648381198 1071480863 /nfs/dbraw/zinc/48/08/63/1071480863.db2.gz MMYYKXWODWBDJQ-OAHLLOKOSA-N 1 2 379.442 -0.381 20 0 GBADLO CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)C(=O)C1 ZINC001648389603 1071480941 /nfs/dbraw/zinc/48/09/41/1071480941.db2.gz DHBXXNKJMAYFOB-AWEZNQCLSA-N 1 2 392.460 -0.038 20 0 GBADLO CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)C(=O)C1 ZINC001648389604 1071481041 /nfs/dbraw/zinc/48/10/41/1071481041.db2.gz DHBXXNKJMAYFOB-CQSZACIVSA-N 1 2 392.460 -0.038 20 0 GBADLO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001648389979 1071480726 /nfs/dbraw/zinc/48/07/26/1071480726.db2.gz LADJMMWMJZLXTC-KRWDZBQOSA-N 1 2 394.435 -0.046 20 0 GBADLO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001648389980 1071480930 /nfs/dbraw/zinc/48/09/30/1071480930.db2.gz LADJMMWMJZLXTC-QGZVFWFLSA-N 1 2 394.435 -0.046 20 0 GBADLO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001648390351 1071481614 /nfs/dbraw/zinc/48/16/14/1071481614.db2.gz UWGARIHUZVZULF-INIZCTEOSA-N 1 2 378.454 -0.109 20 0 GBADLO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001648390352 1071482074 /nfs/dbraw/zinc/48/20/74/1071482074.db2.gz UWGARIHUZVZULF-MRXNPFEDSA-N 1 2 378.454 -0.109 20 0 GBADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cn1C ZINC001648390481 1071481679 /nfs/dbraw/zinc/48/16/79/1071481679.db2.gz XYCFSYKXYXPZDP-CYBMUJFWSA-N 1 2 381.462 -0.707 20 0 GBADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cn1C ZINC001648390482 1071481785 /nfs/dbraw/zinc/48/17/85/1071481785.db2.gz XYCFSYKXYXPZDP-ZDUSSCGKSA-N 1 2 381.462 -0.707 20 0 GBADLO CCN(C(=O)C[N@H+]1CC[C@H]1CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001648426492 1071483126 /nfs/dbraw/zinc/48/31/26/1071483126.db2.gz FDRZVJJKNOUKAD-AWEZNQCLSA-N 1 2 387.440 -0.001 20 0 GBADLO CCN(C(=O)C[N@@H+]1CC[C@H]1CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001648426492 1071483114 /nfs/dbraw/zinc/48/31/14/1071483114.db2.gz FDRZVJJKNOUKAD-AWEZNQCLSA-N 1 2 387.440 -0.001 20 0 GBADLO CCN(C(=O)C[N@H+]1CC[C@@H]1CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001648426493 1071482821 /nfs/dbraw/zinc/48/28/21/1071482821.db2.gz FDRZVJJKNOUKAD-CQSZACIVSA-N 1 2 387.440 -0.001 20 0 GBADLO CCN(C(=O)C[N@@H+]1CC[C@@H]1CO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001648426493 1071482816 /nfs/dbraw/zinc/48/28/16/1071482816.db2.gz FDRZVJJKNOUKAD-CQSZACIVSA-N 1 2 387.440 -0.001 20 0 GBADLO CC(C)(C)OC(=O)N1CCN(C(=O)C[N@H+]2CCN3CCOC[C@@]3(CO)C2)CC1 ZINC001648446548 1071483197 /nfs/dbraw/zinc/48/31/97/1071483197.db2.gz MHTGRFFIUTWHMU-IBGZPJMESA-N 1 2 398.504 -0.555 20 0 GBADLO CC(C)(C)OC(=O)N1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@@]3(CO)C2)CC1 ZINC001648446548 1071483187 /nfs/dbraw/zinc/48/31/87/1071483187.db2.gz MHTGRFFIUTWHMU-IBGZPJMESA-N 1 2 398.504 -0.555 20 0 GBADLO CC(C)(C)OC(=O)N1CCN(C(=O)C[N@H+]2CCN3CCOC[C@]3(CO)C2)CC1 ZINC001648446549 1071482794 /nfs/dbraw/zinc/48/27/94/1071482794.db2.gz MHTGRFFIUTWHMU-LJQANCHMSA-N 1 2 398.504 -0.555 20 0 GBADLO CC(C)(C)OC(=O)N1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@]3(CO)C2)CC1 ZINC001648446549 1071482790 /nfs/dbraw/zinc/48/27/90/1071482790.db2.gz MHTGRFFIUTWHMU-LJQANCHMSA-N 1 2 398.504 -0.555 20 0 GBADLO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001648447088 1071484260 /nfs/dbraw/zinc/48/42/60/1071484260.db2.gz ZTSXHICMDSRBQW-IBGZPJMESA-N 1 2 392.456 -0.140 20 0 GBADLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001648447088 1071484248 /nfs/dbraw/zinc/48/42/48/1071484248.db2.gz ZTSXHICMDSRBQW-IBGZPJMESA-N 1 2 392.456 -0.140 20 0 GBADLO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001648447089 1071484063 /nfs/dbraw/zinc/48/40/63/1071484063.db2.gz ZTSXHICMDSRBQW-LJQANCHMSA-N 1 2 392.456 -0.140 20 0 GBADLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001648447089 1071484056 /nfs/dbraw/zinc/48/40/56/1071484056.db2.gz ZTSXHICMDSRBQW-LJQANCHMSA-N 1 2 392.456 -0.140 20 0 GBADLO COC(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)n1 ZINC001648506491 1071485857 /nfs/dbraw/zinc/48/58/57/1071485857.db2.gz MTXSYRMCXBEUAE-GFCCVEGCSA-N 1 2 376.413 -0.230 20 0 GBADLO COC(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)n1 ZINC001648506492 1071485879 /nfs/dbraw/zinc/48/58/79/1071485879.db2.gz MTXSYRMCXBEUAE-LBPRGKRZSA-N 1 2 376.413 -0.230 20 0 GBADLO COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001648535417 1071486773 /nfs/dbraw/zinc/48/67/73/1071486773.db2.gz OYSTVPAJDYADGD-HNNXBMFYSA-N 1 2 394.497 -0.292 20 0 GBADLO COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001648535418 1071486861 /nfs/dbraw/zinc/48/68/61/1071486861.db2.gz OYSTVPAJDYADGD-OAHLLOKOSA-N 1 2 394.497 -0.292 20 0 GBADLO NS(=O)(=O)CCN1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC001648599886 1071488896 /nfs/dbraw/zinc/48/88/96/1071488896.db2.gz DMEDWJBXVGBURY-LLVKDONJSA-N 1 2 383.396 -0.191 20 0 GBADLO NS(=O)(=O)CCN1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC001648599887 1071488804 /nfs/dbraw/zinc/48/88/04/1071488804.db2.gz DMEDWJBXVGBURY-NSHDSACASA-N 1 2 383.396 -0.191 20 0 GBADLO Cn1cc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC001648644884 1071491959 /nfs/dbraw/zinc/49/19/59/1071491959.db2.gz FPLIYARTMQQWAC-CVEARBPZSA-N 1 2 390.488 -0.298 20 0 GBADLO Cn1cc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC001648644885 1071492061 /nfs/dbraw/zinc/49/20/61/1071492061.db2.gz FPLIYARTMQQWAC-HOTGVXAUSA-N 1 2 390.488 -0.298 20 0 GBADLO Cn1cc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC001648644886 1071491556 /nfs/dbraw/zinc/49/15/56/1071491556.db2.gz FPLIYARTMQQWAC-HZPDHXFCSA-N 1 2 390.488 -0.298 20 0 GBADLO Cn1cc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC001648644887 1071491793 /nfs/dbraw/zinc/49/17/93/1071491793.db2.gz FPLIYARTMQQWAC-JKSUJKDBSA-N 1 2 390.488 -0.298 20 0 GBADLO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(=O)NC(N)=O)CC1 ZINC001648685835 1071492006 /nfs/dbraw/zinc/49/20/06/1071492006.db2.gz AULLANBLVXMEAQ-LBPRGKRZSA-N 1 2 383.449 -0.275 20 0 GBADLO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(=O)NC(N)=O)CC1 ZINC001648685835 1071491995 /nfs/dbraw/zinc/49/19/95/1071491995.db2.gz AULLANBLVXMEAQ-LBPRGKRZSA-N 1 2 383.449 -0.275 20 0 GBADLO C[N@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C[C@@H]1CO ZINC001648695491 1071491620 /nfs/dbraw/zinc/49/16/20/1071491620.db2.gz FLGSLAWYRKYITD-SECBINFHSA-N 1 2 392.275 -0.155 20 0 GBADLO C[N@@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C[C@@H]1CO ZINC001648695491 1071491610 /nfs/dbraw/zinc/49/16/10/1071491610.db2.gz FLGSLAWYRKYITD-SECBINFHSA-N 1 2 392.275 -0.155 20 0 GBADLO C[N@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C[C@H]1CO ZINC001648695499 1071492018 /nfs/dbraw/zinc/49/20/18/1071492018.db2.gz FLGSLAWYRKYITD-VIFPVBQESA-N 1 2 392.275 -0.155 20 0 GBADLO C[N@@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C[C@H]1CO ZINC001648695499 1071492015 /nfs/dbraw/zinc/49/20/15/1071492015.db2.gz FLGSLAWYRKYITD-VIFPVBQESA-N 1 2 392.275 -0.155 20 0 GBADLO C[N@H+]1CCN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1CO ZINC001648697250 1071491756 /nfs/dbraw/zinc/49/17/56/1071491756.db2.gz ZWIPDFOWTUVOPA-CYBMUJFWSA-N 1 2 380.449 -0.182 20 0 GBADLO C[N@@H+]1CCN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1CO ZINC001648697250 1071491749 /nfs/dbraw/zinc/49/17/49/1071491749.db2.gz ZWIPDFOWTUVOPA-CYBMUJFWSA-N 1 2 380.449 -0.182 20 0 GBADLO C[N@H+]1CCN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)C[C@H]1CO ZINC001648697251 1071492096 /nfs/dbraw/zinc/49/20/96/1071492096.db2.gz ZWIPDFOWTUVOPA-ZDUSSCGKSA-N 1 2 380.449 -0.182 20 0 GBADLO C[N@@H+]1CCN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)C[C@H]1CO ZINC001648697251 1071492093 /nfs/dbraw/zinc/49/20/93/1071492093.db2.gz ZWIPDFOWTUVOPA-ZDUSSCGKSA-N 1 2 380.449 -0.182 20 0 GBADLO Cn1c2[nH]c(CCC(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)nc2c(=O)[nH]c1=O ZINC001648786627 1072139924 /nfs/dbraw/zinc/13/99/24/1072139924.db2.gz RZHXOKQLBOHQPY-PHIMTYICSA-N 1 2 376.417 -0.726 20 0 GBADLO Cn1c2[nH]c(CCC(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)nc2c(=O)[nH]c1=O ZINC001648786627 1072139922 /nfs/dbraw/zinc/13/99/22/1072139922.db2.gz RZHXOKQLBOHQPY-PHIMTYICSA-N 1 2 376.417 -0.726 20 0 GBADLO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)o1 ZINC001648828777 1072328096 /nfs/dbraw/zinc/32/80/96/1072328096.db2.gz VTHONTBVNRYMPI-UHFFFAOYSA-N 1 2 392.437 -0.211 20 0 GBADLO CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[nH]1 ZINC001648841169 1072329982 /nfs/dbraw/zinc/32/99/82/1072329982.db2.gz ZIRLGOQWEONRKW-KBXIAJHMSA-N 1 2 379.461 -0.119 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2cnn(C[C@H](O)CO)c2)CC1 ZINC001648915486 1072313784 /nfs/dbraw/zinc/31/37/84/1072313784.db2.gz FCXJVCOGUDIGMH-HNNXBMFYSA-N 1 2 382.461 -0.228 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2cnn(C[C@@H](O)CO)c2)CC1 ZINC001648915487 1072313334 /nfs/dbraw/zinc/31/33/34/1072313334.db2.gz FCXJVCOGUDIGMH-OAHLLOKOSA-N 1 2 382.461 -0.228 20 0 GBADLO CN(C)S(=O)(=O)NCC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001648916182 1072352033 /nfs/dbraw/zinc/35/20/33/1072352033.db2.gz VUOPYFVTNYDOIY-UHFFFAOYSA-N 1 2 378.495 -0.695 20 0 GBADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3c[nH]nc3S(N)(=O)=O)C2)c1 ZINC001648920333 1072555507 /nfs/dbraw/zinc/55/55/07/1072555507.db2.gz RPTKBWZIQKOHHH-AWEZNQCLSA-N 1 2 393.469 -0.004 20 0 GBADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3c[nH]nc3S(N)(=O)=O)C2)c1 ZINC001648920333 1072555494 /nfs/dbraw/zinc/55/54/94/1072555494.db2.gz RPTKBWZIQKOHHH-AWEZNQCLSA-N 1 2 393.469 -0.004 20 0 GBADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3c[nH]nc3S(N)(=O)=O)C2)c1 ZINC001648920334 1072557507 /nfs/dbraw/zinc/55/75/07/1072557507.db2.gz RPTKBWZIQKOHHH-CQSZACIVSA-N 1 2 393.469 -0.004 20 0 GBADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3c[nH]nc3S(N)(=O)=O)C2)c1 ZINC001648920334 1072557497 /nfs/dbraw/zinc/55/74/97/1072557497.db2.gz RPTKBWZIQKOHHH-CQSZACIVSA-N 1 2 393.469 -0.004 20 0 GBADLO CC(C)n1ccnc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001649367593 1071495609 /nfs/dbraw/zinc/49/56/09/1071495609.db2.gz HGSCSILOLWNTRF-UHFFFAOYSA-N 1 2 384.506 -0.286 20 0 GBADLO Cn1c[nH+]cc1CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001649506009 1071498535 /nfs/dbraw/zinc/49/85/35/1071498535.db2.gz BVYOMYIXVWAIFG-BCDMZGRMSA-N 1 2 387.484 -0.354 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001649509016 1071499592 /nfs/dbraw/zinc/49/95/92/1071499592.db2.gz VPDNXDFBUZMJKJ-KSTXQTNUSA-N 1 2 387.484 -0.056 20 0 GBADLO CN(CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)C1=NS(=O)(=O)c2ccccc21 ZINC001650645409 1071500572 /nfs/dbraw/zinc/50/05/72/1071500572.db2.gz WTBSXLFCNYVXEL-LBPRGKRZSA-N 1 2 377.426 -0.490 20 0 GBADLO CN(CC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)C1=NS(=O)(=O)c2ccccc21 ZINC001650645409 1071500566 /nfs/dbraw/zinc/50/05/66/1071500566.db2.gz WTBSXLFCNYVXEL-LBPRGKRZSA-N 1 2 377.426 -0.490 20 0 GBADLO CCN1C(=O)CO[C@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)[C@H]1c1ccnn1C ZINC001650647472 1071500544 /nfs/dbraw/zinc/50/05/44/1071500544.db2.gz ZNANRFZZYGGVKU-MAZHCROVSA-N 1 2 376.417 -0.849 20 0 GBADLO CCN1C(=O)CO[C@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)[C@H]1c1ccnn1C ZINC001650647472 1071500539 /nfs/dbraw/zinc/50/05/39/1071500539.db2.gz ZNANRFZZYGGVKU-MAZHCROVSA-N 1 2 376.417 -0.849 20 0 GBADLO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001650738896 1071502624 /nfs/dbraw/zinc/50/26/24/1071502624.db2.gz BIGIQMFHVHDJJD-KBPBESRZSA-N 1 2 396.444 -0.096 20 0 GBADLO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001650738896 1071502618 /nfs/dbraw/zinc/50/26/18/1071502618.db2.gz BIGIQMFHVHDJJD-KBPBESRZSA-N 1 2 396.444 -0.096 20 0 GBADLO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001650738897 1071502362 /nfs/dbraw/zinc/50/23/62/1071502362.db2.gz BIGIQMFHVHDJJD-KGLIPLIRSA-N 1 2 396.444 -0.096 20 0 GBADLO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001650738897 1071502353 /nfs/dbraw/zinc/50/23/53/1071502353.db2.gz BIGIQMFHVHDJJD-KGLIPLIRSA-N 1 2 396.444 -0.096 20 0 GBADLO COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001650738898 1071502565 /nfs/dbraw/zinc/50/25/65/1071502565.db2.gz BIGIQMFHVHDJJD-UONOGXRCSA-N 1 2 396.444 -0.096 20 0 GBADLO COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001650738898 1071502557 /nfs/dbraw/zinc/50/25/57/1071502557.db2.gz BIGIQMFHVHDJJD-UONOGXRCSA-N 1 2 396.444 -0.096 20 0 GBADLO COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001650738899 1071502264 /nfs/dbraw/zinc/50/22/64/1071502264.db2.gz BIGIQMFHVHDJJD-ZIAGYGMSSA-N 1 2 396.444 -0.096 20 0 GBADLO COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001650738899 1071502254 /nfs/dbraw/zinc/50/22/54/1071502254.db2.gz BIGIQMFHVHDJJD-ZIAGYGMSSA-N 1 2 396.444 -0.096 20 0 GBADLO O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001650770842 1071504161 /nfs/dbraw/zinc/50/41/61/1071504161.db2.gz KMSNANVSAZMKEY-UHFFFAOYSA-N 1 2 386.456 -0.068 20 0 GBADLO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)o1 ZINC001650827731 1071506497 /nfs/dbraw/zinc/50/64/97/1071506497.db2.gz NYCUGYMXDBUAOQ-SECBINFHSA-N 1 2 380.469 -0.087 20 0 GBADLO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)o1 ZINC001650827732 1071506782 /nfs/dbraw/zinc/50/67/82/1071506782.db2.gz NYCUGYMXDBUAOQ-VIFPVBQESA-N 1 2 380.469 -0.087 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001650907938 1071508853 /nfs/dbraw/zinc/50/88/53/1071508853.db2.gz BJMYBAXZVLFMPJ-CYBMUJFWSA-N 1 2 375.433 -0.658 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001650907938 1071508838 /nfs/dbraw/zinc/50/88/38/1071508838.db2.gz BJMYBAXZVLFMPJ-CYBMUJFWSA-N 1 2 375.433 -0.658 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001650907939 1071508757 /nfs/dbraw/zinc/50/87/57/1071508757.db2.gz BJMYBAXZVLFMPJ-ZDUSSCGKSA-N 1 2 375.433 -0.658 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001650907939 1071508742 /nfs/dbraw/zinc/50/87/42/1071508742.db2.gz BJMYBAXZVLFMPJ-ZDUSSCGKSA-N 1 2 375.433 -0.658 20 0 GBADLO COC(=O)[C@]1(O)CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001650954270 1071511269 /nfs/dbraw/zinc/51/12/69/1071511269.db2.gz BFSKCGDTBDJLTC-IBGZPJMESA-N 1 2 390.440 -0.353 20 0 GBADLO COC(=O)[C@@]1(O)CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001650954271 1071511393 /nfs/dbraw/zinc/51/13/93/1071511393.db2.gz BFSKCGDTBDJLTC-LJQANCHMSA-N 1 2 390.440 -0.353 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001651094464 1071514383 /nfs/dbraw/zinc/51/43/83/1071514383.db2.gz DLACFBHBLRMYGU-CYBMUJFWSA-N 1 2 375.433 -0.658 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001651094464 1071514375 /nfs/dbraw/zinc/51/43/75/1071514375.db2.gz DLACFBHBLRMYGU-CYBMUJFWSA-N 1 2 375.433 -0.658 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001651094465 1071513993 /nfs/dbraw/zinc/51/39/93/1071513993.db2.gz DLACFBHBLRMYGU-ZDUSSCGKSA-N 1 2 375.433 -0.658 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001651094465 1071513981 /nfs/dbraw/zinc/51/39/81/1071513981.db2.gz DLACFBHBLRMYGU-ZDUSSCGKSA-N 1 2 375.433 -0.658 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC001651181753 1071514893 /nfs/dbraw/zinc/51/48/93/1071514893.db2.gz DWCUUQUTRJBVON-HNNXBMFYSA-N 1 2 387.444 -0.248 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC001651181753 1071514881 /nfs/dbraw/zinc/51/48/81/1071514881.db2.gz DWCUUQUTRJBVON-HNNXBMFYSA-N 1 2 387.444 -0.248 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC001651181768 1071515217 /nfs/dbraw/zinc/51/52/17/1071515217.db2.gz FQFJVTIKBUDFPL-LBPRGKRZSA-N 1 2 383.430 -0.351 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C ZINC001651181768 1071515203 /nfs/dbraw/zinc/51/52/03/1071515203.db2.gz FQFJVTIKBUDFPL-LBPRGKRZSA-N 1 2 383.430 -0.351 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC001651181791 1071515734 /nfs/dbraw/zinc/51/57/34/1071515734.db2.gz GJYZOSMZNMEYPU-ZDUSSCGKSA-N 1 2 383.405 -0.699 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC001651181791 1071515718 /nfs/dbraw/zinc/51/57/18/1071515718.db2.gz GJYZOSMZNMEYPU-ZDUSSCGKSA-N 1 2 383.405 -0.699 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC001651181931 1071515503 /nfs/dbraw/zinc/51/55/03/1071515503.db2.gz HOJRPBRBAVAHFF-KOLCDFICSA-N 1 2 385.471 -0.389 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC001651181931 1071515495 /nfs/dbraw/zinc/51/54/95/1071515495.db2.gz HOJRPBRBAVAHFF-KOLCDFICSA-N 1 2 385.471 -0.389 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC001651181932 1071514706 /nfs/dbraw/zinc/51/47/06/1071514706.db2.gz HOJRPBRBAVAHFF-ONGXEEELSA-N 1 2 385.471 -0.389 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC001651181932 1071514696 /nfs/dbraw/zinc/51/46/96/1071514696.db2.gz HOJRPBRBAVAHFF-ONGXEEELSA-N 1 2 385.471 -0.389 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001651182450 1071515308 /nfs/dbraw/zinc/51/53/08/1071515308.db2.gz POPJRMIMJVRIJI-ZDUSSCGKSA-N 1 2 383.405 -0.699 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC001651182450 1071515294 /nfs/dbraw/zinc/51/52/94/1071515294.db2.gz POPJRMIMJVRIJI-ZDUSSCGKSA-N 1 2 383.405 -0.699 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC001651182460 1071514854 /nfs/dbraw/zinc/51/48/54/1071514854.db2.gz PVXLPKDXYHOZTK-AWEZNQCLSA-N 1 2 379.442 -0.496 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC001651182460 1071514842 /nfs/dbraw/zinc/51/48/42/1071514842.db2.gz PVXLPKDXYHOZTK-AWEZNQCLSA-N 1 2 379.442 -0.496 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC001651182649 1071515396 /nfs/dbraw/zinc/51/53/96/1071515396.db2.gz UNTIKJJZMIWVDH-WFASDCNBSA-N 1 2 393.469 -0.142 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC001651182649 1071515386 /nfs/dbraw/zinc/51/53/86/1071515386.db2.gz UNTIKJJZMIWVDH-WFASDCNBSA-N 1 2 393.469 -0.142 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1ccc(Br)cc1=O ZINC001651184671 1071515049 /nfs/dbraw/zinc/51/50/49/1071515049.db2.gz HXNRHOCQXOAYAR-NSHDSACASA-N 1 2 382.218 -0.193 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1ccc(Br)cc1=O ZINC001651184671 1071515032 /nfs/dbraw/zinc/51/50/32/1071515032.db2.gz HXNRHOCQXOAYAR-NSHDSACASA-N 1 2 382.218 -0.193 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC001651185396 1071515425 /nfs/dbraw/zinc/51/54/25/1071515425.db2.gz VZJOAGXZGJRXJB-KBPBESRZSA-N 1 2 377.376 -0.887 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC001651185396 1071515419 /nfs/dbraw/zinc/51/54/19/1071515419.db2.gz VZJOAGXZGJRXJB-KBPBESRZSA-N 1 2 377.376 -0.887 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC001651185412 1071515359 /nfs/dbraw/zinc/51/53/59/1071515359.db2.gz WOBCXKONBDRQBF-JTQLQIEISA-N 1 2 385.471 -0.191 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC001651185412 1071515352 /nfs/dbraw/zinc/51/53/52/1071515352.db2.gz WOBCXKONBDRQBF-JTQLQIEISA-N 1 2 385.471 -0.191 20 0 GBADLO O=C(N[C@H]1Cc2cccnc2NC1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001651204682 1071516517 /nfs/dbraw/zinc/51/65/17/1071516517.db2.gz UHYKGRZVSMOBQK-CABCVRRESA-N 1 2 387.440 -0.758 20 0 GBADLO O=C(N[C@H]1Cc2cccnc2NC1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001651204683 1071516440 /nfs/dbraw/zinc/51/64/40/1071516440.db2.gz UHYKGRZVSMOBQK-GJZGRUSLSA-N 1 2 387.440 -0.758 20 0 GBADLO O=C(N[C@@H]1Cc2cccnc2NC1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001651204684 1071516168 /nfs/dbraw/zinc/51/61/68/1071516168.db2.gz UHYKGRZVSMOBQK-HUUCEWRRSA-N 1 2 387.440 -0.758 20 0 GBADLO O=C(N[C@@H]1Cc2cccnc2NC1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001651204685 1071516751 /nfs/dbraw/zinc/51/67/51/1071516751.db2.gz UHYKGRZVSMOBQK-LSDHHAIUSA-N 1 2 387.440 -0.758 20 0 GBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(Cc2nn[nH]n2)CC1 ZINC001651238540 1071517452 /nfs/dbraw/zinc/51/74/52/1071517452.db2.gz HWWAMMBVCCGHMK-HNNXBMFYSA-N 1 2 391.476 -0.839 20 0 GBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(Cc2nn[nH]n2)CC1 ZINC001651238541 1071517141 /nfs/dbraw/zinc/51/71/41/1071517141.db2.gz HWWAMMBVCCGHMK-OAHLLOKOSA-N 1 2 391.476 -0.839 20 0 GBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC001651423627 1071522762 /nfs/dbraw/zinc/52/27/62/1071522762.db2.gz RPIDAFIAYVBMSM-LLVKDONJSA-N 1 2 378.433 -0.478 20 0 GBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC001651423627 1071522751 /nfs/dbraw/zinc/52/27/51/1071522751.db2.gz RPIDAFIAYVBMSM-LLVKDONJSA-N 1 2 378.433 -0.478 20 0 GBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC001651423628 1071522548 /nfs/dbraw/zinc/52/25/48/1071522548.db2.gz RPIDAFIAYVBMSM-NSHDSACASA-N 1 2 378.433 -0.478 20 0 GBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC001651423628 1071522533 /nfs/dbraw/zinc/52/25/33/1071522533.db2.gz RPIDAFIAYVBMSM-NSHDSACASA-N 1 2 378.433 -0.478 20 0 GBADLO CC(C)(C)OC(=O)N1CC(N2C[C@H]([NH2+]Cc3cn(CC(N)=O)nn3)CC2=O)C1 ZINC001651649030 1071525290 /nfs/dbraw/zinc/52/52/90/1071525290.db2.gz NVLDUUOJDTWHHY-LLVKDONJSA-N 1 2 393.448 -0.927 20 0 GBADLO CC(C)(C)OC(=O)N1CC(N2C[C@@H]([NH2+]Cc3cn(CC(N)=O)nn3)CC2=O)C1 ZINC001651649031 1071525843 /nfs/dbraw/zinc/52/58/43/1071525843.db2.gz NVLDUUOJDTWHHY-NSHDSACASA-N 1 2 393.448 -0.927 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001651704612 1071526628 /nfs/dbraw/zinc/52/66/28/1071526628.db2.gz UTKJHOPUQFSVPO-GDBMZVCRSA-N 1 2 391.472 -0.106 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001651704612 1071526612 /nfs/dbraw/zinc/52/66/12/1071526612.db2.gz UTKJHOPUQFSVPO-GDBMZVCRSA-N 1 2 391.472 -0.106 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001651704613 1071526712 /nfs/dbraw/zinc/52/67/12/1071526712.db2.gz UTKJHOPUQFSVPO-GOEBONIOSA-N 1 2 391.472 -0.106 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001651704613 1071526705 /nfs/dbraw/zinc/52/67/05/1071526705.db2.gz UTKJHOPUQFSVPO-GOEBONIOSA-N 1 2 391.472 -0.106 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C(=O)NCC12CCOCC2 ZINC001651704614 1071526352 /nfs/dbraw/zinc/52/63/52/1071526352.db2.gz UTKJHOPUQFSVPO-HOCLYGCPSA-N 1 2 391.472 -0.106 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C(=O)NCC12CCOCC2 ZINC001651704614 1071526347 /nfs/dbraw/zinc/52/63/47/1071526347.db2.gz UTKJHOPUQFSVPO-HOCLYGCPSA-N 1 2 391.472 -0.106 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C(=O)NCC12CCOCC2 ZINC001651704615 1071526304 /nfs/dbraw/zinc/52/63/04/1071526304.db2.gz UTKJHOPUQFSVPO-ZBFHGGJFSA-N 1 2 391.472 -0.106 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C(=O)NCC12CCOCC2 ZINC001651704615 1071526299 /nfs/dbraw/zinc/52/62/99/1071526299.db2.gz UTKJHOPUQFSVPO-ZBFHGGJFSA-N 1 2 391.472 -0.106 20 0 GBADLO NS(=O)(=O)c1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC001652070056 1071534849 /nfs/dbraw/zinc/53/48/49/1071534849.db2.gz QRMDREWZYPUQBH-UHFFFAOYSA-N 1 2 394.457 -0.926 20 0 GBADLO NS(=O)(=O)c1cn(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC001652070137 1071534559 /nfs/dbraw/zinc/53/45/59/1071534559.db2.gz VOTLJDLINXUXAH-UHFFFAOYSA-N 1 2 380.430 -0.604 20 0 GBADLO Cn1cc([C@@H]2[C@@H](C(=O)NCc3nc(C[NH+](C)C)cs3)[C@@H](O)C(=O)N2C)cn1 ZINC001652097039 1071534954 /nfs/dbraw/zinc/53/49/54/1071534954.db2.gz UYGNFPZSLCKKPU-RBSFLKMASA-N 1 2 392.485 -0.255 20 0 GBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 ZINC001652170578 1071536726 /nfs/dbraw/zinc/53/67/26/1071536726.db2.gz XKMPRPVODZTASE-CYBMUJFWSA-N 1 2 388.490 -0.220 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 ZINC001652170580 1071536622 /nfs/dbraw/zinc/53/66/22/1071536622.db2.gz XKMPRPVODZTASE-ZDUSSCGKSA-N 1 2 388.490 -0.220 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC001652306758 1071538475 /nfs/dbraw/zinc/53/84/75/1071538475.db2.gz BWBPIXZWQZGJJB-UHFFFAOYSA-N 1 2 387.440 -0.368 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC001652306758 1071538467 /nfs/dbraw/zinc/53/84/67/1071538467.db2.gz BWBPIXZWQZGJJB-UHFFFAOYSA-N 1 2 387.440 -0.368 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)CC1 ZINC001652306799 1071537895 /nfs/dbraw/zinc/53/78/95/1071537895.db2.gz FDNMGMVZRSILTP-HNNXBMFYSA-N 1 2 390.488 -0.525 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)CC1 ZINC001652306799 1071537886 /nfs/dbraw/zinc/53/78/86/1071537886.db2.gz FDNMGMVZRSILTP-HNNXBMFYSA-N 1 2 390.488 -0.525 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)CC1 ZINC001652306800 1071538116 /nfs/dbraw/zinc/53/81/16/1071538116.db2.gz FDNMGMVZRSILTP-OAHLLOKOSA-N 1 2 390.488 -0.525 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)CC1 ZINC001652306800 1071538102 /nfs/dbraw/zinc/53/81/02/1071538102.db2.gz FDNMGMVZRSILTP-OAHLLOKOSA-N 1 2 390.488 -0.525 20 0 GBADLO CNC(=O)CN1CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC001652306850 1071538370 /nfs/dbraw/zinc/53/83/70/1071538370.db2.gz HZNDOPOVXXGHOL-UHFFFAOYSA-N 1 2 377.489 -0.286 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cccn2CCN2CCOCC2)CC1 ZINC001652306850 1071538362 /nfs/dbraw/zinc/53/83/62/1071538362.db2.gz HZNDOPOVXXGHOL-UHFFFAOYSA-N 1 2 377.489 -0.286 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cccn2CCN2CCOCC2)CC1 ZINC001652306850 1071538355 /nfs/dbraw/zinc/53/83/55/1071538355.db2.gz HZNDOPOVXXGHOL-UHFFFAOYSA-N 1 2 377.489 -0.286 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001652306891 1071538528 /nfs/dbraw/zinc/53/85/28/1071538528.db2.gz JSLJMHNBPJMHEF-UHFFFAOYSA-N 1 2 397.520 -0.181 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001652306891 1071538522 /nfs/dbraw/zinc/53/85/22/1071538522.db2.gz JSLJMHNBPJMHEF-UHFFFAOYSA-N 1 2 397.520 -0.181 20 0 GBADLO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)Cc1cccc(C(N)=O)c1 ZINC001652336149 1071538039 /nfs/dbraw/zinc/53/80/39/1071538039.db2.gz GGYSJQSTNGQHNL-UHFFFAOYSA-N 1 2 382.486 -0.243 20 0 GBADLO C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)Cc1cccc(C(N)=O)c1 ZINC001652336149 1071538034 /nfs/dbraw/zinc/53/80/34/1071538034.db2.gz GGYSJQSTNGQHNL-UHFFFAOYSA-N 1 2 382.486 -0.243 20 0 GBADLO NS(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1Br ZINC001652497281 1071539080 /nfs/dbraw/zinc/53/90/80/1071539080.db2.gz PGWMRTSERDJKTO-DTORHVGOSA-N 1 2 388.243 -0.199 20 0 GBADLO NS(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1Br ZINC001652497281 1071539070 /nfs/dbraw/zinc/53/90/70/1071539070.db2.gz PGWMRTSERDJKTO-DTORHVGOSA-N 1 2 388.243 -0.199 20 0 GBADLO Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)N1CC[NH+](C)CC1 ZINC001652545454 1071540578 /nfs/dbraw/zinc/54/05/78/1071540578.db2.gz QIDDXBPSOWPGTM-GFCCVEGCSA-N 1 2 387.531 -0.342 20 0 GBADLO Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)N1CC[NH+](C)CC1 ZINC001652545455 1071540975 /nfs/dbraw/zinc/54/09/75/1071540975.db2.gz QIDDXBPSOWPGTM-LBPRGKRZSA-N 1 2 387.531 -0.342 20 0 GBADLO CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001652546813 1071540922 /nfs/dbraw/zinc/54/09/22/1071540922.db2.gz OJTOONCIKRRIDZ-CABCVRRESA-N 1 2 391.534 -0.175 20 0 GBADLO CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001652546813 1071540920 /nfs/dbraw/zinc/54/09/20/1071540920.db2.gz OJTOONCIKRRIDZ-CABCVRRESA-N 1 2 391.534 -0.175 20 0 GBADLO CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001652546814 1071540533 /nfs/dbraw/zinc/54/05/33/1071540533.db2.gz OJTOONCIKRRIDZ-GJZGRUSLSA-N 1 2 391.534 -0.175 20 0 GBADLO CC(=O)NC[C@H]1C[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001652546814 1071540520 /nfs/dbraw/zinc/54/05/20/1071540520.db2.gz OJTOONCIKRRIDZ-GJZGRUSLSA-N 1 2 391.534 -0.175 20 0 GBADLO CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001652546815 1071540951 /nfs/dbraw/zinc/54/09/51/1071540951.db2.gz OJTOONCIKRRIDZ-HUUCEWRRSA-N 1 2 391.534 -0.175 20 0 GBADLO CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001652546815 1071540948 /nfs/dbraw/zinc/54/09/48/1071540948.db2.gz OJTOONCIKRRIDZ-HUUCEWRRSA-N 1 2 391.534 -0.175 20 0 GBADLO CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001652546816 1071540753 /nfs/dbraw/zinc/54/07/53/1071540753.db2.gz OJTOONCIKRRIDZ-LSDHHAIUSA-N 1 2 391.534 -0.175 20 0 GBADLO CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001652546816 1071540748 /nfs/dbraw/zinc/54/07/48/1071540748.db2.gz OJTOONCIKRRIDZ-LSDHHAIUSA-N 1 2 391.534 -0.175 20 0 GBADLO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1=O ZINC001652560769 1071541508 /nfs/dbraw/zinc/54/15/08/1071541508.db2.gz CTXMAXILCLLHND-AWEZNQCLSA-N 1 2 389.460 -0.625 20 0 GBADLO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1=O ZINC001652560770 1071541695 /nfs/dbraw/zinc/54/16/95/1071541695.db2.gz CTXMAXILCLLHND-CQSZACIVSA-N 1 2 389.460 -0.625 20 0 GBADLO COc1cn(C)nc1[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001652634484 1071542673 /nfs/dbraw/zinc/54/26/73/1071542673.db2.gz GEKYXHHJCIQWFQ-KBPBESRZSA-N 1 2 379.461 -0.213 20 0 GBADLO COc1cn(C)nc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001652634485 1071542554 /nfs/dbraw/zinc/54/25/54/1071542554.db2.gz GEKYXHHJCIQWFQ-KGLIPLIRSA-N 1 2 379.461 -0.213 20 0 GBADLO COc1cn(C)nc1[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001652634486 1071542575 /nfs/dbraw/zinc/54/25/75/1071542575.db2.gz GEKYXHHJCIQWFQ-UONOGXRCSA-N 1 2 379.461 -0.213 20 0 GBADLO COc1cn(C)nc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001652634487 1071542622 /nfs/dbraw/zinc/54/26/22/1071542622.db2.gz GEKYXHHJCIQWFQ-ZIAGYGMSSA-N 1 2 379.461 -0.213 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001652702534 1071544507 /nfs/dbraw/zinc/54/45/07/1071544507.db2.gz CKXJQLCPUYAWBB-OAHLLOKOSA-N 1 2 395.437 -0.381 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001652702534 1071544498 /nfs/dbraw/zinc/54/44/98/1071544498.db2.gz CKXJQLCPUYAWBB-OAHLLOKOSA-N 1 2 395.437 -0.381 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001652703172 1071544630 /nfs/dbraw/zinc/54/46/30/1071544630.db2.gz SHLYNRRNFJPUBK-CQSZACIVSA-N 1 2 380.426 -0.103 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001652703172 1071544625 /nfs/dbraw/zinc/54/46/25/1071544625.db2.gz SHLYNRRNFJPUBK-CQSZACIVSA-N 1 2 380.426 -0.103 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001652703389 1071544756 /nfs/dbraw/zinc/54/47/56/1071544756.db2.gz XTRXYMZTULZXIB-GFCCVEGCSA-N 1 2 377.401 -0.135 20 0 GBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001652703389 1071544748 /nfs/dbraw/zinc/54/47/48/1071544748.db2.gz XTRXYMZTULZXIB-GFCCVEGCSA-N 1 2 377.401 -0.135 20 0 GBADLO COCCOC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC001652721459 1071544295 /nfs/dbraw/zinc/54/42/95/1071544295.db2.gz VAHHJEKXQKPZLN-AWEZNQCLSA-N 1 2 398.485 -0.107 20 0 GBADLO COCCOC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC001652721460 1071544387 /nfs/dbraw/zinc/54/43/87/1071544387.db2.gz VAHHJEKXQKPZLN-CQSZACIVSA-N 1 2 398.485 -0.107 20 0 GBADLO NC(=O)c1ccc(CCN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC001652730507 1071544710 /nfs/dbraw/zinc/54/47/10/1071544710.db2.gz VIRHWESGIRZMLW-UHFFFAOYSA-N 1 2 388.424 -0.159 20 0 GBADLO O=C(CN1CC[NH+](CC2(O)CCCCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001652757893 1071544570 /nfs/dbraw/zinc/54/45/70/1071544570.db2.gz UXJCPYFSMTZXIK-INIZCTEOSA-N 1 2 387.546 -0.007 20 0 GBADLO O=C(CN1CC[NH+](CC2(O)CCCCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001652757894 1071544414 /nfs/dbraw/zinc/54/44/14/1071544414.db2.gz UXJCPYFSMTZXIK-MRXNPFEDSA-N 1 2 387.546 -0.007 20 0 GBADLO CC(=O)NCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC001652815323 1071545270 /nfs/dbraw/zinc/54/52/70/1071545270.db2.gz NRYIMVFRHPGEKI-UHFFFAOYSA-N 1 2 386.474 -0.009 20 0 GBADLO COC(=O)C1(O)C[NH+](C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 ZINC001653006358 1071549191 /nfs/dbraw/zinc/54/91/91/1071549191.db2.gz HZWTZTDVARXLQK-CYBMUJFWSA-N 1 2 385.461 -0.031 20 0 GBADLO COC(=O)C1(O)C[NH+](C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 ZINC001653006359 1071549427 /nfs/dbraw/zinc/54/94/27/1071549427.db2.gz HZWTZTDVARXLQK-ZDUSSCGKSA-N 1 2 385.461 -0.031 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001653068815 1071552048 /nfs/dbraw/zinc/55/20/48/1071552048.db2.gz GGDOFYXZNKHPMN-GXTWGEPZSA-N 1 2 385.490 -0.380 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001653068815 1071552042 /nfs/dbraw/zinc/55/20/42/1071552042.db2.gz GGDOFYXZNKHPMN-GXTWGEPZSA-N 1 2 385.490 -0.380 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001653068828 1071551694 /nfs/dbraw/zinc/55/16/94/1071551694.db2.gz GGDOFYXZNKHPMN-JSGCOSHPSA-N 1 2 385.490 -0.380 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001653068828 1071551684 /nfs/dbraw/zinc/55/16/84/1071551684.db2.gz GGDOFYXZNKHPMN-JSGCOSHPSA-N 1 2 385.490 -0.380 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001653068829 1071551612 /nfs/dbraw/zinc/55/16/12/1071551612.db2.gz GGDOFYXZNKHPMN-OCCSQVGLSA-N 1 2 385.490 -0.380 20 0 GBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001653068829 1071551602 /nfs/dbraw/zinc/55/16/02/1071551602.db2.gz GGDOFYXZNKHPMN-OCCSQVGLSA-N 1 2 385.490 -0.380 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001653068830 1071551643 /nfs/dbraw/zinc/55/16/43/1071551643.db2.gz GGDOFYXZNKHPMN-TZMCWYRMSA-N 1 2 385.490 -0.380 20 0 GBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001653068830 1071551634 /nfs/dbraw/zinc/55/16/34/1071551634.db2.gz GGDOFYXZNKHPMN-TZMCWYRMSA-N 1 2 385.490 -0.380 20 0 GBADLO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)CC1 ZINC001653154379 1071552693 /nfs/dbraw/zinc/55/26/93/1071552693.db2.gz QFNWIQCJDUKQRY-HITAIPBASA-N 1 2 386.489 -0.253 20 0 GBADLO CCOC(=O)C1CCC(O)(C[C@H](O)C[NH+]2CCN(C(=O)[C@H](C)O)CC2)CC1 ZINC001653154380 1071552783 /nfs/dbraw/zinc/55/27/83/1071552783.db2.gz QFNWIQCJDUKQRY-QCTRZYONSA-N 1 2 386.489 -0.253 20 0 GBADLO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH+]2CCN(C(=O)[C@H](C)O)CC2)CC1 ZINC001653154381 1071552476 /nfs/dbraw/zinc/55/24/76/1071552476.db2.gz QFNWIQCJDUKQRY-UYFTZEKXSA-N 1 2 386.489 -0.253 20 0 GBADLO CCOC(=O)C1CCC(O)(C[C@@H](O)C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)CC1 ZINC001653154382 1071552809 /nfs/dbraw/zinc/55/28/09/1071552809.db2.gz QFNWIQCJDUKQRY-XZZQLLPFSA-N 1 2 386.489 -0.253 20 0 GBADLO CCc1ncc(C[NH2+]CCS(=O)(=O)N2CCCC2)n1S(=O)(=O)N(C)C ZINC001653164673 1071552499 /nfs/dbraw/zinc/55/24/99/1071552499.db2.gz BSZTVEKVQCCVIG-UHFFFAOYSA-N 1 2 393.535 -0.385 20 0 GBADLO COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001653268931 1071554153 /nfs/dbraw/zinc/55/41/53/1071554153.db2.gz HVYDYZCYFHRANR-KBPBESRZSA-N 1 2 393.444 -0.675 20 0 GBADLO COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001653268931 1071554150 /nfs/dbraw/zinc/55/41/50/1071554150.db2.gz HVYDYZCYFHRANR-KBPBESRZSA-N 1 2 393.444 -0.675 20 0 GBADLO COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001653268932 1071554367 /nfs/dbraw/zinc/55/43/67/1071554367.db2.gz HVYDYZCYFHRANR-KGLIPLIRSA-N 1 2 393.444 -0.675 20 0 GBADLO COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001653268932 1071554363 /nfs/dbraw/zinc/55/43/63/1071554363.db2.gz HVYDYZCYFHRANR-KGLIPLIRSA-N 1 2 393.444 -0.675 20 0 GBADLO COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001653268933 1071554436 /nfs/dbraw/zinc/55/44/36/1071554436.db2.gz HVYDYZCYFHRANR-UONOGXRCSA-N 1 2 393.444 -0.675 20 0 GBADLO COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001653268933 1071554432 /nfs/dbraw/zinc/55/44/32/1071554432.db2.gz HVYDYZCYFHRANR-UONOGXRCSA-N 1 2 393.444 -0.675 20 0 GBADLO COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001653268934 1071554309 /nfs/dbraw/zinc/55/43/09/1071554309.db2.gz HVYDYZCYFHRANR-ZIAGYGMSSA-N 1 2 393.444 -0.675 20 0 GBADLO COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001653268934 1071554303 /nfs/dbraw/zinc/55/43/03/1071554303.db2.gz HVYDYZCYFHRANR-ZIAGYGMSSA-N 1 2 393.444 -0.675 20 0 GBADLO CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC001653447306 1071557417 /nfs/dbraw/zinc/55/74/17/1071557417.db2.gz YGLXHUXZSQQHJR-UHFFFAOYSA-N 1 2 376.504 -0.682 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC001653512042 1071559638 /nfs/dbraw/zinc/55/96/38/1071559638.db2.gz KRCCJFUFLDGLEK-UHFFFAOYSA-N 1 2 399.502 -0.008 20 0 GBADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(O)(C(N)=O)CC2)c1 ZINC001653587890 1071561502 /nfs/dbraw/zinc/56/15/02/1071561502.db2.gz DXWAKKCHQPFTGR-UHFFFAOYSA-N 1 2 384.458 -0.812 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N=[S@@](C)(=O)N(C)C)CC1 ZINC001653590680 1071562224 /nfs/dbraw/zinc/56/22/24/1071562224.db2.gz CVDLUYYRGJQKJO-HSZRJFAPSA-N 1 2 383.540 -0.614 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N=[S@](C)(=O)N(C)C)CC1 ZINC001653590681 1071562148 /nfs/dbraw/zinc/56/21/48/1071562148.db2.gz CVDLUYYRGJQKJO-QHCPKHFHSA-N 1 2 383.540 -0.614 20 0 GBADLO CN1CCN(S(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001653795038 1071565380 /nfs/dbraw/zinc/56/53/80/1071565380.db2.gz VOIKLVXLHZJPAJ-UHFFFAOYSA-N 1 2 398.529 -0.021 20 0 GBADLO CN1CCN(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC001653807462 1071566306 /nfs/dbraw/zinc/56/63/06/1071566306.db2.gz LRZHTZDTCQPTQQ-UHFFFAOYSA-N 1 2 398.529 -0.021 20 0 GBADLO Cn1nccc1CN1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001653825434 1071565999 /nfs/dbraw/zinc/56/59/99/1071565999.db2.gz DGKJLUUZCDFQQO-MSOLQXFVSA-N 1 2 377.489 -0.056 20 0 GBADLO CNC(=O)NC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC001653894708 1071568105 /nfs/dbraw/zinc/56/81/05/1071568105.db2.gz CCUDLSJHBOSERJ-UHFFFAOYSA-N 1 2 383.474 -0.026 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001653916042 1071568972 /nfs/dbraw/zinc/56/89/72/1071568972.db2.gz ZBANUUHXXSJNFF-DZGCQCFKSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001653916042 1071568965 /nfs/dbraw/zinc/56/89/65/1071568965.db2.gz ZBANUUHXXSJNFF-DZGCQCFKSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001653916043 1071568727 /nfs/dbraw/zinc/56/87/27/1071568727.db2.gz ZBANUUHXXSJNFF-HIFRSBDPSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001653916043 1071568722 /nfs/dbraw/zinc/56/87/22/1071568722.db2.gz ZBANUUHXXSJNFF-HIFRSBDPSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001653916044 1071569258 /nfs/dbraw/zinc/56/92/58/1071569258.db2.gz ZBANUUHXXSJNFF-UKRRQHHQSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001653916044 1071569255 /nfs/dbraw/zinc/56/92/55/1071569255.db2.gz ZBANUUHXXSJNFF-UKRRQHHQSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001653916045 1071570406 /nfs/dbraw/zinc/57/04/06/1071570406.db2.gz ZBANUUHXXSJNFF-ZFWWWQNUSA-N 1 2 385.486 -0.141 20 0 GBADLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001653916045 1071570398 /nfs/dbraw/zinc/57/03/98/1071570398.db2.gz ZBANUUHXXSJNFF-ZFWWWQNUSA-N 1 2 385.486 -0.141 20 0 GBADLO C[NH+]1CCN(C(=O)CNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC001653919836 1071570364 /nfs/dbraw/zinc/57/03/64/1071570364.db2.gz LBFLTWWAFBDBEL-UHFFFAOYSA-N 1 2 385.424 -0.852 20 0 GBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@@H](NC(C)=O)C2)c(=O)[nH]c1=O ZINC001653949309 1071569760 /nfs/dbraw/zinc/56/97/60/1071569760.db2.gz JZCTVJZRJVLDIG-CYBMUJFWSA-N 1 2 394.476 -0.106 20 0 GBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(=O)[nH]c1=O ZINC001653949309 1071569748 /nfs/dbraw/zinc/56/97/48/1071569748.db2.gz JZCTVJZRJVLDIG-CYBMUJFWSA-N 1 2 394.476 -0.106 20 0 GBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@H](NC(C)=O)C2)c(=O)[nH]c1=O ZINC001653949410 1071570022 /nfs/dbraw/zinc/57/00/22/1071570022.db2.gz JZCTVJZRJVLDIG-ZDUSSCGKSA-N 1 2 394.476 -0.106 20 0 GBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@H](NC(C)=O)C2)c(=O)[nH]c1=O ZINC001653949410 1071570016 /nfs/dbraw/zinc/57/00/16/1071570016.db2.gz JZCTVJZRJVLDIG-ZDUSSCGKSA-N 1 2 394.476 -0.106 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n[nH]1 ZINC001653959813 1071569903 /nfs/dbraw/zinc/56/99/03/1071569903.db2.gz VWINJPUYKOBPIB-GFCCVEGCSA-N 1 2 387.462 -0.583 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n[nH]1 ZINC001653959813 1071569895 /nfs/dbraw/zinc/56/98/95/1071569895.db2.gz VWINJPUYKOBPIB-GFCCVEGCSA-N 1 2 387.462 -0.583 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n[nH]1 ZINC001653959814 1071570030 /nfs/dbraw/zinc/57/00/30/1071570030.db2.gz VWINJPUYKOBPIB-LBPRGKRZSA-N 1 2 387.462 -0.583 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n[nH]1 ZINC001653959814 1071570027 /nfs/dbraw/zinc/57/00/27/1071570027.db2.gz VWINJPUYKOBPIB-LBPRGKRZSA-N 1 2 387.462 -0.583 20 0 GBADLO COC(=O)[C@@H](O)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001653985820 1071570846 /nfs/dbraw/zinc/57/08/46/1071570846.db2.gz BREXGFCSFLYIPH-AWEZNQCLSA-N 1 2 378.429 -0.449 20 0 GBADLO C[C@H](O)C(=O)N1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001654019907 1071571192 /nfs/dbraw/zinc/57/11/92/1071571192.db2.gz UOQDLGPAKDXBIX-KBPBESRZSA-N 1 2 391.534 -0.487 20 0 GBADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001654019908 1071571241 /nfs/dbraw/zinc/57/12/41/1071571241.db2.gz UOQDLGPAKDXBIX-KGLIPLIRSA-N 1 2 391.534 -0.487 20 0 GBADLO C[C@H](O)C(=O)N1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001654019909 1071571061 /nfs/dbraw/zinc/57/10/61/1071571061.db2.gz UOQDLGPAKDXBIX-UONOGXRCSA-N 1 2 391.534 -0.487 20 0 GBADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001654019910 1071571263 /nfs/dbraw/zinc/57/12/63/1071571263.db2.gz UOQDLGPAKDXBIX-ZIAGYGMSSA-N 1 2 391.534 -0.487 20 0 GBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001654131053 1071572904 /nfs/dbraw/zinc/57/29/04/1071572904.db2.gz KNNDSWJPIIQEBO-HNNXBMFYSA-N 1 2 396.513 -0.132 20 0 GBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001654131053 1071572901 /nfs/dbraw/zinc/57/29/01/1071572901.db2.gz KNNDSWJPIIQEBO-HNNXBMFYSA-N 1 2 396.513 -0.132 20 0 GBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001654131054 1071572991 /nfs/dbraw/zinc/57/29/91/1071572991.db2.gz KNNDSWJPIIQEBO-OAHLLOKOSA-N 1 2 396.513 -0.132 20 0 GBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001654131054 1071572989 /nfs/dbraw/zinc/57/29/89/1071572989.db2.gz KNNDSWJPIIQEBO-OAHLLOKOSA-N 1 2 396.513 -0.132 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)CC1 ZINC001654323346 1071575732 /nfs/dbraw/zinc/57/57/32/1071575732.db2.gz OKNUCXIVRZQBKE-LLVKDONJSA-N 1 2 387.462 -0.505 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)CC1 ZINC001654323346 1071575729 /nfs/dbraw/zinc/57/57/29/1071575729.db2.gz OKNUCXIVRZQBKE-LLVKDONJSA-N 1 2 387.462 -0.505 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)CC1 ZINC001654323347 1071576081 /nfs/dbraw/zinc/57/60/81/1071576081.db2.gz OKNUCXIVRZQBKE-NSHDSACASA-N 1 2 387.462 -0.505 20 0 GBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)CC1 ZINC001654323347 1071576075 /nfs/dbraw/zinc/57/60/75/1071576075.db2.gz OKNUCXIVRZQBKE-NSHDSACASA-N 1 2 387.462 -0.505 20 0 GBADLO NS(=O)(=O)CCN1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC001654369643 1071576118 /nfs/dbraw/zinc/57/61/18/1071576118.db2.gz DECPXKHGDHQESY-UHFFFAOYSA-N 1 2 379.442 -0.376 20 0 GBADLO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001654442261 1071576604 /nfs/dbraw/zinc/57/66/04/1071576604.db2.gz UFBCWFXMVMXHCK-HNNXBMFYSA-N 1 2 386.408 -0.002 20 0 GBADLO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001654442262 1071576926 /nfs/dbraw/zinc/57/69/26/1071576926.db2.gz UFBCWFXMVMXHCK-OAHLLOKOSA-N 1 2 386.408 -0.002 20 0 GBADLO O=C(C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1cc(-n2cnnn2)ccc1Cl ZINC001654514787 1071578362 /nfs/dbraw/zinc/57/83/62/1071578362.db2.gz XCWMMYPYRCDFBY-AOOOYVTPSA-N 1 2 375.776 -0.541 20 0 GBADLO O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1cc(-n2cnnn2)ccc1Cl ZINC001654514787 1071578357 /nfs/dbraw/zinc/57/83/57/1071578357.db2.gz XCWMMYPYRCDFBY-AOOOYVTPSA-N 1 2 375.776 -0.541 20 0 GBADLO CCNS(=O)(=O)c1ccc(CNS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC001654524684 1071578535 /nfs/dbraw/zinc/57/85/35/1071578535.db2.gz AXGXPRYRBHPILO-UHFFFAOYSA-N 1 2 376.504 -0.433 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC001654560580 1071578493 /nfs/dbraw/zinc/57/84/93/1071578493.db2.gz XQHBEKVDDNGAHB-NOZJJQNGSA-N 1 2 377.445 -0.787 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC001654560580 1071578484 /nfs/dbraw/zinc/57/84/84/1071578484.db2.gz XQHBEKVDDNGAHB-NOZJJQNGSA-N 1 2 377.445 -0.787 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC001654560581 1071578389 /nfs/dbraw/zinc/57/83/89/1071578389.db2.gz XQHBEKVDDNGAHB-RNCFNFMXSA-N 1 2 377.445 -0.787 20 0 GBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC001654560581 1071578383 /nfs/dbraw/zinc/57/83/83/1071578383.db2.gz XQHBEKVDDNGAHB-RNCFNFMXSA-N 1 2 377.445 -0.787 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC001654560634 1071578247 /nfs/dbraw/zinc/57/82/47/1071578247.db2.gz XQHBEKVDDNGAHB-TVQRCGJNSA-N 1 2 377.445 -0.787 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC001654560634 1071578241 /nfs/dbraw/zinc/57/82/41/1071578241.db2.gz XQHBEKVDDNGAHB-TVQRCGJNSA-N 1 2 377.445 -0.787 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC001654560636 1071578138 /nfs/dbraw/zinc/57/81/38/1071578138.db2.gz XQHBEKVDDNGAHB-ZANVPECISA-N 1 2 377.445 -0.787 20 0 GBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC001654560636 1071578136 /nfs/dbraw/zinc/57/81/36/1071578136.db2.gz XQHBEKVDDNGAHB-ZANVPECISA-N 1 2 377.445 -0.787 20 0 GBADLO Cc1cccc(C)c1OCCNC(=O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001654572027 1071579277 /nfs/dbraw/zinc/57/92/77/1071579277.db2.gz HHUPWWWPAGDTHL-UHFFFAOYSA-N 1 2 397.497 -0.179 20 0 GBADLO NC(=O)C1([NH2+]CC(=O)NCC2(c3ccccc3)CC2)CCS(=O)(=O)CC1 ZINC001654572681 1071579409 /nfs/dbraw/zinc/57/94/09/1071579409.db2.gz PAKKEOSJIDQXPT-UHFFFAOYSA-N 1 2 379.482 -0.143 20 0 GBADLO Cn1nc(C(C)(C)C)cc1NC(=O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001654574446 1071579425 /nfs/dbraw/zinc/57/94/25/1071579425.db2.gz BYRUTNLOBXVHFC-UHFFFAOYSA-N 1 2 385.490 -0.322 20 0 GBADLO CN(C)C(=O)c1ccc(NC(=O)C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)cc1 ZINC001654574459 1071579268 /nfs/dbraw/zinc/57/92/68/1071579268.db2.gz CNFLBRQIICRSAW-UHFFFAOYSA-N 1 2 396.469 -0.651 20 0 GBADLO NC(=O)C1([NH2+]CC(=O)Nc2ccnn2C2CCCC2)CCS(=O)(=O)CC1 ZINC001654574983 1071579353 /nfs/dbraw/zinc/57/93/53/1071579353.db2.gz MDHBIKQPIOPNDO-UHFFFAOYSA-N 1 2 383.474 -0.041 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C1 ZINC001654620070 1071579384 /nfs/dbraw/zinc/57/93/84/1071579384.db2.gz NJLQQGSCMQYJNP-GOSISDBHSA-N 1 2 379.413 -0.332 20 0 GBADLO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C1 ZINC001654620070 1071579380 /nfs/dbraw/zinc/57/93/80/1071579380.db2.gz NJLQQGSCMQYJNP-GOSISDBHSA-N 1 2 379.413 -0.332 20 0 GBADLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C1 ZINC001654620073 1071579230 /nfs/dbraw/zinc/57/92/30/1071579230.db2.gz NJLQQGSCMQYJNP-SFHVURJKSA-N 1 2 379.413 -0.332 20 0 GBADLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C1 ZINC001654620073 1071579226 /nfs/dbraw/zinc/57/92/26/1071579226.db2.gz NJLQQGSCMQYJNP-SFHVURJKSA-N 1 2 379.413 -0.332 20 0 GBADLO COC1(OC)CC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001654637577 1071580104 /nfs/dbraw/zinc/58/01/04/1071580104.db2.gz LIMUKXIPHFVWQT-BXUZGUMPSA-N 1 2 387.458 -0.283 20 0 GBADLO COC1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001654637577 1071580096 /nfs/dbraw/zinc/58/00/96/1071580096.db2.gz LIMUKXIPHFVWQT-BXUZGUMPSA-N 1 2 387.458 -0.283 20 0 GBADLO COC1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001654637578 1071580184 /nfs/dbraw/zinc/58/01/84/1071580184.db2.gz LIMUKXIPHFVWQT-FZMZJTMJSA-N 1 2 387.458 -0.283 20 0 GBADLO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001654637578 1071580180 /nfs/dbraw/zinc/58/01/80/1071580180.db2.gz LIMUKXIPHFVWQT-FZMZJTMJSA-N 1 2 387.458 -0.283 20 0 GBADLO COC1(OC)CC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001654637579 1071580267 /nfs/dbraw/zinc/58/02/67/1071580267.db2.gz LIMUKXIPHFVWQT-RISCZKNCSA-N 1 2 387.458 -0.283 20 0 GBADLO COC1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001654637579 1071580262 /nfs/dbraw/zinc/58/02/62/1071580262.db2.gz LIMUKXIPHFVWQT-RISCZKNCSA-N 1 2 387.458 -0.283 20 0 GBADLO COC1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001654637580 1071580005 /nfs/dbraw/zinc/58/00/05/1071580005.db2.gz LIMUKXIPHFVWQT-SMDDNHRTSA-N 1 2 387.458 -0.283 20 0 GBADLO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001654637580 1071580002 /nfs/dbraw/zinc/58/00/02/1071580002.db2.gz LIMUKXIPHFVWQT-SMDDNHRTSA-N 1 2 387.458 -0.283 20 0 GBADLO COC1(OC)CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H]1O ZINC001654638488 1071579889 /nfs/dbraw/zinc/57/98/89/1071579889.db2.gz XCEGKZPXVAOXPR-HNNXBMFYSA-N 1 2 399.469 -0.721 20 0 GBADLO COC1(OC)CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H]1O ZINC001654638488 1071579885 /nfs/dbraw/zinc/57/98/85/1071579885.db2.gz XCEGKZPXVAOXPR-HNNXBMFYSA-N 1 2 399.469 -0.721 20 0 GBADLO COC1(OC)CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H]1O ZINC001654638489 1071580135 /nfs/dbraw/zinc/58/01/35/1071580135.db2.gz XCEGKZPXVAOXPR-OAHLLOKOSA-N 1 2 399.469 -0.721 20 0 GBADLO COC1(OC)CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H]1O ZINC001654638489 1071580124 /nfs/dbraw/zinc/58/01/24/1071580124.db2.gz XCEGKZPXVAOXPR-OAHLLOKOSA-N 1 2 399.469 -0.721 20 0 GBADLO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@H+]2CCC(=O)NCC23COC3)CC1 ZINC001654641675 1071580207 /nfs/dbraw/zinc/58/02/07/1071580207.db2.gz OEAMTXBUFPOMRQ-HVEKOLDVSA-N 1 2 384.473 -0.187 20 0 GBADLO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+]2CCC(=O)NCC23COC3)CC1 ZINC001654641675 1071580201 /nfs/dbraw/zinc/58/02/01/1071580201.db2.gz OEAMTXBUFPOMRQ-HVEKOLDVSA-N 1 2 384.473 -0.187 20 0 GBADLO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@H+]2CCC(=O)NCC23COC3)CC1 ZINC001654641676 1071580332 /nfs/dbraw/zinc/58/03/32/1071580332.db2.gz OEAMTXBUFPOMRQ-XAUUPUKJSA-N 1 2 384.473 -0.187 20 0 GBADLO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@@H+]2CCC(=O)NCC23COC3)CC1 ZINC001654641676 1071580328 /nfs/dbraw/zinc/58/03/28/1071580328.db2.gz OEAMTXBUFPOMRQ-XAUUPUKJSA-N 1 2 384.473 -0.187 20 0 GBADLO COc1ccc(NC(=O)C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001654688415 1071580957 /nfs/dbraw/zinc/58/09/57/1071580957.db2.gz VHEVHXYXUBXBJA-AAEUAGOBSA-N 1 2 387.458 -0.831 20 0 GBADLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001654688415 1071580952 /nfs/dbraw/zinc/58/09/52/1071580952.db2.gz VHEVHXYXUBXBJA-AAEUAGOBSA-N 1 2 387.458 -0.831 20 0 GBADLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1S(=O)(=O)N(C)C ZINC001654688416 1071580705 /nfs/dbraw/zinc/58/07/05/1071580705.db2.gz VHEVHXYXUBXBJA-DGCLKSJQSA-N 1 2 387.458 -0.831 20 0 GBADLO COc1ccc(NC(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1S(=O)(=O)N(C)C ZINC001654688416 1071580696 /nfs/dbraw/zinc/58/06/96/1071580696.db2.gz VHEVHXYXUBXBJA-DGCLKSJQSA-N 1 2 387.458 -0.831 20 0 GBADLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001654688417 1071581007 /nfs/dbraw/zinc/58/10/07/1071581007.db2.gz VHEVHXYXUBXBJA-WCQYABFASA-N 1 2 387.458 -0.831 20 0 GBADLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001654688417 1071581003 /nfs/dbraw/zinc/58/10/03/1071581003.db2.gz VHEVHXYXUBXBJA-WCQYABFASA-N 1 2 387.458 -0.831 20 0 GBADLO COc1ccc(NC(=O)C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001654688418 1071580842 /nfs/dbraw/zinc/58/08/42/1071580842.db2.gz VHEVHXYXUBXBJA-YPMHNXCESA-N 1 2 387.458 -0.831 20 0 GBADLO COc1ccc(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001654688418 1071580837 /nfs/dbraw/zinc/58/08/37/1071580837.db2.gz VHEVHXYXUBXBJA-YPMHNXCESA-N 1 2 387.458 -0.831 20 0 GBADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CCCCS(N)(=O)=O ZINC001654714759 1071581753 /nfs/dbraw/zinc/58/17/53/1071581753.db2.gz ZCZMMHCREZHVHG-UHFFFAOYSA-N 1 2 385.552 -0.325 20 0 GBADLO CC(=O)N1CCC(NC(=O)C[NH+]2CCC(N3CCCS3(=O)=O)CC2)CC1 ZINC001654716338 1071581499 /nfs/dbraw/zinc/58/14/99/1071581499.db2.gz DASVCZBTQNFPSA-UHFFFAOYSA-N 1 2 386.518 -0.387 20 0 GBADLO CNC(=O)NC1CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC001654732775 1071582329 /nfs/dbraw/zinc/58/23/29/1071582329.db2.gz GZCDSLUBHLYKFB-UHFFFAOYSA-N 1 2 395.485 -0.384 20 0 GBADLO CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001654780962 1071584049 /nfs/dbraw/zinc/58/40/49/1071584049.db2.gz YBBDMLZPQHQUNT-UHFFFAOYSA-N 1 2 382.552 -0.482 20 0 GBADLO CNC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001654781721 1071584308 /nfs/dbraw/zinc/58/43/08/1071584308.db2.gz UPTALIRZVOUCTR-AWEZNQCLSA-N 1 2 397.501 -0.614 20 0 GBADLO CNC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001654781721 1071584302 /nfs/dbraw/zinc/58/43/02/1071584302.db2.gz UPTALIRZVOUCTR-AWEZNQCLSA-N 1 2 397.501 -0.614 20 0 GBADLO CNC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001654781722 1071584327 /nfs/dbraw/zinc/58/43/27/1071584327.db2.gz UPTALIRZVOUCTR-CQSZACIVSA-N 1 2 397.501 -0.614 20 0 GBADLO CNC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001654781722 1071584322 /nfs/dbraw/zinc/58/43/22/1071584322.db2.gz UPTALIRZVOUCTR-CQSZACIVSA-N 1 2 397.501 -0.614 20 0 GBADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC001654786131 1071584419 /nfs/dbraw/zinc/58/44/19/1071584419.db2.gz UXCKHSCHDMZUIA-GOSISDBHSA-N 1 2 388.468 -0.014 20 0 GBADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC001654786131 1071584410 /nfs/dbraw/zinc/58/44/10/1071584410.db2.gz UXCKHSCHDMZUIA-GOSISDBHSA-N 1 2 388.468 -0.014 20 0 GBADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC001654786134 1071584446 /nfs/dbraw/zinc/58/44/46/1071584446.db2.gz UXCKHSCHDMZUIA-SFHVURJKSA-N 1 2 388.468 -0.014 20 0 GBADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC001654786134 1071584442 /nfs/dbraw/zinc/58/44/42/1071584442.db2.gz UXCKHSCHDMZUIA-SFHVURJKSA-N 1 2 388.468 -0.014 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NCc1cccnc1)C[C@H](O)CO ZINC001654816833 1071584918 /nfs/dbraw/zinc/58/49/18/1071584918.db2.gz GTAOINMIHANFBE-HNNXBMFYSA-N 1 2 382.461 -0.122 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NCc1cccnc1)C[C@H](O)CO ZINC001654816833 1071584916 /nfs/dbraw/zinc/58/49/16/1071584916.db2.gz GTAOINMIHANFBE-HNNXBMFYSA-N 1 2 382.461 -0.122 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NCc1cccnc1)C[C@@H](O)CO ZINC001654816834 1071585301 /nfs/dbraw/zinc/58/53/01/1071585301.db2.gz GTAOINMIHANFBE-OAHLLOKOSA-N 1 2 382.461 -0.122 20 0 GBADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NCc1cccnc1)C[C@@H](O)CO ZINC001654816834 1071585294 /nfs/dbraw/zinc/58/52/94/1071585294.db2.gz GTAOINMIHANFBE-OAHLLOKOSA-N 1 2 382.461 -0.122 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001654848080 1071584934 /nfs/dbraw/zinc/58/49/34/1071584934.db2.gz KGXZNWJFZHHERK-UHFFFAOYSA-N 1 2 397.520 -0.181 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001654848080 1071584930 /nfs/dbraw/zinc/58/49/30/1071584930.db2.gz KGXZNWJFZHHERK-UHFFFAOYSA-N 1 2 397.520 -0.181 20 0 GBADLO CN(CCCNC(=O)C[NH+]1CCC(CN=S(C)(C)=O)CC1)S(C)(=O)=O ZINC001654848596 1071585203 /nfs/dbraw/zinc/58/52/03/1071585203.db2.gz UQXUPWFSKARUEX-UHFFFAOYSA-N 1 2 396.579 -0.176 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)Nc2nc(CC(=O)OC)cs2)CC1 ZINC001654848699 1071585227 /nfs/dbraw/zinc/58/52/27/1071585227.db2.gz ZFXQEDILOCQVKC-UHFFFAOYSA-N 1 2 383.474 -0.449 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)Nc2nc(CC(=O)OC)cs2)CC1 ZINC001654848699 1071585224 /nfs/dbraw/zinc/58/52/24/1071585224.db2.gz ZFXQEDILOCQVKC-UHFFFAOYSA-N 1 2 383.474 -0.449 20 0 GBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2[C@H](CO)CC[C@H]2CO)C1=O ZINC001654877223 1071585973 /nfs/dbraw/zinc/58/59/73/1071585973.db2.gz VLGCHRZQMGHOOL-DOXZYTNZSA-N 1 2 390.440 -0.308 20 0 GBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2[C@H](CO)CC[C@H]2CO)C1=O ZINC001654877224 1071585794 /nfs/dbraw/zinc/58/57/94/1071585794.db2.gz VLGCHRZQMGHOOL-YZVOILCLSA-N 1 2 390.440 -0.308 20 0 GBADLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001654878457 1071586087 /nfs/dbraw/zinc/58/60/87/1071586087.db2.gz HSCREBOWRUJLIO-OAHLLOKOSA-N 1 2 382.486 -0.407 20 0 GBADLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001654878457 1071586078 /nfs/dbraw/zinc/58/60/78/1071586078.db2.gz HSCREBOWRUJLIO-OAHLLOKOSA-N 1 2 382.486 -0.407 20 0 GBADLO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001654882325 1071586055 /nfs/dbraw/zinc/58/60/55/1071586055.db2.gz VTSUNYBVFOXVQP-CHWSQXEVSA-N 1 2 387.458 -0.722 20 0 GBADLO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001654882325 1071586048 /nfs/dbraw/zinc/58/60/48/1071586048.db2.gz VTSUNYBVFOXVQP-CHWSQXEVSA-N 1 2 387.458 -0.722 20 0 GBADLO COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001654882331 1071585866 /nfs/dbraw/zinc/58/58/66/1071585866.db2.gz VTSUNYBVFOXVQP-OLZOCXBDSA-N 1 2 387.458 -0.722 20 0 GBADLO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001654882331 1071585862 /nfs/dbraw/zinc/58/58/62/1071585862.db2.gz VTSUNYBVFOXVQP-OLZOCXBDSA-N 1 2 387.458 -0.722 20 0 GBADLO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001654882332 1071585781 /nfs/dbraw/zinc/58/57/81/1071585781.db2.gz VTSUNYBVFOXVQP-QWHCGFSZSA-N 1 2 387.458 -0.722 20 0 GBADLO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001654882332 1071585776 /nfs/dbraw/zinc/58/57/76/1071585776.db2.gz VTSUNYBVFOXVQP-QWHCGFSZSA-N 1 2 387.458 -0.722 20 0 GBADLO COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001654882333 1071585850 /nfs/dbraw/zinc/58/58/50/1071585850.db2.gz VTSUNYBVFOXVQP-STQMWFEESA-N 1 2 387.458 -0.722 20 0 GBADLO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001654882333 1071585847 /nfs/dbraw/zinc/58/58/47/1071585847.db2.gz VTSUNYBVFOXVQP-STQMWFEESA-N 1 2 387.458 -0.722 20 0 GBADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001654915465 1071586659 /nfs/dbraw/zinc/58/66/59/1071586659.db2.gz MJFKHFVHJWIPNL-GQIGUUNPSA-N 1 2 391.468 -0.290 20 0 GBADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001654915465 1071586651 /nfs/dbraw/zinc/58/66/51/1071586651.db2.gz MJFKHFVHJWIPNL-GQIGUUNPSA-N 1 2 391.468 -0.290 20 0 GBADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001654915466 1071586947 /nfs/dbraw/zinc/58/69/47/1071586947.db2.gz MJFKHFVHJWIPNL-GUXCAODWSA-N 1 2 391.468 -0.290 20 0 GBADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001654915466 1071586943 /nfs/dbraw/zinc/58/69/43/1071586943.db2.gz MJFKHFVHJWIPNL-GUXCAODWSA-N 1 2 391.468 -0.290 20 0 GBADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001654915467 1071586907 /nfs/dbraw/zinc/58/69/07/1071586907.db2.gz MJFKHFVHJWIPNL-JXXFODFXSA-N 1 2 391.468 -0.290 20 0 GBADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001654915467 1071586905 /nfs/dbraw/zinc/58/69/05/1071586905.db2.gz MJFKHFVHJWIPNL-JXXFODFXSA-N 1 2 391.468 -0.290 20 0 GBADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001654915468 1071586577 /nfs/dbraw/zinc/58/65/77/1071586577.db2.gz MJFKHFVHJWIPNL-QINHECLXSA-N 1 2 391.468 -0.290 20 0 GBADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001654915468 1071586569 /nfs/dbraw/zinc/58/65/69/1071586569.db2.gz MJFKHFVHJWIPNL-QINHECLXSA-N 1 2 391.468 -0.290 20 0 GBADLO CC(=O)NCCN([C@H](C)C(=O)OC(C)(C)C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001654924268 1071586846 /nfs/dbraw/zinc/58/68/46/1071586846.db2.gz LXEODAMMAFQEQN-CYBMUJFWSA-N 1 2 392.522 -0.353 20 0 GBADLO CC(=O)NCCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001654924270 1071586609 /nfs/dbraw/zinc/58/66/09/1071586609.db2.gz LXEODAMMAFQEQN-ZDUSSCGKSA-N 1 2 392.522 -0.353 20 0 GBADLO COC(=O)Cc1csc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n1 ZINC001654947479 1071587693 /nfs/dbraw/zinc/58/76/93/1071587693.db2.gz MKARAKDGMYKZGG-ZJUUUORDSA-N 1 2 390.487 -0.347 20 0 GBADLO COC(=O)Cc1csc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n1 ZINC001654947479 1071587691 /nfs/dbraw/zinc/58/76/91/1071587691.db2.gz MKARAKDGMYKZGG-ZJUUUORDSA-N 1 2 390.487 -0.347 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H]2C2OCCO2)cc1 ZINC001654953323 1071587723 /nfs/dbraw/zinc/58/77/23/1071587723.db2.gz MEDPIHVTCFYLEZ-HNNXBMFYSA-N 1 2 383.470 -0.170 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]2C2OCCO2)cc1 ZINC001654953323 1071587718 /nfs/dbraw/zinc/58/77/18/1071587718.db2.gz MEDPIHVTCFYLEZ-HNNXBMFYSA-N 1 2 383.470 -0.170 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC001654953324 1071587530 /nfs/dbraw/zinc/58/75/30/1071587530.db2.gz MEDPIHVTCFYLEZ-OAHLLOKOSA-N 1 2 383.470 -0.170 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC001654953324 1071587522 /nfs/dbraw/zinc/58/75/22/1071587522.db2.gz MEDPIHVTCFYLEZ-OAHLLOKOSA-N 1 2 383.470 -0.170 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001655005522 1071588700 /nfs/dbraw/zinc/58/87/00/1071588700.db2.gz RKTPFWMBCMZUJG-RLFYNMQTSA-N 1 2 393.513 -0.120 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001655005522 1071588694 /nfs/dbraw/zinc/58/86/94/1071588694.db2.gz RKTPFWMBCMZUJG-RLFYNMQTSA-N 1 2 393.513 -0.120 20 0 GBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001655005523 1071588499 /nfs/dbraw/zinc/58/84/99/1071588499.db2.gz RKTPFWMBCMZUJG-RVKKMQEKSA-N 1 2 393.513 -0.120 20 0 GBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001655005523 1071588491 /nfs/dbraw/zinc/58/84/91/1071588491.db2.gz RKTPFWMBCMZUJG-RVKKMQEKSA-N 1 2 393.513 -0.120 20 0 GBADLO Cn1ncc(I)c1C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001655061862 1071589713 /nfs/dbraw/zinc/58/97/13/1071589713.db2.gz YOZYWVXFFZNTRE-BQBZGAKWSA-N 1 2 377.186 -0.957 20 0 GBADLO Cn1ncc(I)c1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001655061863 1071589235 /nfs/dbraw/zinc/58/92/35/1071589235.db2.gz YOZYWVXFFZNTRE-KNVOCYPGSA-N 1 2 377.186 -0.957 20 0 GBADLO Cn1ncc(I)c1C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001655061863 1071589228 /nfs/dbraw/zinc/58/92/28/1071589228.db2.gz YOZYWVXFFZNTRE-KNVOCYPGSA-N 1 2 377.186 -0.957 20 0 GBADLO Cn1ncc(I)c1C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001655061864 1071589643 /nfs/dbraw/zinc/58/96/43/1071589643.db2.gz YOZYWVXFFZNTRE-RNFRBKRXSA-N 1 2 377.186 -0.957 20 0 GBADLO CN(CCCNC(=O)C[N@H+]1CCc2nc[nH]c2C12CCOCC2)S(C)(=O)=O ZINC001655086368 1071589316 /nfs/dbraw/zinc/58/93/16/1071589316.db2.gz HRZKITSXAISUBN-UHFFFAOYSA-N 1 2 399.517 -0.329 20 0 GBADLO CN(CCCNC(=O)C[N@@H+]1CCc2nc[nH]c2C12CCOCC2)S(C)(=O)=O ZINC001655086368 1071589306 /nfs/dbraw/zinc/58/93/06/1071589306.db2.gz HRZKITSXAISUBN-UHFFFAOYSA-N 1 2 399.517 -0.329 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@H+]1C[C@H](CO)[C@@H](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001655116214 1071590191 /nfs/dbraw/zinc/59/01/91/1071590191.db2.gz CXHMHDMCIHGCPB-CAOSSQGBSA-N 1 2 376.519 -0.277 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@@H](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001655116214 1071590182 /nfs/dbraw/zinc/59/01/82/1071590182.db2.gz CXHMHDMCIHGCPB-CAOSSQGBSA-N 1 2 376.519 -0.277 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@H+]1C[C@H](CO)[C@H](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001655116215 1071590304 /nfs/dbraw/zinc/59/03/04/1071590304.db2.gz CXHMHDMCIHGCPB-JJXSEGSLSA-N 1 2 376.519 -0.277 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@H](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001655116215 1071590299 /nfs/dbraw/zinc/59/02/99/1071590299.db2.gz CXHMHDMCIHGCPB-JJXSEGSLSA-N 1 2 376.519 -0.277 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@H+]1C[C@H](CO)[C@@H](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001655116216 1071590072 /nfs/dbraw/zinc/59/00/72/1071590072.db2.gz CXHMHDMCIHGCPB-JONQDZQNSA-N 1 2 376.519 -0.277 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@@H](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001655116216 1071590067 /nfs/dbraw/zinc/59/00/67/1071590067.db2.gz CXHMHDMCIHGCPB-JONQDZQNSA-N 1 2 376.519 -0.277 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@H+]1C[C@H](CO)[C@H](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001655116217 1071590599 /nfs/dbraw/zinc/59/05/99/1071590599.db2.gz CXHMHDMCIHGCPB-ZJIFWQFVSA-N 1 2 376.519 -0.277 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@@H+]1C[C@H](CO)[C@H](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001655116217 1071590593 /nfs/dbraw/zinc/59/05/93/1071590593.db2.gz CXHMHDMCIHGCPB-ZJIFWQFVSA-N 1 2 376.519 -0.277 20 0 GBADLO C[C@@H](CCNS(=O)(=O)c1ccccc1)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001655121455 1071590656 /nfs/dbraw/zinc/59/06/56/1071590656.db2.gz GCEUJSDEECVSBV-AWEZNQCLSA-N 1 2 390.531 -0.175 20 0 GBADLO C[C@H](CCNS(=O)(=O)c1ccccc1)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001655121456 1071590168 /nfs/dbraw/zinc/59/01/68/1071590168.db2.gz GCEUJSDEECVSBV-CQSZACIVSA-N 1 2 390.531 -0.175 20 0 GBADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO)C2=O ZINC001655214218 1071590456 /nfs/dbraw/zinc/59/04/56/1071590456.db2.gz FNEQKJPQRPSMFU-RYTBJUFESA-N 1 2 382.461 -0.417 20 0 GBADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO)C2=O ZINC001655214218 1071590449 /nfs/dbraw/zinc/59/04/49/1071590449.db2.gz FNEQKJPQRPSMFU-RYTBJUFESA-N 1 2 382.461 -0.417 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC001655338077 1071592646 /nfs/dbraw/zinc/59/26/46/1071592646.db2.gz NXNDLFWSGNDTCK-AWEZNQCLSA-N 1 2 382.490 -0.732 20 0 GBADLO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC001655338077 1071592637 /nfs/dbraw/zinc/59/26/37/1071592637.db2.gz NXNDLFWSGNDTCK-AWEZNQCLSA-N 1 2 382.490 -0.732 20 0 GBADLO NS(=O)(=O)C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC001655338078 1071592700 /nfs/dbraw/zinc/59/27/00/1071592700.db2.gz NXNDLFWSGNDTCK-CQSZACIVSA-N 1 2 382.490 -0.732 20 0 GBADLO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC001655338078 1071592686 /nfs/dbraw/zinc/59/26/86/1071592686.db2.gz NXNDLFWSGNDTCK-CQSZACIVSA-N 1 2 382.490 -0.732 20 0 GBADLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC001655354910 1071593918 /nfs/dbraw/zinc/59/39/18/1071593918.db2.gz HMNBRHTWURWMEV-TXEJJXNPSA-N 1 2 387.375 -0.405 20 0 GBADLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC001655354910 1071593905 /nfs/dbraw/zinc/59/39/05/1071593905.db2.gz HMNBRHTWURWMEV-TXEJJXNPSA-N 1 2 387.375 -0.405 20 0 GBADLO COCc1ccc(CNC(=O)C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)cc1 ZINC001655386685 1071593942 /nfs/dbraw/zinc/59/39/42/1071593942.db2.gz LYKFBMWBBSUAJC-UHFFFAOYSA-N 1 2 383.470 -0.529 20 0 GBADLO COCc1cccc(CNC(=O)C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)c1 ZINC001655386838 1071593792 /nfs/dbraw/zinc/59/37/92/1071593792.db2.gz QEJIKSDAVOYBKW-UHFFFAOYSA-N 1 2 383.470 -0.529 20 0 GBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)C1=O ZINC001655395422 1071593859 /nfs/dbraw/zinc/59/38/59/1071593859.db2.gz CRVKZUGEYFBHPZ-BIENJYKASA-N 1 2 390.440 -0.593 20 0 GBADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](CO)C2)C1=O ZINC001655395422 1071593850 /nfs/dbraw/zinc/59/38/50/1071593850.db2.gz CRVKZUGEYFBHPZ-BIENJYKASA-N 1 2 390.440 -0.593 20 0 GBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)C1=O ZINC001655395423 1071594004 /nfs/dbraw/zinc/59/40/04/1071594004.db2.gz CRVKZUGEYFBHPZ-KSMMKXTCSA-N 1 2 390.440 -0.593 20 0 GBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](CO)C2)C1=O ZINC001655395423 1071593996 /nfs/dbraw/zinc/59/39/96/1071593996.db2.gz CRVKZUGEYFBHPZ-KSMMKXTCSA-N 1 2 390.440 -0.593 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)cc1 ZINC001655425248 1071594451 /nfs/dbraw/zinc/59/44/51/1071594451.db2.gz YIUKHNQUNMFIGR-PBHICJAKSA-N 1 2 394.497 -0.407 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)cc1 ZINC001655425248 1071594444 /nfs/dbraw/zinc/59/44/44/1071594444.db2.gz YIUKHNQUNMFIGR-PBHICJAKSA-N 1 2 394.497 -0.407 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)cc1 ZINC001655425249 1071594703 /nfs/dbraw/zinc/59/47/03/1071594703.db2.gz YIUKHNQUNMFIGR-RHSMWYFYSA-N 1 2 394.497 -0.407 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)cc1 ZINC001655425249 1071594697 /nfs/dbraw/zinc/59/46/97/1071594697.db2.gz YIUKHNQUNMFIGR-RHSMWYFYSA-N 1 2 394.497 -0.407 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cc1 ZINC001655425250 1071594667 /nfs/dbraw/zinc/59/46/67/1071594667.db2.gz YIUKHNQUNMFIGR-WMLDXEAASA-N 1 2 394.497 -0.407 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cc1 ZINC001655425250 1071594662 /nfs/dbraw/zinc/59/46/62/1071594662.db2.gz YIUKHNQUNMFIGR-WMLDXEAASA-N 1 2 394.497 -0.407 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H]3CCNC(=O)[C@H]32)cc1 ZINC001655425251 1071594754 /nfs/dbraw/zinc/59/47/54/1071594754.db2.gz YIUKHNQUNMFIGR-YOEHRIQHSA-N 1 2 394.497 -0.407 20 0 GBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)cc1 ZINC001655425251 1071594745 /nfs/dbraw/zinc/59/47/45/1071594745.db2.gz YIUKHNQUNMFIGR-YOEHRIQHSA-N 1 2 394.497 -0.407 20 0 GBADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)Cc1nnc2n1CCNC2=O ZINC001655565712 1071596208 /nfs/dbraw/zinc/59/62/08/1071596208.db2.gz XSZQQXNMMUWTJG-AWEZNQCLSA-N 1 2 398.471 -0.414 20 0 GBADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)Cc1nnc2n1CCNC2=O ZINC001655565713 1071596525 /nfs/dbraw/zinc/59/65/25/1071596525.db2.gz XSZQQXNMMUWTJG-CQSZACIVSA-N 1 2 398.471 -0.414 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC001655642456 1071598226 /nfs/dbraw/zinc/59/82/26/1071598226.db2.gz KDMJQZFZXSOLNW-UHFFFAOYSA-N 1 2 397.501 -0.665 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC001655642456 1071598217 /nfs/dbraw/zinc/59/82/17/1071598217.db2.gz KDMJQZFZXSOLNW-UHFFFAOYSA-N 1 2 397.501 -0.665 20 0 GBADLO O=C(C[N@@H+]1CCN2CCOC[C@@]2(CO)C1)NCCc1cnn(-c2ccccc2)c1 ZINC001655716231 1071598818 /nfs/dbraw/zinc/59/88/18/1071598818.db2.gz BWMTUPACVPBQSI-NRFANRHFSA-N 1 2 399.495 -0.090 20 0 GBADLO O=C(C[N@H+]1CCN2CCOC[C@@]2(CO)C1)NCCc1cnn(-c2ccccc2)c1 ZINC001655716231 1071598814 /nfs/dbraw/zinc/59/88/14/1071598814.db2.gz BWMTUPACVPBQSI-NRFANRHFSA-N 1 2 399.495 -0.090 20 0 GBADLO O=C(C[N@@H+]1CCN2CCOC[C@]2(CO)C1)NCCc1cnn(-c2ccccc2)c1 ZINC001655716232 1071598877 /nfs/dbraw/zinc/59/88/77/1071598877.db2.gz BWMTUPACVPBQSI-OAQYLSRUSA-N 1 2 399.495 -0.090 20 0 GBADLO O=C(C[N@H+]1CCN2CCOC[C@]2(CO)C1)NCCc1cnn(-c2ccccc2)c1 ZINC001655716232 1071598873 /nfs/dbraw/zinc/59/88/73/1071598873.db2.gz BWMTUPACVPBQSI-OAQYLSRUSA-N 1 2 399.495 -0.090 20 0 GBADLO COC(=O)c1ccnc(S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC001655808359 1071601057 /nfs/dbraw/zinc/60/10/57/1071601057.db2.gz LDWYLUUSDBLZNL-AWEZNQCLSA-N 1 2 396.469 -0.158 20 0 GBADLO COC(=O)c1ccnc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC001655808369 1071600923 /nfs/dbraw/zinc/60/09/23/1071600923.db2.gz LDWYLUUSDBLZNL-CQSZACIVSA-N 1 2 396.469 -0.158 20 0 GBADLO COC(=O)[C@H]1C[NH+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1C(=O)OC ZINC001655866789 1071601690 /nfs/dbraw/zinc/60/16/90/1071601690.db2.gz NXDVPWNJSWWUQN-RYUDHWBXSA-N 1 2 375.381 -0.134 20 0 GBADLO COC(=O)[C@H]1C[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1C(=O)OC ZINC001655866790 1071601967 /nfs/dbraw/zinc/60/19/67/1071601967.db2.gz NXDVPWNJSWWUQN-TXEJJXNPSA-N 1 2 375.381 -0.134 20 0 GBADLO COC(=O)[C@H]1C[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1C(=O)OC ZINC001655866790 1071601965 /nfs/dbraw/zinc/60/19/65/1071601965.db2.gz NXDVPWNJSWWUQN-TXEJJXNPSA-N 1 2 375.381 -0.134 20 0 GBADLO COC(=O)[C@@H]1C[NH+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1C(=O)OC ZINC001655866791 1071601843 /nfs/dbraw/zinc/60/18/43/1071601843.db2.gz NXDVPWNJSWWUQN-VXGBXAGGSA-N 1 2 375.381 -0.134 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[NH+]1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1)c1ccccc1 ZINC001655866842 1071601478 /nfs/dbraw/zinc/60/14/78/1071601478.db2.gz PZFCZECQUKOSLY-IIAWOOMASA-N 1 2 391.424 -0.516 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1)c1ccccc1 ZINC001655866843 1071601528 /nfs/dbraw/zinc/60/15/28/1071601528.db2.gz PZFCZECQUKOSLY-IJEWVQPXSA-N 1 2 391.424 -0.516 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1)c1ccccc1 ZINC001655866843 1071601523 /nfs/dbraw/zinc/60/15/23/1071601523.db2.gz PZFCZECQUKOSLY-IJEWVQPXSA-N 1 2 391.424 -0.516 20 0 GBADLO CNC(=O)[C@@H](NC(=O)C[N@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1)c1ccccc1 ZINC001655866844 1071601498 /nfs/dbraw/zinc/60/14/98/1071601498.db2.gz PZFCZECQUKOSLY-LZWOXQAQSA-N 1 2 391.424 -0.516 20 0 GBADLO CNC(=O)[C@@H](NC(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1)c1ccccc1 ZINC001655866844 1071601492 /nfs/dbraw/zinc/60/14/92/1071601492.db2.gz PZFCZECQUKOSLY-LZWOXQAQSA-N 1 2 391.424 -0.516 20 0 GBADLO CNC(=O)[C@H](NC(=O)C[NH+]1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1)c1ccccc1 ZINC001655866845 1071601758 /nfs/dbraw/zinc/60/17/58/1071601758.db2.gz PZFCZECQUKOSLY-OFQRWUPVSA-N 1 2 391.424 -0.516 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C[C@H]21 ZINC001655965736 1071602438 /nfs/dbraw/zinc/60/24/38/1071602438.db2.gz APUZTHDBTAEYKL-REBRKWNGSA-N 1 2 391.472 -0.591 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NC3CCCC3)C[C@H]21 ZINC001655965736 1071602433 /nfs/dbraw/zinc/60/24/33/1071602433.db2.gz APUZTHDBTAEYKL-REBRKWNGSA-N 1 2 391.472 -0.591 20 0 GBADLO NC(=O)Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC001656136563 1071604569 /nfs/dbraw/zinc/60/45/69/1071604569.db2.gz ZWTXUPRULLFPSN-UHFFFAOYSA-N 1 2 390.828 -0.376 20 0 GBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC(O)(C3CCC3)CC2)c(=O)[nH]c1=O ZINC001656351198 1071606668 /nfs/dbraw/zinc/60/66/68/1071606668.db2.gz KRZGWGXFLXOICK-UHFFFAOYSA-N 1 2 380.445 -0.013 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001656351545 1071606688 /nfs/dbraw/zinc/60/66/88/1071606688.db2.gz QORSITPVOQWBBE-GFCCVEGCSA-N 1 2 393.444 -0.502 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC001656351548 1071606598 /nfs/dbraw/zinc/60/65/98/1071606598.db2.gz QORSITPVOQWBBE-LBPRGKRZSA-N 1 2 393.444 -0.502 20 0 GBADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC001656456266 1071608714 /nfs/dbraw/zinc/60/87/14/1071608714.db2.gz IEPCLBXQIUOBKQ-AWEZNQCLSA-N 1 2 392.382 -0.804 20 0 GBADLO CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC001656456267 1071608889 /nfs/dbraw/zinc/60/88/89/1071608889.db2.gz IEPCLBXQIUOBKQ-CQSZACIVSA-N 1 2 392.382 -0.804 20 0 GBADLO NS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC001656486223 1071608841 /nfs/dbraw/zinc/60/88/41/1071608841.db2.gz AHAVVYXJVZWBMU-UHFFFAOYSA-N 1 2 399.498 -0.318 20 0 GBADLO Cn1ccn2c(CNS(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)nnc2c1=O ZINC001656712352 1071612370 /nfs/dbraw/zinc/61/23/70/1071612370.db2.gz IFNLVYDGIPNRHJ-UHFFFAOYSA-N 1 2 388.453 -0.106 20 0 GBADLO Cn1ccn2c(CNS(=O)(=O)c3cccc4c3CC[N@H+](C)C4)nnc2c1=O ZINC001656712352 1071612367 /nfs/dbraw/zinc/61/23/67/1071612367.db2.gz IFNLVYDGIPNRHJ-UHFFFAOYSA-N 1 2 388.453 -0.106 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC001656953476 1071615954 /nfs/dbraw/zinc/61/59/54/1071615954.db2.gz LWOHVWXYNOIGQJ-AWEZNQCLSA-N 1 2 382.446 -0.407 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC001656953476 1071615951 /nfs/dbraw/zinc/61/59/51/1071615951.db2.gz LWOHVWXYNOIGQJ-AWEZNQCLSA-N 1 2 382.446 -0.407 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(OCC(=O)OC)cc1 ZINC001656953512 1071616352 /nfs/dbraw/zinc/61/63/52/1071616352.db2.gz MMYMOFZBSOLZBY-AWEZNQCLSA-N 1 2 396.425 -0.403 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(OCC(=O)OC)cc1 ZINC001656953512 1071616349 /nfs/dbraw/zinc/61/63/49/1071616349.db2.gz MMYMOFZBSOLZBY-AWEZNQCLSA-N 1 2 396.425 -0.403 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(C(=O)OC)c(OC)c1 ZINC001656953614 1071616319 /nfs/dbraw/zinc/61/63/19/1071616319.db2.gz OHMFFGQMVVASJR-ZDUSSCGKSA-N 1 2 396.425 -0.160 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(C(=O)OC)c(OC)c1 ZINC001656953614 1071616316 /nfs/dbraw/zinc/61/63/16/1071616316.db2.gz OHMFFGQMVVASJR-ZDUSSCGKSA-N 1 2 396.425 -0.160 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)[C@H]1C ZINC001656953957 1071616176 /nfs/dbraw/zinc/61/61/76/1071616176.db2.gz RHSWOBRNURFLSW-QZNHQWIBSA-N 1 2 380.489 -0.414 20 0 GBADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)[C@H]1C ZINC001656953957 1071616169 /nfs/dbraw/zinc/61/61/69/1071616169.db2.gz RHSWOBRNURFLSW-QZNHQWIBSA-N 1 2 380.489 -0.414 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccccc1Cn1cncn1 ZINC001656954044 1071616036 /nfs/dbraw/zinc/61/60/36/1071616036.db2.gz WDDIXHNCMOHPJS-AWEZNQCLSA-N 1 2 389.441 -0.315 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccccc1Cn1cncn1 ZINC001656954044 1071616032 /nfs/dbraw/zinc/61/60/32/1071616032.db2.gz WDDIXHNCMOHPJS-AWEZNQCLSA-N 1 2 389.441 -0.315 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CC[N@H+]1CC(=O)NC(N)=O ZINC001656964086 1071615977 /nfs/dbraw/zinc/61/59/77/1071615977.db2.gz MFTKFHYJUIFCHC-JWZBEHFJSA-N 1 2 390.440 -0.083 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001656964086 1071615973 /nfs/dbraw/zinc/61/59/73/1071615973.db2.gz MFTKFHYJUIFCHC-JWZBEHFJSA-N 1 2 390.440 -0.083 20 0 GBADLO CCOCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H]1C ZINC001656979169 1071617499 /nfs/dbraw/zinc/61/74/99/1071617499.db2.gz BUKIHWHNTCVGAB-AAEZLKGMSA-N 1 2 383.489 -0.230 20 0 GBADLO CCOCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H]1C ZINC001656979169 1071617495 /nfs/dbraw/zinc/61/74/95/1071617495.db2.gz BUKIHWHNTCVGAB-AAEZLKGMSA-N 1 2 383.489 -0.230 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC001657002210 1071618261 /nfs/dbraw/zinc/61/82/61/1071618261.db2.gz ZDQYLRSSDUIPFD-MTSZKFMLSA-N 1 2 392.500 -0.129 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC001657002210 1071618256 /nfs/dbraw/zinc/61/82/56/1071618256.db2.gz ZDQYLRSSDUIPFD-MTSZKFMLSA-N 1 2 392.500 -0.129 20 0 GBADLO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001657147283 1071619757 /nfs/dbraw/zinc/61/97/57/1071619757.db2.gz UOMYZVUMBCGVQW-UHFFFAOYSA-N 1 2 380.474 -0.119 20 0 GBADLO COc1ccc(CN2CC[C@H]([NH2+]Cc3cn(CC(N)=O)nn3)C2=O)c(OC)c1 ZINC001657334148 1071623201 /nfs/dbraw/zinc/62/32/01/1071623201.db2.gz OAHSOUJJAFKYLA-HNNXBMFYSA-N 1 2 388.428 -0.329 20 0 GBADLO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cn(CC(N)=O)nn3)C2=O)c(OC)c1 ZINC001657334149 1071623074 /nfs/dbraw/zinc/62/30/74/1071623074.db2.gz OAHSOUJJAFKYLA-OAHLLOKOSA-N 1 2 388.428 -0.329 20 0 GBADLO COC(=O)CN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC[NH+]1CCOCC1 ZINC001657365471 1071622944 /nfs/dbraw/zinc/62/29/44/1071622944.db2.gz PELGFWVEEHDHQA-UHFFFAOYSA-N 1 2 392.456 -0.079 20 0 GBADLO COC(=O)CN(CCC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1CCOCC1 ZINC001657365816 1071623230 /nfs/dbraw/zinc/62/32/30/1071623230.db2.gz VVHXZMPPHXMQOG-UHFFFAOYSA-N 1 2 398.382 -0.428 20 0 GBADLO Cn1c[nH+]cc1C1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001657439850 1071624607 /nfs/dbraw/zinc/62/46/07/1071624607.db2.gz WCSBMXGCIBWVJA-UHFFFAOYSA-N 1 2 376.504 -0.179 20 0 GBADLO NC(=O)Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)nn1 ZINC001657618240 1071625208 /nfs/dbraw/zinc/62/52/08/1071625208.db2.gz LSCKALYXAHRVLT-UHFFFAOYSA-N 1 2 378.867 -0.454 20 0 GBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001657701703 1071625071 /nfs/dbraw/zinc/62/50/71/1071625071.db2.gz ONCJNBHDQFIYAI-HUUCEWRRSA-N 1 2 396.469 -0.646 20 0 GBADLO NC(=O)Cn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)nn1 ZINC001657845413 1071625879 /nfs/dbraw/zinc/62/58/79/1071625879.db2.gz FTVOPTQHXHBIBF-UHFFFAOYSA-N 1 2 390.828 -0.376 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CCC1 ZINC001658082063 1071626612 /nfs/dbraw/zinc/62/66/12/1071626612.db2.gz JBEWAGFRTSJEDE-NEPJUHHUSA-N 1 2 388.490 -0.776 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CCC1 ZINC001658082063 1071626609 /nfs/dbraw/zinc/62/66/09/1071626609.db2.gz JBEWAGFRTSJEDE-NEPJUHHUSA-N 1 2 388.490 -0.776 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CCC1 ZINC001658082064 1071626650 /nfs/dbraw/zinc/62/66/50/1071626650.db2.gz JBEWAGFRTSJEDE-NWDGAFQWSA-N 1 2 388.490 -0.776 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CCC1 ZINC001658082064 1071626648 /nfs/dbraw/zinc/62/66/48/1071626648.db2.gz JBEWAGFRTSJEDE-NWDGAFQWSA-N 1 2 388.490 -0.776 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CCC1 ZINC001658082065 1071626541 /nfs/dbraw/zinc/62/65/41/1071626541.db2.gz JBEWAGFRTSJEDE-RYUDHWBXSA-N 1 2 388.490 -0.776 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CCC1 ZINC001658082065 1071626538 /nfs/dbraw/zinc/62/65/38/1071626538.db2.gz JBEWAGFRTSJEDE-RYUDHWBXSA-N 1 2 388.490 -0.776 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CCC1 ZINC001658082066 1071626641 /nfs/dbraw/zinc/62/66/41/1071626641.db2.gz JBEWAGFRTSJEDE-VXGBXAGGSA-N 1 2 388.490 -0.776 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CCC1 ZINC001658082066 1071626639 /nfs/dbraw/zinc/62/66/39/1071626639.db2.gz JBEWAGFRTSJEDE-VXGBXAGGSA-N 1 2 388.490 -0.776 20 0 GBADLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001658114347 1071626379 /nfs/dbraw/zinc/62/63/79/1071626379.db2.gz PGSHTHCDIBLOFU-UHFFFAOYSA-N 1 2 383.474 -0.281 20 0 GBADLO C[C@@H]([NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ncn(C)n1 ZINC001658268112 1071626591 /nfs/dbraw/zinc/62/65/91/1071626591.db2.gz NQUCOGASDLFIQQ-GFCCVEGCSA-N 1 2 380.474 -0.138 20 0 GBADLO C[C@H]([NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ncn(C)n1 ZINC001658268113 1071626596 /nfs/dbraw/zinc/62/65/96/1071626596.db2.gz NQUCOGASDLFIQQ-LBPRGKRZSA-N 1 2 380.474 -0.138 20 0 GBADLO COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2CCC(O)(C(N)=O)CC2)c1 ZINC001658626316 1071627285 /nfs/dbraw/zinc/62/72/85/1071627285.db2.gz FQUJLOJJEOWKSR-UHFFFAOYSA-N 1 2 378.429 -0.596 20 0 GBADLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001658731922 1071627304 /nfs/dbraw/zinc/62/73/04/1071627304.db2.gz ZIOHAKZCNRBUGJ-AWEZNQCLSA-N 1 2 398.485 -0.235 20 0 GBADLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001658731922 1071627297 /nfs/dbraw/zinc/62/72/97/1071627297.db2.gz ZIOHAKZCNRBUGJ-AWEZNQCLSA-N 1 2 398.485 -0.235 20 0 GBADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001658731923 1071627183 /nfs/dbraw/zinc/62/71/83/1071627183.db2.gz ZIOHAKZCNRBUGJ-CQSZACIVSA-N 1 2 398.485 -0.235 20 0 GBADLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001658731923 1071627180 /nfs/dbraw/zinc/62/71/80/1071627180.db2.gz ZIOHAKZCNRBUGJ-CQSZACIVSA-N 1 2 398.485 -0.235 20 0 GBADLO CNS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC001658836666 1071628106 /nfs/dbraw/zinc/62/81/06/1071628106.db2.gz DDUFBXANGRNMKZ-AWEZNQCLSA-N 1 2 398.485 -0.607 20 0 GBADLO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC001658836667 1071628152 /nfs/dbraw/zinc/62/81/52/1071628152.db2.gz DDUFBXANGRNMKZ-CQSZACIVSA-N 1 2 398.485 -0.607 20 0 GBADLO CNS(=O)(=O)N1CC[NH+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC001658837147 1071627904 /nfs/dbraw/zinc/62/79/04/1071627904.db2.gz OIJWSIXVPIIBOL-UHFFFAOYSA-N 1 2 375.476 -0.743 20 0 GBADLO O=C(C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)N1CCN(Cc2ccsc2)CC1 ZINC001658893782 1071627783 /nfs/dbraw/zinc/62/77/83/1071627783.db2.gz LXSPJMKSNCTOEV-HZPDHXFCSA-N 1 2 378.498 -0.018 20 0 GBADLO O=C(C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)N1CCN(Cc2ccsc2)CC1 ZINC001658893782 1071627778 /nfs/dbraw/zinc/62/77/78/1071627778.db2.gz LXSPJMKSNCTOEV-HZPDHXFCSA-N 1 2 378.498 -0.018 20 0 GBADLO O=C(CNC(=O)C[N@H+]1C[C@H](O)[C@H](CO)C1)Nc1ccccc1Br ZINC001658942917 1071628033 /nfs/dbraw/zinc/62/80/33/1071628033.db2.gz KQIRWEYWFTXGDW-GWCFXTLKSA-N 1 2 386.246 -0.211 20 0 GBADLO O=C(CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CO)C1)Nc1ccccc1Br ZINC001658942917 1071628027 /nfs/dbraw/zinc/62/80/27/1071628027.db2.gz KQIRWEYWFTXGDW-GWCFXTLKSA-N 1 2 386.246 -0.211 20 0 GBADLO O=C(CNC(=O)C[N@H+]1C[C@@H](O)[C@H](CO)C1)Nc1ccccc1Br ZINC001658942918 1071628002 /nfs/dbraw/zinc/62/80/02/1071628002.db2.gz KQIRWEYWFTXGDW-GXFFZTMASA-N 1 2 386.246 -0.211 20 0 GBADLO O=C(CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](CO)C1)Nc1ccccc1Br ZINC001658942918 1071627999 /nfs/dbraw/zinc/62/79/99/1071627999.db2.gz KQIRWEYWFTXGDW-GXFFZTMASA-N 1 2 386.246 -0.211 20 0 GBADLO O=C(CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CO)C1)Nc1ccccc1Br ZINC001658942919 1071627830 /nfs/dbraw/zinc/62/78/30/1071627830.db2.gz KQIRWEYWFTXGDW-MFKMUULPSA-N 1 2 386.246 -0.211 20 0 GBADLO O=C(CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CO)C1)Nc1ccccc1Br ZINC001658942919 1071627824 /nfs/dbraw/zinc/62/78/24/1071627824.db2.gz KQIRWEYWFTXGDW-MFKMUULPSA-N 1 2 386.246 -0.211 20 0 GBADLO O=C(CNC(=O)C[N@@H+]1C[C@H](CO)[C@H](O)C1)Nc1ccccc1Br ZINC001658942920 1071627925 /nfs/dbraw/zinc/62/79/25/1071627925.db2.gz KQIRWEYWFTXGDW-ZWNOBZJWSA-N 1 2 386.246 -0.211 20 0 GBADLO O=C(CNC(=O)C[N@H+]1C[C@H](CO)[C@H](O)C1)Nc1ccccc1Br ZINC001658942920 1071627919 /nfs/dbraw/zinc/62/79/19/1071627919.db2.gz KQIRWEYWFTXGDW-ZWNOBZJWSA-N 1 2 386.246 -0.211 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001659029734 1071628757 /nfs/dbraw/zinc/62/87/57/1071628757.db2.gz JRBRNFRXZCYTOK-AXAPSJFSSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001659029734 1071628753 /nfs/dbraw/zinc/62/87/53/1071628753.db2.gz JRBRNFRXZCYTOK-AXAPSJFSSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001659029739 1071628790 /nfs/dbraw/zinc/62/87/90/1071628790.db2.gz JRBRNFRXZCYTOK-FFSVYQOJSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001659029739 1071628787 /nfs/dbraw/zinc/62/87/87/1071628787.db2.gz JRBRNFRXZCYTOK-FFSVYQOJSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001659029741 1071628660 /nfs/dbraw/zinc/62/86/60/1071628660.db2.gz JRBRNFRXZCYTOK-KFNAQCHYSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001659029741 1071628657 /nfs/dbraw/zinc/62/86/57/1071628657.db2.gz JRBRNFRXZCYTOK-KFNAQCHYSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001659029743 1071628836 /nfs/dbraw/zinc/62/88/36/1071628836.db2.gz JRBRNFRXZCYTOK-PVXIVEMSSA-N 1 2 383.470 -0.713 20 0 GBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001659029743 1071628834 /nfs/dbraw/zinc/62/88/34/1071628834.db2.gz JRBRNFRXZCYTOK-PVXIVEMSSA-N 1 2 383.470 -0.713 20 0 GBADLO Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC001659030052 1071628852 /nfs/dbraw/zinc/62/88/52/1071628852.db2.gz QXUCZMGPJIVJGA-AWEZNQCLSA-N 1 2 392.485 -0.091 20 0 GBADLO Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC001659030052 1071628850 /nfs/dbraw/zinc/62/88/50/1071628850.db2.gz QXUCZMGPJIVJGA-AWEZNQCLSA-N 1 2 392.485 -0.091 20 0 GBADLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)[nH]1 ZINC001659030052 1071628848 /nfs/dbraw/zinc/62/88/48/1071628848.db2.gz QXUCZMGPJIVJGA-AWEZNQCLSA-N 1 2 392.485 -0.091 20 0 GBADLO Cc1nnc([C@H]2CC[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)[nH]1 ZINC001659030052 1071628847 /nfs/dbraw/zinc/62/88/47/1071628847.db2.gz QXUCZMGPJIVJGA-AWEZNQCLSA-N 1 2 392.485 -0.091 20 0 GBADLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC001659030053 1071628904 /nfs/dbraw/zinc/62/89/04/1071628904.db2.gz QXUCZMGPJIVJGA-CQSZACIVSA-N 1 2 392.485 -0.091 20 0 GBADLO Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC001659030053 1071628902 /nfs/dbraw/zinc/62/89/02/1071628902.db2.gz QXUCZMGPJIVJGA-CQSZACIVSA-N 1 2 392.485 -0.091 20 0 GBADLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)[nH]1 ZINC001659030053 1071628901 /nfs/dbraw/zinc/62/89/01/1071628901.db2.gz QXUCZMGPJIVJGA-CQSZACIVSA-N 1 2 392.485 -0.091 20 0 GBADLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)[nH]1 ZINC001659030053 1071628898 /nfs/dbraw/zinc/62/88/98/1071628898.db2.gz QXUCZMGPJIVJGA-CQSZACIVSA-N 1 2 392.485 -0.091 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001659030305 1071628745 /nfs/dbraw/zinc/62/87/45/1071628745.db2.gz WPIDSDSPRDZESV-DVOMOZLQSA-N 1 2 385.486 -0.061 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001659030305 1071628741 /nfs/dbraw/zinc/62/87/41/1071628741.db2.gz WPIDSDSPRDZESV-DVOMOZLQSA-N 1 2 385.486 -0.061 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001659030306 1071628810 /nfs/dbraw/zinc/62/88/10/1071628810.db2.gz WPIDSDSPRDZESV-IOASZLSFSA-N 1 2 385.486 -0.061 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001659030306 1071628807 /nfs/dbraw/zinc/62/88/07/1071628807.db2.gz WPIDSDSPRDZESV-IOASZLSFSA-N 1 2 385.486 -0.061 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001659030307 1071628869 /nfs/dbraw/zinc/62/88/69/1071628869.db2.gz WPIDSDSPRDZESV-WWGRRREGSA-N 1 2 385.486 -0.061 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001659030307 1071628866 /nfs/dbraw/zinc/62/88/66/1071628866.db2.gz WPIDSDSPRDZESV-WWGRRREGSA-N 1 2 385.486 -0.061 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001659030308 1071628863 /nfs/dbraw/zinc/62/88/63/1071628863.db2.gz WPIDSDSPRDZESV-XJKCOSOUSA-N 1 2 385.486 -0.061 20 0 GBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001659030308 1071628861 /nfs/dbraw/zinc/62/88/61/1071628861.db2.gz WPIDSDSPRDZESV-XJKCOSOUSA-N 1 2 385.486 -0.061 20 0 GBADLO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(Cc3nnc[nH]3)CC2)c1 ZINC001659251228 1071629601 /nfs/dbraw/zinc/62/96/01/1071629601.db2.gz MVTJZDTVYLIFDS-UHFFFAOYSA-N 1 2 393.473 -0.402 20 0 GBADLO COCCOC1(C[NH2+]Cc2nccn2S(=O)(=O)N(C)C)CCOCC1 ZINC001659253701 1071629503 /nfs/dbraw/zinc/62/95/03/1071629503.db2.gz HQILIEMPSCBBBO-UHFFFAOYSA-N 1 2 376.479 -0.161 20 0 GBADLO O=C1OCCN1CCS(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001659311653 1071630312 /nfs/dbraw/zinc/63/03/12/1071630312.db2.gz NTMKBSCZEYUFLE-UHFFFAOYSA-N 1 2 398.489 -0.640 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001659366430 1071631304 /nfs/dbraw/zinc/63/13/04/1071631304.db2.gz RCBOLNGFUOAHHE-UHFFFAOYSA-N 1 2 394.476 -0.026 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC2(CC1)NC(=O)NC2=O ZINC001659496584 1071632826 /nfs/dbraw/zinc/63/28/26/1071632826.db2.gz LABOWNGVKOBNEM-UHFFFAOYSA-N 1 2 391.432 -0.579 20 0 GBADLO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001659500835 1071632407 /nfs/dbraw/zinc/63/24/07/1071632407.db2.gz HLRZFSVZUNLPQK-STQMWFEESA-N 1 2 396.448 -0.597 20 0 GBADLO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001659501177 1071632838 /nfs/dbraw/zinc/63/28/38/1071632838.db2.gz NKWKWRAIKNSKAM-UKRRQHHQSA-N 1 2 381.433 -0.085 20 0 GBADLO O=C(NC[C@]12COC(=O)N1CCOC2)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001659501185 1071632638 /nfs/dbraw/zinc/63/26/38/1071632638.db2.gz NRZGOWLKNKDYNW-KRWDZBQOSA-N 1 2 394.432 -0.442 20 0 GBADLO O=C(NC[C@@]12COC(=O)N1CCOC2)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001659501186 1071632416 /nfs/dbraw/zinc/63/24/16/1071632416.db2.gz NRZGOWLKNKDYNW-QGZVFWFLSA-N 1 2 394.432 -0.442 20 0 GBADLO CCOCCCNC(=O)C1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001659508558 1071632434 /nfs/dbraw/zinc/63/24/34/1071632434.db2.gz YACDUHMTTNJNOP-UHFFFAOYSA-N 1 2 376.523 -0.267 20 0 GBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC001659678400 1071634645 /nfs/dbraw/zinc/63/46/45/1071634645.db2.gz YSJHGZZIFBUROH-HNNXBMFYSA-N 1 2 382.465 -0.122 20 0 GBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC001659678400 1071634641 /nfs/dbraw/zinc/63/46/41/1071634641.db2.gz YSJHGZZIFBUROH-HNNXBMFYSA-N 1 2 382.465 -0.122 20 0 GBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC001659678401 1071634923 /nfs/dbraw/zinc/63/49/23/1071634923.db2.gz YSJHGZZIFBUROH-OAHLLOKOSA-N 1 2 382.465 -0.122 20 0 GBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC001659678401 1071634919 /nfs/dbraw/zinc/63/49/19/1071634919.db2.gz YSJHGZZIFBUROH-OAHLLOKOSA-N 1 2 382.465 -0.122 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(Cc3cn(CC(N)=O)nn3)C2)CC1 ZINC001659732253 1071634685 /nfs/dbraw/zinc/63/46/85/1071634685.db2.gz OSAHSDLZCUKQHD-HNNXBMFYSA-N 1 2 393.492 -0.110 20 0 GBADLO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](Cc3cn(CC(N)=O)nn3)C2)CC1 ZINC001659732253 1071634681 /nfs/dbraw/zinc/63/46/81/1071634681.db2.gz OSAHSDLZCUKQHD-HNNXBMFYSA-N 1 2 393.492 -0.110 20 0 GBADLO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](Cc3cn(CC(N)=O)nn3)C2)CC1 ZINC001659732253 1071634677 /nfs/dbraw/zinc/63/46/77/1071634677.db2.gz OSAHSDLZCUKQHD-HNNXBMFYSA-N 1 2 393.492 -0.110 20 0 GBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(Cc3cn(CC(N)=O)nn3)C2)CC1 ZINC001659732254 1071634805 /nfs/dbraw/zinc/63/48/05/1071634805.db2.gz OSAHSDLZCUKQHD-OAHLLOKOSA-N 1 2 393.492 -0.110 20 0 GBADLO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cn(CC(N)=O)nn3)C2)CC1 ZINC001659732254 1071634800 /nfs/dbraw/zinc/63/48/00/1071634800.db2.gz OSAHSDLZCUKQHD-OAHLLOKOSA-N 1 2 393.492 -0.110 20 0 GBADLO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](Cc3cn(CC(N)=O)nn3)C2)CC1 ZINC001659732254 1071634798 /nfs/dbraw/zinc/63/47/98/1071634798.db2.gz OSAHSDLZCUKQHD-OAHLLOKOSA-N 1 2 393.492 -0.110 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001659736171 1071634961 /nfs/dbraw/zinc/63/49/61/1071634961.db2.gz DZGIWWJNNXCQLR-DSIZOQBWSA-N 1 2 399.513 -0.215 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001659736171 1071634955 /nfs/dbraw/zinc/63/49/55/1071634955.db2.gz DZGIWWJNNXCQLR-DSIZOQBWSA-N 1 2 399.513 -0.215 20 0 GBADLO CCCN(C(=O)[C@H](C)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001659736172 1071634838 /nfs/dbraw/zinc/63/48/38/1071634838.db2.gz DZGIWWJNNXCQLR-QIZIZJAASA-N 1 2 399.513 -0.215 20 0 GBADLO CCCN(C(=O)[C@H](C)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001659736173 1071634626 /nfs/dbraw/zinc/63/46/26/1071634626.db2.gz DZGIWWJNNXCQLR-RPLLJCPNSA-N 1 2 399.513 -0.215 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001659736174 1071634666 /nfs/dbraw/zinc/63/46/66/1071634666.db2.gz DZGIWWJNNXCQLR-RUZGCFLTSA-N 1 2 399.513 -0.215 20 0 GBADLO CCCN(C(=O)[C@H](C)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001659736174 1071634662 /nfs/dbraw/zinc/63/46/62/1071634662.db2.gz DZGIWWJNNXCQLR-RUZGCFLTSA-N 1 2 399.513 -0.215 20 0 GBADLO CO[C@H]1C[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@](C)(CO)C1 ZINC001659751105 1071635636 /nfs/dbraw/zinc/63/56/36/1071635636.db2.gz USIAYEHRBLMAJR-BJAXYTJBSA-N 1 2 382.461 -0.010 20 0 GBADLO CO[C@H]1C[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@](C)(CO)C1 ZINC001659751105 1071635633 /nfs/dbraw/zinc/63/56/33/1071635633.db2.gz USIAYEHRBLMAJR-BJAXYTJBSA-N 1 2 382.461 -0.010 20 0 GBADLO CO[C@@H]1C[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@@](C)(CO)C1 ZINC001659751106 1071635400 /nfs/dbraw/zinc/63/54/00/1071635400.db2.gz USIAYEHRBLMAJR-DNGFJYGXSA-N 1 2 382.461 -0.010 20 0 GBADLO CO[C@@H]1C[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@@](C)(CO)C1 ZINC001659751106 1071635395 /nfs/dbraw/zinc/63/53/95/1071635395.db2.gz USIAYEHRBLMAJR-DNGFJYGXSA-N 1 2 382.461 -0.010 20 0 GBADLO CO[C@H]1C[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@@](C)(CO)C1 ZINC001659751107 1071635574 /nfs/dbraw/zinc/63/55/74/1071635574.db2.gz USIAYEHRBLMAJR-JJZFQXHVSA-N 1 2 382.461 -0.010 20 0 GBADLO CO[C@H]1C[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@@](C)(CO)C1 ZINC001659751107 1071635568 /nfs/dbraw/zinc/63/55/68/1071635568.db2.gz USIAYEHRBLMAJR-JJZFQXHVSA-N 1 2 382.461 -0.010 20 0 GBADLO CO[C@@H]1C[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@](C)(CO)C1 ZINC001659751108 1071635329 /nfs/dbraw/zinc/63/53/29/1071635329.db2.gz USIAYEHRBLMAJR-ZVRZEWSUSA-N 1 2 382.461 -0.010 20 0 GBADLO CO[C@@H]1C[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@](C)(CO)C1 ZINC001659751108 1071635327 /nfs/dbraw/zinc/63/53/27/1071635327.db2.gz USIAYEHRBLMAJR-ZVRZEWSUSA-N 1 2 382.461 -0.010 20 0 GBADLO CCOC(=O)c1cnn2cc(C[NH2+]C3CN(S(=O)(=O)N(C)C)C3)cnc12 ZINC001659775254 1071635432 /nfs/dbraw/zinc/63/54/32/1071635432.db2.gz OYFBADTXCGXOGW-UHFFFAOYSA-N 1 2 382.446 -0.514 20 0 GBADLO NC(=O)[C@@H](F)C1CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC001659797116 1071635492 /nfs/dbraw/zinc/63/54/92/1071635492.db2.gz LPLZQDFTJCNWJI-INIZCTEOSA-N 1 2 398.460 -0.242 20 0 GBADLO NC(=O)[C@H](F)C1CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC001659797117 1071635699 /nfs/dbraw/zinc/63/56/99/1071635699.db2.gz LPLZQDFTJCNWJI-MRXNPFEDSA-N 1 2 398.460 -0.242 20 0 GBADLO CN1C(=O)[C@H]2C[N@@H+](CC(=O)Nc3sc4c(c3C(N)=O)CCC4)C[C@H]2C1=O ZINC001659824587 1071636167 /nfs/dbraw/zinc/63/61/67/1071636167.db2.gz INSJXLPOUNQCTF-AOOOYVTPSA-N 1 2 376.438 -0.179 20 0 GBADLO CN1C(=O)[C@H]2C[N@H+](CC(=O)Nc3sc4c(c3C(N)=O)CCC4)C[C@H]2C1=O ZINC001659824587 1071636158 /nfs/dbraw/zinc/63/61/58/1071636158.db2.gz INSJXLPOUNQCTF-AOOOYVTPSA-N 1 2 376.438 -0.179 20 0 GBADLO NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC001659833837 1071636327 /nfs/dbraw/zinc/63/63/27/1071636327.db2.gz PCYYTCWKKSNUEO-CYBMUJFWSA-N 1 2 378.520 -0.093 20 0 GBADLO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC001659833837 1071636323 /nfs/dbraw/zinc/63/63/23/1071636323.db2.gz PCYYTCWKKSNUEO-CYBMUJFWSA-N 1 2 378.520 -0.093 20 0 GBADLO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC001659833841 1071636271 /nfs/dbraw/zinc/63/62/71/1071636271.db2.gz PCYYTCWKKSNUEO-ZDUSSCGKSA-N 1 2 378.520 -0.093 20 0 GBADLO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC001659833841 1071636269 /nfs/dbraw/zinc/63/62/69/1071636269.db2.gz PCYYTCWKKSNUEO-ZDUSSCGKSA-N 1 2 378.520 -0.093 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001659834240 1071636458 /nfs/dbraw/zinc/63/64/58/1071636458.db2.gz RVOMVBHYNYWLOR-INIZCTEOSA-N 1 2 384.458 -0.102 20 0 GBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001659834243 1071636357 /nfs/dbraw/zinc/63/63/57/1071636357.db2.gz RVOMVBHYNYWLOR-MRXNPFEDSA-N 1 2 384.458 -0.102 20 0 GBADLO COCc1ccccc1CNC(=O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001659867715 1071636466 /nfs/dbraw/zinc/63/64/66/1071636466.db2.gz BCFJNYNYNLHRAE-UHFFFAOYSA-N 1 2 383.470 -0.529 20 0 GBADLO NC(=O)C1([NH2+]Cc2ccc(Br)nc2N)CCS(=O)(=O)CC1 ZINC001659868648 1071636486 /nfs/dbraw/zinc/63/64/86/1071636486.db2.gz NHQSEGKGIKNYJX-UHFFFAOYSA-N 1 2 377.264 -0.051 20 0 GBADLO CN(C)C(=O)c1cccc(NC(=O)C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)c1 ZINC001659868826 1071636343 /nfs/dbraw/zinc/63/63/43/1071636343.db2.gz QTPNGRXGJJLURY-UHFFFAOYSA-N 1 2 396.469 -0.651 20 0 GBADLO COc1ccc(NC(=O)C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)c(OC)c1 ZINC001659868857 1071636278 /nfs/dbraw/zinc/63/62/78/1071636278.db2.gz RLTUGPTVHCQFPG-UHFFFAOYSA-N 1 2 385.442 -0.335 20 0 GBADLO COc1ccc(OC)c(NC(=O)C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)c1 ZINC001659869185 1071636247 /nfs/dbraw/zinc/63/62/47/1071636247.db2.gz WSXWLQLEVXCKFC-UHFFFAOYSA-N 1 2 385.442 -0.335 20 0 GBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2CC=C[C@@H]2CO)c(=O)[nH]c1=O ZINC001659933495 1071637194 /nfs/dbraw/zinc/63/71/94/1071637194.db2.gz DTDDWSBVUBIRKI-CYBMUJFWSA-N 1 2 395.460 -0.457 20 0 GBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2CC=C[C@@H]2CO)c(=O)[nH]c1=O ZINC001659933495 1071637192 /nfs/dbraw/zinc/63/71/92/1071637192.db2.gz DTDDWSBVUBIRKI-CYBMUJFWSA-N 1 2 395.460 -0.457 20 0 GBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2CC=C[C@H]2CO)c(=O)[nH]c1=O ZINC001659933496 1071636857 /nfs/dbraw/zinc/63/68/57/1071636857.db2.gz DTDDWSBVUBIRKI-ZDUSSCGKSA-N 1 2 395.460 -0.457 20 0 GBADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2CC=C[C@H]2CO)c(=O)[nH]c1=O ZINC001659933496 1071636852 /nfs/dbraw/zinc/63/68/52/1071636852.db2.gz DTDDWSBVUBIRKI-ZDUSSCGKSA-N 1 2 395.460 -0.457 20 0 GBADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001659942712 1071636900 /nfs/dbraw/zinc/63/69/00/1071636900.db2.gz BERJBBBFWGNSAR-LLVKDONJSA-N 1 2 377.430 -0.774 20 0 GBADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001659942712 1071636896 /nfs/dbraw/zinc/63/68/96/1071636896.db2.gz BERJBBBFWGNSAR-LLVKDONJSA-N 1 2 377.430 -0.774 20 0 GBADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001659942713 1071637005 /nfs/dbraw/zinc/63/70/05/1071637005.db2.gz BERJBBBFWGNSAR-NSHDSACASA-N 1 2 377.430 -0.774 20 0 GBADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001659942713 1071636999 /nfs/dbraw/zinc/63/69/99/1071636999.db2.gz BERJBBBFWGNSAR-NSHDSACASA-N 1 2 377.430 -0.774 20 0 GBADLO NC(=O)C[N@@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C1CCOCC1 ZINC001659983024 1071637864 /nfs/dbraw/zinc/63/78/64/1071637864.db2.gz VVAHPNPKRHYFTK-UHFFFAOYSA-N 1 2 380.489 -0.186 20 0 GBADLO NC(=O)C[N@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C1CCOCC1 ZINC001659983024 1071637857 /nfs/dbraw/zinc/63/78/57/1071637857.db2.gz VVAHPNPKRHYFTK-UHFFFAOYSA-N 1 2 380.489 -0.186 20 0 GBADLO CN(CCCNC(=O)C[NH+]1CCC(O)(c2ccnn2C)CC1)S(C)(=O)=O ZINC001660009675 1071637892 /nfs/dbraw/zinc/63/78/92/1071637892.db2.gz ZZNMUUWSALXUAL-UHFFFAOYSA-N 1 2 387.506 -0.899 20 0 GBADLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001660012272 1071638142 /nfs/dbraw/zinc/63/81/42/1071638142.db2.gz MYBWQPZMTKTAKL-SECBINFHSA-N 1 2 378.355 -0.125 20 0 GBADLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001660012273 1071638128 /nfs/dbraw/zinc/63/81/28/1071638128.db2.gz MYBWQPZMTKTAKL-VIFPVBQESA-N 1 2 378.355 -0.125 20 0 GBADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(c2nnnn2C)CC1 ZINC001660034431 1071638826 /nfs/dbraw/zinc/63/88/26/1071638826.db2.gz SHSTYVDWAHVHCA-UHFFFAOYSA-N 1 2 393.473 -0.016 20 0 GBADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001660058528 1071638981 /nfs/dbraw/zinc/63/89/81/1071638981.db2.gz CWSHEQGOMCFZGS-GFCCVEGCSA-N 1 2 384.520 -0.386 20 0 GBADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001660058528 1071638979 /nfs/dbraw/zinc/63/89/79/1071638979.db2.gz CWSHEQGOMCFZGS-GFCCVEGCSA-N 1 2 384.520 -0.386 20 0 GBADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001660058529 1071638673 /nfs/dbraw/zinc/63/86/73/1071638673.db2.gz CWSHEQGOMCFZGS-LBPRGKRZSA-N 1 2 384.520 -0.386 20 0 GBADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001660058529 1071638669 /nfs/dbraw/zinc/63/86/69/1071638669.db2.gz CWSHEQGOMCFZGS-LBPRGKRZSA-N 1 2 384.520 -0.386 20 0 GBADLO CS(=O)(=O)NC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC001660058754 1071638864 /nfs/dbraw/zinc/63/88/64/1071638864.db2.gz GUUBPSIZHFCXMK-LLVKDONJSA-N 1 2 390.487 -0.856 20 0 GBADLO CS(=O)(=O)NC[C@H]1CC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC001660058754 1071638858 /nfs/dbraw/zinc/63/88/58/1071638858.db2.gz GUUBPSIZHFCXMK-LLVKDONJSA-N 1 2 390.487 -0.856 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC001660058755 1071638768 /nfs/dbraw/zinc/63/87/68/1071638768.db2.gz GUUBPSIZHFCXMK-NSHDSACASA-N 1 2 390.487 -0.856 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC001660058755 1071638762 /nfs/dbraw/zinc/63/87/62/1071638762.db2.gz GUUBPSIZHFCXMK-NSHDSACASA-N 1 2 390.487 -0.856 20 0 GBADLO CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(CO)(CO)CC2)ccc1C ZINC001660071050 1071638837 /nfs/dbraw/zinc/63/88/37/1071638837.db2.gz LYDCTRMDLWJEFG-UHFFFAOYSA-N 1 2 385.486 -0.092 20 0 GBADLO CCc1ncc(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n1S(=O)(=O)N(C)C ZINC001660102166 1071639684 /nfs/dbraw/zinc/63/96/84/1071639684.db2.gz OHNXRWCVSOHEME-NEPJUHHUSA-N 1 2 393.535 -0.544 20 0 GBADLO CCc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n1S(=O)(=O)N(C)C ZINC001660102166 1071639681 /nfs/dbraw/zinc/63/96/81/1071639681.db2.gz OHNXRWCVSOHEME-NEPJUHHUSA-N 1 2 393.535 -0.544 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2Cc3c[nH]nc3C[C@H](C)C2)c(=O)[nH]c1=O ZINC001660161256 1071639843 /nfs/dbraw/zinc/63/98/43/1071639843.db2.gz VGEVTRBMTDLWOK-JTQLQIEISA-N 1 2 376.417 -0.222 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2Cc3c[nH]nc3C[C@H](C)C2)c(=O)[nH]c1=O ZINC001660161256 1071639834 /nfs/dbraw/zinc/63/98/34/1071639834.db2.gz VGEVTRBMTDLWOK-JTQLQIEISA-N 1 2 376.417 -0.222 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@@H+]2Cc3c[nH]nc3C[C@@H](C)C2)c(=O)[nH]c1=O ZINC001660161257 1071639455 /nfs/dbraw/zinc/63/94/55/1071639455.db2.gz VGEVTRBMTDLWOK-SNVBAGLBSA-N 1 2 376.417 -0.222 20 0 GBADLO COCCn1c(N)c(C(=O)C[N@H+]2Cc3c[nH]nc3C[C@@H](C)C2)c(=O)[nH]c1=O ZINC001660161257 1071639452 /nfs/dbraw/zinc/63/94/52/1071639452.db2.gz VGEVTRBMTDLWOK-SNVBAGLBSA-N 1 2 376.417 -0.222 20 0 GBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC001660245611 1071640476 /nfs/dbraw/zinc/64/04/76/1071640476.db2.gz BKABSZJHOGHLPI-UHFFFAOYSA-N 1 2 395.548 -0.155 20 0 GBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC001660245611 1071640469 /nfs/dbraw/zinc/64/04/69/1071640469.db2.gz BKABSZJHOGHLPI-UHFFFAOYSA-N 1 2 395.548 -0.155 20 0 GBADLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC001660324144 1071641111 /nfs/dbraw/zinc/64/11/11/1071641111.db2.gz RRTCCMKUVMRWNF-AWEZNQCLSA-N 1 2 393.488 -0.138 20 0 GBADLO CCC1(CC)CNC(=O)[C@H]1[NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC001660324147 1071641072 /nfs/dbraw/zinc/64/10/72/1071641072.db2.gz RRTCCMKUVMRWNF-CQSZACIVSA-N 1 2 393.488 -0.138 20 0 GBADLO COC(=O)[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001660343740 1071641966 /nfs/dbraw/zinc/64/19/66/1071641966.db2.gz YKVCVAQNJSKZJB-LLVKDONJSA-N 1 2 381.433 -0.050 20 0 GBADLO COC(=O)[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001660343740 1071641961 /nfs/dbraw/zinc/64/19/61/1071641961.db2.gz YKVCVAQNJSKZJB-LLVKDONJSA-N 1 2 381.433 -0.050 20 0 GBADLO COC(=O)[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001660343741 1071642021 /nfs/dbraw/zinc/64/20/21/1071642021.db2.gz YKVCVAQNJSKZJB-NSHDSACASA-N 1 2 381.433 -0.050 20 0 GBADLO COC(=O)[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001660343741 1071642016 /nfs/dbraw/zinc/64/20/16/1071642016.db2.gz YKVCVAQNJSKZJB-NSHDSACASA-N 1 2 381.433 -0.050 20 0 GBADLO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)cn1 ZINC001660348869 1071641797 /nfs/dbraw/zinc/64/17/97/1071641797.db2.gz WVAQUKRYVZZGBU-UHFFFAOYSA-N 1 2 376.398 -0.146 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001660399509 1071642929 /nfs/dbraw/zinc/64/29/29/1071642929.db2.gz RZMXNYQOZHOWTQ-MNOVXSKESA-N 1 2 387.462 -0.608 20 0 GBADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001660399509 1071642927 /nfs/dbraw/zinc/64/29/27/1071642927.db2.gz RZMXNYQOZHOWTQ-MNOVXSKESA-N 1 2 387.462 -0.608 20 0 GBADLO CN1C(=O)c2ccc(NC(=O)C[N@H+]3CC[C@H](CS(N)(=O)=O)C3)cc2C1=O ZINC001660446748 1071642945 /nfs/dbraw/zinc/64/29/45/1071642945.db2.gz FDRLIDAHCWVGNU-JTQLQIEISA-N 1 2 380.426 -0.539 20 0 GBADLO CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CC[C@H](CS(N)(=O)=O)C3)cc2C1=O ZINC001660446748 1071642942 /nfs/dbraw/zinc/64/29/42/1071642942.db2.gz FDRLIDAHCWVGNU-JTQLQIEISA-N 1 2 380.426 -0.539 20 0 GBADLO CN1C(=O)c2ccc(NC(=O)C[N@H+]3CC[C@@H](CS(N)(=O)=O)C3)cc2C1=O ZINC001660446749 1071642968 /nfs/dbraw/zinc/64/29/68/1071642968.db2.gz FDRLIDAHCWVGNU-SNVBAGLBSA-N 1 2 380.426 -0.539 20 0 GBADLO CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CC[C@@H](CS(N)(=O)=O)C3)cc2C1=O ZINC001660446749 1071642965 /nfs/dbraw/zinc/64/29/65/1071642965.db2.gz FDRLIDAHCWVGNU-SNVBAGLBSA-N 1 2 380.426 -0.539 20 0 GBADLO NS(=O)(=O)C[C@H]1CC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC001660446763 1071642727 /nfs/dbraw/zinc/64/27/27/1071642727.db2.gz FNXPPKMHFGPONQ-JTQLQIEISA-N 1 2 383.409 -0.650 20 0 GBADLO NS(=O)(=O)C[C@H]1CC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC001660446763 1071642721 /nfs/dbraw/zinc/64/27/21/1071642721.db2.gz FNXPPKMHFGPONQ-JTQLQIEISA-N 1 2 383.409 -0.650 20 0 GBADLO NS(=O)(=O)C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC001660446764 1071642788 /nfs/dbraw/zinc/64/27/88/1071642788.db2.gz FNXPPKMHFGPONQ-SNVBAGLBSA-N 1 2 383.409 -0.650 20 0 GBADLO NS(=O)(=O)C[C@@H]1CC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC001660446764 1071642782 /nfs/dbraw/zinc/64/27/82/1071642782.db2.gz FNXPPKMHFGPONQ-SNVBAGLBSA-N 1 2 383.409 -0.650 20 0 GBADLO NC(=O)c1c2c(sc1NC(=O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1)CCC2 ZINC001660448758 1071642956 /nfs/dbraw/zinc/64/29/56/1071642956.db2.gz UYJFYTQYKIHZTH-SECBINFHSA-N 1 2 386.499 -0.115 20 0 GBADLO NC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1)CCC2 ZINC001660448758 1071642952 /nfs/dbraw/zinc/64/29/52/1071642952.db2.gz UYJFYTQYKIHZTH-SECBINFHSA-N 1 2 386.499 -0.115 20 0 GBADLO NC(=O)c1c2c(sc1NC(=O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1)CCC2 ZINC001660448759 1071642880 /nfs/dbraw/zinc/64/28/80/1071642880.db2.gz UYJFYTQYKIHZTH-VIFPVBQESA-N 1 2 386.499 -0.115 20 0 GBADLO NC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1)CCC2 ZINC001660448759 1071642875 /nfs/dbraw/zinc/64/28/75/1071642875.db2.gz UYJFYTQYKIHZTH-VIFPVBQESA-N 1 2 386.499 -0.115 20 0 GBADLO COC(=O)C1(CS(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC001660469786 1071643678 /nfs/dbraw/zinc/64/36/78/1071643678.db2.gz FLMMFDMWQQQSPO-UHFFFAOYSA-N 1 2 397.501 -0.139 20 0 GBADLO COC(=O)[C@@H]1CN(C)C(=O)CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001660499314 1071643696 /nfs/dbraw/zinc/64/36/96/1071643696.db2.gz KGCIKOZYBODXTR-HNNXBMFYSA-N 1 2 389.456 -0.564 20 0 GBADLO COC(=O)[C@H]1CN(C)C(=O)CN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001660499315 1071643535 /nfs/dbraw/zinc/64/35/35/1071643535.db2.gz KGCIKOZYBODXTR-OAHLLOKOSA-N 1 2 389.456 -0.564 20 0 GBADLO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1nnnn1C ZINC001660503025 1071644541 /nfs/dbraw/zinc/64/45/41/1071644541.db2.gz AJPSCIJAPAOLQW-CYBMUJFWSA-N 1 2 393.473 -0.606 20 0 GBADLO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1nnnn1C ZINC001660503026 1071644294 /nfs/dbraw/zinc/64/42/94/1071644294.db2.gz AJPSCIJAPAOLQW-ZDUSSCGKSA-N 1 2 393.473 -0.606 20 0 GBADLO C[C@@](Cn1cccn1)([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC001660572279 1071644195 /nfs/dbraw/zinc/64/41/95/1071644195.db2.gz IVQSTRUESYALNW-INIZCTEOSA-N 1 2 379.442 -0.241 20 0 GBADLO C[C@](Cn1cccn1)([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(N)=O ZINC001660572280 1071644267 /nfs/dbraw/zinc/64/42/67/1071644267.db2.gz IVQSTRUESYALNW-MRXNPFEDSA-N 1 2 379.442 -0.241 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(OC)ccc2C(=O)OC)CC1 ZINC001660624203 1071645144 /nfs/dbraw/zinc/64/51/44/1071645144.db2.gz QBNGJNMRYFCQQQ-UHFFFAOYSA-N 1 2 399.469 -0.030 20 0 GBADLO NS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC001660763427 1071647115 /nfs/dbraw/zinc/64/71/15/1071647115.db2.gz WLLMWOMNELBVES-UHFFFAOYSA-N 1 2 399.498 -0.318 20 0 GBADLO C[C@@H](NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C1([NH+]2CCOCC2)CCCC1 ZINC001660816761 1071647830 /nfs/dbraw/zinc/64/78/30/1071647830.db2.gz QDOMJQMZKHYHFN-GFCCVEGCSA-N 1 2 386.474 -0.202 20 0 GBADLO C[C@H](NS(=O)(=O)c1cn(C)c(=O)[nH]c1=O)C1([NH+]2CCOCC2)CCCC1 ZINC001660816785 1071647741 /nfs/dbraw/zinc/64/77/41/1071647741.db2.gz QDOMJQMZKHYHFN-LBPRGKRZSA-N 1 2 386.474 -0.202 20 0 GBADLO CN(C(=O)C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C1CC1 ZINC001660930383 1071648720 /nfs/dbraw/zinc/64/87/20/1071648720.db2.gz HPBYJBNXNGVQKW-BCDMZGRMSA-N 1 2 376.501 -0.236 20 0 GBADLO O=C(NCC[NH+]1CCN(Cc2ncnn2CCF)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001660930917 1071648592 /nfs/dbraw/zinc/64/85/92/1071648592.db2.gz VGSYZAUEQJDFRJ-OCABDXPQSA-N 1 2 392.479 -0.095 20 0 GBADLO Cn1cc(CN2CC[NH+](CCNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)cn1 ZINC001660934459 1071648692 /nfs/dbraw/zinc/64/86/92/1071648692.db2.gz LYEKCUCZJGENMM-OKZBNKHCSA-N 1 2 377.489 -0.295 20 0 GBADLO Cn1cc(C[NH+]2CCN(CCNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)cn1 ZINC001660934459 1071648691 /nfs/dbraw/zinc/64/86/91/1071648691.db2.gz LYEKCUCZJGENMM-OKZBNKHCSA-N 1 2 377.489 -0.295 20 0 GBADLO NC(=O)Cn1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)nn1 ZINC001660962015 1071649493 /nfs/dbraw/zinc/64/94/93/1071649493.db2.gz XTSVSXJMQAZWLH-UHFFFAOYSA-N 1 2 378.458 -0.162 20 0 GBADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001661007242 1071649710 /nfs/dbraw/zinc/64/97/10/1071649710.db2.gz UALVIDSLOMKTHU-LJISPDSOSA-N 1 2 375.491 -0.832 20 0 GBADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001661007242 1071649706 /nfs/dbraw/zinc/64/97/06/1071649706.db2.gz UALVIDSLOMKTHU-LJISPDSOSA-N 1 2 375.491 -0.832 20 0 GBADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001661007251 1071649748 /nfs/dbraw/zinc/64/97/48/1071649748.db2.gz UALVIDSLOMKTHU-ZQDZILKHSA-N 1 2 375.491 -0.832 20 0 GBADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001661007251 1071649741 /nfs/dbraw/zinc/64/97/41/1071649741.db2.gz UALVIDSLOMKTHU-ZQDZILKHSA-N 1 2 375.491 -0.832 20 0 GBADLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001661007376 1071649523 /nfs/dbraw/zinc/64/95/23/1071649523.db2.gz WMASYEKMMGFZIW-KNCOVGOOSA-N 1 2 382.461 -0.536 20 0 GBADLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001661007376 1071649519 /nfs/dbraw/zinc/64/95/19/1071649519.db2.gz WMASYEKMMGFZIW-KNCOVGOOSA-N 1 2 382.461 -0.536 20 0 GBADLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001661007379 1071649304 /nfs/dbraw/zinc/64/93/04/1071649304.db2.gz WMASYEKMMGFZIW-RZLSGREXSA-N 1 2 382.461 -0.536 20 0 GBADLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001661007379 1071649301 /nfs/dbraw/zinc/64/93/01/1071649301.db2.gz WMASYEKMMGFZIW-RZLSGREXSA-N 1 2 382.461 -0.536 20 0 GBADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)CCCCS(N)(=O)=O)C[C@@H](C)O1 ZINC001661039245 1071650178 /nfs/dbraw/zinc/65/01/78/1071650178.db2.gz LIPYOPOLLOKWRM-KFWWJZLASA-N 1 2 397.563 -0.042 20 0 GBADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)CCCCS(N)(=O)=O)C[C@H](C)O1 ZINC001661039246 1071650163 /nfs/dbraw/zinc/65/01/63/1071650163.db2.gz LIPYOPOLLOKWRM-QLFBSQMISA-N 1 2 397.563 -0.042 20 0 GBADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)CCCCS(N)(=O)=O)C[C@H](C)O1 ZINC001661039246 1071650157 /nfs/dbraw/zinc/65/01/57/1071650157.db2.gz LIPYOPOLLOKWRM-QLFBSQMISA-N 1 2 397.563 -0.042 20 0 GBADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)CCCCS(N)(=O)=O)C[C@@H](C)O1 ZINC001661039247 1071650243 /nfs/dbraw/zinc/65/02/43/1071650243.db2.gz LIPYOPOLLOKWRM-RBSFLKMASA-N 1 2 397.563 -0.042 20 0 GBADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)CCCCS(N)(=O)=O)C[C@H](C)O1 ZINC001661039248 1071650365 /nfs/dbraw/zinc/65/03/65/1071650365.db2.gz LIPYOPOLLOKWRM-ZNMIVQPWSA-N 1 2 397.563 -0.042 20 0 GBADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)CCCCS(N)(=O)=O)C[C@H](C)O1 ZINC001661039248 1071650363 /nfs/dbraw/zinc/65/03/63/1071650363.db2.gz LIPYOPOLLOKWRM-ZNMIVQPWSA-N 1 2 397.563 -0.042 20 0 GBADLO O=S(=O)(CCn1cc[nH+]c1)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC001661042066 1071650295 /nfs/dbraw/zinc/65/02/95/1071650295.db2.gz QJVWKHGHMSIEMH-LLVKDONJSA-N 1 2 379.485 -0.301 20 0 GBADLO O=S(=O)(CCn1cc[nH+]c1)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC001661042068 1071650404 /nfs/dbraw/zinc/65/04/04/1071650404.db2.gz QJVWKHGHMSIEMH-NSHDSACASA-N 1 2 379.485 -0.301 20 0 GBADLO CNS(=O)(=O)c1ccc(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)nc1 ZINC001661066263 1071651121 /nfs/dbraw/zinc/65/11/21/1071651121.db2.gz QGYWPCMNORAOBR-UHFFFAOYSA-N 1 2 385.446 -0.440 20 0 GBADLO CNS(=O)(=O)c1ccc(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)nc1 ZINC001661066263 1071651118 /nfs/dbraw/zinc/65/11/18/1071651118.db2.gz QGYWPCMNORAOBR-UHFFFAOYSA-N 1 2 385.446 -0.440 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001661098689 1071651148 /nfs/dbraw/zinc/65/11/48/1071651148.db2.gz FRMHYEPYVXIDHL-CABCVRRESA-N 1 2 396.531 -0.636 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001661098690 1071650944 /nfs/dbraw/zinc/65/09/44/1071650944.db2.gz FRMHYEPYVXIDHL-GJZGRUSLSA-N 1 2 396.531 -0.636 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001661098691 1071650977 /nfs/dbraw/zinc/65/09/77/1071650977.db2.gz FRMHYEPYVXIDHL-HUUCEWRRSA-N 1 2 396.531 -0.636 20 0 GBADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001661098692 1071651072 /nfs/dbraw/zinc/65/10/72/1071651072.db2.gz FRMHYEPYVXIDHL-LSDHHAIUSA-N 1 2 396.531 -0.636 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NCc2cccnc2N2CC[NH+](C)CC2)n[nH]1 ZINC001661134697 1071651588 /nfs/dbraw/zinc/65/15/88/1071651588.db2.gz IYZYASAYQIGALH-UHFFFAOYSA-N 1 2 394.457 -0.178 20 0 GBADLO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001661211168 1071653601 /nfs/dbraw/zinc/65/36/01/1071653601.db2.gz YSPYKOHLRXZZBU-AWEZNQCLSA-N 1 2 390.506 -0.788 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001661211169 1071653258 /nfs/dbraw/zinc/65/32/58/1071653258.db2.gz YSPYKOHLRXZZBU-CQSZACIVSA-N 1 2 390.506 -0.788 20 0 GBADLO Cc1cc(NC(=O)CN2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)no1 ZINC001661223076 1071653532 /nfs/dbraw/zinc/65/35/32/1071653532.db2.gz SFGGRARGLDBZOK-UHFFFAOYSA-N 1 2 382.446 -0.234 20 0 GBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)C2CCC(C(=O)OC)CC2)CC1 ZINC001661280549 1071654016 /nfs/dbraw/zinc/65/40/16/1071654016.db2.gz COFCFHKJSWTEFJ-UHFFFAOYSA-N 1 2 375.491 -0.152 20 0 GBADLO C[C@@H](CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC001661330756 1071654975 /nfs/dbraw/zinc/65/49/75/1071654975.db2.gz YUKGLGKAQHZJCF-AWEZNQCLSA-N 1 2 394.563 -0.528 20 0 GBADLO C[C@H](CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC001661330757 1071655043 /nfs/dbraw/zinc/65/50/43/1071655043.db2.gz YUKGLGKAQHZJCF-CQSZACIVSA-N 1 2 394.563 -0.528 20 0 GBADLO Cc1nc(N2CCN(S(=O)(=O)CCS(=O)(=O)N(C)C)CC2)cc[nH+]1 ZINC001661337794 1071655114 /nfs/dbraw/zinc/65/51/14/1071655114.db2.gz NCBIQGACBCTMBV-UHFFFAOYSA-N 1 2 377.492 -0.872 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)CCN2CCOC2=O)CC1 ZINC001661357270 1071655696 /nfs/dbraw/zinc/65/56/96/1071655696.db2.gz YFXOZIBQRONEIG-UHFFFAOYSA-N 1 2 376.479 -0.651 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n[nH]1 ZINC001661372727 1071655602 /nfs/dbraw/zinc/65/56/02/1071655602.db2.gz SNBIEDDBQSWCQN-UHFFFAOYSA-N 1 2 399.473 -0.629 20 0 GBADLO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1C(=O)OC ZINC001661513748 1071657250 /nfs/dbraw/zinc/65/72/50/1071657250.db2.gz GYMRYPYIBKHQET-GFCCVEGCSA-N 1 2 399.469 -0.216 20 0 GBADLO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1C(=O)OC ZINC001661513748 1071657246 /nfs/dbraw/zinc/65/72/46/1071657246.db2.gz GYMRYPYIBKHQET-GFCCVEGCSA-N 1 2 399.469 -0.216 20 0 GBADLO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1C(=O)OC ZINC001661513749 1071657079 /nfs/dbraw/zinc/65/70/79/1071657079.db2.gz GYMRYPYIBKHQET-LBPRGKRZSA-N 1 2 399.469 -0.216 20 0 GBADLO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1C(=O)OC ZINC001661513749 1071657072 /nfs/dbraw/zinc/65/70/72/1071657072.db2.gz GYMRYPYIBKHQET-LBPRGKRZSA-N 1 2 399.469 -0.216 20 0 GBADLO COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001661514489 1071657416 /nfs/dbraw/zinc/65/74/16/1071657416.db2.gz SSSKPMTUGRIEBO-AWEZNQCLSA-N 1 2 385.486 -0.065 20 0 GBADLO COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001661514489 1071657410 /nfs/dbraw/zinc/65/74/10/1071657410.db2.gz SSSKPMTUGRIEBO-AWEZNQCLSA-N 1 2 385.486 -0.065 20 0 GBADLO COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001661514498 1071657517 /nfs/dbraw/zinc/65/75/17/1071657517.db2.gz SSSKPMTUGRIEBO-CQSZACIVSA-N 1 2 385.486 -0.065 20 0 GBADLO COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001661514498 1071657506 /nfs/dbraw/zinc/65/75/06/1071657506.db2.gz SSSKPMTUGRIEBO-CQSZACIVSA-N 1 2 385.486 -0.065 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC001661721939 1071659558 /nfs/dbraw/zinc/65/95/58/1071659558.db2.gz QTOATLBMHWGWHV-GFCCVEGCSA-N 1 2 385.446 -0.701 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n[nH]1 ZINC001661721939 1071659554 /nfs/dbraw/zinc/65/95/54/1071659554.db2.gz QTOATLBMHWGWHV-GFCCVEGCSA-N 1 2 385.446 -0.701 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC001661721940 1071659776 /nfs/dbraw/zinc/65/97/76/1071659776.db2.gz QTOATLBMHWGWHV-LBPRGKRZSA-N 1 2 385.446 -0.701 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n[nH]1 ZINC001661721940 1071659773 /nfs/dbraw/zinc/65/97/73/1071659773.db2.gz QTOATLBMHWGWHV-LBPRGKRZSA-N 1 2 385.446 -0.701 20 0 GBADLO Cn1cnnc1S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001661747080 1071660499 /nfs/dbraw/zinc/66/04/99/1071660499.db2.gz LQONRGJCZUDHFV-UHFFFAOYSA-N 1 2 379.446 -0.773 20 0 GBADLO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2c[nH]c3ncncc23)CC1 ZINC001661956207 1071662908 /nfs/dbraw/zinc/66/29/08/1071662908.db2.gz ORFRLDCZVYTNLK-UHFFFAOYSA-N 1 2 378.458 -0.162 20 0 GBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC001661977465 1071663489 /nfs/dbraw/zinc/66/34/89/1071663489.db2.gz JSUTXYMCPQQTPB-UHFFFAOYSA-N 1 2 396.469 -0.152 20 0 GBADLO COC(=O)c1ccnc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC001661978231 1071663589 /nfs/dbraw/zinc/66/35/89/1071663589.db2.gz SIJJWJZQOVEYPP-UHFFFAOYSA-N 1 2 384.458 -0.301 20 0 GBADLO COc1cc(C[C@H](CO)CNS(=O)(=O)N2CC[NH+](C)CC2)cc(OC)c1 ZINC001661981122 1071663530 /nfs/dbraw/zinc/66/35/30/1071663530.db2.gz LLGGXXCTKBJTHR-HNNXBMFYSA-N 1 2 387.502 -0.063 20 0 GBADLO COc1cc(C[C@@H](CO)CNS(=O)(=O)N2CC[NH+](C)CC2)cc(OC)c1 ZINC001661981123 1071663399 /nfs/dbraw/zinc/66/33/99/1071663399.db2.gz LLGGXXCTKBJTHR-OAHLLOKOSA-N 1 2 387.502 -0.063 20 0 GBADLO Cc1nn(CCS(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(=O)o1 ZINC001662131522 1071665875 /nfs/dbraw/zinc/66/58/75/1071665875.db2.gz AJPFSXMQIBNWRV-AWEZNQCLSA-N 1 2 375.495 -0.664 20 0 GBADLO Cc1nn(CCS(=O)(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(=O)o1 ZINC001662131523 1071665781 /nfs/dbraw/zinc/66/57/81/1071665781.db2.gz AJPFSXMQIBNWRV-CQSZACIVSA-N 1 2 375.495 -0.664 20 0 GBADLO COc1ccc(CN2CC[C@H](NS(=O)(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC001662150202 1071666454 /nfs/dbraw/zinc/66/64/54/1071666454.db2.gz SHOAJQPVWGDUHR-INIZCTEOSA-N 1 2 382.486 -0.122 20 0 GBADLO COc1ccc(CN2CC[C@@H](NS(=O)(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC001662150204 1071666215 /nfs/dbraw/zinc/66/62/15/1071666215.db2.gz SHOAJQPVWGDUHR-MRXNPFEDSA-N 1 2 382.486 -0.122 20 0 GBADLO CCOc1ccnc(N2CCCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001662161926 1071666603 /nfs/dbraw/zinc/66/66/03/1071666603.db2.gz CAMFDASGRYXZBK-UHFFFAOYSA-N 1 2 384.506 -0.120 20 0 GBADLO C[C@@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001662284302 1071667974 /nfs/dbraw/zinc/66/79/74/1071667974.db2.gz XIZOVJVWXGMENI-INIZCTEOSA-N 1 2 382.534 -0.326 20 0 GBADLO C[C@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001662284303 1071667719 /nfs/dbraw/zinc/66/77/19/1071667719.db2.gz XIZOVJVWXGMENI-MRXNPFEDSA-N 1 2 382.534 -0.326 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001662322036 1071668029 /nfs/dbraw/zinc/66/80/29/1071668029.db2.gz XYEYTHHZDWLUAM-INIZCTEOSA-N 1 2 379.486 -0.093 20 0 GBADLO COCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001662378325 1071668640 /nfs/dbraw/zinc/66/86/40/1071668640.db2.gz KBUOHFBMDFLJQH-INIZCTEOSA-N 1 2 384.502 -0.558 20 0 GBADLO O=C1OCCN1CCS(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001662405879 1071669514 /nfs/dbraw/zinc/66/95/14/1071669514.db2.gz DEADNIJUYKJCDB-UHFFFAOYSA-N 1 2 377.463 -0.761 20 0 GBADLO CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC001662421639 1071669330 /nfs/dbraw/zinc/66/93/30/1071669330.db2.gz SGDZLPBLGCGWHQ-UHFFFAOYSA-N 1 2 390.531 -0.045 20 0 GBADLO NS(=O)(=O)CCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001662681371 1071672989 /nfs/dbraw/zinc/67/29/89/1071672989.db2.gz AEHBLMJHKGFVKP-KBPBESRZSA-N 1 2 383.536 -0.382 20 0 GBADLO NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001662681372 1071672996 /nfs/dbraw/zinc/67/29/96/1071672996.db2.gz AEHBLMJHKGFVKP-KGLIPLIRSA-N 1 2 383.536 -0.382 20 0 GBADLO NS(=O)(=O)CCCCS(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001662681373 1071673004 /nfs/dbraw/zinc/67/30/04/1071673004.db2.gz AEHBLMJHKGFVKP-UONOGXRCSA-N 1 2 383.536 -0.382 20 0 GBADLO NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001662681374 1071672893 /nfs/dbraw/zinc/67/28/93/1071672893.db2.gz AEHBLMJHKGFVKP-ZIAGYGMSSA-N 1 2 383.536 -0.382 20 0 GBADLO COCCS(=O)(=O)c1ccc(CNS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC001662756606 1071674587 /nfs/dbraw/zinc/67/45/87/1071674587.db2.gz LGVRTHLYOJHUPL-UHFFFAOYSA-N 1 2 391.515 -0.312 20 0 GBADLO COC(=O)c1cncc(S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC001662759233 1071674399 /nfs/dbraw/zinc/67/43/99/1071674399.db2.gz FZSAEKFBMCSCTC-HNNXBMFYSA-N 1 2 396.469 -0.158 20 0 GBADLO COC(=O)c1cncc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC001662759237 1071674262 /nfs/dbraw/zinc/67/42/62/1071674262.db2.gz FZSAEKFBMCSCTC-OAHLLOKOSA-N 1 2 396.469 -0.158 20 0 GBADLO COC(=O)C1(NS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CCS(=O)(=O)CC1 ZINC001662998185 1071677475 /nfs/dbraw/zinc/67/74/75/1071677475.db2.gz NLIKATRLEWHYTG-AWEZNQCLSA-N 1 2 394.515 -0.488 20 0 GBADLO COC(=O)C1(NS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CCS(=O)(=O)CC1 ZINC001662998185 1071677470 /nfs/dbraw/zinc/67/74/70/1071677470.db2.gz NLIKATRLEWHYTG-AWEZNQCLSA-N 1 2 394.515 -0.488 20 0 GBADLO CCOC(=O)c1n[nH]c(C2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001663106208 1071678740 /nfs/dbraw/zinc/67/87/40/1071678740.db2.gz JOMKOMRKEFGKNG-UHFFFAOYSA-N 1 2 386.478 -0.347 20 0 GBADLO C[N@@H+](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)CC(=O)NCC(=O)NC(C)(C)C ZINC001663233949 1071680694 /nfs/dbraw/zinc/68/06/94/1071680694.db2.gz NPJUUFVROCBFJO-GRDNDAEWSA-N 1 2 382.505 -0.120 20 0 GBADLO C[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)CC(=O)NCC(=O)NC(C)(C)C ZINC001663233949 1071680692 /nfs/dbraw/zinc/68/06/92/1071680692.db2.gz NPJUUFVROCBFJO-GRDNDAEWSA-N 1 2 382.505 -0.120 20 0 GBADLO NC(=O)Cn1cc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)ccc1=O ZINC001663237586 1071680870 /nfs/dbraw/zinc/68/08/70/1071680870.db2.gz ZJULIJJAPQKVDE-UHFFFAOYSA-N 1 2 385.428 -0.484 20 0 GBADLO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC001663299248 1071681481 /nfs/dbraw/zinc/68/14/81/1071681481.db2.gz POFMYQMAVUVMDV-UHFFFAOYSA-N 1 2 393.535 -0.288 20 0 GBADLO CCOC(=O)c1ccc(N2CC(NS(=O)(=O)N3CC[NH+](C)CC3)C2)nc1 ZINC001663326642 1071682380 /nfs/dbraw/zinc/68/23/80/1071682380.db2.gz WHMTXVHMDLIQSR-UHFFFAOYSA-N 1 2 383.474 -0.471 20 0 GBADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)C1 ZINC001663529778 1071685999 /nfs/dbraw/zinc/68/59/99/1071685999.db2.gz DXKMDPAZYGSNJO-UHFFFAOYSA-N 1 2 388.515 -0.379 20 0 GBADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)C1 ZINC001663529778 1071685995 /nfs/dbraw/zinc/68/59/95/1071685995.db2.gz DXKMDPAZYGSNJO-UHFFFAOYSA-N 1 2 388.515 -0.379 20 0 GBADLO COC(=O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC001663544430 1071686715 /nfs/dbraw/zinc/68/67/15/1071686715.db2.gz JJAZGXPNTBVHFI-HIFRSBDPSA-N 1 2 394.515 -0.536 20 0 GBADLO COC(=O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC001663544430 1071686709 /nfs/dbraw/zinc/68/67/09/1071686709.db2.gz JJAZGXPNTBVHFI-HIFRSBDPSA-N 1 2 394.515 -0.536 20 0 GBADLO CNS(=O)(=O)c1ccc(CCNS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC001663669775 1071688023 /nfs/dbraw/zinc/68/80/23/1071688023.db2.gz AJDNCJDRKDHDCT-UHFFFAOYSA-N 1 2 376.504 -0.781 20 0 GBADLO CC[C@@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)N2CC[NH+](C)CC2)C1=O ZINC001663751802 1071689560 /nfs/dbraw/zinc/68/95/60/1071689560.db2.gz JPWAEKPFLUHUMQ-INIZCTEOSA-N 1 2 381.458 -0.160 20 0 GBADLO CC[C@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)N2CC[NH+](C)CC2)C1=O ZINC001663751803 1071689330 /nfs/dbraw/zinc/68/93/30/1071689330.db2.gz JPWAEKPFLUHUMQ-MRXNPFEDSA-N 1 2 381.458 -0.160 20 0 GBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC001663823499 1071692144 /nfs/dbraw/zinc/69/21/44/1071692144.db2.gz YPISAAJABNMSLY-UHFFFAOYSA-N 1 2 393.487 -0.345 20 0 GBADLO CN(C)c1cc(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc[nH+]1 ZINC001663898090 1071693542 /nfs/dbraw/zinc/69/35/42/1071693542.db2.gz OIDHMZAALMLCOZ-UHFFFAOYSA-N 1 2 380.434 -0.196 20 0 GBADLO CC(C)C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)N1CCOCC1 ZINC001664080070 1071697789 /nfs/dbraw/zinc/69/77/89/1071697789.db2.gz MKVNCQSTUJCXLW-INIZCTEOSA-N 1 2 391.534 -0.098 20 0 GBADLO COC(=O)c1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nn1C ZINC001664090609 1071698744 /nfs/dbraw/zinc/69/87/44/1071698744.db2.gz IFYXYMFQFFNBPM-UHFFFAOYSA-N 1 2 387.462 -0.163 20 0 GBADLO Cn1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1C(N)=O ZINC001664107290 1071698758 /nfs/dbraw/zinc/69/87/58/1071698758.db2.gz VIYXKUMVUQBWKO-CYBMUJFWSA-N 1 2 383.474 -0.903 20 0 GBADLO Cn1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1C(N)=O ZINC001664107291 1071698665 /nfs/dbraw/zinc/69/86/65/1071698665.db2.gz VIYXKUMVUQBWKO-ZDUSSCGKSA-N 1 2 383.474 -0.903 20 0 GBADLO Cc1oc(C(N)=O)cc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001664107494 1071698777 /nfs/dbraw/zinc/69/87/77/1071698777.db2.gz ZGJMYUOUBBCTKJ-GFCCVEGCSA-N 1 2 384.458 -0.340 20 0 GBADLO Cc1oc(C(N)=O)cc1S(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001664107495 1071698699 /nfs/dbraw/zinc/69/86/99/1071698699.db2.gz ZGJMYUOUBBCTKJ-LBPRGKRZSA-N 1 2 384.458 -0.340 20 0 GBADLO CNC(=O)c1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cn1C ZINC001664107518 1071698600 /nfs/dbraw/zinc/69/86/00/1071698600.db2.gz ZQECJGOJJVRBPT-AWEZNQCLSA-N 1 2 397.501 -0.642 20 0 GBADLO CNC(=O)c1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cn1C ZINC001664107519 1071698651 /nfs/dbraw/zinc/69/86/51/1071698651.db2.gz ZQECJGOJJVRBPT-CQSZACIVSA-N 1 2 397.501 -0.642 20 0 GBADLO COC(=O)[C@@H]([NH2+]CCCNS(=O)(=O)N1CCC(C(=O)OC)CC1)C(C)C ZINC001664108448 1071698562 /nfs/dbraw/zinc/69/85/62/1071698562.db2.gz JHNHGFPYWAOLSQ-AWEZNQCLSA-N 1 2 393.506 -0.117 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cc(C(=O)OC)ccc1OC ZINC001664211999 1071700852 /nfs/dbraw/zinc/70/08/52/1071700852.db2.gz ADIIHAMFCDSNOY-LBPRGKRZSA-N 1 2 396.425 -0.160 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cc(C(=O)OC)ccc1OC ZINC001664211999 1071700849 /nfs/dbraw/zinc/70/08/49/1071700849.db2.gz ADIIHAMFCDSNOY-LBPRGKRZSA-N 1 2 396.425 -0.160 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)CC1 ZINC001664212094 1071700877 /nfs/dbraw/zinc/70/08/77/1071700877.db2.gz DHMVHOCBMRSMOT-ZDUSSCGKSA-N 1 2 387.462 -0.824 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)CC1 ZINC001664212094 1071700873 /nfs/dbraw/zinc/70/08/73/1071700873.db2.gz DHMVHOCBMRSMOT-ZDUSSCGKSA-N 1 2 387.462 -0.824 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)Cc1ccccc1C(=O)OC ZINC001664212180 1071701126 /nfs/dbraw/zinc/70/11/26/1071701126.db2.gz DVTMNGUPXZRRGT-AWEZNQCLSA-N 1 2 380.426 -0.027 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)Cc1ccccc1C(=O)OC ZINC001664212180 1071701118 /nfs/dbraw/zinc/70/11/18/1071701118.db2.gz DVTMNGUPXZRRGT-AWEZNQCLSA-N 1 2 380.426 -0.027 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(CCNC(C)=O)cc1 ZINC001664212182 1071701310 /nfs/dbraw/zinc/70/13/10/1071701310.db2.gz DWWODKIORRFTGO-INIZCTEOSA-N 1 2 393.469 -0.276 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(CCNC(C)=O)cc1 ZINC001664212182 1071701306 /nfs/dbraw/zinc/70/13/06/1071701306.db2.gz DWWODKIORRFTGO-INIZCTEOSA-N 1 2 393.469 -0.276 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC001664212299 1071701344 /nfs/dbraw/zinc/70/13/44/1071701344.db2.gz JCVBVRAPSRWLIV-NSHDSACASA-N 1 2 379.398 -0.510 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC001664212299 1071701339 /nfs/dbraw/zinc/70/13/39/1071701339.db2.gz JCVBVRAPSRWLIV-NSHDSACASA-N 1 2 379.398 -0.510 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001664212552 1071701092 /nfs/dbraw/zinc/70/10/92/1071701092.db2.gz KYQPNIJUWFNZTC-LBPRGKRZSA-N 1 2 387.462 -0.395 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001664212552 1071701084 /nfs/dbraw/zinc/70/10/84/1071701084.db2.gz KYQPNIJUWFNZTC-LBPRGKRZSA-N 1 2 387.462 -0.395 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC001664213261 1071700922 /nfs/dbraw/zinc/70/09/22/1071700922.db2.gz RDKLIMLRGGBOFY-HNNXBMFYSA-N 1 2 391.453 -0.489 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC001664213261 1071700915 /nfs/dbraw/zinc/70/09/15/1071700915.db2.gz RDKLIMLRGGBOFY-HNNXBMFYSA-N 1 2 391.453 -0.489 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cn(C)nc1Br ZINC001664213857 1071700819 /nfs/dbraw/zinc/70/08/19/1071700819.db2.gz YNHJANALQKVBNH-QMMMGPOBSA-N 1 2 391.251 -0.459 20 0 GBADLO CS(=O)(=O)c1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cn1 ZINC001664233907 1071701987 /nfs/dbraw/zinc/70/19/87/1071701987.db2.gz WOWBZQFBTYQDHE-UHFFFAOYSA-N 1 2 377.488 -0.373 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)CC1 ZINC001664237820 1071701741 /nfs/dbraw/zinc/70/17/41/1071701741.db2.gz QRVSWTLKSBCDFY-UHFFFAOYSA-N 1 2 390.506 -0.788 20 0 GBADLO COC(=O)C1CCN(S(=O)(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)CC1 ZINC001664237820 1071701738 /nfs/dbraw/zinc/70/17/38/1071701738.db2.gz QRVSWTLKSBCDFY-UHFFFAOYSA-N 1 2 390.506 -0.788 20 0 GBADLO CCNS(=O)(=O)c1cccc(CNS(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC001664353184 1071703937 /nfs/dbraw/zinc/70/39/37/1071703937.db2.gz MKUKVWDKYRYRAO-UHFFFAOYSA-N 1 2 376.504 -0.433 20 0 GBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cn(C)nc2C(N)=O)CC1 ZINC001664464317 1071706867 /nfs/dbraw/zinc/70/68/67/1071706867.db2.gz WFBIOMYOQINGIH-UHFFFAOYSA-N 1 2 379.465 -0.073 20 0 GBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cn(C)nc2C(N)=O)CC1 ZINC001664464317 1071706861 /nfs/dbraw/zinc/70/68/61/1071706861.db2.gz WFBIOMYOQINGIH-UHFFFAOYSA-N 1 2 379.465 -0.073 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CC[N@@H+](C)C1 ZINC001664493581 1071707228 /nfs/dbraw/zinc/70/72/28/1071707228.db2.gz BBSPRHNGAHMPSR-LLVKDONJSA-N 1 2 380.426 -0.352 20 0 GBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CC[N@H+](C)C1 ZINC001664493581 1071707218 /nfs/dbraw/zinc/70/72/18/1071707218.db2.gz BBSPRHNGAHMPSR-LLVKDONJSA-N 1 2 380.426 -0.352 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CC[N@@H+](C)C1 ZINC001664493582 1071707394 /nfs/dbraw/zinc/70/73/94/1071707394.db2.gz BBSPRHNGAHMPSR-NSHDSACASA-N 1 2 380.426 -0.352 20 0 GBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CC[N@H+](C)C1 ZINC001664493582 1071707392 /nfs/dbraw/zinc/70/73/92/1071707392.db2.gz BBSPRHNGAHMPSR-NSHDSACASA-N 1 2 380.426 -0.352 20 0 GBADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCN3CCOC[C@]3(CO)C2)C1 ZINC001664513596 1071707445 /nfs/dbraw/zinc/70/74/45/1071707445.db2.gz OZFKGAOVRMWHJX-GOSISDBHSA-N 1 2 381.498 -0.258 20 0 GBADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCN3CCOC[C@]3(CO)C2)C1 ZINC001664513596 1071707441 /nfs/dbraw/zinc/70/74/41/1071707441.db2.gz OZFKGAOVRMWHJX-GOSISDBHSA-N 1 2 381.498 -0.258 20 0 GBADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCN3CCOC[C@@]3(CO)C2)C1 ZINC001664513597 1071707302 /nfs/dbraw/zinc/70/73/02/1071707302.db2.gz OZFKGAOVRMWHJX-SFHVURJKSA-N 1 2 381.498 -0.258 20 0 GBADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCN3CCOC[C@@]3(CO)C2)C1 ZINC001664513597 1071707297 /nfs/dbraw/zinc/70/72/97/1071707297.db2.gz OZFKGAOVRMWHJX-SFHVURJKSA-N 1 2 381.498 -0.258 20 0 GBADLO Cn1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c(Br)n1 ZINC001664535962 1071708032 /nfs/dbraw/zinc/70/80/32/1071708032.db2.gz IXIXTBMTDAMABK-VIFPVBQESA-N 1 2 394.295 -0.199 20 0 GBADLO Cn1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(Br)n1 ZINC001664535962 1071708025 /nfs/dbraw/zinc/70/80/25/1071708025.db2.gz IXIXTBMTDAMABK-VIFPVBQESA-N 1 2 394.295 -0.199 20 0 GBADLO CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001664558546 1071708885 /nfs/dbraw/zinc/70/88/85/1071708885.db2.gz QRKFAOJVWNNESQ-KGLIPLIRSA-N 1 2 393.506 -0.392 20 0 GBADLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)c3cccc(C(N)=O)c3)CC2)C1=O ZINC001664697701 1071711161 /nfs/dbraw/zinc/71/11/61/1071711161.db2.gz PYXYCFBUADCXCX-HNNXBMFYSA-N 1 2 380.470 -0.241 20 0 GBADLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3cccc(C(N)=O)c3)CC2)C1=O ZINC001664697702 1071711534 /nfs/dbraw/zinc/71/15/34/1071711534.db2.gz PYXYCFBUADCXCX-OAHLLOKOSA-N 1 2 380.470 -0.241 20 0 GBADLO CN(C)[S@](C)(=O)=NS(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001664698068 1071711182 /nfs/dbraw/zinc/71/11/82/1071711182.db2.gz WFSVAKCVAMNZQB-DAOPMYJZSA-N 1 2 381.524 -0.910 20 0 GBADLO CN(C)[S@@](C)(=O)=NS(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001664698081 1071711583 /nfs/dbraw/zinc/71/15/83/1071711583.db2.gz WFSVAKCVAMNZQB-MYODQAERSA-N 1 2 381.524 -0.910 20 0 GBADLO CN(C)[S@](C)(=O)=NS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001664698082 1071711618 /nfs/dbraw/zinc/71/16/18/1071711618.db2.gz WFSVAKCVAMNZQB-SFDCACGMSA-N 1 2 381.524 -0.910 20 0 GBADLO CN(C)[S@@](C)(=O)=NS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001664698084 1071711202 /nfs/dbraw/zinc/71/12/02/1071711202.db2.gz WFSVAKCVAMNZQB-SPSFWMDKSA-N 1 2 381.524 -0.910 20 0 GBADLO C[C@H](CNC(=O)Nc1ccc2c(c1)n(C)c(=O)n(C)c2=O)[NH+]1CCN(C)CC1 ZINC001664754099 1071712120 /nfs/dbraw/zinc/71/21/20/1071712120.db2.gz NMBMRGYQLSCOLA-CYBMUJFWSA-N 1 2 388.472 -0.005 20 0 GBADLO C[C@@H](CNC(=O)Nc1ccc2c(c1)n(C)c(=O)n(C)c2=O)[NH+]1CCN(C)CC1 ZINC001664754100 1071711963 /nfs/dbraw/zinc/71/19/63/1071711963.db2.gz NMBMRGYQLSCOLA-ZDUSSCGKSA-N 1 2 388.472 -0.005 20 0 GBADLO CN(CC[NH+]1CCN(Cc2nnn(C)n2)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001664771708 1071712722 /nfs/dbraw/zinc/71/27/22/1071712722.db2.gz GJASDWKRLGULTH-NMNMXBMNSA-N 1 2 375.477 -0.791 20 0 GBADLO CNC(=O)[C@@H](C)[NH+]1CCN(CCN(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001664777048 1071712946 /nfs/dbraw/zinc/71/29/46/1071712946.db2.gz DUIKDUBLMILTKX-LTIDMASMSA-N 1 2 382.505 -0.752 20 0 GBADLO CNC(=O)[C@H](C)[NH+]1CCN(CCN(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001664777049 1071712933 /nfs/dbraw/zinc/71/29/33/1071712933.db2.gz DUIKDUBLMILTKX-LUKYLMHMSA-N 1 2 382.505 -0.752 20 0 GBADLO CN(CCN1CC[NH+]([C@H]2CCNC2=O)CC1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001664777119 1071712670 /nfs/dbraw/zinc/71/26/70/1071712670.db2.gz GJOXXTUGBCVUNM-LUKYLMHMSA-N 1 2 380.489 -0.998 20 0 GBADLO CN(CCN1CC[NH+]([C@@H]2CCNC2=O)CC1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001664777120 1071712793 /nfs/dbraw/zinc/71/27/93/1071712793.db2.gz GJOXXTUGBCVUNM-MWDXBVQZSA-N 1 2 380.489 -0.998 20 0 GBADLO CN(CCN1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001664777569 1071712910 /nfs/dbraw/zinc/71/29/10/1071712910.db2.gz NFQKGCMFUKEVEI-SUMCQTLJSA-N 1 2 376.501 -0.284 20 0 GBADLO CN(CCN1CC[NH+]([C@H]2CCN(C)C2=O)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001664777572 1071712821 /nfs/dbraw/zinc/71/28/21/1071712821.db2.gz NFQKGCMFUKEVEI-UFYUIRFASA-N 1 2 376.501 -0.284 20 0 GBADLO CNC(=O)NC(=O)CN1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001664781337 1071712746 /nfs/dbraw/zinc/71/27/46/1071712746.db2.gz IYTAVUYTZUYJDV-KFWWJZLASA-N 1 2 381.477 -0.915 20 0 GBADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001664799771 1071713615 /nfs/dbraw/zinc/71/36/15/1071713615.db2.gz JWGMBMPNNHSXBO-OKILXGFUSA-N 1 2 377.449 -0.107 20 0 GBADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001664799771 1071713608 /nfs/dbraw/zinc/71/36/08/1071713608.db2.gz JWGMBMPNNHSXBO-OKILXGFUSA-N 1 2 377.449 -0.107 20 0 GBADLO CCc1ccc([C@@H]2CN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC[NH2+]2)cc1 ZINC001664936131 1071716034 /nfs/dbraw/zinc/71/60/34/1071716034.db2.gz SALVXNMILQKNBN-HNNXBMFYSA-N 1 2 392.481 -0.018 20 0 GBADLO CCc1ccc([C@H]2CN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC[NH2+]2)cc1 ZINC001664936132 1071716101 /nfs/dbraw/zinc/71/61/01/1071716101.db2.gz SALVXNMILQKNBN-OAHLLOKOSA-N 1 2 392.481 -0.018 20 0 GBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC(C)(C)n3cc[nH+]c3)cnc21 ZINC001665019598 1071717544 /nfs/dbraw/zinc/71/75/44/1071717544.db2.gz GLZINWTZZPHZAE-UHFFFAOYSA-N 1 2 378.414 -0.056 20 0 GBADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC2CCN(S(N)(=O)=O)CC2)C1 ZINC001665132953 1071719949 /nfs/dbraw/zinc/71/99/49/1071719949.db2.gz IFGCEFGNSGKDCJ-UHFFFAOYSA-N 1 2 388.515 -0.379 20 0 GBADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC2CCN(S(N)(=O)=O)CC2)C1 ZINC001665132953 1071719943 /nfs/dbraw/zinc/71/99/43/1071719943.db2.gz IFGCEFGNSGKDCJ-UHFFFAOYSA-N 1 2 388.515 -0.379 20 0 GBADLO Cn1ncnc1C1(O)CN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC001665195780 1071720654 /nfs/dbraw/zinc/72/06/54/1071720654.db2.gz SEUCBJBSGXCQQN-UHFFFAOYSA-N 1 2 399.455 -0.062 20 0 GBADLO CN(CCS(N)(=O)=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC001665200589 1071720712 /nfs/dbraw/zinc/72/07/12/1071720712.db2.gz CBZNQZHXLKIFJG-UHFFFAOYSA-N 1 2 383.474 -0.174 20 0 GBADLO NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001665276462 1071721895 /nfs/dbraw/zinc/72/18/95/1071721895.db2.gz PVHYDVBHDXRVFT-ZIAGYGMSSA-N 1 2 395.547 -0.382 20 0 GBADLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001665313449 1071722727 /nfs/dbraw/zinc/72/27/27/1071722727.db2.gz LMMNKXQSXRQLEK-SSLCOKDMSA-N 1 2 394.472 -0.682 20 0 GBADLO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001665313450 1071722470 /nfs/dbraw/zinc/72/24/70/1071722470.db2.gz LMMNKXQSXRQLEK-UFZZPABASA-N 1 2 394.472 -0.682 20 0 GBADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NC[C@H]1CCOC1 ZINC001665313667 1071722827 /nfs/dbraw/zinc/72/28/27/1071722827.db2.gz STBXYOGJTVIAQV-GRZALLJUSA-N 1 2 381.473 -0.761 20 0 GBADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NC[C@@H]1CCOC1 ZINC001665313668 1071722631 /nfs/dbraw/zinc/72/26/31/1071722631.db2.gz STBXYOGJTVIAQV-OWIUFQIYSA-N 1 2 381.473 -0.761 20 0 GBADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001665478037 1071725676 /nfs/dbraw/zinc/72/56/76/1071725676.db2.gz QKGLSHFZXLTYRC-AEFFLSMTSA-N 1 2 397.497 -0.264 20 0 GBADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001665478037 1071725672 /nfs/dbraw/zinc/72/56/72/1071725672.db2.gz QKGLSHFZXLTYRC-AEFFLSMTSA-N 1 2 397.497 -0.264 20 0 GBADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001665478038 1071725541 /nfs/dbraw/zinc/72/55/41/1071725541.db2.gz QKGLSHFZXLTYRC-FUHWJXTLSA-N 1 2 397.497 -0.264 20 0 GBADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001665478038 1071725538 /nfs/dbraw/zinc/72/55/38/1071725538.db2.gz QKGLSHFZXLTYRC-FUHWJXTLSA-N 1 2 397.497 -0.264 20 0 GBADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001665478039 1071725644 /nfs/dbraw/zinc/72/56/44/1071725644.db2.gz QKGLSHFZXLTYRC-SJLPKXTDSA-N 1 2 397.497 -0.264 20 0 GBADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001665478039 1071725639 /nfs/dbraw/zinc/72/56/39/1071725639.db2.gz QKGLSHFZXLTYRC-SJLPKXTDSA-N 1 2 397.497 -0.264 20 0 GBADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001665478040 1071725749 /nfs/dbraw/zinc/72/57/49/1071725749.db2.gz QKGLSHFZXLTYRC-WMZOPIPTSA-N 1 2 397.497 -0.264 20 0 GBADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001665478040 1071725742 /nfs/dbraw/zinc/72/57/42/1071725742.db2.gz QKGLSHFZXLTYRC-WMZOPIPTSA-N 1 2 397.497 -0.264 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC001665520869 1071726258 /nfs/dbraw/zinc/72/62/58/1071726258.db2.gz HZCKQKPUQAHLKJ-VIFPVBQESA-N 1 2 380.352 -0.202 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC001665520869 1071726256 /nfs/dbraw/zinc/72/62/56/1071726256.db2.gz HZCKQKPUQAHLKJ-VIFPVBQESA-N 1 2 380.352 -0.202 20 0 GBADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)C1 ZINC001665520909 1071726353 /nfs/dbraw/zinc/72/63/53/1071726353.db2.gz INTHOYAUXAHTGI-AAEUAGOBSA-N 1 2 387.462 -0.824 20 0 GBADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)C1 ZINC001665520909 1071726349 /nfs/dbraw/zinc/72/63/49/1071726349.db2.gz INTHOYAUXAHTGI-AAEUAGOBSA-N 1 2 387.462 -0.824 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)NC)C1 ZINC001665520910 1071726290 /nfs/dbraw/zinc/72/62/90/1071726290.db2.gz INTHOYAUXAHTGI-YPMHNXCESA-N 1 2 387.462 -0.824 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)NC)C1 ZINC001665520910 1071726287 /nfs/dbraw/zinc/72/62/87/1071726287.db2.gz INTHOYAUXAHTGI-YPMHNXCESA-N 1 2 387.462 -0.824 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2 ZINC001665521165 1071726473 /nfs/dbraw/zinc/72/64/73/1071726473.db2.gz MRDYVXKGJNYYOL-INIZCTEOSA-N 1 2 391.453 -0.093 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2 ZINC001665521165 1071726469 /nfs/dbraw/zinc/72/64/69/1071726469.db2.gz MRDYVXKGJNYYOL-INIZCTEOSA-N 1 2 391.453 -0.093 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cc(OC)ccc1C(=O)OC ZINC001665521520 1071726431 /nfs/dbraw/zinc/72/64/31/1071726431.db2.gz XTEFQRCHYRGOCP-ZDUSSCGKSA-N 1 2 396.425 -0.160 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cc(OC)ccc1C(=O)OC ZINC001665521520 1071726428 /nfs/dbraw/zinc/72/64/28/1071726428.db2.gz XTEFQRCHYRGOCP-ZDUSSCGKSA-N 1 2 396.425 -0.160 20 0 GBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCc3c[nH+]c4n3CCC4)cnc21 ZINC001665544559 1071727471 /nfs/dbraw/zinc/72/74/71/1071727471.db2.gz ODVWISLCNHBRKA-UHFFFAOYSA-N 1 2 376.398 -0.345 20 0 GBADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001665546618 1071727759 /nfs/dbraw/zinc/72/77/59/1071727759.db2.gz LTRUOKWFXPJRHR-UHFFFAOYSA-N 1 2 393.535 -0.122 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@H](NS(=O)(=O)N=S2(=O)CCCC2)CC1=O ZINC001665559708 1071727821 /nfs/dbraw/zinc/72/78/21/1071727821.db2.gz RZQCGJMHRUKPPF-CYBMUJFWSA-N 1 2 396.535 -0.738 20 0 GBADLO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)N=S2(=O)CCCC2)CC1=O ZINC001665559708 1071727817 /nfs/dbraw/zinc/72/78/17/1071727817.db2.gz RZQCGJMHRUKPPF-CYBMUJFWSA-N 1 2 396.535 -0.738 20 0 GBADLO COCC[N@@H+](C)CCN1C[C@@H](NS(=O)(=O)N=S2(=O)CCCC2)CC1=O ZINC001665559709 1071727659 /nfs/dbraw/zinc/72/76/59/1071727659.db2.gz RZQCGJMHRUKPPF-ZDUSSCGKSA-N 1 2 396.535 -0.738 20 0 GBADLO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)N=S2(=O)CCCC2)CC1=O ZINC001665559709 1071727654 /nfs/dbraw/zinc/72/76/54/1071727654.db2.gz RZQCGJMHRUKPPF-ZDUSSCGKSA-N 1 2 396.535 -0.738 20 0 GBADLO C[N@@H+](CCS(N)(=O)=O)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001665581218 1071729341 /nfs/dbraw/zinc/72/93/41/1071729341.db2.gz WPUGUWOYJQOBKW-UHFFFAOYSA-N 1 2 386.293 -0.183 20 0 GBADLO C[N@H+](CCS(N)(=O)=O)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001665581218 1071729337 /nfs/dbraw/zinc/72/93/37/1071729337.db2.gz WPUGUWOYJQOBKW-UHFFFAOYSA-N 1 2 386.293 -0.183 20 0 GBADLO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001665593063 1071729424 /nfs/dbraw/zinc/72/94/24/1071729424.db2.gz ICGBCNQXQKKTOG-UHFFFAOYSA-N 1 2 385.490 -0.095 20 0 GBADLO COC(=O)[C@@H](CCC1OCCO1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC001665614664 1071729915 /nfs/dbraw/zinc/72/99/15/1071729915.db2.gz FLYGNUZTIKDBTH-CYBMUJFWSA-N 1 2 380.463 -0.677 20 0 GBADLO COC(=O)[C@H](CCC1OCCO1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC001665614765 1071729874 /nfs/dbraw/zinc/72/98/74/1071729874.db2.gz FLYGNUZTIKDBTH-ZDUSSCGKSA-N 1 2 380.463 -0.677 20 0 GBADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[N@@H+](CC(=O)NC)CC2)C1 ZINC001665644102 1071730465 /nfs/dbraw/zinc/73/04/65/1071730465.db2.gz XPHYVGRJOAARNT-AWEZNQCLSA-N 1 2 390.506 -0.740 20 0 GBADLO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[N@H+](CC(=O)NC)CC2)C1 ZINC001665644102 1071730461 /nfs/dbraw/zinc/73/04/61/1071730461.db2.gz XPHYVGRJOAARNT-AWEZNQCLSA-N 1 2 390.506 -0.740 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[N@@H+](CC(=O)NC)CC2)C1 ZINC001665644198 1071730454 /nfs/dbraw/zinc/73/04/54/1071730454.db2.gz XPHYVGRJOAARNT-CQSZACIVSA-N 1 2 390.506 -0.740 20 0 GBADLO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[N@H+](CC(=O)NC)CC2)C1 ZINC001665644198 1071730450 /nfs/dbraw/zinc/73/04/50/1071730450.db2.gz XPHYVGRJOAARNT-CQSZACIVSA-N 1 2 390.506 -0.740 20 0 GBADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)OC)C2)C1 ZINC001665653289 1071730471 /nfs/dbraw/zinc/73/04/71/1071730471.db2.gz CBJPDLYMQXWYBQ-HIFRSBDPSA-N 1 2 378.491 -0.063 20 0 GBADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)c2cc(C(=O)OC)cn2C)C1 ZINC001665654072 1071730540 /nfs/dbraw/zinc/73/05/40/1071730540.db2.gz HSQUTEOKFVVIOY-UHFFFAOYSA-N 1 2 389.474 -0.221 20 0 GBADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC001665655098 1071731051 /nfs/dbraw/zinc/73/10/51/1071731051.db2.gz YJIUBZDFVFYPGV-AWEZNQCLSA-N 1 2 388.490 -0.188 20 0 GBADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC001665655099 1071730953 /nfs/dbraw/zinc/73/09/53/1071730953.db2.gz YJIUBZDFVFYPGV-CQSZACIVSA-N 1 2 388.490 -0.188 20 0 GBADLO C[C@H]1[C@@H](O)CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001665658259 1071730962 /nfs/dbraw/zinc/73/09/62/1071730962.db2.gz JJBXGTGTWHXGSY-GJZGRUSLSA-N 1 2 397.501 -0.302 20 0 GBADLO COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001665790261 1071732825 /nfs/dbraw/zinc/73/28/25/1071732825.db2.gz RHCZQXDROOJFMS-UHFFFAOYSA-N 1 2 399.473 -0.309 20 0 GBADLO CC(C)(C)NS(=O)(=O)C1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC001665802987 1071733860 /nfs/dbraw/zinc/73/38/60/1071733860.db2.gz RWYOOZACXKHXNJ-UHFFFAOYSA-N 1 2 397.563 -0.121 20 0 GBADLO CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CN2S(=O)(=O)CCn1cc[nH+]c1 ZINC001665876245 1071735536 /nfs/dbraw/zinc/73/55/36/1071735536.db2.gz FDZJLFAHUCHHSQ-UHFFFAOYSA-N 1 2 399.473 -0.366 20 0 GBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC001665947275 1071736740 /nfs/dbraw/zinc/73/67/40/1071736740.db2.gz PCJXUNJHGDLGMJ-JSGCOSHPSA-N 1 2 380.488 -0.926 20 0 GBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC001665947275 1071736738 /nfs/dbraw/zinc/73/67/38/1071736738.db2.gz PCJXUNJHGDLGMJ-JSGCOSHPSA-N 1 2 380.488 -0.926 20 0 GBADLO C[NH+](C)Cc1csc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)n1 ZINC001666198515 1071742207 /nfs/dbraw/zinc/74/22/07/1071742207.db2.gz AWDKOOLWZAPXAE-UHFFFAOYSA-N 1 2 397.548 -0.884 20 0 GBADLO Cc1nn(CCS(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(=O)o1 ZINC001666259358 1071743386 /nfs/dbraw/zinc/74/33/86/1071743386.db2.gz ZGVYIYSYNVTGAS-RYUDHWBXSA-N 1 2 376.479 -0.048 20 0 GBADLO Cc1nn(CCS(=O)(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)o1 ZINC001666259371 1071743618 /nfs/dbraw/zinc/74/36/18/1071743618.db2.gz ZGVYIYSYNVTGAS-TXEJJXNPSA-N 1 2 376.479 -0.048 20 0 GBADLO Cc1nn(CCS(=O)(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)o1 ZINC001666259371 1071743611 /nfs/dbraw/zinc/74/36/11/1071743611.db2.gz ZGVYIYSYNVTGAS-TXEJJXNPSA-N 1 2 376.479 -0.048 20 0 GBADLO Cc1nn(CCS(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(=O)o1 ZINC001666259375 1071743726 /nfs/dbraw/zinc/74/37/26/1071743726.db2.gz ZGVYIYSYNVTGAS-VXGBXAGGSA-N 1 2 376.479 -0.048 20 0 GBADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)c2cncc(C(=O)OC)c2)C1 ZINC001666276198 1071744055 /nfs/dbraw/zinc/74/40/55/1071744055.db2.gz FHSLZJTYSWKEOI-UHFFFAOYSA-N 1 2 387.458 -0.164 20 0 GBADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)c2cccnc2C(=O)OC)C1 ZINC001666277109 1071744185 /nfs/dbraw/zinc/74/41/85/1071744185.db2.gz ZBJXAAGYDMJNBG-UHFFFAOYSA-N 1 2 387.458 -0.164 20 0 GBADLO CS(=O)(=O)N1CC(CS(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC001666309655 1071744963 /nfs/dbraw/zinc/74/49/63/1071744963.db2.gz HGLQMAGNRDTIIN-UHFFFAOYSA-N 1 2 376.504 -0.427 20 0 GBADLO CCN(CC)C(=O)CN1CCCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001666353435 1071746005 /nfs/dbraw/zinc/74/60/05/1071746005.db2.gz JQVVYMKHZSWXGE-UHFFFAOYSA-N 1 2 375.539 -0.645 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(C(N)=O)oc2C)CC1 ZINC001666403083 1071746907 /nfs/dbraw/zinc/74/69/07/1071746907.db2.gz XEUSMUJDXFSZKZ-UHFFFAOYSA-N 1 2 386.474 -0.044 20 0 GBADLO O=C(c1ccc(CNS(=O)(=O)CCn2cc[nH+]c2)cc1)N1CCNC(=O)C1 ZINC001666502859 1071750082 /nfs/dbraw/zinc/75/00/82/1071750082.db2.gz SQIDVVVGILTALF-UHFFFAOYSA-N 1 2 391.453 -0.425 20 0 GBADLO Cn1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c(=O)[nH]c1=O ZINC001666515979 1071750334 /nfs/dbraw/zinc/75/03/34/1071750334.db2.gz NVJUTFIKFAHMDO-UHFFFAOYSA-N 1 2 394.453 -0.203 20 0 GBADLO NC(=O)C1=NO[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC001666554816 1071750810 /nfs/dbraw/zinc/75/08/10/1071750810.db2.gz RTRYCCDEHNAWRI-HNNXBMFYSA-N 1 2 375.429 -0.052 20 0 GBADLO NC(=O)C1=NO[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC001666554817 1071750966 /nfs/dbraw/zinc/75/09/66/1071750966.db2.gz RTRYCCDEHNAWRI-OAHLLOKOSA-N 1 2 375.429 -0.052 20 0 GBADLO Cc1cc2c(N3CC(NS(=O)(=O)CCC[NH+]4CCOCC4)C3)nccn2n1 ZINC001666767092 1071753797 /nfs/dbraw/zinc/75/37/97/1071753797.db2.gz QUJDRJKFJUVSJO-UHFFFAOYSA-N 1 2 394.501 -0.132 20 0 GBADLO CNC(=O)NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001666825993 1071754557 /nfs/dbraw/zinc/75/45/57/1071754557.db2.gz ZXUHXAAELSCUCV-AQRJEWBLSA-N 1 2 376.457 -0.210 20 0 GBADLO O=C(CCNS(=O)(=O)CCn1cc[nH+]c1)N1CCN(c2ccccn2)CC1 ZINC001666826611 1071754536 /nfs/dbraw/zinc/75/45/36/1071754536.db2.gz ZQPBWRZDNLSDHQ-UHFFFAOYSA-N 1 2 392.485 -0.064 20 0 GBADLO Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC[NH2+]1 ZINC001666846145 1071755472 /nfs/dbraw/zinc/75/54/72/1071755472.db2.gz CEAJXJZRQINQOI-AWEZNQCLSA-N 1 2 378.454 -0.272 20 0 GBADLO Cc1ccccc1[C@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC[NH2+]1 ZINC001666846146 1071755483 /nfs/dbraw/zinc/75/54/83/1071755483.db2.gz CEAJXJZRQINQOI-CQSZACIVSA-N 1 2 378.454 -0.272 20 0 GBADLO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001667041949 1071756370 /nfs/dbraw/zinc/75/63/70/1071756370.db2.gz PSWXMSCCLRHYOU-GFCCVEGCSA-N 1 2 376.504 -0.181 20 0 GBADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001667041950 1071756260 /nfs/dbraw/zinc/75/62/60/1071756260.db2.gz PSWXMSCCLRHYOU-LBPRGKRZSA-N 1 2 376.504 -0.181 20 0 GBADLO COC(=O)c1c(C)[nH]nc1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001667072113 1071756997 /nfs/dbraw/zinc/75/69/97/1071756997.db2.gz XZPJWNPRWDFQEE-UHFFFAOYSA-N 1 2 387.462 -0.664 20 0 GBADLO O=C(NCc1nnc2c(=O)[nH]ccn12)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001667434259 1071759300 /nfs/dbraw/zinc/75/93/00/1071759300.db2.gz JEFDZYDPOZSGHM-INIZCTEOSA-N 1 2 393.473 -0.575 20 0 GBADLO O=C(NCc1nnc2c(=O)[nH]ccn12)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001667434260 1071759423 /nfs/dbraw/zinc/75/94/23/1071759423.db2.gz JEFDZYDPOZSGHM-MRXNPFEDSA-N 1 2 393.473 -0.575 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC(C2CS(=O)(=O)C2)C1 ZINC001667450254 1071759234 /nfs/dbraw/zinc/75/92/34/1071759234.db2.gz AMRWNBZVNILGOB-UHFFFAOYSA-N 1 2 383.474 -0.276 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1C(=O)NCC12CCOCC2 ZINC001667450493 1071759387 /nfs/dbraw/zinc/75/93/87/1071759387.db2.gz GVRWJTSWZCSXHT-HNNXBMFYSA-N 1 2 392.460 -0.368 20 0 GBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001667450494 1071759164 /nfs/dbraw/zinc/75/91/64/1071759164.db2.gz GVRWJTSWZCSXHT-OAHLLOKOSA-N 1 2 392.460 -0.368 20 0 GBADLO C[C@]12CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@@]1(C)C(=O)NC2=O ZINC001667450623 1071759311 /nfs/dbraw/zinc/75/93/11/1071759311.db2.gz KRJSQKJKBUPQBM-HDICACEKSA-N 1 2 390.444 -0.268 20 0 GBADLO C[C@]12CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@]1(C)C(=O)NC2=O ZINC001667450624 1071759462 /nfs/dbraw/zinc/75/94/62/1071759462.db2.gz KRJSQKJKBUPQBM-QZTJIDSGSA-N 1 2 390.444 -0.268 20 0 GBADLO C[C@@]12CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C[C@@]1(C)C(=O)NC2=O ZINC001667450625 1071759501 /nfs/dbraw/zinc/75/95/01/1071759501.db2.gz KRJSQKJKBUPQBM-ROUUACIJSA-N 1 2 390.444 -0.268 20 0 GBADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001667522643 1071760095 /nfs/dbraw/zinc/76/00/95/1071760095.db2.gz JLSGXAZFNBQRAR-AWEZNQCLSA-N 1 2 385.490 -0.279 20 0 GBADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001667522644 1071760158 /nfs/dbraw/zinc/76/01/58/1071760158.db2.gz JLSGXAZFNBQRAR-CQSZACIVSA-N 1 2 385.490 -0.279 20 0 GBADLO C[C@H](NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)N(C)C ZINC001667600413 1071761088 /nfs/dbraw/zinc/76/10/88/1071761088.db2.gz KEOPSKQDGREKDX-QBYUYEEZSA-N 1 2 382.505 -0.215 20 0 GBADLO C[C@H](NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)N(C)C ZINC001667600413 1071761056 /nfs/dbraw/zinc/76/10/56/1071761056.db2.gz KEOPSKQDGREKDX-QBYUYEEZSA-N 1 2 382.505 -0.215 20 0 GBADLO C[C@@H](NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)N(C)C ZINC001667600414 1071760957 /nfs/dbraw/zinc/76/09/57/1071760957.db2.gz KEOPSKQDGREKDX-WBTNSWJXSA-N 1 2 382.505 -0.215 20 0 GBADLO C[C@@H](NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)N(C)C ZINC001667600414 1071760953 /nfs/dbraw/zinc/76/09/53/1071760953.db2.gz KEOPSKQDGREKDX-WBTNSWJXSA-N 1 2 382.505 -0.215 20 0 GBADLO C[C@@H](NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)N(C)C ZINC001667600570 1071760983 /nfs/dbraw/zinc/76/09/83/1071760983.db2.gz PQIUXTSMQITYNH-HLUFSKSISA-N 1 2 380.489 -0.607 20 0 GBADLO C[C@@H](NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)N(C)C ZINC001667600570 1071760975 /nfs/dbraw/zinc/76/09/75/1071760975.db2.gz PQIUXTSMQITYNH-HLUFSKSISA-N 1 2 380.489 -0.607 20 0 GBADLO C[C@H](NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)N(C)C ZINC001667600571 1071761230 /nfs/dbraw/zinc/76/12/30/1071761230.db2.gz PQIUXTSMQITYNH-UZVBGSJOSA-N 1 2 380.489 -0.607 20 0 GBADLO C[C@H](NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)N(C)C ZINC001667600571 1071761217 /nfs/dbraw/zinc/76/12/17/1071761217.db2.gz PQIUXTSMQITYNH-UZVBGSJOSA-N 1 2 380.489 -0.607 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCCNC1=O ZINC001667719659 1071761738 /nfs/dbraw/zinc/76/17/38/1071761738.db2.gz RUHBXRUWXKHMEH-HNNXBMFYSA-N 1 2 388.472 -0.054 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCCNC1=O ZINC001667719660 1071761664 /nfs/dbraw/zinc/76/16/64/1071761664.db2.gz RUHBXRUWXKHMEH-OAHLLOKOSA-N 1 2 388.472 -0.054 20 0 GBADLO CC(C)Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n1 ZINC001667865561 1071762657 /nfs/dbraw/zinc/76/26/57/1071762657.db2.gz WMFTVXICEGHTCE-AYMQEEERSA-N 1 2 382.461 -0.114 20 0 GBADLO CC(C)Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n1 ZINC001667865562 1071762632 /nfs/dbraw/zinc/76/26/32/1071762632.db2.gz WMFTVXICEGHTCE-QDEZUTFSSA-N 1 2 382.461 -0.114 20 0 GBADLO Cn1ccn2c(CCNC(=O)NCC[N@H+]3CCOC(C)(C)C3)nnc2c1=O ZINC001667880442 1071762442 /nfs/dbraw/zinc/76/24/42/1071762442.db2.gz HNUBQBBNNPCVAF-UHFFFAOYSA-N 1 2 377.449 -0.620 20 0 GBADLO Cn1ccn2c(CCNC(=O)NCC[N@@H+]3CCOC(C)(C)C3)nnc2c1=O ZINC001667880442 1071762433 /nfs/dbraw/zinc/76/24/33/1071762433.db2.gz HNUBQBBNNPCVAF-UHFFFAOYSA-N 1 2 377.449 -0.620 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)CCO1 ZINC001667880671 1071762675 /nfs/dbraw/zinc/76/26/75/1071762675.db2.gz KQXOYHIVHNLIMY-CYBMUJFWSA-N 1 2 378.495 -0.943 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)CCO1 ZINC001667880671 1071762670 /nfs/dbraw/zinc/76/26/70/1071762670.db2.gz KQXOYHIVHNLIMY-CYBMUJFWSA-N 1 2 378.495 -0.943 20 0 GBADLO CC1(C)C[N@@H+](CCNC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)CCO1 ZINC001667880674 1071762598 /nfs/dbraw/zinc/76/25/98/1071762598.db2.gz KQXOYHIVHNLIMY-ZDUSSCGKSA-N 1 2 378.495 -0.943 20 0 GBADLO CC1(C)C[N@H+](CCNC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)CCO1 ZINC001667880674 1071762595 /nfs/dbraw/zinc/76/25/95/1071762595.db2.gz KQXOYHIVHNLIMY-ZDUSSCGKSA-N 1 2 378.495 -0.943 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)n[nH]1 ZINC001668337175 1071766659 /nfs/dbraw/zinc/76/66/59/1071766659.db2.gz CCGCSRJVKIMIEZ-UHFFFAOYSA-N 1 2 388.446 -0.250 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCc3n[nH]c(=O)cc3C2)CC1 ZINC001668481900 1071769291 /nfs/dbraw/zinc/76/92/91/1071769291.db2.gz MZYISPHCCBSEHO-UHFFFAOYSA-N 1 2 383.474 -0.241 20 0 GBADLO CC(=O)NC[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC001668481991 1071769564 /nfs/dbraw/zinc/76/95/64/1071769564.db2.gz PEIOXLVGOPXVAU-HNNXBMFYSA-N 1 2 390.506 -0.958 20 0 GBADLO CC(=O)NC[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC001668481992 1071769086 /nfs/dbraw/zinc/76/90/86/1071769086.db2.gz PEIOXLVGOPXVAU-OAHLLOKOSA-N 1 2 390.506 -0.958 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC3(CNC(=O)C3)CC2)CC1 ZINC001668482642 1071769436 /nfs/dbraw/zinc/76/94/36/1071769436.db2.gz XIWYWZWMPQUPHU-UHFFFAOYSA-N 1 2 386.518 -0.193 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC1 ZINC001668488129 1071769242 /nfs/dbraw/zinc/76/92/42/1071769242.db2.gz FFIKCWFZDDDSHV-BETUJISGSA-N 1 2 393.531 -0.819 20 0 GBADLO CCS(=O)(=O)CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001668488312 1071769406 /nfs/dbraw/zinc/76/94/06/1071769406.db2.gz KRSRJAAWJWLRCY-UHFFFAOYSA-N 1 2 383.536 -0.381 20 0 GBADLO CC(C)(CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)CS(N)(=O)=O ZINC001668488439 1071769074 /nfs/dbraw/zinc/76/90/74/1071769074.db2.gz OEADLZBNMJFUSA-UHFFFAOYSA-N 1 2 398.551 -0.891 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC[C@@H]2CCCS2(=O)=O)CC1 ZINC001668488525 1071769161 /nfs/dbraw/zinc/76/91/61/1071769161.db2.gz QHSHQABLXBWTPX-AWEZNQCLSA-N 1 2 395.547 -0.238 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC[C@H]2CCCS2(=O)=O)CC1 ZINC001668488526 1071769277 /nfs/dbraw/zinc/76/92/77/1071769277.db2.gz QHSHQABLXBWTPX-CQSZACIVSA-N 1 2 395.547 -0.238 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CN(c3ccncn3)C2)CC1 ZINC001668488531 1071769144 /nfs/dbraw/zinc/76/91/44/1071769144.db2.gz QIQGNQKBFVOISR-UHFFFAOYSA-N 1 2 382.490 -0.527 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC([C@H](F)C(N)=O)CC2)CC1 ZINC001668488701 1071769540 /nfs/dbraw/zinc/76/95/40/1071769540.db2.gz WGBHECQRSVGNPZ-AWEZNQCLSA-N 1 2 392.497 -0.260 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC([C@@H](F)C(N)=O)CC2)CC1 ZINC001668488702 1071769064 /nfs/dbraw/zinc/76/90/64/1071769064.db2.gz WGBHECQRSVGNPZ-CQSZACIVSA-N 1 2 392.497 -0.260 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC2(S(N)(=O)=O)CCC2)CC1 ZINC001668488711 1071769233 /nfs/dbraw/zinc/76/92/33/1071769233.db2.gz WORGIYNINUSOAD-UHFFFAOYSA-N 1 2 396.535 -0.994 20 0 GBADLO Cc1nc(N2CCN(S(=O)(=O)CCCCS(N)(=O)=O)CC2)cc[nH+]1 ZINC001668516415 1071770313 /nfs/dbraw/zinc/77/03/13/1071770313.db2.gz PQNKZLSBTLRSBO-UHFFFAOYSA-N 1 2 377.492 -0.694 20 0 GBADLO O=C(Cn1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1)N1CCOCC1 ZINC001668699894 1071771969 /nfs/dbraw/zinc/77/19/69/1071771969.db2.gz OPDJHBBPRLDCLU-GASCZTMLSA-N 1 2 392.460 -0.273 20 0 GBADLO O=C(Cn1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1)N1CCOCC1 ZINC001668699894 1071771967 /nfs/dbraw/zinc/77/19/67/1071771967.db2.gz OPDJHBBPRLDCLU-GASCZTMLSA-N 1 2 392.460 -0.273 20 0 GBADLO NS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001668842648 1071773261 /nfs/dbraw/zinc/77/32/61/1071773261.db2.gz XJAZTGXHVGHIDE-CQSZACIVSA-N 1 2 383.536 -0.571 20 0 GBADLO COC(=O)[C@]1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCOC1 ZINC001668874123 1071773068 /nfs/dbraw/zinc/77/30/68/1071773068.db2.gz CHWMAEGWEZGCRV-KRWDZBQOSA-N 1 2 381.433 -0.084 20 0 GBADLO COC(=O)[C@@]1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCOC1 ZINC001668874124 1071773420 /nfs/dbraw/zinc/77/34/20/1071773420.db2.gz CHWMAEGWEZGCRV-QGZVFWFLSA-N 1 2 381.433 -0.084 20 0 GBADLO C[C@H](CNC(=O)NCc1n[nH]c(CS(C)(=O)=O)n1)C[NH+]1CCN(C)CC1 ZINC001668944379 1071774578 /nfs/dbraw/zinc/77/45/78/1071774578.db2.gz SOADHHGYKCXPIL-GFCCVEGCSA-N 1 2 387.510 -0.968 20 0 GBADLO C[C@H](CNC(=O)NCc1nc(CS(C)(=O)=O)n[nH]1)C[NH+]1CCN(C)CC1 ZINC001668944379 1071774573 /nfs/dbraw/zinc/77/45/73/1071774573.db2.gz SOADHHGYKCXPIL-GFCCVEGCSA-N 1 2 387.510 -0.968 20 0 GBADLO C[C@@H](CNC(=O)NCc1n[nH]c(CS(C)(=O)=O)n1)C[NH+]1CCN(C)CC1 ZINC001668944383 1071774482 /nfs/dbraw/zinc/77/44/82/1071774482.db2.gz SOADHHGYKCXPIL-LBPRGKRZSA-N 1 2 387.510 -0.968 20 0 GBADLO C[C@@H](CNC(=O)NCc1nc(CS(C)(=O)=O)n[nH]1)C[NH+]1CCN(C)CC1 ZINC001668944383 1071774477 /nfs/dbraw/zinc/77/44/77/1071774477.db2.gz SOADHHGYKCXPIL-LBPRGKRZSA-N 1 2 387.510 -0.968 20 0 GBADLO NS(=O)(=O)C1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001669330784 1071780053 /nfs/dbraw/zinc/78/00/53/1071780053.db2.gz CBTXNTUYMQOHNG-HNNXBMFYSA-N 1 2 382.486 -0.388 20 0 GBADLO NS(=O)(=O)C1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC001669330787 1071780019 /nfs/dbraw/zinc/78/00/19/1071780019.db2.gz CBTXNTUYMQOHNG-OAHLLOKOSA-N 1 2 382.486 -0.388 20 0 GBADLO CN(CCS(N)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001669334174 1071779960 /nfs/dbraw/zinc/77/99/60/1071779960.db2.gz YVLHLEURMJCCRX-INIZCTEOSA-N 1 2 384.502 -0.140 20 0 GBADLO CN(CCS(N)(=O)=O)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001669334175 1071779886 /nfs/dbraw/zinc/77/98/86/1071779886.db2.gz YVLHLEURMJCCRX-MRXNPFEDSA-N 1 2 384.502 -0.140 20 0 GBADLO CC(C)(CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)CS(N)(=O)=O ZINC001669427585 1071781572 /nfs/dbraw/zinc/78/15/72/1071781572.db2.gz ILCNDZCEBRNSOI-UHFFFAOYSA-N 1 2 388.494 -0.349 20 0 GBADLO NS(=O)(=O)C1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC1 ZINC001669428067 1071781682 /nfs/dbraw/zinc/78/16/82/1071781682.db2.gz RWXBVHOOJGGWHV-UHFFFAOYSA-N 1 2 386.478 -0.452 20 0 GBADLO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC001669787295 1071786447 /nfs/dbraw/zinc/78/64/47/1071786447.db2.gz UDXIEBPNGIPOMB-LLVKDONJSA-N 1 2 388.446 -0.380 20 0 GBADLO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC001669787295 1071786444 /nfs/dbraw/zinc/78/64/44/1071786444.db2.gz UDXIEBPNGIPOMB-LLVKDONJSA-N 1 2 388.446 -0.380 20 0 GBADLO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC001669787296 1071786411 /nfs/dbraw/zinc/78/64/11/1071786411.db2.gz UDXIEBPNGIPOMB-NSHDSACASA-N 1 2 388.446 -0.380 20 0 GBADLO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC001669787296 1071786406 /nfs/dbraw/zinc/78/64/06/1071786406.db2.gz UDXIEBPNGIPOMB-NSHDSACASA-N 1 2 388.446 -0.380 20 0 GBADLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)c3ccc4c(c3)nnn4C)CC2)C1=O ZINC001669996520 1071787519 /nfs/dbraw/zinc/78/75/19/1071787519.db2.gz DGWDVWHFDVJBGJ-INIZCTEOSA-N 1 2 392.485 -0.058 20 0 GBADLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3ccc4c(c3)nnn4C)CC2)C1=O ZINC001669996521 1071787608 /nfs/dbraw/zinc/78/76/08/1071787608.db2.gz DGWDVWHFDVJBGJ-MRXNPFEDSA-N 1 2 392.485 -0.058 20 0 GBADLO COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC001669996715 1071788176 /nfs/dbraw/zinc/78/81/76/1071788176.db2.gz MBSIONNWEPIWAP-SNPRPXQTSA-N 1 2 387.502 -0.057 20 0 GBADLO COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1 ZINC001669996716 1071788551 /nfs/dbraw/zinc/78/85/51/1071788551.db2.gz MBSIONNWEPIWAP-VHDGCEQUSA-N 1 2 387.502 -0.057 20 0 GBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)CCN2CCOC2=O)CC1 ZINC001670065893 1071788200 /nfs/dbraw/zinc/78/82/00/1071788200.db2.gz QQLGLMXSAVYTPG-UHFFFAOYSA-N 1 2 390.506 -0.309 20 0 GBADLO CN1CCN(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC001670647809 1072459070 /nfs/dbraw/zinc/45/90/70/1072459070.db2.gz OACMLWDMDCMPCU-GOSISDBHSA-N 1 2 381.546 -0.116 20 0 GBADLO CN1CCN(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC001670647809 1072459063 /nfs/dbraw/zinc/45/90/63/1072459063.db2.gz OACMLWDMDCMPCU-GOSISDBHSA-N 1 2 381.546 -0.116 20 0 GBADLO CN1CCN(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC001670647810 1072459149 /nfs/dbraw/zinc/45/91/49/1072459149.db2.gz OACMLWDMDCMPCU-SFHVURJKSA-N 1 2 381.546 -0.116 20 0 GBADLO CN1CCN(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC001670647810 1072459143 /nfs/dbraw/zinc/45/91/43/1072459143.db2.gz OACMLWDMDCMPCU-SFHVURJKSA-N 1 2 381.546 -0.116 20 0 GBADLO Cn1cc(S(=O)(=O)NCCn2c[nH+]cc2-c2ccccc2)c(=O)n(C)c1=O ZINC001670669321 1072464129 /nfs/dbraw/zinc/46/41/29/1072464129.db2.gz CCXMMAQZVZSIGE-UHFFFAOYSA-N 1 2 389.437 -0.074 20 0 GBADLO COC(=O)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001671150692 1070937469 /nfs/dbraw/zinc/93/74/69/1070937469.db2.gz OZGVSZPDKYNVKJ-UHFFFAOYSA-N 1 2 379.479 -0.315 20 0 GBADLO COC(=O)c1cc(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n[nH]1 ZINC001671187645 1071207354 /nfs/dbraw/zinc/20/73/54/1071207354.db2.gz SQGKLTHVKQIJKV-UHFFFAOYSA-N 1 2 399.473 -0.309 20 0 GBADLO CC(C)(C)n1cc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c(=O)[nH]c1=O ZINC001671421511 1071793026 /nfs/dbraw/zinc/79/30/26/1071793026.db2.gz DMDMMLISVSOTQQ-UHFFFAOYSA-N 1 2 388.490 -0.154 20 0 GBADLO CNC(=O)c1ccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)nn1 ZINC001671424615 1071792938 /nfs/dbraw/zinc/79/29/38/1071792938.db2.gz AUZZNPLCVVMQLV-KRWDZBQOSA-N 1 2 378.433 -0.427 20 0 GBADLO CNC(=O)c1ccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)nn1 ZINC001671424615 1071792935 /nfs/dbraw/zinc/79/29/35/1071792935.db2.gz AUZZNPLCVVMQLV-KRWDZBQOSA-N 1 2 378.433 -0.427 20 0 GBADLO CNC(=O)c1ccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)nn1 ZINC001671424616 1071792876 /nfs/dbraw/zinc/79/28/76/1071792876.db2.gz AUZZNPLCVVMQLV-QGZVFWFLSA-N 1 2 378.433 -0.427 20 0 GBADLO CNC(=O)c1ccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)nn1 ZINC001671424616 1071792874 /nfs/dbraw/zinc/79/28/74/1071792874.db2.gz AUZZNPLCVVMQLV-QGZVFWFLSA-N 1 2 378.433 -0.427 20 0 GBADLO Cc1cc(=O)[nH]c(N2CC[C@H](NS(=O)(=O)CCC[NH+]3CCOCC3)C2)n1 ZINC001671505210 1071793903 /nfs/dbraw/zinc/79/39/03/1071793903.db2.gz NFFYPKDARLJKBV-AWEZNQCLSA-N 1 2 385.490 -0.289 20 0 GBADLO Cc1cc(=O)[nH]c(N2CC[C@@H](NS(=O)(=O)CCC[NH+]3CCOCC3)C2)n1 ZINC001671505211 1071793617 /nfs/dbraw/zinc/79/36/17/1071793617.db2.gz NFFYPKDARLJKBV-CQSZACIVSA-N 1 2 385.490 -0.289 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC001671532240 1071794132 /nfs/dbraw/zinc/79/41/32/1071794132.db2.gz DVIPFBFULMBUFX-NSHDSACASA-N 1 2 395.466 -0.041 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC001671532240 1071794125 /nfs/dbraw/zinc/79/41/25/1071794125.db2.gz DVIPFBFULMBUFX-NSHDSACASA-N 1 2 395.466 -0.041 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC001671532720 1071794069 /nfs/dbraw/zinc/79/40/69/1071794069.db2.gz LHEOORGLXGJWPC-ZDUSSCGKSA-N 1 2 384.389 -0.029 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC001671532720 1071794067 /nfs/dbraw/zinc/79/40/67/1071794067.db2.gz LHEOORGLXGJWPC-ZDUSSCGKSA-N 1 2 384.389 -0.029 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC001671533067 1071794240 /nfs/dbraw/zinc/79/42/40/1071794240.db2.gz QSZPKHKMSKFLIB-HNNXBMFYSA-N 1 2 379.442 -0.319 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC001671533067 1071794237 /nfs/dbraw/zinc/79/42/37/1071794237.db2.gz QSZPKHKMSKFLIB-HNNXBMFYSA-N 1 2 379.442 -0.319 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cccc(CC(=O)OC)c1 ZINC001671533092 1071793883 /nfs/dbraw/zinc/79/38/83/1071793883.db2.gz RHUALSGNAMUFFH-AWEZNQCLSA-N 1 2 380.426 -0.239 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cccc(CC(=O)OC)c1 ZINC001671533092 1071793872 /nfs/dbraw/zinc/79/38/72/1071793872.db2.gz RHUALSGNAMUFFH-AWEZNQCLSA-N 1 2 380.426 -0.239 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC001671533195 1071794030 /nfs/dbraw/zinc/79/40/30/1071794030.db2.gz VDHLDWFKNYSATH-LBPRGKRZSA-N 1 2 384.389 -0.029 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC001671533195 1071794028 /nfs/dbraw/zinc/79/40/28/1071794028.db2.gz VDHLDWFKNYSATH-LBPRGKRZSA-N 1 2 384.389 -0.029 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001671533319 1071794113 /nfs/dbraw/zinc/79/41/13/1071794113.db2.gz XCCMMMIZIUQYMN-AWEZNQCLSA-N 1 2 398.466 -0.526 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC001671533319 1071794111 /nfs/dbraw/zinc/79/41/11/1071794111.db2.gz XCCMMMIZIUQYMN-AWEZNQCLSA-N 1 2 398.466 -0.526 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC001671533347 1071793816 /nfs/dbraw/zinc/79/38/16/1071793816.db2.gz XGCTUFFCFIKEQX-ZDUSSCGKSA-N 1 2 377.430 -0.365 20 0 GBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC001671533347 1071793805 /nfs/dbraw/zinc/79/38/05/1071793805.db2.gz XGCTUFFCFIKEQX-ZDUSSCGKSA-N 1 2 377.430 -0.365 20 0 GBADLO CC(C)NS(=O)(=O)NCCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001671611185 1071795710 /nfs/dbraw/zinc/79/57/10/1071795710.db2.gz FWDLSKKWHINRTP-UHFFFAOYSA-N 1 2 378.524 -0.164 20 0 GBADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001671659688 1071796480 /nfs/dbraw/zinc/79/64/80/1071796480.db2.gz NDAOQMSKRXAFMZ-FHKFTOANSA-N 1 2 382.461 -0.536 20 0 GBADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001671659688 1071796475 /nfs/dbraw/zinc/79/64/75/1071796475.db2.gz NDAOQMSKRXAFMZ-FHKFTOANSA-N 1 2 382.461 -0.536 20 0 GBADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001671659689 1071796578 /nfs/dbraw/zinc/79/65/78/1071796578.db2.gz NDAOQMSKRXAFMZ-OVAAFMSASA-N 1 2 382.461 -0.536 20 0 GBADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001671659689 1071796572 /nfs/dbraw/zinc/79/65/72/1071796572.db2.gz NDAOQMSKRXAFMZ-OVAAFMSASA-N 1 2 382.461 -0.536 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N2CCC[N@@H+](CC(=O)NC)CC2)CC1 ZINC001671676065 1071797000 /nfs/dbraw/zinc/79/70/00/1071797000.db2.gz UHMGNGFJPTYYBG-UHFFFAOYSA-N 1 2 390.506 -0.740 20 0 GBADLO CCOC(=O)C1CCN(S(=O)(=O)N2CCC[N@H+](CC(=O)NC)CC2)CC1 ZINC001671676065 1071796994 /nfs/dbraw/zinc/79/69/94/1071796994.db2.gz UHMGNGFJPTYYBG-UHFFFAOYSA-N 1 2 390.506 -0.740 20 0 GBADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)c2ccc(C(=O)OC)nc2)C1 ZINC001671680249 1071797437 /nfs/dbraw/zinc/79/74/37/1071797437.db2.gz CGOZGAMBLXOFRW-UHFFFAOYSA-N 1 2 387.458 -0.164 20 0 GBADLO COCC[NH+](CCOC)C1CN(S(=O)(=O)c2cnc3c(cnn3C)c2)C1 ZINC001671680699 1071797011 /nfs/dbraw/zinc/79/70/11/1071797011.db2.gz MPFDURJVTGWEOD-UHFFFAOYSA-N 1 2 383.474 -0.064 20 0 GBADLO CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@@H+](C)CC1 ZINC001671780956 1071798635 /nfs/dbraw/zinc/79/86/35/1071798635.db2.gz CRTMYRFDZSKOIE-UHFFFAOYSA-N 1 2 376.504 -0.798 20 0 GBADLO CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[N@H+](C)CC1 ZINC001671780956 1071798631 /nfs/dbraw/zinc/79/86/31/1071798631.db2.gz CRTMYRFDZSKOIE-UHFFFAOYSA-N 1 2 376.504 -0.798 20 0 GBADLO CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC[N@@H+](C)CC1 ZINC001671781553 1071798386 /nfs/dbraw/zinc/79/83/86/1071798386.db2.gz ZCJGZTAAMJDVLQ-UHFFFAOYSA-N 1 2 381.458 -0.091 20 0 GBADLO CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC[N@H+](C)CC1 ZINC001671781553 1071798372 /nfs/dbraw/zinc/79/83/72/1071798372.db2.gz ZCJGZTAAMJDVLQ-UHFFFAOYSA-N 1 2 381.458 -0.091 20 0 GBADLO CNS(=O)(=O)CCNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001671782550 1071798713 /nfs/dbraw/zinc/79/87/13/1071798713.db2.gz RJKKJPUHBZINIW-UHFFFAOYSA-N 1 2 378.495 -0.359 20 0 GBADLO COc1cc[nH+]c(CN2CC(O)(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1 ZINC001672099752 1071805691 /nfs/dbraw/zinc/80/56/91/1071805691.db2.gz HFYGIJGYHFETGH-RRQGHBQHSA-N 1 2 377.441 -0.195 20 0 GBADLO O=C(NCC1(O)C[NH+](C[C@@H](O)COCc2ccco2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001672099795 1071805201 /nfs/dbraw/zinc/80/52/01/1071805201.db2.gz IHIKTJQQLZBWIR-YGTFVGLLSA-N 1 2 392.452 -0.257 20 0 GBADLO O=C(NCC1(O)C[NH+](C[C@H](O)COCc2ccco2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001672099796 1071805647 /nfs/dbraw/zinc/80/56/47/1071805647.db2.gz IHIKTJQQLZBWIR-ZIVXASGVSA-N 1 2 392.452 -0.257 20 0 GBADLO O=C(NCC1(O)C[NH+](C[C@H](O)COCc2ccco2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001672120498 1071806015 /nfs/dbraw/zinc/80/60/15/1071806015.db2.gz HJHFZMNSTZNLSM-ABFRBSLYSA-N 1 2 380.441 -0.113 20 0 GBADLO O=C(NCC1(O)C[NH+](C[C@@H](O)COCc2ccco2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001672120499 1071806152 /nfs/dbraw/zinc/80/61/52/1071806152.db2.gz HJHFZMNSTZNLSM-SRABZTEZSA-N 1 2 380.441 -0.113 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)CC1 ZINC001672162448 1071806809 /nfs/dbraw/zinc/80/68/09/1071806809.db2.gz MWVMYZSCLKZNJH-UHFFFAOYSA-N 1 2 395.464 -0.148 20 0 GBADLO CC1(C)NC(=O)N(CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1=O ZINC001672187418 1071806948 /nfs/dbraw/zinc/80/69/48/1071806948.db2.gz ZTSSDWKGUKNHDF-UHFFFAOYSA-N 1 2 376.479 -0.651 20 0 GBADLO CCOC1CC(CNC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)([NH+]2CCOCC2)C1 ZINC001672302233 1071808855 /nfs/dbraw/zinc/80/88/55/1071808855.db2.gz PHKZLYDJPOMCLO-MBIJGJCISA-N 1 2 380.445 -0.830 20 0 GBADLO CCOCCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001672490844 1071810515 /nfs/dbraw/zinc/81/05/15/1071810515.db2.gz ANZIFAUONZFVPU-PDEVXQQTSA-N 1 2 395.500 -0.494 20 0 GBADLO CCOCCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001672490844 1071810502 /nfs/dbraw/zinc/81/05/02/1071810502.db2.gz ANZIFAUONZFVPU-PDEVXQQTSA-N 1 2 395.500 -0.494 20 0 GBADLO CCOCCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001672490845 1071810283 /nfs/dbraw/zinc/81/02/83/1071810283.db2.gz ANZIFAUONZFVPU-ZMSPIWPASA-N 1 2 395.500 -0.494 20 0 GBADLO CCOCCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001672490845 1071810278 /nfs/dbraw/zinc/81/02/78/1071810278.db2.gz ANZIFAUONZFVPU-ZMSPIWPASA-N 1 2 395.500 -0.494 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC001672770687 1071812974 /nfs/dbraw/zinc/81/29/74/1071812974.db2.gz RAASHIXQJCXLLX-HLLBOEOZSA-N 1 2 381.477 -0.025 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC001672770689 1071813113 /nfs/dbraw/zinc/81/31/13/1071813113.db2.gz RAASHIXQJCXLLX-VYDXJSESSA-N 1 2 381.477 -0.025 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC001672770690 1071813053 /nfs/dbraw/zinc/81/30/53/1071813053.db2.gz RAASHIXQJCXLLX-YQQAZPJKSA-N 1 2 381.477 -0.025 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1 ZINC001672770692 1071812937 /nfs/dbraw/zinc/81/29/37/1071812937.db2.gz RAASHIXQJCXLLX-ZOBUZTSGSA-N 1 2 381.477 -0.025 20 0 GBADLO CNC(=O)C[C@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001672799103 1071813460 /nfs/dbraw/zinc/81/34/60/1071813460.db2.gz YKNKUBRXLZRRDN-AWEZNQCLSA-N 1 2 391.476 -0.331 20 0 GBADLO CNC(=O)C[C@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001672799103 1071813454 /nfs/dbraw/zinc/81/34/54/1071813454.db2.gz YKNKUBRXLZRRDN-AWEZNQCLSA-N 1 2 391.476 -0.331 20 0 GBADLO CNC(=O)C[C@@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001672799104 1071813435 /nfs/dbraw/zinc/81/34/35/1071813435.db2.gz YKNKUBRXLZRRDN-CQSZACIVSA-N 1 2 391.476 -0.331 20 0 GBADLO CNC(=O)C[C@@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001672799104 1071813426 /nfs/dbraw/zinc/81/34/26/1071813426.db2.gz YKNKUBRXLZRRDN-CQSZACIVSA-N 1 2 391.476 -0.331 20 0 GBADLO CCOC1CC(CNC(=O)Nc2cn(C)nc2C(N)=O)([NH+]2CCOCC2)C1 ZINC001672832940 1071813101 /nfs/dbraw/zinc/81/31/01/1071813101.db2.gz XUNQDKIGBNCSMU-UHFFFAOYSA-N 1 2 380.449 -0.090 20 0 GBADLO COC1CC[NH+](CCNC(=O)NCCS(=O)(=O)C2CCOCC2)CC1 ZINC001672893045 1071814008 /nfs/dbraw/zinc/81/40/08/1071814008.db2.gz UEUQDDOOSGQVQC-UHFFFAOYSA-N 1 2 377.507 -0.010 20 0 GBADLO COCCOC1(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCOCC1 ZINC001672903582 1071813871 /nfs/dbraw/zinc/81/38/71/1071813871.db2.gz UKEHTAUDDQXCDS-INIZCTEOSA-N 1 2 389.493 -0.467 20 0 GBADLO COCCOC1(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCOCC1 ZINC001672903583 1071813912 /nfs/dbraw/zinc/81/39/12/1071813912.db2.gz UKEHTAUDDQXCDS-MRXNPFEDSA-N 1 2 389.493 -0.467 20 0 GBADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]([NH+]2CCN(CCOCCO)CC2)C1 ZINC001673352781 1071817458 /nfs/dbraw/zinc/81/74/58/1071817458.db2.gz SMFLPKOGYIPGQN-QKDSSNGWSA-N 1 2 379.501 -0.363 20 0 GBADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]([NH+]2CCN(CCOCCO)CC2)C1 ZINC001673352782 1071817516 /nfs/dbraw/zinc/81/75/16/1071817516.db2.gz SMFLPKOGYIPGQN-WXJALIKYSA-N 1 2 379.501 -0.363 20 0 GBADLO NC(=O)c1cn(CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nn1 ZINC001673572704 1071818561 /nfs/dbraw/zinc/81/85/61/1071818561.db2.gz IDMPCRLKEPZREI-CQSZACIVSA-N 1 2 379.465 -0.337 20 0 GBADLO Cn1nnc(C[NH2+]CC2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCOCC2)n1 ZINC001673736391 1071819669 /nfs/dbraw/zinc/81/96/69/1071819669.db2.gz PGNCOAIIZRIXTI-KCQAQPDRSA-N 1 2 380.449 -0.983 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ncc(C(N)=O)s2)CC1 ZINC001673781136 1071820303 /nfs/dbraw/zinc/82/03/03/1071820303.db2.gz XPBMRCJSRYXPLL-UHFFFAOYSA-N 1 2 375.476 -0.128 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCCS(C)(=O)=O ZINC001673807183 1071820529 /nfs/dbraw/zinc/82/05/29/1071820529.db2.gz QIWOECLPRBVSPJ-INIZCTEOSA-N 1 2 377.507 -0.274 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCCS(C)(=O)=O ZINC001673807183 1071820521 /nfs/dbraw/zinc/82/05/21/1071820521.db2.gz QIWOECLPRBVSPJ-INIZCTEOSA-N 1 2 377.507 -0.274 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCCCS(C)(=O)=O ZINC001673807184 1071820229 /nfs/dbraw/zinc/82/02/29/1071820229.db2.gz QIWOECLPRBVSPJ-MRXNPFEDSA-N 1 2 377.507 -0.274 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCCCS(C)(=O)=O ZINC001673807184 1071820224 /nfs/dbraw/zinc/82/02/24/1071820224.db2.gz QIWOECLPRBVSPJ-MRXNPFEDSA-N 1 2 377.507 -0.274 20 0 GBADLO O=C(NCc1nnc2n1CCNC2=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001673910246 1071821584 /nfs/dbraw/zinc/82/15/84/1071821584.db2.gz RURUJIAMCBQGCT-HNNXBMFYSA-N 1 2 399.455 -0.278 20 0 GBADLO O=C(NCc1nnc2n1CCNC2=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001673910246 1071821578 /nfs/dbraw/zinc/82/15/78/1071821578.db2.gz RURUJIAMCBQGCT-HNNXBMFYSA-N 1 2 399.455 -0.278 20 0 GBADLO O=C(NCc1nnc2n1CCNC2=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001673910251 1071821275 /nfs/dbraw/zinc/82/12/75/1071821275.db2.gz RURUJIAMCBQGCT-OAHLLOKOSA-N 1 2 399.455 -0.278 20 0 GBADLO O=C(NCc1nnc2n1CCNC2=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001673910251 1071821262 /nfs/dbraw/zinc/82/12/62/1071821262.db2.gz RURUJIAMCBQGCT-OAHLLOKOSA-N 1 2 399.455 -0.278 20 0 GBADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001673946477 1071821521 /nfs/dbraw/zinc/82/15/21/1071821521.db2.gz RHUZJEWBWDGQFW-INIZCTEOSA-N 1 2 390.469 -0.025 20 0 GBADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001673946478 1071821402 /nfs/dbraw/zinc/82/14/02/1071821402.db2.gz RHUZJEWBWDGQFW-MRXNPFEDSA-N 1 2 390.469 -0.025 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC[C@@H]1O ZINC001674099137 1071822849 /nfs/dbraw/zinc/82/28/49/1071822849.db2.gz IOZFKQGQOPRUKL-GJZGRUSLSA-N 1 2 397.501 -0.254 20 0 GBADLO COCC(COC)[NH+]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)nn2)CC1 ZINC001674105535 1071823327 /nfs/dbraw/zinc/82/33/27/1071823327.db2.gz MYQOCQGZKVWODE-UHFFFAOYSA-N 1 2 387.462 -0.309 20 0 GBADLO COC(=O)c1cc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)nn1C ZINC001674234878 1071823983 /nfs/dbraw/zinc/82/39/83/1071823983.db2.gz VVKYCYRHWSBFIK-KRWDZBQOSA-N 1 2 381.433 -0.056 20 0 GBADLO COC(=O)c1cc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)nn1C ZINC001674234878 1071823977 /nfs/dbraw/zinc/82/39/77/1071823977.db2.gz VVKYCYRHWSBFIK-KRWDZBQOSA-N 1 2 381.433 -0.056 20 0 GBADLO COC(=O)c1cc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)nn1C ZINC001674234879 1071823888 /nfs/dbraw/zinc/82/38/88/1071823888.db2.gz VVKYCYRHWSBFIK-QGZVFWFLSA-N 1 2 381.433 -0.056 20 0 GBADLO COC(=O)c1cc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)nn1C ZINC001674234879 1071823885 /nfs/dbraw/zinc/82/38/85/1071823885.db2.gz VVKYCYRHWSBFIK-QGZVFWFLSA-N 1 2 381.433 -0.056 20 0 GBADLO CN(CCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)S(C)(=O)=O ZINC001674359259 1071826485 /nfs/dbraw/zinc/82/64/85/1071826485.db2.gz NSFXBHVOKIKQEB-INIZCTEOSA-N 1 2 392.522 -0.817 20 0 GBADLO CN(CCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)S(C)(=O)=O ZINC001674359259 1071826479 /nfs/dbraw/zinc/82/64/79/1071826479.db2.gz NSFXBHVOKIKQEB-INIZCTEOSA-N 1 2 392.522 -0.817 20 0 GBADLO CN(CCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)S(C)(=O)=O ZINC001674359266 1071824819 /nfs/dbraw/zinc/82/48/19/1071824819.db2.gz NSFXBHVOKIKQEB-MRXNPFEDSA-N 1 2 392.522 -0.817 20 0 GBADLO CN(CCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)S(C)(=O)=O ZINC001674359266 1071824812 /nfs/dbraw/zinc/82/48/12/1071824812.db2.gz NSFXBHVOKIKQEB-MRXNPFEDSA-N 1 2 392.522 -0.817 20 0 GBADLO COCCN(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC001674396204 1071826042 /nfs/dbraw/zinc/82/60/42/1071826042.db2.gz YFTRLSFXCIQGMG-KBPBESRZSA-N 1 2 390.506 -0.829 20 0 GBADLO COCCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC001674396204 1071826035 /nfs/dbraw/zinc/82/60/35/1071826035.db2.gz YFTRLSFXCIQGMG-KBPBESRZSA-N 1 2 390.506 -0.829 20 0 GBADLO COCCN(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001674396205 1071826201 /nfs/dbraw/zinc/82/62/01/1071826201.db2.gz YFTRLSFXCIQGMG-KGLIPLIRSA-N 1 2 390.506 -0.829 20 0 GBADLO COCCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001674396205 1071826189 /nfs/dbraw/zinc/82/61/89/1071826189.db2.gz YFTRLSFXCIQGMG-KGLIPLIRSA-N 1 2 390.506 -0.829 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC001674513407 1071826945 /nfs/dbraw/zinc/82/69/45/1071826945.db2.gz RLSRZFGXISQBDO-GFCCVEGCSA-N 1 2 381.520 -0.771 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001674513408 1071827261 /nfs/dbraw/zinc/82/72/61/1071827261.db2.gz RLSRZFGXISQBDO-LBPRGKRZSA-N 1 2 381.520 -0.771 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001674526800 1071827204 /nfs/dbraw/zinc/82/72/04/1071827204.db2.gz DMMNOLIWTULFOG-UHFFFAOYSA-N 1 2 393.448 -0.521 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001674526800 1071827200 /nfs/dbraw/zinc/82/72/00/1071827200.db2.gz DMMNOLIWTULFOG-UHFFFAOYSA-N 1 2 393.448 -0.521 20 0 GBADLO C[C@H](CNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[NH+]1CCN(C)CC1 ZINC001674751608 1071829344 /nfs/dbraw/zinc/82/93/44/1071829344.db2.gz WJIDQFMHRVCCPP-GFCCVEGCSA-N 1 2 387.481 -0.092 20 0 GBADLO C[C@@H](CNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)[NH+]1CCN(C)CC1 ZINC001674751609 1071829462 /nfs/dbraw/zinc/82/94/62/1071829462.db2.gz WJIDQFMHRVCCPP-LBPRGKRZSA-N 1 2 387.481 -0.092 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cnc(C(N)=O)s2)CC1 ZINC001674789816 1071830780 /nfs/dbraw/zinc/83/07/80/1071830780.db2.gz SZRGWRWOZRTUOP-UHFFFAOYSA-N 1 2 375.476 -0.128 20 0 GBADLO O=C(NCCCn1ccc(=O)[nH]c1=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001674892859 1071831426 /nfs/dbraw/zinc/83/14/26/1071831426.db2.gz CFFFVZZSFJUUAY-UHFFFAOYSA-N 1 2 391.432 -0.311 20 0 GBADLO CCn1cc(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c(=O)[nH]c1=O ZINC001674894005 1071831382 /nfs/dbraw/zinc/83/13/82/1071831382.db2.gz SUTLKVDFQNFKMD-UHFFFAOYSA-N 1 2 391.432 -0.181 20 0 GBADLO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CC1 ZINC001674988359 1071833674 /nfs/dbraw/zinc/83/36/74/1071833674.db2.gz WXXNTZIWMIFEDU-UHFFFAOYSA-N 1 2 387.510 -0.826 20 0 GBADLO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2nn[nH]c2C(=O)NC2CC2)CC1 ZINC001675072708 1071834651 /nfs/dbraw/zinc/83/46/51/1071834651.db2.gz LIWZTLVGHSBYFI-UHFFFAOYSA-N 1 2 392.464 -0.285 20 0 GBADLO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Nc3nn[nH]c3C(=O)NC3CC3)CC2)C1 ZINC001675078008 1071834205 /nfs/dbraw/zinc/83/42/05/1071834205.db2.gz SPDCZMPBTXZEDB-CYBMUJFWSA-N 1 2 376.465 -0.059 20 0 GBADLO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3nn[nH]c3C(=O)NC3CC3)CC2)C1 ZINC001675078008 1071834203 /nfs/dbraw/zinc/83/42/03/1071834203.db2.gz SPDCZMPBTXZEDB-CYBMUJFWSA-N 1 2 376.465 -0.059 20 0 GBADLO C[N@H+]1CCC[C@H](N2CCN(C(=O)Nc3nn[nH]c3C(=O)NC3CC3)CC2)C1 ZINC001675078009 1071834745 /nfs/dbraw/zinc/83/47/45/1071834745.db2.gz SPDCZMPBTXZEDB-ZDUSSCGKSA-N 1 2 376.465 -0.059 20 0 GBADLO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3nn[nH]c3C(=O)NC3CC3)CC2)C1 ZINC001675078009 1071834743 /nfs/dbraw/zinc/83/47/43/1071834743.db2.gz SPDCZMPBTXZEDB-ZDUSSCGKSA-N 1 2 376.465 -0.059 20 0 GBADLO CNS(=O)(=O)CCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001675079076 1071834161 /nfs/dbraw/zinc/83/41/61/1071834161.db2.gz DZBDAIZWFBWSEU-UHFFFAOYSA-N 1 2 396.477 -0.866 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC001675084934 1071834609 /nfs/dbraw/zinc/83/46/09/1071834609.db2.gz XCAMIYSPIGRKDX-AWEZNQCLSA-N 1 2 378.429 -0.034 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC001675084935 1071834710 /nfs/dbraw/zinc/83/47/10/1071834710.db2.gz XCAMIYSPIGRKDX-CQSZACIVSA-N 1 2 378.429 -0.034 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cn1 ZINC001675105477 1071835432 /nfs/dbraw/zinc/83/54/32/1071835432.db2.gz IGSDQMMQQMQUHA-UHFFFAOYSA-N 1 2 396.448 -0.784 20 0 GBADLO COCCNC(=O)Cn1cc(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cn1 ZINC001675105477 1071835427 /nfs/dbraw/zinc/83/54/27/1071835427.db2.gz IGSDQMMQQMQUHA-UHFFFAOYSA-N 1 2 396.448 -0.784 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCNC(=O)c1ccco1 ZINC001675275691 1071836190 /nfs/dbraw/zinc/83/61/90/1071836190.db2.gz JTGRCHJAVCEVPF-GOSISDBHSA-N 1 2 380.445 -0.076 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCNC(=O)c1ccco1 ZINC001675275691 1071836184 /nfs/dbraw/zinc/83/61/84/1071836184.db2.gz JTGRCHJAVCEVPF-GOSISDBHSA-N 1 2 380.445 -0.076 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCNC(=O)c1ccco1 ZINC001675275692 1071836063 /nfs/dbraw/zinc/83/60/63/1071836063.db2.gz JTGRCHJAVCEVPF-SFHVURJKSA-N 1 2 380.445 -0.076 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCNC(=O)c1ccco1 ZINC001675275692 1071836058 /nfs/dbraw/zinc/83/60/58/1071836058.db2.gz JTGRCHJAVCEVPF-SFHVURJKSA-N 1 2 380.445 -0.076 20 0 GBADLO CN1C(=O)N=NC1CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001675469657 1071838170 /nfs/dbraw/zinc/83/81/70/1071838170.db2.gz ZKXKKQDOHOATOI-LLVKDONJSA-N 1 2 383.453 -0.129 20 0 GBADLO CN1C(=O)N=NC1CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001675469657 1071838168 /nfs/dbraw/zinc/83/81/68/1071838168.db2.gz ZKXKKQDOHOATOI-LLVKDONJSA-N 1 2 383.453 -0.129 20 0 GBADLO CN1C(=O)N=NC1CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001675469658 1071838250 /nfs/dbraw/zinc/83/82/50/1071838250.db2.gz ZKXKKQDOHOATOI-NSHDSACASA-N 1 2 383.453 -0.129 20 0 GBADLO CN1C(=O)N=NC1CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001675469658 1071838247 /nfs/dbraw/zinc/83/82/47/1071838247.db2.gz ZKXKKQDOHOATOI-NSHDSACASA-N 1 2 383.453 -0.129 20 0 GBADLO C[NH+]1CCN(C2CCN(C(=O)Nc3n[nH]nc3C(=O)NC3CC3)CC2)CC1 ZINC001675469844 1071838421 /nfs/dbraw/zinc/83/84/21/1071838421.db2.gz FDLCAWQXVAPERZ-UHFFFAOYSA-N 1 2 376.465 -0.059 20 0 GBADLO CC(C)[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001675540510 1071838159 /nfs/dbraw/zinc/83/81/59/1071838159.db2.gz HMNPSHGCDMLNTQ-HNNXBMFYSA-N 1 2 399.517 -0.151 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOCCN1 ZINC001675543629 1071838182 /nfs/dbraw/zinc/83/81/82/1071838182.db2.gz AFORSJIDJRQTBG-UHFFFAOYSA-N 1 2 398.489 -0.920 20 0 GBADLO CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(=O)N=S(C)(C)=O)CC1 ZINC001675544827 1071838356 /nfs/dbraw/zinc/83/83/56/1071838356.db2.gz XZNIVTOQJMEHNI-UHFFFAOYSA-N 1 2 375.495 -0.470 20 0 GBADLO CC1(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)COC1 ZINC001675544934 1071839505 /nfs/dbraw/zinc/83/95/05/1071839505.db2.gz ZGDBEDZAOWKHSW-UHFFFAOYSA-N 1 2 383.474 -0.379 20 0 GBADLO Cn1cc(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(=O)[nH]c1=O ZINC001675949831 1071843015 /nfs/dbraw/zinc/84/30/15/1071843015.db2.gz ADYAQLBCIBGLMD-INIZCTEOSA-N 1 2 383.474 -0.507 20 0 GBADLO Cn1cc(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(=O)[nH]c1=O ZINC001675949832 1071842962 /nfs/dbraw/zinc/84/29/62/1071842962.db2.gz ADYAQLBCIBGLMD-MRXNPFEDSA-N 1 2 383.474 -0.507 20 0 GBADLO NS(=O)(=O)CCCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001675950015 1071842912 /nfs/dbraw/zinc/84/29/12/1071842912.db2.gz GBRHMIKGWCDOGG-AWEZNQCLSA-N 1 2 380.536 -0.438 20 0 GBADLO NS(=O)(=O)CCCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001675950016 1071842548 /nfs/dbraw/zinc/84/25/48/1071842548.db2.gz GBRHMIKGWCDOGG-CQSZACIVSA-N 1 2 380.536 -0.438 20 0 GBADLO COC(=O)C1(O)CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC001676113864 1071844247 /nfs/dbraw/zinc/84/42/47/1071844247.db2.gz LNXMRTHRRPBOEQ-UHFFFAOYSA-N 1 2 393.440 -0.173 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2nnc3c(=O)n(C)ccn23)[C@H](C)CO1 ZINC001676117953 1071845479 /nfs/dbraw/zinc/84/54/79/1071845479.db2.gz MPCSVOBQLPNLAV-CHWSQXEVSA-N 1 2 377.449 -0.621 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2nnc3c(=O)n(C)ccn23)[C@H](C)CO1 ZINC001676117953 1071845469 /nfs/dbraw/zinc/84/54/69/1071845469.db2.gz MPCSVOBQLPNLAV-CHWSQXEVSA-N 1 2 377.449 -0.621 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001676117954 1071845212 /nfs/dbraw/zinc/84/52/12/1071845212.db2.gz MPCSVOBQLPNLAV-OLZOCXBDSA-N 1 2 377.449 -0.621 20 0 GBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001676117954 1071845200 /nfs/dbraw/zinc/84/52/00/1071845200.db2.gz MPCSVOBQLPNLAV-OLZOCXBDSA-N 1 2 377.449 -0.621 20 0 GBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2nnc3c(=O)n(C)ccn23)[C@@H](C)CO1 ZINC001676117955 1071845094 /nfs/dbraw/zinc/84/50/94/1071845094.db2.gz MPCSVOBQLPNLAV-QWHCGFSZSA-N 1 2 377.449 -0.621 20 0 GBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2nnc3c(=O)n(C)ccn23)[C@@H](C)CO1 ZINC001676117955 1071845063 /nfs/dbraw/zinc/84/50/63/1071845063.db2.gz MPCSVOBQLPNLAV-QWHCGFSZSA-N 1 2 377.449 -0.621 20 0 GBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2nnc3c(=O)n(C)ccn23)[C@@H](C)CO1 ZINC001676117956 1071845648 /nfs/dbraw/zinc/84/56/48/1071845648.db2.gz MPCSVOBQLPNLAV-STQMWFEESA-N 1 2 377.449 -0.621 20 0 GBADLO C[C@H]1C[N@H+](CCNC(=O)NCCc2nnc3c(=O)n(C)ccn23)[C@@H](C)CO1 ZINC001676117956 1071845643 /nfs/dbraw/zinc/84/56/43/1071845643.db2.gz MPCSVOBQLPNLAV-STQMWFEESA-N 1 2 377.449 -0.621 20 0 GBADLO C[NH+](C)Cc1csc(CNC(=O)NCC2(O)CCS(=O)(=O)CC2)n1 ZINC001676143259 1071845597 /nfs/dbraw/zinc/84/55/97/1071845597.db2.gz YVNDPJXGYPCRSP-UHFFFAOYSA-N 1 2 376.504 -0.056 20 0 GBADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001676155422 1071846344 /nfs/dbraw/zinc/84/63/44/1071846344.db2.gz DPUFGCKFPNKDTE-CYBMUJFWSA-N 1 2 396.535 -0.593 20 0 GBADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001676155423 1071846281 /nfs/dbraw/zinc/84/62/81/1071846281.db2.gz DPUFGCKFPNKDTE-ZDUSSCGKSA-N 1 2 396.535 -0.593 20 0 GBADLO COc1cc(CNC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)ccc1OCC(N)=O ZINC001676158135 1071847268 /nfs/dbraw/zinc/84/72/68/1071847268.db2.gz SKBMRLZNLKWYNJ-AWEZNQCLSA-N 1 2 393.488 -0.006 20 0 GBADLO COc1cc(CNC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)ccc1OCC(N)=O ZINC001676158136 1071847295 /nfs/dbraw/zinc/84/72/95/1071847295.db2.gz SKBMRLZNLKWYNJ-CQSZACIVSA-N 1 2 393.488 -0.006 20 0 GBADLO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001676186545 1071847319 /nfs/dbraw/zinc/84/73/19/1071847319.db2.gz KTMAEVCAEOZCRZ-YPMHNXCESA-N 1 2 393.473 -0.372 20 0 GBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(NS(=O)(=O)NC)CC1 ZINC001676193299 1071847401 /nfs/dbraw/zinc/84/74/01/1071847401.db2.gz QPGDEAYHIHSFBF-CYBMUJFWSA-N 1 2 377.511 -0.675 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(NS(=O)(=O)NC)CC1 ZINC001676193300 1071847460 /nfs/dbraw/zinc/84/74/60/1071847460.db2.gz QPGDEAYHIHSFBF-ZDUSSCGKSA-N 1 2 377.511 -0.675 20 0 GBADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001676234337 1071848138 /nfs/dbraw/zinc/84/81/38/1071848138.db2.gz YBYXFWPWOCDEGZ-HNNXBMFYSA-N 1 2 382.424 -0.121 20 0 GBADLO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001676234339 1071848187 /nfs/dbraw/zinc/84/81/87/1071848187.db2.gz YBYXFWPWOCDEGZ-OAHLLOKOSA-N 1 2 382.424 -0.121 20 0 GBADLO CCS(=O)(=O)NC1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001676243912 1071848579 /nfs/dbraw/zinc/84/85/79/1071848579.db2.gz AGXKHTXZYSUTBS-UHFFFAOYSA-N 1 2 390.506 -0.452 20 0 GBADLO CCS(=O)(=O)NC1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001676243912 1071848569 /nfs/dbraw/zinc/84/85/69/1071848569.db2.gz AGXKHTXZYSUTBS-UHFFFAOYSA-N 1 2 390.506 -0.452 20 0 GBADLO NS(=O)(=O)CC1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001676243999 1071848849 /nfs/dbraw/zinc/84/88/49/1071848849.db2.gz CYYCSVSYCQIQKJ-UHFFFAOYSA-N 1 2 376.479 -0.855 20 0 GBADLO NS(=O)(=O)CC1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001676243999 1071848846 /nfs/dbraw/zinc/84/88/46/1071848846.db2.gz CYYCSVSYCQIQKJ-UHFFFAOYSA-N 1 2 376.479 -0.855 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001676245876 1071848561 /nfs/dbraw/zinc/84/85/61/1071848561.db2.gz QBCSFTRSZCBGSL-AWEZNQCLSA-N 1 2 390.506 -0.452 20 0 GBADLO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001676245876 1071848555 /nfs/dbraw/zinc/84/85/55/1071848555.db2.gz QBCSFTRSZCBGSL-AWEZNQCLSA-N 1 2 390.506 -0.452 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001676245877 1071848648 /nfs/dbraw/zinc/84/86/48/1071848648.db2.gz QBCSFTRSZCBGSL-CQSZACIVSA-N 1 2 390.506 -0.452 20 0 GBADLO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001676245877 1071848636 /nfs/dbraw/zinc/84/86/36/1071848636.db2.gz QBCSFTRSZCBGSL-CQSZACIVSA-N 1 2 390.506 -0.452 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001676245887 1071848310 /nfs/dbraw/zinc/84/83/10/1071848310.db2.gz QGNWOKSNSPAVGZ-CYBMUJFWSA-N 1 2 376.479 -0.842 20 0 GBADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001676245887 1071848296 /nfs/dbraw/zinc/84/82/96/1071848296.db2.gz QGNWOKSNSPAVGZ-CYBMUJFWSA-N 1 2 376.479 -0.842 20 0 GBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001676245888 1071848750 /nfs/dbraw/zinc/84/87/50/1071848750.db2.gz QGNWOKSNSPAVGZ-ZDUSSCGKSA-N 1 2 376.479 -0.842 20 0 GBADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001676245888 1071848749 /nfs/dbraw/zinc/84/87/49/1071848749.db2.gz QGNWOKSNSPAVGZ-ZDUSSCGKSA-N 1 2 376.479 -0.842 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N(CCC(F)(F)F)C[C@H](O)CO ZINC001676245934 1071848372 /nfs/dbraw/zinc/84/83/72/1071848372.db2.gz RGKJAMCLFQNWPG-LBPRGKRZSA-N 1 2 385.383 -0.248 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N(CCC(F)(F)F)C[C@H](O)CO ZINC001676245934 1071848360 /nfs/dbraw/zinc/84/83/60/1071848360.db2.gz RGKJAMCLFQNWPG-LBPRGKRZSA-N 1 2 385.383 -0.248 20 0 GBADLO CON(C)C(=O)[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001676278166 1071849703 /nfs/dbraw/zinc/84/97/03/1071849703.db2.gz CGXQHJJNBBDXQD-CQSZACIVSA-N 1 2 392.460 -0.172 20 0 GBADLO C[C@@H](O)[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001676278430 1071849564 /nfs/dbraw/zinc/84/95/64/1071849564.db2.gz LUWSZQPEBFGNIK-CVEARBPZSA-N 1 2 391.472 -0.089 20 0 GBADLO C[C@H](O)[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001676278431 1071849481 /nfs/dbraw/zinc/84/94/81/1071849481.db2.gz LUWSZQPEBFGNIK-HOTGVXAUSA-N 1 2 391.472 -0.089 20 0 GBADLO C[C@@H](O)[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001676278432 1071849520 /nfs/dbraw/zinc/84/95/20/1071849520.db2.gz LUWSZQPEBFGNIK-HZPDHXFCSA-N 1 2 391.472 -0.089 20 0 GBADLO C[C@H](O)[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001676278433 1071849749 /nfs/dbraw/zinc/84/97/49/1071849749.db2.gz LUWSZQPEBFGNIK-JKSUJKDBSA-N 1 2 391.472 -0.089 20 0 GBADLO COC(=O)C1(O)CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001676278639 1071849588 /nfs/dbraw/zinc/84/95/88/1071849588.db2.gz RZMMROZDRRYELW-UHFFFAOYSA-N 1 2 391.428 -0.950 20 0 GBADLO C[NH+](C)CCOC1CCN(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CC1 ZINC001676353077 1071850731 /nfs/dbraw/zinc/85/07/31/1071850731.db2.gz NGHWWFCBQNURJO-UHFFFAOYSA-N 1 2 388.494 -0.399 20 0 GBADLO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)CC2)C1 ZINC001676353115 1071850807 /nfs/dbraw/zinc/85/08/07/1071850807.db2.gz OFWHGJHUFLUYMO-CYBMUJFWSA-N 1 2 399.521 -0.729 20 0 GBADLO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)CC2)C1 ZINC001676353115 1071850803 /nfs/dbraw/zinc/85/08/03/1071850803.db2.gz OFWHGJHUFLUYMO-CYBMUJFWSA-N 1 2 399.521 -0.729 20 0 GBADLO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)CC2)C1 ZINC001676353116 1071850777 /nfs/dbraw/zinc/85/07/77/1071850777.db2.gz OFWHGJHUFLUYMO-ZDUSSCGKSA-N 1 2 399.521 -0.729 20 0 GBADLO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)CC2)C1 ZINC001676353116 1071850774 /nfs/dbraw/zinc/85/07/74/1071850774.db2.gz OFWHGJHUFLUYMO-ZDUSSCGKSA-N 1 2 399.521 -0.729 20 0 GBADLO CC(C)[C@@H](CNC(=O)NCc1nc(CS(C)(=O)=O)n[nH]1)[NH+]1CCOCC1 ZINC001676444946 1071851466 /nfs/dbraw/zinc/85/14/66/1071851466.db2.gz DQZFOLSUFWNVEJ-GFCCVEGCSA-N 1 2 388.494 -0.495 20 0 GBADLO CC(C)[C@H](CNC(=O)NCc1nc(CS(C)(=O)=O)n[nH]1)[NH+]1CCOCC1 ZINC001676444947 1071851376 /nfs/dbraw/zinc/85/13/76/1071851376.db2.gz DQZFOLSUFWNVEJ-LBPRGKRZSA-N 1 2 388.494 -0.495 20 0 GBADLO O=C(NC[C@@H](CO)[NH2+]Cc1nc(-c2ccncn2)no1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001676554140 1071852550 /nfs/dbraw/zinc/85/25/50/1071852550.db2.gz BGIBVHMELLUMAV-JYXMKJBCSA-N 1 2 386.412 -0.483 20 0 GBADLO O=C(NC[C@H](CO)[NH2+]Cc1nc(-c2ccncn2)no1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001676554141 1071852748 /nfs/dbraw/zinc/85/27/48/1071852748.db2.gz BGIBVHMELLUMAV-VOZZTLDKSA-N 1 2 386.412 -0.483 20 0 GBADLO O=C(NC[C@H](CO)[NH2+]Cc1nnnn1CC(F)(F)F)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001676554800 1071852616 /nfs/dbraw/zinc/85/26/16/1071852616.db2.gz LWJJTXFXMAHMIC-JYMMUIJESA-N 1 2 390.366 -0.775 20 0 GBADLO O=C(NC[C@@H](CO)[NH2+]Cc1nnnn1CC(F)(F)F)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001676554801 1071853724 /nfs/dbraw/zinc/85/37/24/1071853724.db2.gz LWJJTXFXMAHMIC-ZTHPDXAWSA-N 1 2 390.366 -0.775 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)CC1 ZINC001676587060 1071853575 /nfs/dbraw/zinc/85/35/75/1071853575.db2.gz GHFPOHCNDBFUFN-HNNXBMFYSA-N 1 2 394.476 -0.249 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)CC1 ZINC001676587061 1071853539 /nfs/dbraw/zinc/85/35/39/1071853539.db2.gz GHFPOHCNDBFUFN-OAHLLOKOSA-N 1 2 394.476 -0.249 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001676647583 1071854800 /nfs/dbraw/zinc/85/48/00/1071854800.db2.gz VDMHKGUQBDZIQQ-GOSISDBHSA-N 1 2 395.460 -0.746 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001676647583 1071854798 /nfs/dbraw/zinc/85/47/98/1071854798.db2.gz VDMHKGUQBDZIQQ-GOSISDBHSA-N 1 2 395.460 -0.746 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001676647653 1071854785 /nfs/dbraw/zinc/85/47/85/1071854785.db2.gz VDMHKGUQBDZIQQ-SFHVURJKSA-N 1 2 395.460 -0.746 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001676647653 1071854779 /nfs/dbraw/zinc/85/47/79/1071854779.db2.gz VDMHKGUQBDZIQQ-SFHVURJKSA-N 1 2 395.460 -0.746 20 0 GBADLO CS(=O)(=O)C[C@@H](O)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001676949004 1071858202 /nfs/dbraw/zinc/85/82/02/1071858202.db2.gz IAYFKEXAGJFMFE-INIZCTEOSA-N 1 2 385.486 -0.277 20 0 GBADLO CS(=O)(=O)C[C@H](O)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001676949005 1071858175 /nfs/dbraw/zinc/85/81/75/1071858175.db2.gz IAYFKEXAGJFMFE-MRXNPFEDSA-N 1 2 385.486 -0.277 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC001677101118 1071859681 /nfs/dbraw/zinc/85/96/81/1071859681.db2.gz FMHVQVVTLIONDR-UHFFFAOYSA-N 1 2 395.547 -0.381 20 0 GBADLO CS(=O)(=O)CCN1CCC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001677101145 1071860161 /nfs/dbraw/zinc/86/01/61/1071860161.db2.gz GAPSRJBVUUYWES-IYBDPMFKSA-N 1 2 388.534 -0.342 20 0 GBADLO CS(=O)(=O)CCN1CCC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001677101145 1071860155 /nfs/dbraw/zinc/86/01/55/1071860155.db2.gz GAPSRJBVUUYWES-IYBDPMFKSA-N 1 2 388.534 -0.342 20 0 GBADLO COC(=O)[C@]1(OC)CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001677101648 1071859747 /nfs/dbraw/zinc/85/97/47/1071859747.db2.gz KPAYEEXDOPYBDW-INIZCTEOSA-N 1 2 391.490 -0.531 20 0 GBADLO COC(=O)[C@@]1(OC)CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001677101649 1071860094 /nfs/dbraw/zinc/86/00/94/1071860094.db2.gz KPAYEEXDOPYBDW-MRXNPFEDSA-N 1 2 391.490 -0.531 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@]23CC(=O)N[C@H]2CCCC3)CC1 ZINC001677102040 1071859798 /nfs/dbraw/zinc/85/97/98/1071859798.db2.gz OKILDBMBNBOKSH-WMLDXEAASA-N 1 2 386.518 -0.004 20 0 GBADLO COC[C@@]1(CO)CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001677102545 1071860200 /nfs/dbraw/zinc/86/02/00/1071860200.db2.gz UUKRRDZTDGOMTR-INIZCTEOSA-N 1 2 377.507 -0.464 20 0 GBADLO COC[C@]1(CO)CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001677102546 1071860186 /nfs/dbraw/zinc/86/01/86/1071860186.db2.gz UUKRRDZTDGOMTR-MRXNPFEDSA-N 1 2 377.507 -0.464 20 0 GBADLO CS(=O)(=O)CCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001677102587 1071859639 /nfs/dbraw/zinc/85/96/39/1071859639.db2.gz WGZUKYKCIRDHST-UHFFFAOYSA-N 1 2 383.536 -0.381 20 0 GBADLO CC(C)(CNC(=O)N1CC[NH+](CCc2cnccn2)CC1)NS(C)(=O)=O ZINC001677105394 1071859957 /nfs/dbraw/zinc/85/99/57/1071859957.db2.gz ICBAASYQQKXWJZ-UHFFFAOYSA-N 1 2 384.506 -0.326 20 0 GBADLO C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@H]1CN(C)CC[N@H+]1C ZINC001677145393 1071859560 /nfs/dbraw/zinc/85/95/60/1071859560.db2.gz NEBARFLTANLXHW-CMPLNLGQSA-N 1 2 375.520 -0.171 20 0 GBADLO C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@H]1CN(C)CC[N@@H+]1C ZINC001677145393 1071859558 /nfs/dbraw/zinc/85/95/58/1071859558.db2.gz NEBARFLTANLXHW-CMPLNLGQSA-N 1 2 375.520 -0.171 20 0 GBADLO C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@@H]1CN(C)CC[N@H+]1C ZINC001677145394 1071860045 /nfs/dbraw/zinc/86/00/45/1071860045.db2.gz NEBARFLTANLXHW-JQWIXIFHSA-N 1 2 375.520 -0.171 20 0 GBADLO C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001677145394 1071860033 /nfs/dbraw/zinc/86/00/33/1071860033.db2.gz NEBARFLTANLXHW-JQWIXIFHSA-N 1 2 375.520 -0.171 20 0 GBADLO C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@@H]1CN(C)CC[N@H+]1C ZINC001677145395 1071859595 /nfs/dbraw/zinc/85/95/95/1071859595.db2.gz NEBARFLTANLXHW-PWSUYJOCSA-N 1 2 375.520 -0.171 20 0 GBADLO C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001677145395 1071859591 /nfs/dbraw/zinc/85/95/91/1071859591.db2.gz NEBARFLTANLXHW-PWSUYJOCSA-N 1 2 375.520 -0.171 20 0 GBADLO C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@H]1CN(C)CC[N@H+]1C ZINC001677145396 1071859626 /nfs/dbraw/zinc/85/96/26/1071859626.db2.gz NEBARFLTANLXHW-ZYHUDNBSSA-N 1 2 375.520 -0.171 20 0 GBADLO C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@H]1CN(C)CC[N@@H+]1C ZINC001677145396 1071859622 /nfs/dbraw/zinc/85/96/22/1071859622.db2.gz NEBARFLTANLXHW-ZYHUDNBSSA-N 1 2 375.520 -0.171 20 0 GBADLO O=C(NC[C@H]1COCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001677176407 1071861177 /nfs/dbraw/zinc/86/11/77/1071861177.db2.gz VAAQCTQIIKCOJG-CABCVRRESA-N 1 2 392.460 -0.046 20 0 GBADLO O=C(NC[C@H]1COCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001677176407 1071861171 /nfs/dbraw/zinc/86/11/71/1071861171.db2.gz VAAQCTQIIKCOJG-CABCVRRESA-N 1 2 392.460 -0.046 20 0 GBADLO O=C(NC[C@H]1COCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001677176408 1071861080 /nfs/dbraw/zinc/86/10/80/1071861080.db2.gz VAAQCTQIIKCOJG-GJZGRUSLSA-N 1 2 392.460 -0.046 20 0 GBADLO O=C(NC[C@H]1COCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001677176408 1071861074 /nfs/dbraw/zinc/86/10/74/1071861074.db2.gz VAAQCTQIIKCOJG-GJZGRUSLSA-N 1 2 392.460 -0.046 20 0 GBADLO O=C(NC[C@@H]1COCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001677176409 1071860850 /nfs/dbraw/zinc/86/08/50/1071860850.db2.gz VAAQCTQIIKCOJG-HUUCEWRRSA-N 1 2 392.460 -0.046 20 0 GBADLO O=C(NC[C@@H]1COCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001677176409 1071860842 /nfs/dbraw/zinc/86/08/42/1071860842.db2.gz VAAQCTQIIKCOJG-HUUCEWRRSA-N 1 2 392.460 -0.046 20 0 GBADLO O=C(NC[C@@H]1COCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001677176410 1071861313 /nfs/dbraw/zinc/86/13/13/1071861313.db2.gz VAAQCTQIIKCOJG-LSDHHAIUSA-N 1 2 392.460 -0.046 20 0 GBADLO O=C(NC[C@@H]1COCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001677176410 1071861307 /nfs/dbraw/zinc/86/13/07/1071861307.db2.gz VAAQCTQIIKCOJG-LSDHHAIUSA-N 1 2 392.460 -0.046 20 0 GBADLO CC(C)N(CC[N@@H+](C)CC(=O)N1CCNC(=O)C1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001677211230 1071861756 /nfs/dbraw/zinc/86/17/56/1071861756.db2.gz FVLLWYUAIZEDFV-OAGGEKHMSA-N 1 2 380.489 -0.319 20 0 GBADLO CC(C)N(CC[N@H+](C)CC(=O)N1CCNC(=O)C1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001677211230 1071861753 /nfs/dbraw/zinc/86/17/53/1071861753.db2.gz FVLLWYUAIZEDFV-OAGGEKHMSA-N 1 2 380.489 -0.319 20 0 GBADLO C[C@@H](NC(=O)NCCc1nnc2c(=O)n(C)ccn12)[C@@H](C)[NH+]1CCOCC1 ZINC001677228633 1071861778 /nfs/dbraw/zinc/86/17/78/1071861778.db2.gz DAFVXLGYEXWJAR-CHWSQXEVSA-N 1 2 377.449 -0.621 20 0 GBADLO C[C@@H](NC(=O)NCCc1nnc2c(=O)n(C)ccn12)[C@H](C)[NH+]1CCOCC1 ZINC001677228634 1071862308 /nfs/dbraw/zinc/86/23/08/1071862308.db2.gz DAFVXLGYEXWJAR-OLZOCXBDSA-N 1 2 377.449 -0.621 20 0 GBADLO C[C@H]([C@H](C)NC(=O)NCCc1nnc2c(=O)n(C)ccn12)[NH+]1CCOCC1 ZINC001677228635 1071861792 /nfs/dbraw/zinc/86/17/92/1071861792.db2.gz DAFVXLGYEXWJAR-QWHCGFSZSA-N 1 2 377.449 -0.621 20 0 GBADLO C[C@H](NC(=O)NCCc1nnc2c(=O)n(C)ccn12)[C@H](C)[NH+]1CCOCC1 ZINC001677228636 1071862142 /nfs/dbraw/zinc/86/21/42/1071862142.db2.gz DAFVXLGYEXWJAR-STQMWFEESA-N 1 2 377.449 -0.621 20 0 GBADLO CS(=O)(=O)C1CCN(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC001677377369 1071863036 /nfs/dbraw/zinc/86/30/36/1071863036.db2.gz IFXGLSIZFHIKGC-HNNXBMFYSA-N 1 2 388.534 -0.389 20 0 GBADLO CS(=O)(=O)C1CCN(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC001677377370 1071863071 /nfs/dbraw/zinc/86/30/71/1071863071.db2.gz IFXGLSIZFHIKGC-OAHLLOKOSA-N 1 2 388.534 -0.389 20 0 GBADLO NS(=O)(=O)C1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001677394066 1071863707 /nfs/dbraw/zinc/86/37/07/1071863707.db2.gz GSPGQPMZSXDFNX-CYBMUJFWSA-N 1 2 378.520 -0.685 20 0 GBADLO NS(=O)(=O)C1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001677394067 1071863634 /nfs/dbraw/zinc/86/36/34/1071863634.db2.gz GSPGQPMZSXDFNX-ZDUSSCGKSA-N 1 2 378.520 -0.685 20 0 GBADLO O=C(NCCCn1ccc(=O)[nH]c1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001677398112 1071863660 /nfs/dbraw/zinc/86/36/60/1071863660.db2.gz ACRKMSRWNXECLC-KRWDZBQOSA-N 1 2 397.501 -0.154 20 0 GBADLO O=C(NCCCn1ccc(=O)[nH]c1=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001677398113 1071863913 /nfs/dbraw/zinc/86/39/13/1071863913.db2.gz ACRKMSRWNXECLC-QGZVFWFLSA-N 1 2 397.501 -0.154 20 0 GBADLO CC(C)(CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)CS(N)(=O)=O ZINC001677398705 1071863799 /nfs/dbraw/zinc/86/37/99/1071863799.db2.gz STLGPBHKQZIKPA-HNNXBMFYSA-N 1 2 394.563 -0.192 20 0 GBADLO CC(C)(CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)CS(N)(=O)=O ZINC001677398706 1071863855 /nfs/dbraw/zinc/86/38/55/1071863855.db2.gz STLGPBHKQZIKPA-OAHLLOKOSA-N 1 2 394.563 -0.192 20 0 GBADLO C[C@H](CNC(=O)NCc1nc2c(c(=O)[nH]1)COCC2)CN1CC[NH+](C)CC1 ZINC001677507954 1071865012 /nfs/dbraw/zinc/86/50/12/1071865012.db2.gz CHZLIEZTNIJXEK-CYBMUJFWSA-N 1 2 378.477 -0.062 20 0 GBADLO C[C@@H](CNC(=O)NCc1nc2c(c(=O)[nH]1)COCC2)CN1CC[NH+](C)CC1 ZINC001677507955 1071864902 /nfs/dbraw/zinc/86/49/02/1071864902.db2.gz CHZLIEZTNIJXEK-ZDUSSCGKSA-N 1 2 378.477 -0.062 20 0 GBADLO NS(=O)(=O)C1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC001677508457 1071864640 /nfs/dbraw/zinc/86/46/40/1071864640.db2.gz HSNBEESQZKSCDN-UHFFFAOYSA-N 1 2 398.485 -0.420 20 0 GBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001677634350 1071865780 /nfs/dbraw/zinc/86/57/80/1071865780.db2.gz UTRPWWUQUPARGP-AWEZNQCLSA-N 1 2 378.495 -0.942 20 0 GBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001677634350 1071865778 /nfs/dbraw/zinc/86/57/78/1071865778.db2.gz UTRPWWUQUPARGP-AWEZNQCLSA-N 1 2 378.495 -0.942 20 0 GBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001677634351 1071865721 /nfs/dbraw/zinc/86/57/21/1071865721.db2.gz UTRPWWUQUPARGP-CQSZACIVSA-N 1 2 378.495 -0.942 20 0 GBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001677634351 1071865717 /nfs/dbraw/zinc/86/57/17/1071865717.db2.gz UTRPWWUQUPARGP-CQSZACIVSA-N 1 2 378.495 -0.942 20 0 GBADLO CS(=O)(=O)CCOCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001677731483 1071866673 /nfs/dbraw/zinc/86/66/73/1071866673.db2.gz SVHWAPCOKSCATO-UHFFFAOYSA-N 1 2 385.490 -0.593 20 0 GBADLO NC(=O)C1(O)CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC001677852428 1071867584 /nfs/dbraw/zinc/86/75/84/1071867584.db2.gz BVKKQUTXQVHACT-KRWDZBQOSA-N 1 2 390.484 -0.048 20 0 GBADLO NC(=O)C1(O)CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC001677852429 1071867344 /nfs/dbraw/zinc/86/73/44/1071867344.db2.gz BVKKQUTXQVHACT-QGZVFWFLSA-N 1 2 390.484 -0.048 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H](CO)[C@@H]1CCOC1 ZINC001677970573 1071869219 /nfs/dbraw/zinc/86/92/19/1071869219.db2.gz RLYSVNJSLJQKLL-CVEARBPZSA-N 1 2 391.472 -0.183 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H](CO)[C@H]1CCOC1 ZINC001677970574 1071869367 /nfs/dbraw/zinc/86/93/67/1071869367.db2.gz RLYSVNJSLJQKLL-HOTGVXAUSA-N 1 2 391.472 -0.183 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H](CO)[C@@H]1CCOC1 ZINC001677970575 1071869414 /nfs/dbraw/zinc/86/94/14/1071869414.db2.gz RLYSVNJSLJQKLL-HZPDHXFCSA-N 1 2 391.472 -0.183 20 0 GBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H](CO)[C@H]1CCOC1 ZINC001677970576 1071869380 /nfs/dbraw/zinc/86/93/80/1071869380.db2.gz RLYSVNJSLJQKLL-JKSUJKDBSA-N 1 2 391.472 -0.183 20 0 GBADLO CC(CO)(CO)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001677975065 1071870051 /nfs/dbraw/zinc/87/00/51/1071870051.db2.gz SRHXXOBZBDVYOZ-UHFFFAOYSA-N 1 2 379.461 -0.590 20 0 GBADLO Cn1ccn2c(CCNC(=O)NCC[N@H+]3CCOCC3(C)C)nnc2c1=O ZINC001678283668 1071872986 /nfs/dbraw/zinc/87/29/86/1071872986.db2.gz MDSVABQNTOAHIQ-UHFFFAOYSA-N 1 2 377.449 -0.620 20 0 GBADLO Cn1ccn2c(CCNC(=O)NCC[N@@H+]3CCOCC3(C)C)nnc2c1=O ZINC001678283668 1071872980 /nfs/dbraw/zinc/87/29/80/1071872980.db2.gz MDSVABQNTOAHIQ-UHFFFAOYSA-N 1 2 377.449 -0.620 20 0 GBADLO CC(=O)N1C[C@@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001678369481 1071874840 /nfs/dbraw/zinc/87/48/40/1071874840.db2.gz AONMBQIJQGZMGV-GASCZTMLSA-N 1 2 386.518 -0.385 20 0 GBADLO C[C@]1(CO)CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@]1(C)CO ZINC001678370608 1071874861 /nfs/dbraw/zinc/87/48/61/1071874861.db2.gz SNLNFGDYDVFNHP-CALCHBBNSA-N 1 2 391.534 -0.482 20 0 GBADLO CC1(C)CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](CO)O1 ZINC001678370618 1071874685 /nfs/dbraw/zinc/87/46/85/1071874685.db2.gz TWAGMMXVAKHNML-AWEZNQCLSA-N 1 2 377.507 -0.323 20 0 GBADLO CC1(C)CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](CO)O1 ZINC001678370619 1071874709 /nfs/dbraw/zinc/87/47/09/1071874709.db2.gz TWAGMMXVAKHNML-CQSZACIVSA-N 1 2 377.507 -0.323 20 0 GBADLO CNC(=O)NC1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001678370688 1071874819 /nfs/dbraw/zinc/87/48/19/1071874819.db2.gz VTDUVKDDQXMZHX-UHFFFAOYSA-N 1 2 389.522 -0.402 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCCNS(C)(=O)=O)CC1 ZINC001678381940 1071876039 /nfs/dbraw/zinc/87/60/39/1071876039.db2.gz HXZRNUPEVOAFNR-UHFFFAOYSA-N 1 2 378.495 -0.359 20 0 GBADLO O=C(N[C@H]1CCOC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001678434084 1071877412 /nfs/dbraw/zinc/87/74/12/1071877412.db2.gz XYTQOQHGIRPUJJ-KBPBESRZSA-N 1 2 390.444 -0.103 20 0 GBADLO O=C(N[C@H]1CCOC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001678434084 1071877400 /nfs/dbraw/zinc/87/74/00/1071877400.db2.gz XYTQOQHGIRPUJJ-KBPBESRZSA-N 1 2 390.444 -0.103 20 0 GBADLO O=C(N[C@H]1CCOC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001678434085 1071877585 /nfs/dbraw/zinc/87/75/85/1071877585.db2.gz XYTQOQHGIRPUJJ-KGLIPLIRSA-N 1 2 390.444 -0.103 20 0 GBADLO O=C(N[C@H]1CCOC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001678434085 1071877580 /nfs/dbraw/zinc/87/75/80/1071877580.db2.gz XYTQOQHGIRPUJJ-KGLIPLIRSA-N 1 2 390.444 -0.103 20 0 GBADLO Cn1c[nH+]c(CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC001678441484 1071877682 /nfs/dbraw/zinc/87/76/82/1071877682.db2.gz FXZAVZYGFHYLOA-UHFFFAOYSA-N 1 2 386.460 -0.209 20 0 GBADLO Nc1[nH+]cccc1CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC001678442505 1071878535 /nfs/dbraw/zinc/87/85/35/1071878535.db2.gz RJGMXEWEFGAXSD-UHFFFAOYSA-N 1 2 384.444 -0.008 20 0 GBADLO CC(C)(CCNC(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC001678640277 1071880222 /nfs/dbraw/zinc/88/02/22/1071880222.db2.gz RBSAGDBRTTYHTL-HNNXBMFYSA-N 1 2 390.550 -0.095 20 0 GBADLO CC(C)(CCNC(=O)N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC001678640278 1071880331 /nfs/dbraw/zinc/88/03/31/1071880331.db2.gz RBSAGDBRTTYHTL-OAHLLOKOSA-N 1 2 390.550 -0.095 20 0 GBADLO CO[C@@H]1COCC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678661984 1071880654 /nfs/dbraw/zinc/88/06/54/1071880654.db2.gz BBEGGMVTYXJLAX-DZGCQCFKSA-N 1 2 377.507 -0.154 20 0 GBADLO CO[C@H]1COCC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678661985 1071880417 /nfs/dbraw/zinc/88/04/17/1071880417.db2.gz BBEGGMVTYXJLAX-HIFRSBDPSA-N 1 2 377.507 -0.154 20 0 GBADLO CO[C@@H]1COCC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678661986 1071880607 /nfs/dbraw/zinc/88/06/07/1071880607.db2.gz BBEGGMVTYXJLAX-UKRRQHHQSA-N 1 2 377.507 -0.154 20 0 GBADLO CO[C@H]1COCC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678661987 1071880443 /nfs/dbraw/zinc/88/04/43/1071880443.db2.gz BBEGGMVTYXJLAX-ZFWWWQNUSA-N 1 2 377.507 -0.154 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC001678662007 1071880638 /nfs/dbraw/zinc/88/06/38/1071880638.db2.gz BMTVTYYDCLCOJQ-CABCVRRESA-N 1 2 386.518 -0.052 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC001678662008 1071880536 /nfs/dbraw/zinc/88/05/36/1071880536.db2.gz BMTVTYYDCLCOJQ-GJZGRUSLSA-N 1 2 386.518 -0.052 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC001678662009 1071881441 /nfs/dbraw/zinc/88/14/41/1071881441.db2.gz BMTVTYYDCLCOJQ-HUUCEWRRSA-N 1 2 386.518 -0.052 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC001678662010 1071881372 /nfs/dbraw/zinc/88/13/72/1071881372.db2.gz BMTVTYYDCLCOJQ-LSDHHAIUSA-N 1 2 386.518 -0.052 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC3(COC(=O)N3)CC2)CC1 ZINC001678662485 1071881578 /nfs/dbraw/zinc/88/15/78/1071881578.db2.gz JXSPVMNGGPALIZ-UHFFFAOYSA-N 1 2 388.490 -0.221 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC(CO)(CO)CC2)CC1 ZINC001678662736 1071881340 /nfs/dbraw/zinc/88/13/40/1071881340.db2.gz NJKBOTBTBQNGOF-UHFFFAOYSA-N 1 2 377.507 -0.728 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H](CO)[C@H]2CCCOC2)CC1 ZINC001678663386 1071881462 /nfs/dbraw/zinc/88/14/62/1071881462.db2.gz WQDJAWBWVHPMRP-DZGCQCFKSA-N 1 2 377.507 -0.418 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H](CO)[C@@H]2CCCOC2)CC1 ZINC001678663387 1071881033 /nfs/dbraw/zinc/88/10/33/1071881033.db2.gz WQDJAWBWVHPMRP-HIFRSBDPSA-N 1 2 377.507 -0.418 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H](CO)[C@@H]2CCCOC2)CC1 ZINC001678663388 1071881637 /nfs/dbraw/zinc/88/16/37/1071881637.db2.gz WQDJAWBWVHPMRP-UKRRQHHQSA-N 1 2 377.507 -0.418 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H](CO)[C@H]2CCCOC2)CC1 ZINC001678663389 1071881055 /nfs/dbraw/zinc/88/10/55/1071881055.db2.gz WQDJAWBWVHPMRP-ZFWWWQNUSA-N 1 2 377.507 -0.418 20 0 GBADLO CN(C)C(=O)O[C@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001678663458 1071881313 /nfs/dbraw/zinc/88/13/13/1071881313.db2.gz XTLIFGUDZSGTSJ-AWEZNQCLSA-N 1 2 390.506 -0.023 20 0 GBADLO CN(C)C(=O)O[C@@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001678663459 1071881124 /nfs/dbraw/zinc/88/11/24/1071881124.db2.gz XTLIFGUDZSGTSJ-CQSZACIVSA-N 1 2 390.506 -0.023 20 0 GBADLO CN(CC1(O)CCOCC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678663543 1071881285 /nfs/dbraw/zinc/88/12/85/1071881285.db2.gz ZZTZZEFYOTWQSD-UHFFFAOYSA-N 1 2 377.507 -0.322 20 0 GBADLO CC(=O)c1cn(C2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)nn1 ZINC001678668470 1071881428 /nfs/dbraw/zinc/88/14/28/1071881428.db2.gz OCNJDKWFHJFOMB-UHFFFAOYSA-N 1 2 398.489 -0.444 20 0 GBADLO COC1(CO)CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001678668644 1071881623 /nfs/dbraw/zinc/88/16/23/1071881623.db2.gz TZHZOFSKKHTUFX-UHFFFAOYSA-N 1 2 377.507 -0.322 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ncc3c(n2)CCOC3)CC1 ZINC001678668953 1071881614 /nfs/dbraw/zinc/88/16/14/1071881614.db2.gz ZPDIRGFMUPDFTI-UHFFFAOYSA-N 1 2 397.501 -0.143 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001678795352 1071883418 /nfs/dbraw/zinc/88/34/18/1071883418.db2.gz LAXCBMBSELDRGL-CHWSQXEVSA-N 1 2 377.511 -0.677 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC001678795353 1071883308 /nfs/dbraw/zinc/88/33/08/1071883308.db2.gz LAXCBMBSELDRGL-OLZOCXBDSA-N 1 2 377.511 -0.677 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001678795354 1071883054 /nfs/dbraw/zinc/88/30/54/1071883054.db2.gz LAXCBMBSELDRGL-QWHCGFSZSA-N 1 2 377.511 -0.677 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC001678795355 1071883502 /nfs/dbraw/zinc/88/35/02/1071883502.db2.gz LAXCBMBSELDRGL-STQMWFEESA-N 1 2 377.511 -0.677 20 0 GBADLO C[C@@H]1OCCO[C@@H]1C(=O)N(C)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001679644406 1071893710 /nfs/dbraw/zinc/89/37/10/1071893710.db2.gz KFBMHYAPQNLSQN-NHIYQJMISA-N 1 2 380.445 -0.092 20 0 GBADLO C[C@@H]1OCCO[C@@H]1C(=O)N(C)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001679644406 1071893698 /nfs/dbraw/zinc/89/36/98/1071893698.db2.gz KFBMHYAPQNLSQN-NHIYQJMISA-N 1 2 380.445 -0.092 20 0 GBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001679960203 1071897344 /nfs/dbraw/zinc/89/73/44/1071897344.db2.gz MIUSGTYCXUQUOE-UHFFFAOYSA-N 1 2 389.478 -0.496 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC001679982055 1071897491 /nfs/dbraw/zinc/89/74/91/1071897491.db2.gz COQIILJKBVBLSV-LLVKDONJSA-N 1 2 378.476 -0.448 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1csc(S(N)(=O)=O)c1 ZINC001679982056 1071897448 /nfs/dbraw/zinc/89/74/48/1071897448.db2.gz COQIILJKBVBLSV-NSHDSACASA-N 1 2 378.476 -0.448 20 0 GBADLO NS(=O)(=O)c1cc(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cs1 ZINC001679987990 1071897888 /nfs/dbraw/zinc/89/78/88/1071897888.db2.gz YUYXMZKMTCVBLG-UHFFFAOYSA-N 1 2 376.460 -0.034 20 0 GBADLO NS(=O)(=O)c1cc(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cs1 ZINC001679987990 1071897868 /nfs/dbraw/zinc/89/78/68/1071897868.db2.gz YUYXMZKMTCVBLG-UHFFFAOYSA-N 1 2 376.460 -0.034 20 0 GBADLO CC[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C(=O)N1CCOCC1 ZINC001679988243 1071898069 /nfs/dbraw/zinc/89/80/69/1071898069.db2.gz RXTILHXXNJINEP-BEFAXECRSA-N 1 2 398.504 -0.461 20 0 GBADLO CC[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C(=O)N1CCOCC1 ZINC001679988243 1071898059 /nfs/dbraw/zinc/89/80/59/1071898059.db2.gz RXTILHXXNJINEP-BEFAXECRSA-N 1 2 398.504 -0.461 20 0 GBADLO CC[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C(=O)N1CCOCC1 ZINC001679988244 1071898141 /nfs/dbraw/zinc/89/81/41/1071898141.db2.gz RXTILHXXNJINEP-DNVCBOLYSA-N 1 2 398.504 -0.461 20 0 GBADLO CC[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C(=O)N1CCOCC1 ZINC001679988244 1071898135 /nfs/dbraw/zinc/89/81/35/1071898135.db2.gz RXTILHXXNJINEP-DNVCBOLYSA-N 1 2 398.504 -0.461 20 0 GBADLO CC[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C(=O)N1CCOCC1 ZINC001679988245 1071897947 /nfs/dbraw/zinc/89/79/47/1071897947.db2.gz RXTILHXXNJINEP-HNAYVOBHSA-N 1 2 398.504 -0.461 20 0 GBADLO CC[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C(=O)N1CCOCC1 ZINC001679988245 1071897925 /nfs/dbraw/zinc/89/79/25/1071897925.db2.gz RXTILHXXNJINEP-HNAYVOBHSA-N 1 2 398.504 -0.461 20 0 GBADLO CC[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C(=O)N1CCOCC1 ZINC001679988246 1071897623 /nfs/dbraw/zinc/89/76/23/1071897623.db2.gz RXTILHXXNJINEP-KXBFYZLASA-N 1 2 398.504 -0.461 20 0 GBADLO CC[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C(=O)N1CCOCC1 ZINC001679988246 1071897615 /nfs/dbraw/zinc/89/76/15/1071897615.db2.gz RXTILHXXNJINEP-KXBFYZLASA-N 1 2 398.504 -0.461 20 0 GBADLO O=C(NCC[NH+]1CCC(O)CC1)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 ZINC001680334459 1071904680 /nfs/dbraw/zinc/90/46/80/1071904680.db2.gz QUFALCLPJQSDIL-UHFFFAOYSA-N 1 2 382.442 -0.009 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001680336588 1071904782 /nfs/dbraw/zinc/90/47/82/1071904782.db2.gz UGYMYLNOXVDIOJ-LVOIYLQLSA-N 1 2 375.425 -0.351 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001680336589 1071904769 /nfs/dbraw/zinc/90/47/69/1071904769.db2.gz UGYMYLNOXVDIOJ-ROZZDCJJSA-N 1 2 375.425 -0.351 20 0 GBADLO CCOC1CC(CNC(=O)N2CCC(O)(C(N)=O)CC2)([NH+]2CCOCC2)C1 ZINC001680719279 1071909205 /nfs/dbraw/zinc/90/92/05/1071909205.db2.gz GROULSDSPOPFRL-UHFFFAOYSA-N 1 2 384.477 -0.722 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC001680734006 1071909801 /nfs/dbraw/zinc/90/98/01/1071909801.db2.gz NPTLLFNNAFBNBK-KRWDZBQOSA-N 1 2 380.449 -0.946 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC001680734006 1071909794 /nfs/dbraw/zinc/90/97/94/1071909794.db2.gz NPTLLFNNAFBNBK-KRWDZBQOSA-N 1 2 380.449 -0.946 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC001680734007 1071909884 /nfs/dbraw/zinc/90/98/84/1071909884.db2.gz NPTLLFNNAFBNBK-QGZVFWFLSA-N 1 2 380.449 -0.946 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC001680734007 1071909877 /nfs/dbraw/zinc/90/98/77/1071909877.db2.gz NPTLLFNNAFBNBK-QGZVFWFLSA-N 1 2 380.449 -0.946 20 0 GBADLO O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001680776429 1071909849 /nfs/dbraw/zinc/90/98/49/1071909849.db2.gz APTUTIQGDHFUCP-BFYDXBDKSA-N 1 2 387.502 -0.161 20 0 GBADLO O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001680776430 1071910238 /nfs/dbraw/zinc/91/02/38/1071910238.db2.gz APTUTIQGDHFUCP-HLLBOEOZSA-N 1 2 387.502 -0.161 20 0 GBADLO O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001680776431 1071909965 /nfs/dbraw/zinc/90/99/65/1071909965.db2.gz APTUTIQGDHFUCP-INMHGKMJSA-N 1 2 387.502 -0.161 20 0 GBADLO O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001680776432 1071910065 /nfs/dbraw/zinc/91/00/65/1071910065.db2.gz APTUTIQGDHFUCP-VYDXJSESSA-N 1 2 387.502 -0.161 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001680896913 1071913793 /nfs/dbraw/zinc/91/37/93/1071913793.db2.gz IIENEWCZDYXQIB-LVOIYLQLSA-N 1 2 376.457 -0.038 20 0 GBADLO Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001680896914 1071913682 /nfs/dbraw/zinc/91/36/82/1071913682.db2.gz IIENEWCZDYXQIB-ROZZDCJJSA-N 1 2 376.457 -0.038 20 0 GBADLO CN1C(=O)N=NC1CNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC001680922722 1071913647 /nfs/dbraw/zinc/91/36/47/1071913647.db2.gz YMPHQSLBJVMCFH-GJZGRUSLSA-N 1 2 399.455 -0.081 20 0 GBADLO COCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)[C@H]1OCCO[C@H]1C ZINC001681099013 1071917098 /nfs/dbraw/zinc/91/70/98/1071917098.db2.gz QJBOLIZGDUWFKR-NHIYQJMISA-N 1 2 380.445 -0.092 20 0 GBADLO COCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)[C@H]1OCCO[C@H]1C ZINC001681099013 1071917090 /nfs/dbraw/zinc/91/70/90/1071917090.db2.gz QJBOLIZGDUWFKR-NHIYQJMISA-N 1 2 380.445 -0.092 20 0 GBADLO COC(=O)c1cn(C)nc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001681121520 1071917752 /nfs/dbraw/zinc/91/77/52/1071917752.db2.gz UVNFFXAADFJTKI-UHFFFAOYSA-N 1 2 387.462 -0.163 20 0 GBADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001681278838 1071918656 /nfs/dbraw/zinc/91/86/56/1071918656.db2.gz MQCJDFYVFHHSAG-AWEZNQCLSA-N 1 2 390.506 -0.781 20 0 GBADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)C1CCOCC1 ZINC001681278838 1071918654 /nfs/dbraw/zinc/91/86/54/1071918654.db2.gz MQCJDFYVFHHSAG-AWEZNQCLSA-N 1 2 390.506 -0.781 20 0 GBADLO CS(=O)(=O)C[C@H](O)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001681339023 1071919464 /nfs/dbraw/zinc/91/94/64/1071919464.db2.gz SFOGTWLTOWXXBP-CVEARBPZSA-N 1 2 385.486 -0.408 20 0 GBADLO CS(=O)(=O)C[C@H](O)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001681339023 1071919456 /nfs/dbraw/zinc/91/94/56/1071919456.db2.gz SFOGTWLTOWXXBP-CVEARBPZSA-N 1 2 385.486 -0.408 20 0 GBADLO CS(=O)(=O)C[C@@H](O)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001681339045 1071919641 /nfs/dbraw/zinc/91/96/41/1071919641.db2.gz SFOGTWLTOWXXBP-HOTGVXAUSA-N 1 2 385.486 -0.408 20 0 GBADLO CS(=O)(=O)C[C@@H](O)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001681339045 1071919632 /nfs/dbraw/zinc/91/96/32/1071919632.db2.gz SFOGTWLTOWXXBP-HOTGVXAUSA-N 1 2 385.486 -0.408 20 0 GBADLO CS(=O)(=O)C[C@H](O)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001681339047 1071919486 /nfs/dbraw/zinc/91/94/86/1071919486.db2.gz SFOGTWLTOWXXBP-HZPDHXFCSA-N 1 2 385.486 -0.408 20 0 GBADLO CS(=O)(=O)C[C@H](O)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001681339047 1071919479 /nfs/dbraw/zinc/91/94/79/1071919479.db2.gz SFOGTWLTOWXXBP-HZPDHXFCSA-N 1 2 385.486 -0.408 20 0 GBADLO CS(=O)(=O)C[C@@H](O)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001681339049 1071919696 /nfs/dbraw/zinc/91/96/96/1071919696.db2.gz SFOGTWLTOWXXBP-JKSUJKDBSA-N 1 2 385.486 -0.408 20 0 GBADLO CS(=O)(=O)C[C@@H](O)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001681339049 1071919686 /nfs/dbraw/zinc/91/96/86/1071919686.db2.gz SFOGTWLTOWXXBP-JKSUJKDBSA-N 1 2 385.486 -0.408 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001681385136 1071920299 /nfs/dbraw/zinc/92/02/99/1071920299.db2.gz IJQFVKPZQHIDKH-CABCVRRESA-N 1 2 397.497 -0.108 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001681385137 1071920361 /nfs/dbraw/zinc/92/03/61/1071920361.db2.gz IJQFVKPZQHIDKH-GJZGRUSLSA-N 1 2 397.497 -0.108 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001681385138 1071920091 /nfs/dbraw/zinc/92/00/91/1071920091.db2.gz IJQFVKPZQHIDKH-HUUCEWRRSA-N 1 2 397.497 -0.108 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001681385139 1071920125 /nfs/dbraw/zinc/92/01/25/1071920125.db2.gz IJQFVKPZQHIDKH-LSDHHAIUSA-N 1 2 397.497 -0.108 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CCC(CS(C)(=O)=O)CC1 ZINC001681430391 1071920559 /nfs/dbraw/zinc/92/05/59/1071920559.db2.gz OCQMGKHAVWIIJP-GPANFISMSA-N 1 2 391.534 -0.076 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CCC(CS(C)(=O)=O)CC1 ZINC001681430394 1071920316 /nfs/dbraw/zinc/92/03/16/1071920316.db2.gz OCQMGKHAVWIIJP-UYSNPLJNSA-N 1 2 391.534 -0.076 20 0 GBADLO C[C@@H](CNC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCN(C)CC1 ZINC001681485479 1071921405 /nfs/dbraw/zinc/92/14/05/1071921405.db2.gz PYQFOKBOCYMRGO-AWEZNQCLSA-N 1 2 383.518 -0.188 20 0 GBADLO C[C@H](CNC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCN(C)CC1 ZINC001681485480 1071921154 /nfs/dbraw/zinc/92/11/54/1071921154.db2.gz PYQFOKBOCYMRGO-CQSZACIVSA-N 1 2 383.518 -0.188 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]1CO ZINC001681525797 1071921229 /nfs/dbraw/zinc/92/12/29/1071921229.db2.gz XDNZITIOBXVMGN-AWEZNQCLSA-N 1 2 383.474 -0.690 20 0 GBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]1CO ZINC001681525798 1071921017 /nfs/dbraw/zinc/92/10/17/1071921017.db2.gz XDNZITIOBXVMGN-CQSZACIVSA-N 1 2 383.474 -0.690 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCC2CS(=O)(=O)C2)CC1 ZINC001681663377 1071923129 /nfs/dbraw/zinc/92/31/29/1071923129.db2.gz PKVLRKAQZKKIIE-UHFFFAOYSA-N 1 2 393.473 -0.370 20 0 GBADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCc3cn(C)c[nH+]3)CC2)cn1C ZINC001681838692 1071925267 /nfs/dbraw/zinc/92/52/67/1071925267.db2.gz NXIWLYSQIKUDCA-UHFFFAOYSA-N 1 2 395.489 -0.279 20 0 GBADLO CCOC1CC(CNC(=O)NCCCCS(N)(=O)=O)([NH+]2CCOCC2)C1 ZINC001681962601 1071926816 /nfs/dbraw/zinc/92/68/16/1071926816.db2.gz CJTIFXOFNYENFO-UHFFFAOYSA-N 1 2 392.522 -0.376 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)O1 ZINC001681978826 1071926793 /nfs/dbraw/zinc/92/67/93/1071926793.db2.gz SPONYZYSLYDSQR-RJZRQDKASA-N 1 2 389.456 -0.051 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)O1 ZINC001681978826 1071926783 /nfs/dbraw/zinc/92/67/83/1071926783.db2.gz SPONYZYSLYDSQR-RJZRQDKASA-N 1 2 389.456 -0.051 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1nnc2n1CCOC2 ZINC001682011400 1071927672 /nfs/dbraw/zinc/92/76/72/1071927672.db2.gz OZVKAHKXLMPWBJ-KRWDZBQOSA-N 1 2 380.449 -0.777 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1nnc2n1CCOC2 ZINC001682011400 1071927667 /nfs/dbraw/zinc/92/76/67/1071927667.db2.gz OZVKAHKXLMPWBJ-KRWDZBQOSA-N 1 2 380.449 -0.777 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1nnc2n1CCOC2 ZINC001682011401 1071927519 /nfs/dbraw/zinc/92/75/19/1071927519.db2.gz OZVKAHKXLMPWBJ-QGZVFWFLSA-N 1 2 380.449 -0.777 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1nnc2n1CCOC2 ZINC001682011401 1071927515 /nfs/dbraw/zinc/92/75/15/1071927515.db2.gz OZVKAHKXLMPWBJ-QGZVFWFLSA-N 1 2 380.449 -0.777 20 0 GBADLO O=C(NCc1n[nH]c(-c2ccncc2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001682093313 1071928270 /nfs/dbraw/zinc/92/82/70/1071928270.db2.gz MNLBVMMVZUEXNA-KBXCAEBGSA-N 1 2 387.444 -0.108 20 0 GBADLO O=C(NCc1n[nH]c(-c2ccncc2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001682093313 1071928267 /nfs/dbraw/zinc/92/82/67/1071928267.db2.gz MNLBVMMVZUEXNA-KBXCAEBGSA-N 1 2 387.444 -0.108 20 0 GBADLO O=C(NCc1nnc(-c2ccncc2)[nH]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001682093313 1071928257 /nfs/dbraw/zinc/92/82/57/1071928257.db2.gz MNLBVMMVZUEXNA-KBXCAEBGSA-N 1 2 387.444 -0.108 20 0 GBADLO O=C(NCc1nnc(-c2ccncc2)[nH]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001682093313 1071928254 /nfs/dbraw/zinc/92/82/54/1071928254.db2.gz MNLBVMMVZUEXNA-KBXCAEBGSA-N 1 2 387.444 -0.108 20 0 GBADLO CCOC1CC(CNC(=O)N2CC(O)(c3ncnn3C)C2)([NH+]2CCOCC2)C1 ZINC001682173890 1071929215 /nfs/dbraw/zinc/92/92/15/1071929215.db2.gz OYBTVUWCLLXLSR-UHFFFAOYSA-N 1 2 394.476 -0.702 20 0 GBADLO CCOC1CC(CNC(=O)NCCN2CCNC2=S)([NH+]2CCOCC2)C1 ZINC001682177954 1071928967 /nfs/dbraw/zinc/92/89/67/1071928967.db2.gz AFFKUBCEGJJPQA-UHFFFAOYSA-N 1 2 385.534 -0.254 20 0 GBADLO CCOC1CC(CNC(=O)NC[C@@H](O)Cn2ccnn2)([NH+]2CCOCC2)C1 ZINC001682180501 1071929136 /nfs/dbraw/zinc/92/91/36/1071929136.db2.gz OLSULBGGYALQPI-HPUBIQBYSA-N 1 2 382.465 -0.792 20 0 GBADLO CCOC1CC(CNC(=O)NC[C@H](O)Cn2ccnn2)([NH+]2CCOCC2)C1 ZINC001682180502 1071928990 /nfs/dbraw/zinc/92/89/90/1071928990.db2.gz OLSULBGGYALQPI-UQPPLGOBSA-N 1 2 382.465 -0.792 20 0 GBADLO C[C@@H](CNC(=O)NCc1cccc(CS(N)(=O)=O)c1)[NH+]1CCN(C)CC1 ZINC001682250836 1071930821 /nfs/dbraw/zinc/93/08/21/1071930821.db2.gz GBUCYILVTZUZRW-AWEZNQCLSA-N 1 2 383.518 -0.090 20 0 GBADLO C[C@H](CNC(=O)NCc1cccc(CS(N)(=O)=O)c1)[NH+]1CCN(C)CC1 ZINC001682250837 1071930584 /nfs/dbraw/zinc/93/05/84/1071930584.db2.gz GBUCYILVTZUZRW-CQSZACIVSA-N 1 2 383.518 -0.090 20 0 GBADLO CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001682456145 1071933873 /nfs/dbraw/zinc/93/38/73/1071933873.db2.gz HIVBCKVOAMQBCV-QHSBEEBCSA-N 1 2 391.472 -0.247 20 0 GBADLO CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001682456145 1071933869 /nfs/dbraw/zinc/93/38/69/1071933869.db2.gz HIVBCKVOAMQBCV-QHSBEEBCSA-N 1 2 391.472 -0.247 20 0 GBADLO O=C(CCCNC(=O)C1CC1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001682487385 1071934318 /nfs/dbraw/zinc/93/43/18/1071934318.db2.gz ALRXTGPVTUXFAN-RRCSTGOVSA-N 1 2 389.456 -0.493 20 0 GBADLO O=C(CCCNC(=O)C1CC1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001682487385 1071934312 /nfs/dbraw/zinc/93/43/12/1071934312.db2.gz ALRXTGPVTUXFAN-RRCSTGOVSA-N 1 2 389.456 -0.493 20 0 GBADLO Cn1cc(CCC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)cn1 ZINC001682488494 1071934676 /nfs/dbraw/zinc/93/46/76/1071934676.db2.gz UKRXIJURRXLBCQ-KCYZZUKISA-N 1 2 386.456 -0.422 20 0 GBADLO COCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CCOCC1 ZINC001682515050 1071935351 /nfs/dbraw/zinc/93/53/51/1071935351.db2.gz MMXQFFGWDXXTTE-RRCSTGOVSA-N 1 2 392.456 -0.356 20 0 GBADLO COCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CCOCC1 ZINC001682515050 1071935346 /nfs/dbraw/zinc/93/53/46/1071935346.db2.gz MMXQFFGWDXXTTE-RRCSTGOVSA-N 1 2 392.456 -0.356 20 0 GBADLO O=C(COCc1cccnc1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001682515693 1071935315 /nfs/dbraw/zinc/93/53/15/1071935315.db2.gz WVQKCOQVNPGRDZ-MUIFIZLQSA-N 1 2 385.424 -0.187 20 0 GBADLO O=C(COCc1cccnc1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001682515693 1071935312 /nfs/dbraw/zinc/93/53/12/1071935312.db2.gz WVQKCOQVNPGRDZ-MUIFIZLQSA-N 1 2 385.424 -0.187 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC001682523575 1071935372 /nfs/dbraw/zinc/93/53/72/1071935372.db2.gz ZDKMRPXFJFOGQX-CYBMUJFWSA-N 1 2 375.433 -0.299 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1nc(-c2ccccn2)n[nH]1 ZINC001682523576 1071935277 /nfs/dbraw/zinc/93/52/77/1071935277.db2.gz ZDKMRPXFJFOGQX-ZDUSSCGKSA-N 1 2 375.433 -0.299 20 0 GBADLO O=C(Nc1ccccc1)C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001682532659 1071936119 /nfs/dbraw/zinc/93/61/19/1071936119.db2.gz CSEQIGXIPFIAKF-RRCSTGOVSA-N 1 2 383.408 -0.160 20 0 GBADLO O=C(Nc1ccccc1)C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001682532659 1071936110 /nfs/dbraw/zinc/93/61/10/1071936110.db2.gz CSEQIGXIPFIAKF-RRCSTGOVSA-N 1 2 383.408 -0.160 20 0 GBADLO CCNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001682561522 1071936372 /nfs/dbraw/zinc/93/63/72/1071936372.db2.gz BKQYCOZAXAZZGF-IXYNUQLISA-N 1 2 391.472 -0.482 20 0 GBADLO Cc1noc(CCC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)n1 ZINC001682580547 1071936851 /nfs/dbraw/zinc/93/68/51/1071936851.db2.gz FXPNBQBIWFWVEI-RGCMKSIDSA-N 1 2 388.428 -0.464 20 0 GBADLO O=C(COCc1cccnc1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001682581269 1071936787 /nfs/dbraw/zinc/93/67/87/1071936787.db2.gz QHPSOABCFGNCIZ-MUIFIZLQSA-N 1 2 385.424 -0.187 20 0 GBADLO O=C(COCc1cccnc1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001682581269 1071936782 /nfs/dbraw/zinc/93/67/82/1071936782.db2.gz QHPSOABCFGNCIZ-MUIFIZLQSA-N 1 2 385.424 -0.187 20 0 GBADLO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001682581338 1071936989 /nfs/dbraw/zinc/93/69/89/1071936989.db2.gz UIIXTFACUJHRHC-QHSBEEBCSA-N 1 2 391.472 -0.247 20 0 GBADLO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001682581338 1071936984 /nfs/dbraw/zinc/93/69/84/1071936984.db2.gz UIIXTFACUJHRHC-QHSBEEBCSA-N 1 2 391.472 -0.247 20 0 GBADLO CC(=O)N(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001682669294 1071938434 /nfs/dbraw/zinc/93/84/34/1071938434.db2.gz CHOWWWQFNUNUFE-KCYZZUKISA-N 1 2 391.472 -0.530 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1O ZINC001682669628 1071938466 /nfs/dbraw/zinc/93/84/66/1071938466.db2.gz FUCYNKJAVILOCR-IXYNUQLISA-N 1 2 389.456 -0.872 20 0 GBADLO COCCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001682669678 1071938397 /nfs/dbraw/zinc/93/83/97/1071938397.db2.gz HZWWZAKROWBYFB-IXYNUQLISA-N 1 2 380.445 -0.735 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1O ZINC001682670355 1071938299 /nfs/dbraw/zinc/93/82/99/1071938299.db2.gz ODAVLDGVYUFORN-HKUMRIAESA-N 1 2 386.399 -0.117 20 0 GBADLO CCOCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001682670662 1071938449 /nfs/dbraw/zinc/93/84/49/1071938449.db2.gz UXHIOOSIPWBHRW-IXYNUQLISA-N 1 2 380.445 -0.735 20 0 GBADLO CCNC(=O)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001682670705 1071938622 /nfs/dbraw/zinc/93/86/22/1071938622.db2.gz WTXYHBCEPAIEGG-RGCMKSIDSA-N 1 2 377.445 -0.872 20 0 GBADLO COc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cc1S(N)(=O)=O ZINC001682877857 1071941707 /nfs/dbraw/zinc/94/17/07/1071941707.db2.gz YHETVHPQLIYZIN-CYBMUJFWSA-N 1 2 399.517 -0.222 20 0 GBADLO COc1ccc(CNC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cc1S(N)(=O)=O ZINC001682877858 1071941281 /nfs/dbraw/zinc/94/12/81/1071941281.db2.gz YHETVHPQLIYZIN-ZDUSSCGKSA-N 1 2 399.517 -0.222 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCCS(N)(=O)=O)CC1 ZINC001682904202 1071941699 /nfs/dbraw/zinc/94/16/99/1071941699.db2.gz FNUVVEDZXISIGH-UHFFFAOYSA-N 1 2 396.477 -0.736 20 0 GBADLO COCC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001682943025 1071942321 /nfs/dbraw/zinc/94/23/21/1071942321.db2.gz QHDGZMMWWATBHE-RGCMKSIDSA-N 1 2 377.445 -0.419 20 0 GBADLO COCC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001682943025 1071942312 /nfs/dbraw/zinc/94/23/12/1071942312.db2.gz QHDGZMMWWATBHE-RGCMKSIDSA-N 1 2 377.445 -0.419 20 0 GBADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1NC(=O)CCn1ncn(C)c1=O ZINC001682988500 1071942268 /nfs/dbraw/zinc/94/22/68/1071942268.db2.gz FIBHHMIOWAJKRJ-RGCMKSIDSA-N 1 2 387.444 -0.538 20 0 GBADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1NC(=O)CCn1ncn(C)c1=O ZINC001682988500 1071942264 /nfs/dbraw/zinc/94/22/64/1071942264.db2.gz FIBHHMIOWAJKRJ-RGCMKSIDSA-N 1 2 387.444 -0.538 20 0 GBADLO Cn1c[nH+]c(CCNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 ZINC001683006283 1071942935 /nfs/dbraw/zinc/94/29/35/1071942935.db2.gz XPOIDODCNRGVMK-UHFFFAOYSA-N 1 2 382.446 -0.192 20 0 GBADLO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001683028728 1071943797 /nfs/dbraw/zinc/94/37/97/1071943797.db2.gz ILVYLILDZVOKLE-REBRKWNGSA-N 1 2 377.445 -0.651 20 0 GBADLO COCC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001683097498 1071944805 /nfs/dbraw/zinc/94/48/05/1071944805.db2.gz WNEAJGDWDUAVOE-KBUPBQIOSA-N 1 2 391.472 -0.409 20 0 GBADLO CCn1cc(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(=O)[nH]c1=O ZINC001683109619 1071944754 /nfs/dbraw/zinc/94/47/54/1071944754.db2.gz FRFSBKQBGJFALE-KRWDZBQOSA-N 1 2 397.501 -0.024 20 0 GBADLO CCn1cc(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(=O)[nH]c1=O ZINC001683109620 1071944664 /nfs/dbraw/zinc/94/46/64/1071944664.db2.gz FRFSBKQBGJFALE-QGZVFWFLSA-N 1 2 397.501 -0.024 20 0 GBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCS(=O)(=O)C2CC2)CC1 ZINC001683166032 1071946071 /nfs/dbraw/zinc/94/60/71/1071946071.db2.gz JBBKKUGWAXLPNL-UHFFFAOYSA-N 1 2 393.473 -0.228 20 0 GBADLO CCC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1OC ZINC001683177988 1071946473 /nfs/dbraw/zinc/94/64/73/1071946473.db2.gz ASYLLTRJEUSPPV-RGCMKSIDSA-N 1 2 377.445 -0.608 20 0 GBADLO CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1NC(=O)CCn1ccnn1 ZINC001683199154 1071946994 /nfs/dbraw/zinc/94/69/94/1071946994.db2.gz SKQMNYQOOFXBSQ-IXYNUQLISA-N 1 2 387.444 -0.453 20 0 GBADLO CNC(=O)CCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001683254004 1071947771 /nfs/dbraw/zinc/94/77/71/1071947771.db2.gz HMGCNMASHDTTTI-QHSBEEBCSA-N 1 2 377.445 -0.229 20 0 GBADLO CNC(=O)CCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001683254004 1071947756 /nfs/dbraw/zinc/94/77/56/1071947756.db2.gz HMGCNMASHDTTTI-QHSBEEBCSA-N 1 2 377.445 -0.229 20 0 GBADLO CO[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001683254956 1071947997 /nfs/dbraw/zinc/94/79/97/1071947997.db2.gz VPAUZPOVWWMURT-QHSBEEBCSA-N 1 2 377.445 -0.099 20 0 GBADLO CO[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001683254956 1071947990 /nfs/dbraw/zinc/94/79/90/1071947990.db2.gz VPAUZPOVWWMURT-QHSBEEBCSA-N 1 2 377.445 -0.099 20 0 GBADLO CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1NC(=O)C(C)(C)NC(C)=O ZINC001683269035 1071948640 /nfs/dbraw/zinc/94/86/40/1071948640.db2.gz MYFOFCUQFVBYPO-IXYNUQLISA-N 1 2 391.472 -0.220 20 0 GBADLO CO[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001683290034 1071949117 /nfs/dbraw/zinc/94/91/17/1071949117.db2.gz RTQZSTKWULZWRT-CRNXPOROSA-N 1 2 380.445 -0.501 20 0 GBADLO CO[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001683333922 1071949882 /nfs/dbraw/zinc/94/98/82/1071949882.db2.gz AEJWSTRTOSPPSE-IXYNUQLISA-N 1 2 389.456 -0.608 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccnc(-n2cncn2)c1 ZINC001683354464 1071950465 /nfs/dbraw/zinc/95/04/65/1071950465.db2.gz FFBXBQMXUYQLMX-HNNXBMFYSA-N 1 2 375.433 -0.503 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccnc(-n2cncn2)c1 ZINC001683354465 1071950898 /nfs/dbraw/zinc/95/08/98/1071950898.db2.gz FFBXBQMXUYQLMX-OAHLLOKOSA-N 1 2 375.433 -0.503 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001683362896 1071950549 /nfs/dbraw/zinc/95/05/49/1071950549.db2.gz CZEHOQNRSYNWEP-AWEZNQCLSA-N 1 2 378.495 -0.942 20 0 GBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001683362897 1071950861 /nfs/dbraw/zinc/95/08/61/1071950861.db2.gz CZEHOQNRSYNWEP-CQSZACIVSA-N 1 2 378.495 -0.942 20 0 GBADLO O=C(CCNC(=O)N1C[C@H](O)[C@@H](CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001683372920 1071950560 /nfs/dbraw/zinc/95/05/60/1071950560.db2.gz NVRILTBULRMVGZ-CABCVRRESA-N 1 2 377.445 -0.885 20 0 GBADLO O=C(CCNC(=O)N1C[C@H](O)[C@H](CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001683372921 1071950873 /nfs/dbraw/zinc/95/08/73/1071950873.db2.gz NVRILTBULRMVGZ-GJZGRUSLSA-N 1 2 377.445 -0.885 20 0 GBADLO O=C(CCNC(=O)N1C[C@H](CO)[C@H](O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001683372922 1071950727 /nfs/dbraw/zinc/95/07/27/1071950727.db2.gz NVRILTBULRMVGZ-HUUCEWRRSA-N 1 2 377.445 -0.885 20 0 GBADLO O=C(CCNC(=O)N1C[C@@H](O)[C@H](CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001683372924 1071950593 /nfs/dbraw/zinc/95/05/93/1071950593.db2.gz NVRILTBULRMVGZ-LSDHHAIUSA-N 1 2 377.445 -0.885 20 0 GBADLO CC(C)(CNC(=O)N1CC[NH+](CCc2cnccn2)CC1)CS(N)(=O)=O ZINC001683422410 1071951676 /nfs/dbraw/zinc/95/16/76/1071951676.db2.gz RTKXTXDQSVKYJQ-UHFFFAOYSA-N 1 2 384.506 -0.339 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001683431425 1071951738 /nfs/dbraw/zinc/95/17/38/1071951738.db2.gz OPBUWYUYNVIZMX-CXAGYDPISA-N 1 2 379.465 -0.707 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001683431425 1071951727 /nfs/dbraw/zinc/95/17/27/1071951727.db2.gz OPBUWYUYNVIZMX-CXAGYDPISA-N 1 2 379.465 -0.707 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001683431426 1071951543 /nfs/dbraw/zinc/95/15/43/1071951543.db2.gz OPBUWYUYNVIZMX-DYVFJYSZSA-N 1 2 379.465 -0.707 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001683431426 1071951537 /nfs/dbraw/zinc/95/15/37/1071951537.db2.gz OPBUWYUYNVIZMX-DYVFJYSZSA-N 1 2 379.465 -0.707 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CCc2nnnn2CC1 ZINC001683431427 1071951485 /nfs/dbraw/zinc/95/14/85/1071951485.db2.gz OPBUWYUYNVIZMX-GUYCJALGSA-N 1 2 379.465 -0.707 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CCc2nnnn2CC1 ZINC001683431427 1071951477 /nfs/dbraw/zinc/95/14/77/1071951477.db2.gz OPBUWYUYNVIZMX-GUYCJALGSA-N 1 2 379.465 -0.707 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCc2nnnn2CC1 ZINC001683431428 1071951448 /nfs/dbraw/zinc/95/14/48/1071951448.db2.gz OPBUWYUYNVIZMX-SUMWQHHRSA-N 1 2 379.465 -0.707 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCc2nnnn2CC1 ZINC001683431428 1071951441 /nfs/dbraw/zinc/95/14/41/1071951441.db2.gz OPBUWYUYNVIZMX-SUMWQHHRSA-N 1 2 379.465 -0.707 20 0 GBADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC(S(N)(=O)=O)C3)C2)c1 ZINC001683465033 1071952939 /nfs/dbraw/zinc/95/29/39/1071952939.db2.gz SIYQDWQRWZLNII-HNNXBMFYSA-N 1 2 382.486 -0.122 20 0 GBADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC(S(N)(=O)=O)C3)C2)c1 ZINC001683465033 1071952934 /nfs/dbraw/zinc/95/29/34/1071952934.db2.gz SIYQDWQRWZLNII-HNNXBMFYSA-N 1 2 382.486 -0.122 20 0 GBADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC(S(N)(=O)=O)C3)C2)c1 ZINC001683465034 1071953113 /nfs/dbraw/zinc/95/31/13/1071953113.db2.gz SIYQDWQRWZLNII-OAHLLOKOSA-N 1 2 382.486 -0.122 20 0 GBADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC(S(N)(=O)=O)C3)C2)c1 ZINC001683465034 1071953106 /nfs/dbraw/zinc/95/31/06/1071953106.db2.gz SIYQDWQRWZLNII-OAHLLOKOSA-N 1 2 382.486 -0.122 20 0 GBADLO CCN(CC)C(=O)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC001683495436 1071953696 /nfs/dbraw/zinc/95/36/96/1071953696.db2.gz NAXCULOCLBGPNQ-XOUADPBQSA-N 1 2 391.472 -0.150 20 0 GBADLO CCN(CC)C(=O)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC001683495436 1071953689 /nfs/dbraw/zinc/95/36/89/1071953689.db2.gz NAXCULOCLBGPNQ-XOUADPBQSA-N 1 2 391.472 -0.150 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](O)C1 ZINC001683503216 1071954658 /nfs/dbraw/zinc/95/46/58/1071954658.db2.gz HPRZNUQAFRALSP-ANQUJSFKSA-N 1 2 386.456 -0.422 20 0 GBADLO CC(=O)NCCCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001683541906 1071955227 /nfs/dbraw/zinc/95/52/27/1071955227.db2.gz CCQYXYZETIWZKT-SRABZTEZSA-N 1 2 391.472 -0.102 20 0 GBADLO CC(=O)NCCCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001683541906 1071955222 /nfs/dbraw/zinc/95/52/22/1071955222.db2.gz CCQYXYZETIWZKT-SRABZTEZSA-N 1 2 391.472 -0.102 20 0 GBADLO CCCS(=O)(=O)CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001683542211 1071955267 /nfs/dbraw/zinc/95/52/67/1071955267.db2.gz NNMFLDVPVUMORD-OXHZDVMGSA-N 1 2 384.458 -0.974 20 0 GBADLO CCCS(=O)(=O)CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001683542211 1071955263 /nfs/dbraw/zinc/95/52/63/1071955263.db2.gz NNMFLDVPVUMORD-OXHZDVMGSA-N 1 2 384.458 -0.974 20 0 GBADLO COCCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1O ZINC001683546671 1071955235 /nfs/dbraw/zinc/95/52/35/1071955235.db2.gz KWXPGYFGDNEKEN-KQTLUZQSSA-N 1 2 380.445 -0.735 20 0 GBADLO O=C(Nc1ccccc1)C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC001683561979 1071956097 /nfs/dbraw/zinc/95/60/97/1071956097.db2.gz CSEQIGXIPFIAKF-XOUADPBQSA-N 1 2 383.408 -0.160 20 0 GBADLO O=C(Nc1ccccc1)C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC001683561979 1071956095 /nfs/dbraw/zinc/95/60/95/1071956095.db2.gz CSEQIGXIPFIAKF-XOUADPBQSA-N 1 2 383.408 -0.160 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CN(c2ccncn2)C1 ZINC001683580928 1071956167 /nfs/dbraw/zinc/95/61/67/1071956167.db2.gz CCOWOKDFNORKHH-GOSISDBHSA-N 1 2 376.461 -0.420 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CN(c2ccncn2)C1 ZINC001683580928 1071956164 /nfs/dbraw/zinc/95/61/64/1071956164.db2.gz CCOWOKDFNORKHH-GOSISDBHSA-N 1 2 376.461 -0.420 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CN(c2ccncn2)C1 ZINC001683580932 1071956126 /nfs/dbraw/zinc/95/61/26/1071956126.db2.gz CCOWOKDFNORKHH-SFHVURJKSA-N 1 2 376.461 -0.420 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CN(c2ccncn2)C1 ZINC001683580932 1071956121 /nfs/dbraw/zinc/95/61/21/1071956121.db2.gz CCOWOKDFNORKHH-SFHVURJKSA-N 1 2 376.461 -0.420 20 0 GBADLO CC(C)NC(=O)CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC001683589853 1071956991 /nfs/dbraw/zinc/95/69/91/1071956991.db2.gz HFWUGLKIKOHPPS-XOUADPBQSA-N 1 2 391.472 -0.104 20 0 GBADLO CC(C)NC(=O)CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC001683589853 1071956979 /nfs/dbraw/zinc/95/69/79/1071956979.db2.gz HFWUGLKIKOHPPS-XOUADPBQSA-N 1 2 391.472 -0.104 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001683595247 1071957067 /nfs/dbraw/zinc/95/70/67/1071957067.db2.gz WGOPGIGOMNFBRS-GFCCVEGCSA-N 1 2 381.433 -0.911 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1nc2c(c(=O)[nH]1)COCC2 ZINC001683595248 1071957224 /nfs/dbraw/zinc/95/72/24/1071957224.db2.gz WGOPGIGOMNFBRS-LBPRGKRZSA-N 1 2 381.433 -0.911 20 0 GBADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@@H]1O ZINC001683614788 1071957684 /nfs/dbraw/zinc/95/76/84/1071957684.db2.gz ICRKMYJTRCTTTP-GJRWTSMGSA-N 1 2 376.457 0.000 20 0 GBADLO Cn1ccnc1CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1O ZINC001683615136 1071958005 /nfs/dbraw/zinc/95/80/05/1071958005.db2.gz QYJIQEZQLLDSSA-KQTLUZQSSA-N 1 2 386.456 -0.422 20 0 GBADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1O ZINC001683615177 1071958036 /nfs/dbraw/zinc/95/80/36/1071958036.db2.gz TUWBQDZRVYRHGX-LJDUOBFASA-N 1 2 376.457 -0.144 20 0 GBADLO CCOC1CC(CNC(=O)NCCCS(N)(=O)=O)([NH+]2CCOCC2)C1 ZINC001683658946 1071958567 /nfs/dbraw/zinc/95/85/67/1071958567.db2.gz WRNTZJWOJVJRPM-UHFFFAOYSA-N 1 2 378.495 -0.766 20 0 GBADLO CCNc1cc(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc[nH+]1 ZINC001683664638 1071958916 /nfs/dbraw/zinc/95/89/16/1071958916.db2.gz AELCNJFBIILJAC-UHFFFAOYSA-N 1 2 384.506 -0.110 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)CCCn2cncn2)[C@@H](O)C1 ZINC001683680045 1071959406 /nfs/dbraw/zinc/95/94/06/1071959406.db2.gz FEMUQAIXTLQTFD-KQTLUZQSSA-N 1 2 387.444 -0.717 20 0 GBADLO CN(CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1)C(=O)C1CC1 ZINC001683705295 1071960328 /nfs/dbraw/zinc/96/03/28/1071960328.db2.gz FRPRJOIYXHZARG-KQTLUZQSSA-N 1 2 389.456 -0.920 20 0 GBADLO CNC(=O)C1(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)CCC1 ZINC001683705603 1071960499 /nfs/dbraw/zinc/96/04/99/1071960499.db2.gz SPOITTCSXCMHNV-BHPKHCPMSA-N 1 2 389.456 -0.872 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(NC(N)=O)CC3)[C@@H]2C1 ZINC001683765915 1071961711 /nfs/dbraw/zinc/96/17/11/1071961711.db2.gz VUQIKWJQWOCKMW-RGCMKSIDSA-N 1 2 386.456 -0.216 20 0 GBADLO COC(=O)NCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001683886982 1071963419 /nfs/dbraw/zinc/96/34/19/1071963419.db2.gz ZOQDMQHMJBCPOH-RGCMKSIDSA-N 1 2 375.429 -0.061 20 0 GBADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001683995553 1071965404 /nfs/dbraw/zinc/96/54/04/1071965404.db2.gz AUMBDRSQUZZCSW-GJZGRUSLSA-N 1 2 386.518 -0.065 20 0 GBADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001683995553 1071965402 /nfs/dbraw/zinc/96/54/02/1071965402.db2.gz AUMBDRSQUZZCSW-GJZGRUSLSA-N 1 2 386.518 -0.065 20 0 GBADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001683995554 1071965427 /nfs/dbraw/zinc/96/54/27/1071965427.db2.gz AUMBDRSQUZZCSW-LSDHHAIUSA-N 1 2 386.518 -0.065 20 0 GBADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001683995554 1071965424 /nfs/dbraw/zinc/96/54/24/1071965424.db2.gz AUMBDRSQUZZCSW-LSDHHAIUSA-N 1 2 386.518 -0.065 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O ZINC001684017485 1071965965 /nfs/dbraw/zinc/96/59/65/1071965965.db2.gz VEIDKOMBZYEYNO-AWEZNQCLSA-N 1 2 397.476 -0.462 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cn(C(C)(C)C)c(=O)[nH]c1=O ZINC001684017486 1071966102 /nfs/dbraw/zinc/96/61/02/1071966102.db2.gz VEIDKOMBZYEYNO-CQSZACIVSA-N 1 2 397.476 -0.462 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC1 ZINC001684022326 1071966848 /nfs/dbraw/zinc/96/68/48/1071966848.db2.gz HHQFOEODHYZXPF-GUYCJALGSA-N 1 2 386.518 -0.208 20 0 GBADLO CNC(=O)N[C@@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001684022561 1071966624 /nfs/dbraw/zinc/96/66/24/1071966624.db2.gz NUFJIACRNXIBRZ-CYBMUJFWSA-N 1 2 375.495 -0.792 20 0 GBADLO CNC(=O)N[C@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001684022562 1071966991 /nfs/dbraw/zinc/96/69/91/1071966991.db2.gz NUFJIACRNXIBRZ-ZDUSSCGKSA-N 1 2 375.495 -0.792 20 0 GBADLO CS(=O)(=O)Cc1nc(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)n[nH]1 ZINC001684091820 1071967836 /nfs/dbraw/zinc/96/78/36/1071967836.db2.gz FBXAKJMTHZDBES-GHMZBOCLSA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1nc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)n[nH]1 ZINC001684091820 1071967830 /nfs/dbraw/zinc/96/78/30/1071967830.db2.gz FBXAKJMTHZDBES-GHMZBOCLSA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)n1 ZINC001684091820 1071967822 /nfs/dbraw/zinc/96/78/22/1071967822.db2.gz FBXAKJMTHZDBES-GHMZBOCLSA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)n1 ZINC001684091820 1071967818 /nfs/dbraw/zinc/96/78/18/1071967818.db2.gz FBXAKJMTHZDBES-GHMZBOCLSA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1nc(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)n[nH]1 ZINC001684091822 1071967502 /nfs/dbraw/zinc/96/75/02/1071967502.db2.gz FBXAKJMTHZDBES-MNOVXSKESA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1nc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)n[nH]1 ZINC001684091822 1071967494 /nfs/dbraw/zinc/96/74/94/1071967494.db2.gz FBXAKJMTHZDBES-MNOVXSKESA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)n1 ZINC001684091822 1071967489 /nfs/dbraw/zinc/96/74/89/1071967489.db2.gz FBXAKJMTHZDBES-MNOVXSKESA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)n1 ZINC001684091822 1071967479 /nfs/dbraw/zinc/96/74/79/1071967479.db2.gz FBXAKJMTHZDBES-MNOVXSKESA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1nc(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)n[nH]1 ZINC001684091823 1071967652 /nfs/dbraw/zinc/96/76/52/1071967652.db2.gz FBXAKJMTHZDBES-QWRGUYRKSA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1nc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)n[nH]1 ZINC001684091823 1071967645 /nfs/dbraw/zinc/96/76/45/1071967645.db2.gz FBXAKJMTHZDBES-QWRGUYRKSA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)n1 ZINC001684091823 1071967637 /nfs/dbraw/zinc/96/76/37/1071967637.db2.gz FBXAKJMTHZDBES-QWRGUYRKSA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)n1 ZINC001684091823 1071967627 /nfs/dbraw/zinc/96/76/27/1071967627.db2.gz FBXAKJMTHZDBES-QWRGUYRKSA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1nc(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)n[nH]1 ZINC001684091824 1071967889 /nfs/dbraw/zinc/96/78/89/1071967889.db2.gz FBXAKJMTHZDBES-WDEREUQCSA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1nc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)n[nH]1 ZINC001684091824 1071967882 /nfs/dbraw/zinc/96/78/82/1071967882.db2.gz FBXAKJMTHZDBES-WDEREUQCSA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)n1 ZINC001684091824 1071967876 /nfs/dbraw/zinc/96/78/76/1071967876.db2.gz FBXAKJMTHZDBES-WDEREUQCSA-N 1 2 388.519 -0.272 20 0 GBADLO CS(=O)(=O)Cc1n[nH]c(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)n1 ZINC001684091824 1071967874 /nfs/dbraw/zinc/96/78/74/1071967874.db2.gz FBXAKJMTHZDBES-WDEREUQCSA-N 1 2 388.519 -0.272 20 0 GBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001684169584 1071969214 /nfs/dbraw/zinc/96/92/14/1071969214.db2.gz NUGJOAWEYAAMFR-CYBMUJFWSA-N 1 2 377.449 -0.620 20 0 GBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001684169584 1071969209 /nfs/dbraw/zinc/96/92/09/1071969209.db2.gz NUGJOAWEYAAMFR-CYBMUJFWSA-N 1 2 377.449 -0.620 20 0 GBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001684169585 1071969250 /nfs/dbraw/zinc/96/92/50/1071969250.db2.gz NUGJOAWEYAAMFR-ZDUSSCGKSA-N 1 2 377.449 -0.620 20 0 GBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001684169585 1071969241 /nfs/dbraw/zinc/96/92/41/1071969241.db2.gz NUGJOAWEYAAMFR-ZDUSSCGKSA-N 1 2 377.449 -0.620 20 0 GBADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001684201545 1071969933 /nfs/dbraw/zinc/96/99/33/1071969933.db2.gz GUHFMBZFLDZWHD-UHFFFAOYSA-N 1 2 389.503 -0.029 20 0 GBADLO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001684228660 1071970901 /nfs/dbraw/zinc/97/09/01/1071970901.db2.gz HDTPZRZZYMIVGK-KGLIPLIRSA-N 1 2 386.518 -0.065 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCCN2C(=O)CNC2=O)CC1 ZINC001684250366 1071971515 /nfs/dbraw/zinc/97/15/15/1071971515.db2.gz BELOSIPQAWRPKJ-UHFFFAOYSA-N 1 2 383.449 -0.357 20 0 GBADLO O=C(NCCN1C(=O)CNC1=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001684250955 1071971753 /nfs/dbraw/zinc/97/17/53/1071971753.db2.gz SQLWETVSDODEEO-UHFFFAOYSA-N 1 2 378.458 -0.014 20 0 GBADLO O=C(NCCCN1C(=O)CNC1=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001684255595 1071971676 /nfs/dbraw/zinc/97/16/76/1071971676.db2.gz MKJWGSFHFQLJPJ-UHFFFAOYSA-N 1 2 375.433 -0.712 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001684278964 1071972579 /nfs/dbraw/zinc/97/25/79/1071972579.db2.gz QEIMYLCNQLNWQS-HNNXBMFYSA-N 1 2 380.449 -0.434 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001684278964 1071972574 /nfs/dbraw/zinc/97/25/74/1071972574.db2.gz QEIMYLCNQLNWQS-HNNXBMFYSA-N 1 2 380.449 -0.434 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001684278965 1071972137 /nfs/dbraw/zinc/97/21/37/1071972137.db2.gz QEIMYLCNQLNWQS-OAHLLOKOSA-N 1 2 380.449 -0.434 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001684278965 1071972133 /nfs/dbraw/zinc/97/21/33/1071972133.db2.gz QEIMYLCNQLNWQS-OAHLLOKOSA-N 1 2 380.449 -0.434 20 0 GBADLO NC(=O)c1cn(C2CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)nn1 ZINC001684279254 1071972271 /nfs/dbraw/zinc/97/22/71/1071972271.db2.gz XBYRFXZGUVABNZ-UHFFFAOYSA-N 1 2 393.448 -0.828 20 0 GBADLO NC(=O)c1cn(C2CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)nn1 ZINC001684279254 1071972266 /nfs/dbraw/zinc/97/22/66/1071972266.db2.gz XBYRFXZGUVABNZ-UHFFFAOYSA-N 1 2 393.448 -0.828 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001684279267 1071972355 /nfs/dbraw/zinc/97/23/55/1071972355.db2.gz XKJYMLNMNKMUQM-CYBMUJFWSA-N 1 2 376.479 -0.842 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001684279267 1071972345 /nfs/dbraw/zinc/97/23/45/1071972345.db2.gz XKJYMLNMNKMUQM-CYBMUJFWSA-N 1 2 376.479 -0.842 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001684279268 1071972755 /nfs/dbraw/zinc/97/27/55/1071972755.db2.gz XKJYMLNMNKMUQM-ZDUSSCGKSA-N 1 2 376.479 -0.842 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001684279268 1071972753 /nfs/dbraw/zinc/97/27/53/1071972753.db2.gz XKJYMLNMNKMUQM-ZDUSSCGKSA-N 1 2 376.479 -0.842 20 0 GBADLO CS(=O)(=O)C[C@H](O)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001684281864 1071972644 /nfs/dbraw/zinc/97/26/44/1071972644.db2.gz BWWCYIRPPJQQGY-CYBMUJFWSA-N 1 2 388.515 -0.161 20 0 GBADLO CS(=O)(=O)C[C@@H](O)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001684281865 1071972187 /nfs/dbraw/zinc/97/21/87/1071972187.db2.gz BWWCYIRPPJQQGY-ZDUSSCGKSA-N 1 2 388.515 -0.161 20 0 GBADLO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001684305741 1071972863 /nfs/dbraw/zinc/97/28/63/1071972863.db2.gz NRPNCQFMMILYTQ-CABCVRRESA-N 1 2 393.492 -0.194 20 0 GBADLO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001684305741 1071972855 /nfs/dbraw/zinc/97/28/55/1071972855.db2.gz NRPNCQFMMILYTQ-CABCVRRESA-N 1 2 393.492 -0.194 20 0 GBADLO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001684305742 1071972209 /nfs/dbraw/zinc/97/22/09/1071972209.db2.gz NRPNCQFMMILYTQ-GJZGRUSLSA-N 1 2 393.492 -0.194 20 0 GBADLO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001684305742 1071972205 /nfs/dbraw/zinc/97/22/05/1071972205.db2.gz NRPNCQFMMILYTQ-GJZGRUSLSA-N 1 2 393.492 -0.194 20 0 GBADLO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001684305743 1071972559 /nfs/dbraw/zinc/97/25/59/1071972559.db2.gz NRPNCQFMMILYTQ-HUUCEWRRSA-N 1 2 393.492 -0.194 20 0 GBADLO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001684305743 1071972550 /nfs/dbraw/zinc/97/25/50/1071972550.db2.gz NRPNCQFMMILYTQ-HUUCEWRRSA-N 1 2 393.492 -0.194 20 0 GBADLO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001684305744 1071972620 /nfs/dbraw/zinc/97/26/20/1071972620.db2.gz NRPNCQFMMILYTQ-LSDHHAIUSA-N 1 2 393.492 -0.194 20 0 GBADLO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001684305744 1071972607 /nfs/dbraw/zinc/97/26/07/1071972607.db2.gz NRPNCQFMMILYTQ-LSDHHAIUSA-N 1 2 393.492 -0.194 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)[nH]1 ZINC001684348988 1071973444 /nfs/dbraw/zinc/97/34/44/1071973444.db2.gz JRCWXZNQUAGHHB-GFCCVEGCSA-N 1 2 386.478 -0.598 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)[nH]1 ZINC001684348988 1071973439 /nfs/dbraw/zinc/97/34/39/1071973439.db2.gz JRCWXZNQUAGHHB-GFCCVEGCSA-N 1 2 386.478 -0.598 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)[nH]1 ZINC001684348989 1071973788 /nfs/dbraw/zinc/97/37/88/1071973788.db2.gz JRCWXZNQUAGHHB-LBPRGKRZSA-N 1 2 386.478 -0.598 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)[nH]1 ZINC001684348989 1071973776 /nfs/dbraw/zinc/97/37/76/1071973776.db2.gz JRCWXZNQUAGHHB-LBPRGKRZSA-N 1 2 386.478 -0.598 20 0 GBADLO O=C(NCc1n[nH]c(C2CCOCC2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001684456615 1071976622 /nfs/dbraw/zinc/97/66/22/1071976622.db2.gz AMZKJRWZKKHRES-KBXCAEBGSA-N 1 2 394.476 -0.276 20 0 GBADLO O=C(NCc1n[nH]c(C2CCOCC2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001684456615 1071976617 /nfs/dbraw/zinc/97/66/17/1071976617.db2.gz AMZKJRWZKKHRES-KBXCAEBGSA-N 1 2 394.476 -0.276 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)NCc2n[nH]c(C3CCOCC3)n2)CC[N@@H+](C)C1 ZINC001684456968 1071976843 /nfs/dbraw/zinc/97/68/43/1071976843.db2.gz KLXJRZKFLOFDLD-CYBMUJFWSA-N 1 2 380.449 -0.055 20 0 GBADLO COC(=O)[C@H]1CN(C(=O)NCc2n[nH]c(C3CCOCC3)n2)CC[N@H+](C)C1 ZINC001684456968 1071976836 /nfs/dbraw/zinc/97/68/36/1071976836.db2.gz KLXJRZKFLOFDLD-CYBMUJFWSA-N 1 2 380.449 -0.055 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)NCc2n[nH]c(C3CCOCC3)n2)CC[N@@H+](C)C1 ZINC001684456969 1071976651 /nfs/dbraw/zinc/97/66/51/1071976651.db2.gz KLXJRZKFLOFDLD-ZDUSSCGKSA-N 1 2 380.449 -0.055 20 0 GBADLO COC(=O)[C@@H]1CN(C(=O)NCc2n[nH]c(C3CCOCC3)n2)CC[N@H+](C)C1 ZINC001684456969 1071976648 /nfs/dbraw/zinc/97/66/48/1071976648.db2.gz KLXJRZKFLOFDLD-ZDUSSCGKSA-N 1 2 380.449 -0.055 20 0 GBADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001684491404 1071977357 /nfs/dbraw/zinc/97/73/57/1071977357.db2.gz RARMALYTCWKDRI-MYZSUADSSA-N 1 2 377.445 -0.603 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC001684494639 1071977743 /nfs/dbraw/zinc/97/77/43/1071977743.db2.gz AAURZZZZCXEQNI-KBPBESRZSA-N 1 2 388.465 -0.128 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC001684494650 1071977547 /nfs/dbraw/zinc/97/75/47/1071977547.db2.gz AAURZZZZCXEQNI-UONOGXRCSA-N 1 2 388.465 -0.128 20 0 GBADLO Cc1nocc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001684513638 1071977674 /nfs/dbraw/zinc/97/76/74/1071977674.db2.gz DYPKFGLXNBGQJA-UHFFFAOYSA-N 1 2 386.478 -0.698 20 0 GBADLO CS(C)(=O)=NC(=O)CNC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001684517759 1071978379 /nfs/dbraw/zinc/97/83/79/1071978379.db2.gz CNDOVGHVYXXEKL-AWEZNQCLSA-N 1 2 389.522 -0.664 20 0 GBADLO CS(C)(=O)=NC(=O)CNC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001684517760 1071978197 /nfs/dbraw/zinc/97/81/97/1071978197.db2.gz CNDOVGHVYXXEKL-CQSZACIVSA-N 1 2 389.522 -0.664 20 0 GBADLO COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001684568679 1071978939 /nfs/dbraw/zinc/97/89/39/1071978939.db2.gz XOLVMBIQRABYCB-KBPBESRZSA-N 1 2 395.460 -0.161 20 0 GBADLO COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001684568680 1071979309 /nfs/dbraw/zinc/97/93/09/1071979309.db2.gz XOLVMBIQRABYCB-KGLIPLIRSA-N 1 2 395.460 -0.161 20 0 GBADLO COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001684568681 1071978953 /nfs/dbraw/zinc/97/89/53/1071978953.db2.gz XOLVMBIQRABYCB-UONOGXRCSA-N 1 2 395.460 -0.161 20 0 GBADLO COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001684568682 1071979352 /nfs/dbraw/zinc/97/93/52/1071979352.db2.gz XOLVMBIQRABYCB-ZIAGYGMSSA-N 1 2 395.460 -0.161 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)NCC(C)(C)CS(N)(=O)=O)CC1 ZINC001684592603 1071980833 /nfs/dbraw/zinc/98/08/33/1071980833.db2.gz KULFQHOMMVEPBT-UHFFFAOYSA-N 1 2 380.511 -0.709 20 0 GBADLO O=C(NCCCn1ccc(=O)[nH]c1=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001684601448 1071980660 /nfs/dbraw/zinc/98/06/60/1071980660.db2.gz MJKBILVEBPRXAZ-UHFFFAOYSA-N 1 2 387.444 -0.301 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N2CC(NS(C)(=O)=O)C2)CC1 ZINC001684641172 1071982948 /nfs/dbraw/zinc/98/29/48/1071982948.db2.gz FTAFEEIWRLQRSL-UHFFFAOYSA-N 1 2 390.506 -0.265 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NC[C@H](O)Cn2ccnn2)CC1 ZINC001684641393 1071983116 /nfs/dbraw/zinc/98/31/16/1071983116.db2.gz KXDYNQKEWRPHCL-AWEZNQCLSA-N 1 2 382.465 -0.256 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](O)Cn2ccnn2)CC1 ZINC001684641394 1071982580 /nfs/dbraw/zinc/98/25/80/1071982580.db2.gz KXDYNQKEWRPHCL-CQSZACIVSA-N 1 2 382.465 -0.256 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001684646955 1071983836 /nfs/dbraw/zinc/98/38/36/1071983836.db2.gz OOMQVNYNYPLFBF-RGCMKSIDSA-N 1 2 388.432 -0.820 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001684646955 1071983829 /nfs/dbraw/zinc/98/38/29/1071983829.db2.gz OOMQVNYNYPLFBF-RGCMKSIDSA-N 1 2 388.432 -0.820 20 0 GBADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC(S(N)(=O)=O)C3)C2)cc1 ZINC001684654084 1071983910 /nfs/dbraw/zinc/98/39/10/1071983910.db2.gz NPANLQMWOSXBOL-HNNXBMFYSA-N 1 2 382.486 -0.122 20 0 GBADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC(S(N)(=O)=O)C3)C2)cc1 ZINC001684654084 1071983905 /nfs/dbraw/zinc/98/39/05/1071983905.db2.gz NPANLQMWOSXBOL-HNNXBMFYSA-N 1 2 382.486 -0.122 20 0 GBADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC(S(N)(=O)=O)C3)C2)cc1 ZINC001684654085 1071983597 /nfs/dbraw/zinc/98/35/97/1071983597.db2.gz NPANLQMWOSXBOL-OAHLLOKOSA-N 1 2 382.486 -0.122 20 0 GBADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC(S(N)(=O)=O)C3)C2)cc1 ZINC001684654085 1071983586 /nfs/dbraw/zinc/98/35/86/1071983586.db2.gz NPANLQMWOSXBOL-OAHLLOKOSA-N 1 2 382.486 -0.122 20 0 GBADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H](O)CS(C)(=O)=O)C2)cc1 ZINC001684654571 1071983691 /nfs/dbraw/zinc/98/36/91/1071983691.db2.gz SMSDKXWMGRJUNM-DLBZAZTESA-N 1 2 399.513 -0.099 20 0 GBADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H](O)CS(C)(=O)=O)C2)cc1 ZINC001684654571 1071983685 /nfs/dbraw/zinc/98/36/85/1071983685.db2.gz SMSDKXWMGRJUNM-DLBZAZTESA-N 1 2 399.513 -0.099 20 0 GBADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H](O)CS(C)(=O)=O)C2)cc1 ZINC001684654580 1071983723 /nfs/dbraw/zinc/98/37/23/1071983723.db2.gz SMSDKXWMGRJUNM-IAGOWNOFSA-N 1 2 399.513 -0.099 20 0 GBADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H](O)CS(C)(=O)=O)C2)cc1 ZINC001684654580 1071983717 /nfs/dbraw/zinc/98/37/17/1071983717.db2.gz SMSDKXWMGRJUNM-IAGOWNOFSA-N 1 2 399.513 -0.099 20 0 GBADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H](O)CS(C)(=O)=O)C2)cc1 ZINC001684654582 1071983859 /nfs/dbraw/zinc/98/38/59/1071983859.db2.gz SMSDKXWMGRJUNM-IRXDYDNUSA-N 1 2 399.513 -0.099 20 0 GBADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H](O)CS(C)(=O)=O)C2)cc1 ZINC001684654582 1071983854 /nfs/dbraw/zinc/98/38/54/1071983854.db2.gz SMSDKXWMGRJUNM-IRXDYDNUSA-N 1 2 399.513 -0.099 20 0 GBADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@H](O)CS(C)(=O)=O)C2)cc1 ZINC001684654584 1071983627 /nfs/dbraw/zinc/98/36/27/1071983627.db2.gz SMSDKXWMGRJUNM-SJORKVTESA-N 1 2 399.513 -0.099 20 0 GBADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@H](O)CS(C)(=O)=O)C2)cc1 ZINC001684654584 1071983618 /nfs/dbraw/zinc/98/36/18/1071983618.db2.gz SMSDKXWMGRJUNM-SJORKVTESA-N 1 2 399.513 -0.099 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001684660896 1071983954 /nfs/dbraw/zinc/98/39/54/1071983954.db2.gz AHVUWDFWGNCBPI-REBRKWNGSA-N 1 2 377.445 -0.557 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001684660896 1071983947 /nfs/dbraw/zinc/98/39/47/1071983947.db2.gz AHVUWDFWGNCBPI-REBRKWNGSA-N 1 2 377.445 -0.557 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CNC(=O)CNC(C)=O ZINC001684661224 1071983877 /nfs/dbraw/zinc/98/38/77/1071983877.db2.gz NKAVNLCOHFUYAD-KCYZZUKISA-N 1 2 391.472 -0.361 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001684661650 1071984495 /nfs/dbraw/zinc/98/44/95/1071984495.db2.gz ZQZGKDUVMINXPW-YIYPIFLZSA-N 1 2 377.445 -0.557 20 0 GBADLO CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001684661652 1071984444 /nfs/dbraw/zinc/98/44/44/1071984444.db2.gz ZUBADGGJFFQUPD-HLPPOEQASA-N 1 2 391.472 -0.167 20 0 GBADLO Cc1nc(N2CCN(C(=O)NC[C@]34COC(=O)N3CCOC4)CC2)cc[nH+]1 ZINC001684702401 1071984392 /nfs/dbraw/zinc/98/43/92/1071984392.db2.gz WPLUYZCZDBMWSR-KRWDZBQOSA-N 1 2 376.417 -0.162 20 0 GBADLO Cc1nc(N2CCN(C(=O)NC[C@@]34COC(=O)N3CCOC4)CC2)cc[nH+]1 ZINC001684702409 1071984750 /nfs/dbraw/zinc/98/47/50/1071984750.db2.gz WPLUYZCZDBMWSR-QGZVFWFLSA-N 1 2 376.417 -0.162 20 0 GBADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC4(C3)NC(=O)NC4=O)C2)c1 ZINC001684749753 1071986982 /nfs/dbraw/zinc/98/69/82/1071986982.db2.gz JTFQOLOAQDUQKK-HNNXBMFYSA-N 1 2 387.440 -0.201 20 0 GBADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC4(C3)NC(=O)NC4=O)C2)c1 ZINC001684749753 1071986979 /nfs/dbraw/zinc/98/69/79/1071986979.db2.gz JTFQOLOAQDUQKK-HNNXBMFYSA-N 1 2 387.440 -0.201 20 0 GBADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC4(C3)NC(=O)NC4=O)C2)c1 ZINC001684749754 1071986945 /nfs/dbraw/zinc/98/69/45/1071986945.db2.gz JTFQOLOAQDUQKK-OAHLLOKOSA-N 1 2 387.440 -0.201 20 0 GBADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC4(C3)NC(=O)NC4=O)C2)c1 ZINC001684749754 1071986941 /nfs/dbraw/zinc/98/69/41/1071986941.db2.gz JTFQOLOAQDUQKK-OAHLLOKOSA-N 1 2 387.440 -0.201 20 0 GBADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N2CC(S(N)(=O)=O)C2)CC1 ZINC001684753641 1071986914 /nfs/dbraw/zinc/98/69/14/1071986914.db2.gz CROLFNBZBLKMFJ-UHFFFAOYSA-N 1 2 376.479 -0.525 20 0 GBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC2N=NC(=O)N2C2CC2)CC1 ZINC001684769445 1071986720 /nfs/dbraw/zinc/98/67/20/1071986720.db2.gz YKMTTWPASPYBTQ-UHFFFAOYSA-N 1 2 386.478 -0.373 20 0 GBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001684809611 1071987717 /nfs/dbraw/zinc/98/77/17/1071987717.db2.gz MOZFWMQORAXQRL-KBPBESRZSA-N 1 2 399.521 -0.940 20 0 GBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001684809611 1071987711 /nfs/dbraw/zinc/98/77/11/1071987711.db2.gz MOZFWMQORAXQRL-KBPBESRZSA-N 1 2 399.521 -0.940 20 0 GBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001684809612 1071987528 /nfs/dbraw/zinc/98/75/28/1071987528.db2.gz MOZFWMQORAXQRL-KGLIPLIRSA-N 1 2 399.521 -0.940 20 0 GBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001684809612 1071987522 /nfs/dbraw/zinc/98/75/22/1071987522.db2.gz MOZFWMQORAXQRL-KGLIPLIRSA-N 1 2 399.521 -0.940 20 0 GBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001684809613 1071987857 /nfs/dbraw/zinc/98/78/57/1071987857.db2.gz MOZFWMQORAXQRL-UONOGXRCSA-N 1 2 399.521 -0.940 20 0 GBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001684809613 1071987849 /nfs/dbraw/zinc/98/78/49/1071987849.db2.gz MOZFWMQORAXQRL-UONOGXRCSA-N 1 2 399.521 -0.940 20 0 GBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001684809614 1071987936 /nfs/dbraw/zinc/98/79/36/1071987936.db2.gz MOZFWMQORAXQRL-ZIAGYGMSSA-N 1 2 399.521 -0.940 20 0 GBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001684809614 1071987928 /nfs/dbraw/zinc/98/79/28/1071987928.db2.gz MOZFWMQORAXQRL-ZIAGYGMSSA-N 1 2 399.521 -0.940 20 0 GBADLO O=C(NC[C@@]12COC(=O)N1CCOC2)N1CC[NH+](CCc2cnccn2)CC1 ZINC001684826350 1071988728 /nfs/dbraw/zinc/98/87/28/1071988728.db2.gz HASUSXDEIACWOT-GOSISDBHSA-N 1 2 390.444 -0.433 20 0 GBADLO O=C(NC[C@]12COC(=O)N1CCOC2)N1CC[NH+](CCc2cnccn2)CC1 ZINC001684826351 1071988713 /nfs/dbraw/zinc/98/87/13/1071988713.db2.gz HASUSXDEIACWOT-SFHVURJKSA-N 1 2 390.444 -0.433 20 0 GBADLO CCn1cc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c(=O)[nH]c1=O ZINC001684851504 1071989474 /nfs/dbraw/zinc/98/94/74/1071989474.db2.gz KWRSVUVLQIYFFH-GOSISDBHSA-N 1 2 395.460 -0.616 20 0 GBADLO CCn1cc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c(=O)[nH]c1=O ZINC001684851504 1071989469 /nfs/dbraw/zinc/98/94/69/1071989469.db2.gz KWRSVUVLQIYFFH-GOSISDBHSA-N 1 2 395.460 -0.616 20 0 GBADLO CCn1cc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c(=O)[nH]c1=O ZINC001684851508 1071989718 /nfs/dbraw/zinc/98/97/18/1071989718.db2.gz KWRSVUVLQIYFFH-SFHVURJKSA-N 1 2 395.460 -0.616 20 0 GBADLO CCn1cc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c(=O)[nH]c1=O ZINC001684851508 1071989709 /nfs/dbraw/zinc/98/97/09/1071989709.db2.gz KWRSVUVLQIYFFH-SFHVURJKSA-N 1 2 395.460 -0.616 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001684887356 1071991469 /nfs/dbraw/zinc/99/14/69/1071991469.db2.gz FSBPTZYQPYYYMB-AWEZNQCLSA-N 1 2 381.433 -0.882 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001684887357 1071991416 /nfs/dbraw/zinc/99/14/16/1071991416.db2.gz FSBPTZYQPYYYMB-CQSZACIVSA-N 1 2 381.433 -0.882 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCNC(N)=O)C[C@H]2C1 ZINC001685109698 1071994610 /nfs/dbraw/zinc/99/46/10/1071994610.db2.gz ZNLBQUGIAQYUCP-LXTVHRRPSA-N 1 2 388.472 -0.111 20 0 GBADLO COC(=O)[C@@H](F)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001685173021 1071996100 /nfs/dbraw/zinc/99/61/00/1071996100.db2.gz GJMBQHVYMDAQNC-ZDUSSCGKSA-N 1 2 396.423 -0.344 20 0 GBADLO COC(=O)[C@@H](F)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001685173021 1071996096 /nfs/dbraw/zinc/99/60/96/1071996096.db2.gz GJMBQHVYMDAQNC-ZDUSSCGKSA-N 1 2 396.423 -0.344 20 0 GBADLO Cn1ccn2c(CCNC(=O)N3CCN(c4cccc[nH+]4)CC3)nnc2c1=O ZINC001685241345 1071998176 /nfs/dbraw/zinc/99/81/76/1071998176.db2.gz ZGAGULOYACZMNK-UHFFFAOYSA-N 1 2 382.428 -0.103 20 0 GBADLO COCC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]1C ZINC001685263054 1071997901 /nfs/dbraw/zinc/99/79/01/1071997901.db2.gz CWLWAHDUSBJVFN-SYQHCUMBSA-N 1 2 377.445 -0.276 20 0 GBADLO COCC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]1C ZINC001685263054 1071997894 /nfs/dbraw/zinc/99/78/94/1071997894.db2.gz CWLWAHDUSBJVFN-SYQHCUMBSA-N 1 2 377.445 -0.276 20 0 GBADLO O=C(NCc1nnc2c(=O)[nH]ccn12)N1CC[NH+](CCc2cnccn2)CC1 ZINC001685263482 1071997855 /nfs/dbraw/zinc/99/78/55/1071997855.db2.gz JZLIFFRFDUQXHX-UHFFFAOYSA-N 1 2 383.416 -0.723 20 0 GBADLO COCC(=O)NCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC001685265880 1071998787 /nfs/dbraw/zinc/99/87/87/1071998787.db2.gz SUYITVUNZLGORW-TUVASFSCSA-N 1 2 391.472 -0.218 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)CCCS(N)(=O)=O ZINC001685285671 1071999261 /nfs/dbraw/zinc/99/92/61/1071999261.db2.gz IVHSKDMDSUCURT-LPWJVIDDSA-N 1 2 383.474 -0.313 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)CCCS(N)(=O)=O ZINC001685285671 1071999254 /nfs/dbraw/zinc/99/92/54/1071999254.db2.gz IVHSKDMDSUCURT-LPWJVIDDSA-N 1 2 383.474 -0.313 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)COCc1nncn1C ZINC001685286652 1071999359 /nfs/dbraw/zinc/99/93/59/1071999359.db2.gz YJHHLIVTQOFNPQ-SYQHCUMBSA-N 1 2 387.444 -0.036 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)COCc1nncn1C ZINC001685286652 1071999354 /nfs/dbraw/zinc/99/93/54/1071999354.db2.gz YJHHLIVTQOFNPQ-SYQHCUMBSA-N 1 2 387.444 -0.036 20 0 GBADLO Cn1ccn2c(CCNC(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)nnc2c1=O ZINC001685328395 1072001608 /nfs/dbraw/zinc/00/16/08/1072001608.db2.gz VHIBBVYJESHXKN-BETUJISGSA-N 1 2 375.433 -0.867 20 0 GBADLO Cn1ccn2c(CCNC(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)nnc2c1=O ZINC001685328395 1072001592 /nfs/dbraw/zinc/00/15/92/1072001592.db2.gz VHIBBVYJESHXKN-BETUJISGSA-N 1 2 375.433 -0.867 20 0 GBADLO CN1C(=O)NC2(CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)C1=O ZINC001685332019 1072000925 /nfs/dbraw/zinc/00/09/25/1072000925.db2.gz LVHUEPBICPMEKN-UHFFFAOYSA-N 1 2 381.433 -0.839 20 0 GBADLO CN1C(=O)NC2(CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)C1=O ZINC001685332019 1072000921 /nfs/dbraw/zinc/00/09/21/1072000921.db2.gz LVHUEPBICPMEKN-UHFFFAOYSA-N 1 2 381.433 -0.839 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001685334879 1072001423 /nfs/dbraw/zinc/00/14/23/1072001423.db2.gz MOHUOXSFAIBAIJ-CYBMUJFWSA-N 1 2 378.433 -0.491 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001685334879 1072001419 /nfs/dbraw/zinc/00/14/19/1072001419.db2.gz MOHUOXSFAIBAIJ-CYBMUJFWSA-N 1 2 378.433 -0.491 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001685334880 1072001068 /nfs/dbraw/zinc/00/10/68/1072001068.db2.gz MOHUOXSFAIBAIJ-ZDUSSCGKSA-N 1 2 378.433 -0.491 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001685334880 1072001054 /nfs/dbraw/zinc/00/10/54/1072001054.db2.gz MOHUOXSFAIBAIJ-ZDUSSCGKSA-N 1 2 378.433 -0.491 20 0 GBADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001685349252 1072001860 /nfs/dbraw/zinc/00/18/60/1072001860.db2.gz DCVJEPIEDMGTCA-UHFFFAOYSA-N 1 2 396.535 -0.450 20 0 GBADLO CO[C@]1(CNC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CCS(=O)(=O)C1 ZINC001685394750 1072003730 /nfs/dbraw/zinc/00/37/30/1072003730.db2.gz LZKQPVXJZQVCPG-INIZCTEOSA-N 1 2 383.474 -0.180 20 0 GBADLO CO[C@@]1(CNC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CCS(=O)(=O)C1 ZINC001685394751 1072003581 /nfs/dbraw/zinc/00/35/81/1072003581.db2.gz LZKQPVXJZQVCPG-MRXNPFEDSA-N 1 2 383.474 -0.180 20 0 GBADLO COCC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001685395299 1072003556 /nfs/dbraw/zinc/00/35/56/1072003556.db2.gz CMKCRVUQIPYRIS-TUVASFSCSA-N 1 2 391.472 -0.266 20 0 GBADLO C[C@@H]1CN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CC[N@H+]1CC(C)(C)O ZINC001685411438 1072003986 /nfs/dbraw/zinc/00/39/86/1072003986.db2.gz GRGONEHPWAYUHR-LLVKDONJSA-N 1 2 388.494 -0.664 20 0 GBADLO C[C@@H]1CN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CC[N@@H+]1CC(C)(C)O ZINC001685411438 1072003977 /nfs/dbraw/zinc/00/39/77/1072003977.db2.gz GRGONEHPWAYUHR-LLVKDONJSA-N 1 2 388.494 -0.664 20 0 GBADLO C[C@H]1CN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CC[N@H+]1CC(C)(C)O ZINC001685411439 1072003938 /nfs/dbraw/zinc/00/39/38/1072003938.db2.gz GRGONEHPWAYUHR-NSHDSACASA-N 1 2 388.494 -0.664 20 0 GBADLO C[C@H]1CN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CC[N@@H+]1CC(C)(C)O ZINC001685411439 1072003932 /nfs/dbraw/zinc/00/39/32/1072003932.db2.gz GRGONEHPWAYUHR-NSHDSACASA-N 1 2 388.494 -0.664 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001685412228 1072004069 /nfs/dbraw/zinc/00/40/69/1072004069.db2.gz DZRVRLCHGQDEBH-CYBMUJFWSA-N 1 2 376.479 -0.842 20 0 GBADLO CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001685412228 1072004058 /nfs/dbraw/zinc/00/40/58/1072004058.db2.gz DZRVRLCHGQDEBH-CYBMUJFWSA-N 1 2 376.479 -0.842 20 0 GBADLO CS(=O)(=O)N[C@H]1CCCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001685412229 1072003868 /nfs/dbraw/zinc/00/38/68/1072003868.db2.gz DZRVRLCHGQDEBH-ZDUSSCGKSA-N 1 2 376.479 -0.842 20 0 GBADLO CS(=O)(=O)N[C@H]1CCCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001685412229 1072003861 /nfs/dbraw/zinc/00/38/61/1072003861.db2.gz DZRVRLCHGQDEBH-ZDUSSCGKSA-N 1 2 376.479 -0.842 20 0 GBADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)NCc1nnc(C2CCOCC2)[nH]1 ZINC001685413520 1072005049 /nfs/dbraw/zinc/00/50/49/1072005049.db2.gz WMRORATUDOYVQF-UHFFFAOYSA-N 1 2 380.449 -0.053 20 0 GBADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NCc1nnc(C2CCOCC2)[nH]1 ZINC001685413520 1072005034 /nfs/dbraw/zinc/00/50/34/1072005034.db2.gz WMRORATUDOYVQF-UHFFFAOYSA-N 1 2 380.449 -0.053 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001685438946 1072005167 /nfs/dbraw/zinc/00/51/67/1072005167.db2.gz FMPDGYWTZYLWSV-TUVASFSCSA-N 1 2 389.456 -0.554 20 0 GBADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001685438946 1072005155 /nfs/dbraw/zinc/00/51/55/1072005155.db2.gz FMPDGYWTZYLWSV-TUVASFSCSA-N 1 2 389.456 -0.554 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)[nH]1 ZINC001685497070 1072007085 /nfs/dbraw/zinc/00/70/85/1072007085.db2.gz MENWUJFDENNVLZ-GFCCVEGCSA-N 1 2 386.478 -0.910 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)[nH]1 ZINC001685497070 1072007080 /nfs/dbraw/zinc/00/70/80/1072007080.db2.gz MENWUJFDENNVLZ-GFCCVEGCSA-N 1 2 386.478 -0.910 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)[nH]1 ZINC001685497075 1072006877 /nfs/dbraw/zinc/00/68/77/1072006877.db2.gz MENWUJFDENNVLZ-LBPRGKRZSA-N 1 2 386.478 -0.910 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)[nH]1 ZINC001685497075 1072006867 /nfs/dbraw/zinc/00/68/67/1072006867.db2.gz MENWUJFDENNVLZ-LBPRGKRZSA-N 1 2 386.478 -0.910 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)[nH]1 ZINC001685497514 1072007217 /nfs/dbraw/zinc/00/72/17/1072007217.db2.gz UAPGOLVZFUCKSF-GFCCVEGCSA-N 1 2 386.478 -0.787 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]1 ZINC001685497515 1072007434 /nfs/dbraw/zinc/00/74/34/1072007434.db2.gz UAPGOLVZFUCKSF-LBPRGKRZSA-N 1 2 386.478 -0.787 20 0 GBADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@]2(C)C1 ZINC001685533675 1072006900 /nfs/dbraw/zinc/00/69/00/1072006900.db2.gz QFFWUKZWIJBSIW-FGBSKUFISA-N 1 2 388.472 -0.111 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001685546078 1072008293 /nfs/dbraw/zinc/00/82/93/1072008293.db2.gz RRAZLFDXIOIKLX-NUDNTCICSA-N 1 2 375.491 -0.571 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001685546079 1072007853 /nfs/dbraw/zinc/00/78/53/1072007853.db2.gz RRAZLFDXIOIKLX-WIGRTHMWSA-N 1 2 375.491 -0.571 20 0 GBADLO COCC(=O)NCCC(=O)N1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC001685698703 1072011664 /nfs/dbraw/zinc/01/16/64/1072011664.db2.gz PYKTUAYHNGCKNX-KBUPBQIOSA-N 1 2 391.472 -0.123 20 0 GBADLO COCC(=O)NCCC(=O)N1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC001685698703 1072011651 /nfs/dbraw/zinc/01/16/51/1072011651.db2.gz PYKTUAYHNGCKNX-KBUPBQIOSA-N 1 2 391.472 -0.123 20 0 GBADLO CNc1cc(CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc[nH+]1 ZINC001685726241 1072012349 /nfs/dbraw/zinc/01/23/49/1072012349.db2.gz OANNOQDMPFNYKH-UHFFFAOYSA-N 1 2 388.432 -0.705 20 0 GBADLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001685730371 1072012532 /nfs/dbraw/zinc/01/25/32/1072012532.db2.gz KOOPKRXQQAQOIG-XOUADPBQSA-N 1 2 391.472 -0.024 20 0 GBADLO Cn1[nH]c(C[N@H+]2CCC3(CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C3)C2)nc1=O ZINC001685854336 1072014271 /nfs/dbraw/zinc/01/42/71/1072014271.db2.gz UCXHFNOWYYKIFV-KCQAQPDRSA-N 1 2 377.445 -0.806 20 0 GBADLO Cn1[nH]c(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C3)C2)nc1=O ZINC001685854336 1072014262 /nfs/dbraw/zinc/01/42/62/1072014262.db2.gz UCXHFNOWYYKIFV-KCQAQPDRSA-N 1 2 377.445 -0.806 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@]3(CNC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)O1 ZINC001685924459 1072017457 /nfs/dbraw/zinc/01/74/57/1072017457.db2.gz JPZBJPDDJIJLFR-FGBSKUFISA-N 1 2 389.456 -0.128 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@]3(CNC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)O1 ZINC001685929767 1072017282 /nfs/dbraw/zinc/01/72/82/1072017282.db2.gz LKHXULXSEWAXJW-NRTGNBEESA-N 1 2 389.456 -0.128 20 0 GBADLO CS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001685970770 1072018791 /nfs/dbraw/zinc/01/87/91/1072018791.db2.gz OQIIZFWAPSMXAV-CRWXNKLISA-N 1 2 380.470 -0.262 20 0 GBADLO CS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001685970771 1072018865 /nfs/dbraw/zinc/01/88/65/1072018865.db2.gz OQIIZFWAPSMXAV-MQYQWHSLSA-N 1 2 380.470 -0.262 20 0 GBADLO CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001686005091 1072022034 /nfs/dbraw/zinc/02/20/34/1072022034.db2.gz DRTZFNUYQBTLRL-NTASLKFISA-N 1 2 395.485 -0.299 20 0 GBADLO CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001686005091 1072022022 /nfs/dbraw/zinc/02/20/22/1072022022.db2.gz DRTZFNUYQBTLRL-NTASLKFISA-N 1 2 395.485 -0.299 20 0 GBADLO O=C(CNC(=O)c1ccncc1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1 ZINC001686026358 1072023405 /nfs/dbraw/zinc/02/34/05/1072023405.db2.gz FCIWHHYFSPMDAE-PMPSAXMXSA-N 1 2 382.424 -0.044 20 0 GBADLO COCC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001686028181 1072023698 /nfs/dbraw/zinc/02/36/98/1072023698.db2.gz PONHUZQBVUBZSM-FAHYXWLWSA-N 1 2 389.456 -0.134 20 0 GBADLO COCC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001686028181 1072023686 /nfs/dbraw/zinc/02/36/86/1072023686.db2.gz PONHUZQBVUBZSM-FAHYXWLWSA-N 1 2 389.456 -0.134 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(N)=O ZINC001686038523 1072025316 /nfs/dbraw/zinc/02/53/16/1072025316.db2.gz COIWFTIDBBNAFM-RDBSUJKOSA-N 1 2 375.429 -0.061 20 0 GBADLO C[C@@H](CS(C)(=O)=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001686057657 1072027128 /nfs/dbraw/zinc/02/71/28/1072027128.db2.gz XYVSQSGCKYMHPK-NEBZKDRISA-N 1 2 382.486 -0.109 20 0 GBADLO C[C@H](CS(C)(=O)=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001686057658 1072027052 /nfs/dbraw/zinc/02/70/52/1072027052.db2.gz XYVSQSGCKYMHPK-UXOAXIEHSA-N 1 2 382.486 -0.109 20 0 GBADLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001686060468 1072027759 /nfs/dbraw/zinc/02/77/59/1072027759.db2.gz NKIAMWYSHWNNJB-MQYQWHSLSA-N 1 2 381.458 -0.787 20 0 GBADLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001686060469 1072027826 /nfs/dbraw/zinc/02/78/26/1072027826.db2.gz NKIAMWYSHWNNJB-RFGFWPKPSA-N 1 2 381.458 -0.787 20 0 GBADLO Cn1ccnc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001686069678 1072028814 /nfs/dbraw/zinc/02/88/14/1072028814.db2.gz FCTMZXVNDREWKI-FXUDXRNXSA-N 1 2 375.473 -0.069 20 0 GBADLO Cn1ccnc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001686069678 1072028810 /nfs/dbraw/zinc/02/88/10/1072028810.db2.gz FCTMZXVNDREWKI-FXUDXRNXSA-N 1 2 375.473 -0.069 20 0 GBADLO Cn1ccnc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001686069679 1072028764 /nfs/dbraw/zinc/02/87/64/1072028764.db2.gz FCTMZXVNDREWKI-UGUYLWEFSA-N 1 2 375.473 -0.069 20 0 GBADLO Cn1ccnc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001686069679 1072028757 /nfs/dbraw/zinc/02/87/57/1072028757.db2.gz FCTMZXVNDREWKI-UGUYLWEFSA-N 1 2 375.473 -0.069 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2cn[nH]n2)C3)C1 ZINC001686101168 1072030713 /nfs/dbraw/zinc/03/07/13/1072030713.db2.gz MXFKFFRDYNVOMI-FXUDXRNXSA-N 1 2 376.461 -0.294 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2cn[nH]n2)C3)C1 ZINC001686101168 1072030706 /nfs/dbraw/zinc/03/07/06/1072030706.db2.gz MXFKFFRDYNVOMI-FXUDXRNXSA-N 1 2 376.461 -0.294 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2cn[nH]n2)C3)C1 ZINC001686101169 1072030845 /nfs/dbraw/zinc/03/08/45/1072030845.db2.gz MXFKFFRDYNVOMI-UGUYLWEFSA-N 1 2 376.461 -0.294 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2cn[nH]n2)C3)C1 ZINC001686101169 1072030837 /nfs/dbraw/zinc/03/08/37/1072030837.db2.gz MXFKFFRDYNVOMI-UGUYLWEFSA-N 1 2 376.461 -0.294 20 0 GBADLO COc1cc[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(C)(=O)=O)C2 ZINC001686127326 1072032511 /nfs/dbraw/zinc/03/25/11/1072032511.db2.gz UDVFZUUKWWJZJY-MCIONIFRSA-N 1 2 381.454 -0.075 20 0 GBADLO CC[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2nnc[nH]2)C3)C1 ZINC001686141461 1072033296 /nfs/dbraw/zinc/03/32/96/1072033296.db2.gz UDDAAJQZPJBHKW-APIJFGDWSA-N 1 2 376.461 -0.294 20 0 GBADLO CC[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2nnc[nH]2)C3)C1 ZINC001686141461 1072033284 /nfs/dbraw/zinc/03/32/84/1072033284.db2.gz UDDAAJQZPJBHKW-APIJFGDWSA-N 1 2 376.461 -0.294 20 0 GBADLO CC[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2nnc[nH]2)C3)C1 ZINC001686141462 1072033985 /nfs/dbraw/zinc/03/39/85/1072033985.db2.gz UDDAAJQZPJBHKW-KBXIAJHMSA-N 1 2 376.461 -0.294 20 0 GBADLO CC[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2nnc[nH]2)C3)C1 ZINC001686141462 1072033978 /nfs/dbraw/zinc/03/39/78/1072033978.db2.gz UDDAAJQZPJBHKW-KBXIAJHMSA-N 1 2 376.461 -0.294 20 0 GBADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCOCC1=O ZINC001686189930 1072038630 /nfs/dbraw/zinc/03/86/30/1072038630.db2.gz IMWFULBQRDMOGI-KFWWJZLASA-N 1 2 375.429 -0.551 20 0 GBADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCOCC1=O ZINC001686189930 1072038620 /nfs/dbraw/zinc/03/86/20/1072038620.db2.gz IMWFULBQRDMOGI-KFWWJZLASA-N 1 2 375.429 -0.551 20 0 GBADLO COCC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001686190037 1072038487 /nfs/dbraw/zinc/03/84/87/1072038487.db2.gz MGVDUECGMBRRHG-KFWWJZLASA-N 1 2 377.445 -0.305 20 0 GBADLO COCC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001686190037 1072038484 /nfs/dbraw/zinc/03/84/84/1072038484.db2.gz MGVDUECGMBRRHG-KFWWJZLASA-N 1 2 377.445 -0.305 20 0 GBADLO CS(=O)(=O)NCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001686194786 1072039306 /nfs/dbraw/zinc/03/93/06/1072039306.db2.gz VIAAYBDENBZBJR-HVNMYJMUSA-N 1 2 395.485 -0.299 20 0 GBADLO CS(=O)(=O)NCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001686194786 1072039291 /nfs/dbraw/zinc/03/92/91/1072039291.db2.gz VIAAYBDENBZBJR-HVNMYJMUSA-N 1 2 395.485 -0.299 20 0 GBADLO O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1ccccn1 ZINC001686197315 1072039045 /nfs/dbraw/zinc/03/90/45/1072039045.db2.gz CAHSNLOAKHNGFP-BMFZPTHFSA-N 1 2 382.424 -0.044 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)O1 ZINC001686222602 1072041817 /nfs/dbraw/zinc/04/18/17/1072041817.db2.gz IBWYGXJTFUOYCO-SUJAAXHWSA-N 1 2 389.456 -0.056 20 0 GBADLO Cc1noc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001686227168 1072041948 /nfs/dbraw/zinc/04/19/48/1072041948.db2.gz WCECAVBVYYZTAG-APIJFGDWSA-N 1 2 377.445 -0.111 20 0 GBADLO Cc1noc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001686227168 1072041935 /nfs/dbraw/zinc/04/19/35/1072041935.db2.gz WCECAVBVYYZTAG-APIJFGDWSA-N 1 2 377.445 -0.111 20 0 GBADLO Cc1noc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001686227169 1072041730 /nfs/dbraw/zinc/04/17/30/1072041730.db2.gz WCECAVBVYYZTAG-KBXIAJHMSA-N 1 2 377.445 -0.111 20 0 GBADLO Cc1noc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001686227169 1072041726 /nfs/dbraw/zinc/04/17/26/1072041726.db2.gz WCECAVBVYYZTAG-KBXIAJHMSA-N 1 2 377.445 -0.111 20 0 GBADLO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001686229212 1072042450 /nfs/dbraw/zinc/04/24/50/1072042450.db2.gz WWOSMBDPRLYOKK-HVNMYJMUSA-N 1 2 395.485 -0.347 20 0 GBADLO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001686229212 1072042439 /nfs/dbraw/zinc/04/24/39/1072042439.db2.gz WWOSMBDPRLYOKK-HVNMYJMUSA-N 1 2 395.485 -0.347 20 0 GBADLO CCOC1CC(CNC(=O)NCC2(S(N)(=O)=O)CC2)([NH+]2CCOCC2)C1 ZINC001686321629 1072045609 /nfs/dbraw/zinc/04/56/09/1072045609.db2.gz HDLPKYFZVCCUNF-UHFFFAOYSA-N 1 2 390.506 -0.623 20 0 GBADLO CCOC1CC(CNC(=O)N(C)CCS(N)(=O)=O)([NH+]2CCOCC2)C1 ZINC001686322090 1072045697 /nfs/dbraw/zinc/04/56/97/1072045697.db2.gz QZNFNFVZPUBNAP-UHFFFAOYSA-N 1 2 378.495 -0.814 20 0 GBADLO CC[C@@H]1CCO[C@@H]1C(=O)NCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001686738717 1072049445 /nfs/dbraw/zinc/04/94/45/1072049445.db2.gz FCZFIKRUVDWYSR-NCOADZHNSA-N 1 2 383.489 -0.086 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1 ZINC001686752806 1072048971 /nfs/dbraw/zinc/04/89/71/1072048971.db2.gz HPOTXPFSNDDKGO-HRCADAONSA-N 1 2 381.477 -0.025 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCO[C@H](c2nccn2C)C1 ZINC001686752807 1072049310 /nfs/dbraw/zinc/04/93/10/1072049310.db2.gz HPOTXPFSNDDKGO-JYJNAYRXSA-N 1 2 381.477 -0.025 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC001686752808 1072049345 /nfs/dbraw/zinc/04/93/45/1072049345.db2.gz HPOTXPFSNDDKGO-OWCLPIDISA-N 1 2 381.477 -0.025 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCO[C@H](c2nccn2C)C1 ZINC001686752809 1072049252 /nfs/dbraw/zinc/04/92/52/1072049252.db2.gz HPOTXPFSNDDKGO-PMPSAXMXSA-N 1 2 381.477 -0.025 20 0 GBADLO Cc1cc(C)c(CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c[nH+]1 ZINC001686781836 1072050127 /nfs/dbraw/zinc/05/01/27/1072050127.db2.gz CJOFCOPSOAKQOI-UHFFFAOYSA-N 1 2 387.444 -0.130 20 0 GBADLO O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001686896395 1072051303 /nfs/dbraw/zinc/05/13/03/1072051303.db2.gz BPJRRDYNUNSUQM-GDZNZVCISA-N 1 2 380.449 -0.319 20 0 GBADLO O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001686896395 1072051294 /nfs/dbraw/zinc/05/12/94/1072051294.db2.gz BPJRRDYNUNSUQM-GDZNZVCISA-N 1 2 380.449 -0.319 20 0 GBADLO O=C(NCc1n[nH]c([C@H]2CCCO2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001686896396 1072051610 /nfs/dbraw/zinc/05/16/10/1072051610.db2.gz BPJRRDYNUNSUQM-OGHNNQOOSA-N 1 2 380.449 -0.319 20 0 GBADLO O=C(NCc1n[nH]c([C@H]2CCCO2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001686896396 1072051604 /nfs/dbraw/zinc/05/16/04/1072051604.db2.gz BPJRRDYNUNSUQM-OGHNNQOOSA-N 1 2 380.449 -0.319 20 0 GBADLO NS(=O)(=O)CCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001686913967 1072051383 /nfs/dbraw/zinc/05/13/83/1072051383.db2.gz KDDXDXDCQJTYFV-UHFFFAOYSA-N 1 2 398.489 -0.902 20 0 GBADLO C[N@H+]1CCN(C(=O)NCCCS(N)(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001686914053 1072051471 /nfs/dbraw/zinc/05/14/71/1072051471.db2.gz NJBPYDRQIZTUKD-GFCCVEGCSA-N 1 2 393.510 -0.485 20 0 GBADLO C[N@@H+]1CCN(C(=O)NCCCS(N)(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001686914053 1072051466 /nfs/dbraw/zinc/05/14/66/1072051466.db2.gz NJBPYDRQIZTUKD-GFCCVEGCSA-N 1 2 393.510 -0.485 20 0 GBADLO C[N@H+]1CCN(C(=O)NCCCS(N)(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001686914054 1072051810 /nfs/dbraw/zinc/05/18/10/1072051810.db2.gz NJBPYDRQIZTUKD-LBPRGKRZSA-N 1 2 393.510 -0.485 20 0 GBADLO C[N@@H+]1CCN(C(=O)NCCCS(N)(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001686914054 1072051800 /nfs/dbraw/zinc/05/18/00/1072051800.db2.gz NJBPYDRQIZTUKD-LBPRGKRZSA-N 1 2 393.510 -0.485 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1ncc2c(n1)CCOC2 ZINC001686966345 1072052300 /nfs/dbraw/zinc/05/23/00/1072052300.db2.gz JAGPUKXJTMOIRS-IBGZPJMESA-N 1 2 391.472 -0.036 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1ncc2c(n1)CCOC2 ZINC001686966345 1072052293 /nfs/dbraw/zinc/05/22/93/1072052293.db2.gz JAGPUKXJTMOIRS-IBGZPJMESA-N 1 2 391.472 -0.036 20 0 GBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1ncc2c(n1)CCOC2 ZINC001686966346 1072052472 /nfs/dbraw/zinc/05/24/72/1072052472.db2.gz JAGPUKXJTMOIRS-LJQANCHMSA-N 1 2 391.472 -0.036 20 0 GBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1ncc2c(n1)CCOC2 ZINC001686966346 1072052466 /nfs/dbraw/zinc/05/24/66/1072052466.db2.gz JAGPUKXJTMOIRS-LJQANCHMSA-N 1 2 391.472 -0.036 20 0 GBADLO C[C@@H]1[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCS1(=O)=O ZINC001687280084 1072578668 /nfs/dbraw/zinc/57/86/68/1072578668.db2.gz GTWXYSMZQGLMAV-DGCLKSJQSA-N 1 2 393.473 -0.230 20 0 GBADLO COC(=O)CCNC(=O)CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001687281449 1072578876 /nfs/dbraw/zinc/57/88/76/1072578876.db2.gz GIFBKOQJTBUKKZ-UHFFFAOYSA-N 1 2 392.460 -0.584 20 0 GBADLO C[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)c1nnnn1C1CC1 ZINC001687370147 1072568589 /nfs/dbraw/zinc/56/85/89/1072568589.db2.gz SFYSAFRVLHXTGB-PXAZEXFGSA-N 1 2 379.465 -0.016 20 0 GBADLO C[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)c1nnnn1C1CC1 ZINC001687370147 1072568581 /nfs/dbraw/zinc/56/85/81/1072568581.db2.gz SFYSAFRVLHXTGB-PXAZEXFGSA-N 1 2 379.465 -0.016 20 0 GBADLO C[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)c1nnnn1C1CC1 ZINC001687370148 1072568466 /nfs/dbraw/zinc/56/84/66/1072568466.db2.gz SFYSAFRVLHXTGB-SJCJKPOMSA-N 1 2 379.465 -0.016 20 0 GBADLO C[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)c1nnnn1C1CC1 ZINC001687370148 1072568459 /nfs/dbraw/zinc/56/84/59/1072568459.db2.gz SFYSAFRVLHXTGB-SJCJKPOMSA-N 1 2 379.465 -0.016 20 0 GBADLO C[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)c1nnnn1C1CC1 ZINC001687370149 1072568663 /nfs/dbraw/zinc/56/86/63/1072568663.db2.gz SFYSAFRVLHXTGB-SJKOYZFVSA-N 1 2 379.465 -0.016 20 0 GBADLO C[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)c1nnnn1C1CC1 ZINC001687370149 1072568653 /nfs/dbraw/zinc/56/86/53/1072568653.db2.gz SFYSAFRVLHXTGB-SJKOYZFVSA-N 1 2 379.465 -0.016 20 0 GBADLO C[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)c1nnnn1C1CC1 ZINC001687370150 1072568553 /nfs/dbraw/zinc/56/85/53/1072568553.db2.gz SFYSAFRVLHXTGB-YVEFUNNKSA-N 1 2 379.465 -0.016 20 0 GBADLO C[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)c1nnnn1C1CC1 ZINC001687370150 1072568542 /nfs/dbraw/zinc/56/85/42/1072568542.db2.gz SFYSAFRVLHXTGB-YVEFUNNKSA-N 1 2 379.465 -0.016 20 0 GBADLO CNS(=O)(=O)NC1CCN(C(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC001687639223 1072054972 /nfs/dbraw/zinc/05/49/72/1072054972.db2.gz YBIRHVCSFXSPIB-UHFFFAOYSA-N 1 2 390.535 -0.068 20 0 GBADLO COC1CC[NH+](CCNC(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC001687643478 1072054645 /nfs/dbraw/zinc/05/46/45/1072054645.db2.gz WEJOSYIJZUHUCU-UHFFFAOYSA-N 1 2 384.524 -0.546 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001687658440 1072055816 /nfs/dbraw/zinc/05/58/16/1072055816.db2.gz PLDPJDDFJPAROV-KBPBESRZSA-N 1 2 378.495 -0.943 20 0 GBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001687658441 1072055746 /nfs/dbraw/zinc/05/57/46/1072055746.db2.gz PLDPJDDFJPAROV-KGLIPLIRSA-N 1 2 378.495 -0.943 20 0 GBADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001687658442 1072055486 /nfs/dbraw/zinc/05/54/86/1072055486.db2.gz PLDPJDDFJPAROV-UONOGXRCSA-N 1 2 378.495 -0.943 20 0 GBADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001687658443 1072055581 /nfs/dbraw/zinc/05/55/81/1072055581.db2.gz PLDPJDDFJPAROV-ZIAGYGMSSA-N 1 2 378.495 -0.943 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001687678189 1072055330 /nfs/dbraw/zinc/05/53/30/1072055330.db2.gz PLRVOSJEWZFGNT-AWEZNQCLSA-N 1 2 390.506 -0.594 20 0 GBADLO CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001687678189 1072055322 /nfs/dbraw/zinc/05/53/22/1072055322.db2.gz PLRVOSJEWZFGNT-AWEZNQCLSA-N 1 2 390.506 -0.594 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001687678190 1072055567 /nfs/dbraw/zinc/05/55/67/1072055567.db2.gz PLRVOSJEWZFGNT-CQSZACIVSA-N 1 2 390.506 -0.594 20 0 GBADLO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001687678190 1072055560 /nfs/dbraw/zinc/05/55/60/1072055560.db2.gz PLRVOSJEWZFGNT-CQSZACIVSA-N 1 2 390.506 -0.594 20 0 GBADLO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001687679845 1072055358 /nfs/dbraw/zinc/05/53/58/1072055358.db2.gz LYTTWGHEDMNWKN-UHFFFAOYSA-N 1 2 377.405 -0.992 20 0 GBADLO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001687679845 1072055348 /nfs/dbraw/zinc/05/53/48/1072055348.db2.gz LYTTWGHEDMNWKN-UHFFFAOYSA-N 1 2 377.405 -0.992 20 0 GBADLO COCC[N@@H+]1[C@H](C)CN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)C[C@@H]1C ZINC001687715758 1072057015 /nfs/dbraw/zinc/05/70/15/1072057015.db2.gz CSTIXISDPMVADM-TXEJJXNPSA-N 1 2 388.494 -0.400 20 0 GBADLO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)C[C@@H]1C ZINC001687715758 1072057007 /nfs/dbraw/zinc/05/70/07/1072057007.db2.gz CSTIXISDPMVADM-TXEJJXNPSA-N 1 2 388.494 -0.400 20 0 GBADLO COCC[N@@H+]1[C@H](C)CN(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)C[C@@H]1C ZINC001687715758 1072056995 /nfs/dbraw/zinc/05/69/95/1072056995.db2.gz CSTIXISDPMVADM-TXEJJXNPSA-N 1 2 388.494 -0.400 20 0 GBADLO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)C[C@@H]1C ZINC001687715758 1072056985 /nfs/dbraw/zinc/05/69/85/1072056985.db2.gz CSTIXISDPMVADM-TXEJJXNPSA-N 1 2 388.494 -0.400 20 0 GBADLO CS(=O)(=O)Cc1nnc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)[nH]1 ZINC001687715810 1072056786 /nfs/dbraw/zinc/05/67/86/1072056786.db2.gz DBEOZNQMTXGNRB-UHFFFAOYSA-N 1 2 386.478 -0.645 20 0 GBADLO CS(=O)(=O)Cc1nc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)n[nH]1 ZINC001687715810 1072056772 /nfs/dbraw/zinc/05/67/72/1072056772.db2.gz DBEOZNQMTXGNRB-UHFFFAOYSA-N 1 2 386.478 -0.645 20 0 GBADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001687716266 1072057047 /nfs/dbraw/zinc/05/70/47/1072057047.db2.gz LCIWPXJVTWANLS-LLVKDONJSA-N 1 2 388.494 -0.664 20 0 GBADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001687716266 1072057040 /nfs/dbraw/zinc/05/70/40/1072057040.db2.gz LCIWPXJVTWANLS-LLVKDONJSA-N 1 2 388.494 -0.664 20 0 GBADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001687716267 1072056234 /nfs/dbraw/zinc/05/62/34/1072056234.db2.gz LCIWPXJVTWANLS-NSHDSACASA-N 1 2 388.494 -0.664 20 0 GBADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001687716267 1072056218 /nfs/dbraw/zinc/05/62/18/1072056218.db2.gz LCIWPXJVTWANLS-NSHDSACASA-N 1 2 388.494 -0.664 20 0 GBADLO CCN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001687783384 1072057769 /nfs/dbraw/zinc/05/77/69/1072057769.db2.gz MOVREOBMRPQXIA-LUYZLQTOSA-N 1 2 391.472 -0.089 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001687789978 1072057443 /nfs/dbraw/zinc/05/74/43/1072057443.db2.gz QPNUFCXJKRMXKR-KBPBESRZSA-N 1 2 380.449 -0.905 20 0 GBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001687789979 1072058431 /nfs/dbraw/zinc/05/84/31/1072058431.db2.gz QPNUFCXJKRMXKR-KGLIPLIRSA-N 1 2 380.449 -0.905 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001687789980 1072058314 /nfs/dbraw/zinc/05/83/14/1072058314.db2.gz QPNUFCXJKRMXKR-UONOGXRCSA-N 1 2 380.449 -0.905 20 0 GBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001687789981 1072058261 /nfs/dbraw/zinc/05/82/61/1072058261.db2.gz QPNUFCXJKRMXKR-ZIAGYGMSSA-N 1 2 380.449 -0.905 20 0 GBADLO COCCOCC[NH+]1CCN(C(=O)NCCCn2ccc(=O)[nH]c2=O)CC1 ZINC001687804581 1072058369 /nfs/dbraw/zinc/05/83/69/1072058369.db2.gz AEGMVJUMFBDTBW-UHFFFAOYSA-N 1 2 383.449 -0.671 20 0 GBADLO CNc1cc(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc[nH+]1 ZINC001687863221 1072059348 /nfs/dbraw/zinc/05/93/48/1072059348.db2.gz DUGVZQAODSGGDL-UHFFFAOYSA-N 1 2 388.428 -0.374 20 0 GBADLO Cn1cc(C(=O)N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)nn1 ZINC001687874415 1072059024 /nfs/dbraw/zinc/05/90/24/1072059024.db2.gz CCKDHGOEDOZJNV-FMKPAKJESA-N 1 2 376.461 -0.353 20 0 GBADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001688216794 1072061381 /nfs/dbraw/zinc/06/13/81/1072061381.db2.gz FLZRUVCOLHCGBL-ILXVDBEPSA-N 1 2 376.457 -0.021 20 0 GBADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001688216795 1072061566 /nfs/dbraw/zinc/06/15/66/1072061566.db2.gz FLZRUVCOLHCGBL-YQYZPQCESA-N 1 2 376.457 -0.021 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)O1 ZINC001688492428 1072063408 /nfs/dbraw/zinc/06/34/08/1072063408.db2.gz NTICFFMAZAMGIL-RJZRQDKASA-N 1 2 375.429 -0.347 20 0 GBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)O1 ZINC001688492428 1072063397 /nfs/dbraw/zinc/06/33/97/1072063397.db2.gz NTICFFMAZAMGIL-RJZRQDKASA-N 1 2 375.429 -0.347 20 0 GBADLO C[N@H+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C2CC2)C1 ZINC001688496984 1072063234 /nfs/dbraw/zinc/06/32/34/1072063234.db2.gz BFZPZYWMSVJRDY-QMCVQRASSA-N 1 2 381.473 -0.524 20 0 GBADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C2CC2)C1 ZINC001688496984 1072063227 /nfs/dbraw/zinc/06/32/27/1072063227.db2.gz BFZPZYWMSVJRDY-QMCVQRASSA-N 1 2 381.473 -0.524 20 0 GBADLO C[N@H+]1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C2CC2)C1 ZINC001688496985 1072063203 /nfs/dbraw/zinc/06/32/03/1072063203.db2.gz BFZPZYWMSVJRDY-QSPRXWTASA-N 1 2 381.473 -0.524 20 0 GBADLO C[N@@H+]1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C2CC2)C1 ZINC001688496985 1072063196 /nfs/dbraw/zinc/06/31/96/1072063196.db2.gz BFZPZYWMSVJRDY-QSPRXWTASA-N 1 2 381.473 -0.524 20 0 GBADLO CN(CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)C(=O)CCNC(N)=O ZINC001688553801 1072063457 /nfs/dbraw/zinc/06/34/57/1072063457.db2.gz BNXUDRKZUYFWOE-KFWWJZLASA-N 1 2 381.477 -0.785 20 0 GBADLO CN(CCN1CCN(C(=O)Cn2cc[nH+]c2)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001688554591 1072063497 /nfs/dbraw/zinc/06/34/97/1072063497.db2.gz GERLUYDNUZUXFP-BCDMZGRMSA-N 1 2 387.484 -0.091 20 0 GBADLO CN(CCN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001688554772 1072063329 /nfs/dbraw/zinc/06/33/29/1072063329.db2.gz NBLWGLZKNQOYCN-BCDMZGRMSA-N 1 2 387.484 -0.022 20 0 GBADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001689172844 1072067486 /nfs/dbraw/zinc/06/74/86/1072067486.db2.gz ALRSWYMLHCLLOG-FPCVCCKLSA-N 1 2 376.457 -0.077 20 0 GBADLO O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001689172845 1072067354 /nfs/dbraw/zinc/06/73/54/1072067354.db2.gz ALRSWYMLHCLLOG-JJXSEGSLSA-N 1 2 376.457 -0.077 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC001689293736 1072068346 /nfs/dbraw/zinc/06/83/46/1072068346.db2.gz FEPWTEFXYSCXQS-QZNHQWIBSA-N 1 2 378.473 -0.660 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC001689293736 1072068339 /nfs/dbraw/zinc/06/83/39/1072068339.db2.gz FEPWTEFXYSCXQS-QZNHQWIBSA-N 1 2 378.473 -0.660 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC001689294134 1072067912 /nfs/dbraw/zinc/06/79/12/1072067912.db2.gz TZVHBPVYTNWOLO-LMCGPQHNSA-N 1 2 392.378 -0.010 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC001689294134 1072067902 /nfs/dbraw/zinc/06/79/02/1072067902.db2.gz TZVHBPVYTNWOLO-LMCGPQHNSA-N 1 2 392.378 -0.010 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@H+]1CC(=O)NCC(=O)NC(C)(C)C ZINC001689294136 1072068323 /nfs/dbraw/zinc/06/83/23/1072068323.db2.gz UCQYNIFLITXQIW-BZIRYSOJSA-N 1 2 380.489 -0.367 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+]1CC(=O)NCC(=O)NC(C)(C)C ZINC001689294136 1072068316 /nfs/dbraw/zinc/06/83/16/1072068316.db2.gz UCQYNIFLITXQIW-BZIRYSOJSA-N 1 2 380.489 -0.367 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC001689318830 1072068651 /nfs/dbraw/zinc/06/86/51/1072068651.db2.gz QYUSFRLNUVMCAG-IMSYWVGJSA-N 1 2 393.366 -0.925 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC001689318830 1072068639 /nfs/dbraw/zinc/06/86/39/1072068639.db2.gz QYUSFRLNUVMCAG-IMSYWVGJSA-N 1 2 393.366 -0.925 20 0 GBADLO O=C(NCC1(NC(=O)[C@]23C[C@H]2COC3)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001689605285 1072069807 /nfs/dbraw/zinc/06/98/07/1072069807.db2.gz NSOBYXLNPYFGGP-QOIOWGMHSA-N 1 2 393.484 -0.332 20 0 GBADLO O=C(NCCCN1CC[NH+]([C@@H]2CCCNC2=O)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001690061216 1072072954 /nfs/dbraw/zinc/07/29/54/1072072954.db2.gz ATHSWSDPIBKHBW-SUMCQTLJSA-N 1 2 376.501 -0.188 20 0 GBADLO O=C(NCCCN1CC[NH+]([C@H]2CCCNC2=O)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001690061220 1072072762 /nfs/dbraw/zinc/07/27/62/1072072762.db2.gz ATHSWSDPIBKHBW-UFYUIRFASA-N 1 2 376.501 -0.188 20 0 GBADLO CN1CC[C@H]([NH+]2CCN(CCNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1=O ZINC001690074457 1072072851 /nfs/dbraw/zinc/07/28/51/1072072851.db2.gz FBJLONDYZGETOF-LUKYLMHMSA-N 1 2 380.489 -0.998 20 0 GBADLO CN1CC[C@@H]([NH+]2CCN(CCNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1=O ZINC001690074458 1072072827 /nfs/dbraw/zinc/07/28/27/1072072827.db2.gz FBJLONDYZGETOF-MWDXBVQZSA-N 1 2 380.489 -0.998 20 0 GBADLO Cn1nncc1CN1CC[NH+](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001690074662 1072072785 /nfs/dbraw/zinc/07/27/85/1072072785.db2.gz NEZPARPWLQZZKP-BHYGNILZSA-N 1 2 378.477 -0.900 20 0 GBADLO Cn1cc(CN2CC[NH+](CCNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)nn1 ZINC001690074899 1072073346 /nfs/dbraw/zinc/07/33/46/1072073346.db2.gz VGNSFQQIARPOIE-BHYGNILZSA-N 1 2 378.477 -0.900 20 0 GBADLO CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001690450906 1072075186 /nfs/dbraw/zinc/07/51/86/1072075186.db2.gz SNLQERQZFZXIEX-KNCOVGOOSA-N 1 2 382.461 -0.536 20 0 GBADLO CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001690450906 1072075179 /nfs/dbraw/zinc/07/51/79/1072075179.db2.gz SNLQERQZFZXIEX-KNCOVGOOSA-N 1 2 382.461 -0.536 20 0 GBADLO CNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001690450907 1072074642 /nfs/dbraw/zinc/07/46/42/1072074642.db2.gz SNLQERQZFZXIEX-RZLSGREXSA-N 1 2 382.461 -0.536 20 0 GBADLO CNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001690450907 1072074639 /nfs/dbraw/zinc/07/46/39/1072074639.db2.gz SNLQERQZFZXIEX-RZLSGREXSA-N 1 2 382.461 -0.536 20 0 GBADLO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1nc(CS(C)(=O)=O)no1 ZINC001690604028 1072074706 /nfs/dbraw/zinc/07/47/06/1072074706.db2.gz KCZOKXUORUYWMR-QEBKJYJCSA-N 1 2 384.458 -0.368 20 0 GBADLO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1nc(CS(C)(=O)=O)no1 ZINC001690604032 1072075117 /nfs/dbraw/zinc/07/51/17/1072075117.db2.gz KCZOKXUORUYWMR-QPWDUIONSA-N 1 2 384.458 -0.368 20 0 GBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC3(COC(=O)N3)CC2)CC1 ZINC001690865985 1072077741 /nfs/dbraw/zinc/07/77/41/1072077741.db2.gz FGYPQTPUOBBDNF-UHFFFAOYSA-N 1 2 391.476 -0.171 20 0 GBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(c3cnccn3)CC2)CC1 ZINC001690866037 1072077726 /nfs/dbraw/zinc/07/77/26/1072077726.db2.gz GRQIUNBRWUBPHZ-UHFFFAOYSA-N 1 2 399.503 -0.133 20 0 GBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(c3ncccn3)CC2)CC1 ZINC001690866277 1072077886 /nfs/dbraw/zinc/07/78/86/1072077886.db2.gz MSVQAJLVSYWTHO-UHFFFAOYSA-N 1 2 399.503 -0.133 20 0 GBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001690866634 1072077781 /nfs/dbraw/zinc/07/77/81/1072077781.db2.gz XHIKQYZRHVUMQK-UHFFFAOYSA-N 1 2 377.493 -0.158 20 0 GBADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001690867695 1072077768 /nfs/dbraw/zinc/07/77/68/1072077768.db2.gz CWMCFCKHSZJAHQ-HNNXBMFYSA-N 1 2 375.477 -0.369 20 0 GBADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001690867696 1072078053 /nfs/dbraw/zinc/07/80/53/1072078053.db2.gz CWMCFCKHSZJAHQ-OAHLLOKOSA-N 1 2 375.477 -0.369 20 0 GBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)C2CC2)CC1 ZINC001690867962 1072077943 /nfs/dbraw/zinc/07/79/43/1072077943.db2.gz NERUYFAMMSCHPR-HNNXBMFYSA-N 1 2 375.477 -0.008 20 0 GBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)C2CC2)CC1 ZINC001690867963 1072077904 /nfs/dbraw/zinc/07/79/04/1072077904.db2.gz NERUYFAMMSCHPR-OAHLLOKOSA-N 1 2 375.477 -0.008 20 0 GBADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001690869952 1072078066 /nfs/dbraw/zinc/07/80/66/1072078066.db2.gz WUIXHWMYYYJIFO-UHFFFAOYSA-N 1 2 391.520 -0.033 20 0 GBADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001690963038 1072242108 /nfs/dbraw/zinc/24/21/08/1072242108.db2.gz JCPRPVAFQXDTRD-FWCYYJLNSA-N 1 2 392.500 -0.415 20 0 GBADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001690963038 1072242100 /nfs/dbraw/zinc/24/21/00/1072242100.db2.gz JCPRPVAFQXDTRD-FWCYYJLNSA-N 1 2 392.500 -0.415 20 0 GBADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001690963039 1072241763 /nfs/dbraw/zinc/24/17/63/1072241763.db2.gz JCPRPVAFQXDTRD-PITCONLNSA-N 1 2 392.500 -0.415 20 0 GBADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001690963039 1072241759 /nfs/dbraw/zinc/24/17/59/1072241759.db2.gz JCPRPVAFQXDTRD-PITCONLNSA-N 1 2 392.500 -0.415 20 0 GBADLO CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001690965928 1072244337 /nfs/dbraw/zinc/24/43/37/1072244337.db2.gz OEYZGOPMQJCRJM-UHFFFAOYSA-N 1 2 395.508 -0.289 20 0 GBADLO CC[N@@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CC(=O)Nc1cnccn1 ZINC001691033550 1072416608 /nfs/dbraw/zinc/41/66/08/1072416608.db2.gz SVBJVUWNMQLRGY-GRDNDAEWSA-N 1 2 377.445 -0.095 20 0 GBADLO CC[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CC(=O)Nc1cnccn1 ZINC001691033550 1072416604 /nfs/dbraw/zinc/41/66/04/1072416604.db2.gz SVBJVUWNMQLRGY-GRDNDAEWSA-N 1 2 377.445 -0.095 20 0 GBADLO CN(C[C@H]1CC[N@H+]1CCNS(C)(=O)=O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001691392471 1072257335 /nfs/dbraw/zinc/25/73/35/1072257335.db2.gz RBGKTKMDEBMAKN-LJISPDSOSA-N 1 2 375.491 -0.880 20 0 GBADLO CN(C[C@H]1CC[N@@H+]1CCNS(C)(=O)=O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001691392471 1072257326 /nfs/dbraw/zinc/25/73/26/1072257326.db2.gz RBGKTKMDEBMAKN-LJISPDSOSA-N 1 2 375.491 -0.880 20 0 GBADLO CN(C[C@@H]1CC[N@H+]1CCNS(C)(=O)=O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001691392472 1072257174 /nfs/dbraw/zinc/25/71/74/1072257174.db2.gz RBGKTKMDEBMAKN-ZQDZILKHSA-N 1 2 375.491 -0.880 20 0 GBADLO CN(C[C@@H]1CC[N@@H+]1CCNS(C)(=O)=O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001691392472 1072257170 /nfs/dbraw/zinc/25/71/70/1072257170.db2.gz RBGKTKMDEBMAKN-ZQDZILKHSA-N 1 2 375.491 -0.880 20 0 GBADLO CCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001691857621 1072078167 /nfs/dbraw/zinc/07/81/67/1072078167.db2.gz WCRDEHUKULGNHI-KNCOVGOOSA-N 1 2 382.461 -0.454 20 0 GBADLO CCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001691857621 1072078155 /nfs/dbraw/zinc/07/81/55/1072078155.db2.gz WCRDEHUKULGNHI-KNCOVGOOSA-N 1 2 382.461 -0.454 20 0 GBADLO CCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001691857624 1072078233 /nfs/dbraw/zinc/07/82/33/1072078233.db2.gz WCRDEHUKULGNHI-RZLSGREXSA-N 1 2 382.461 -0.454 20 0 GBADLO CCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001691857624 1072078229 /nfs/dbraw/zinc/07/82/29/1072078229.db2.gz WCRDEHUKULGNHI-RZLSGREXSA-N 1 2 382.461 -0.454 20 0 GBADLO C[C@@H](C(=O)NC(N)=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001691937437 1072079196 /nfs/dbraw/zinc/07/91/96/1072079196.db2.gz RCTVOKITCZTNFN-AYCBFJCHSA-N 1 2 393.488 -0.931 20 0 GBADLO C[C@H](C(=O)NC(N)=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001691937438 1072079279 /nfs/dbraw/zinc/07/92/79/1072079279.db2.gz RCTVOKITCZTNFN-RDGWLKQMSA-N 1 2 393.488 -0.931 20 0 GBADLO CN(CC[NH+]1CCN(CCN2CCNC2=O)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691937628 1072079065 /nfs/dbraw/zinc/07/90/65/1072079065.db2.gz YWFXVNWALUNIEJ-WKULXVSPSA-N 1 2 391.516 -0.489 20 0 GBADLO CN(CC[NH+]1CCN(Cc2cnon2)CC1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001691940875 1072078794 /nfs/dbraw/zinc/07/87/94/1072078794.db2.gz ZWEOUMCLYHBYJR-BHYGNILZSA-N 1 2 379.461 -0.303 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+]1CC(=O)NCc1ccco1 ZINC001692007144 1072078644 /nfs/dbraw/zinc/07/86/44/1072078644.db2.gz IHAFZKLKMMPDAI-XUWVNRHRSA-N 1 2 392.456 -0.102 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC001692007144 1072078635 /nfs/dbraw/zinc/07/86/35/1072078635.db2.gz IHAFZKLKMMPDAI-XUWVNRHRSA-N 1 2 392.456 -0.102 20 0 GBADLO CS(=O)(=O)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001692039513 1072078813 /nfs/dbraw/zinc/07/88/13/1072078813.db2.gz KYQVAVUDXNTXDZ-JHMPBIJASA-N 1 2 386.514 -0.260 20 0 GBADLO CS(=O)(=O)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001692039513 1072078807 /nfs/dbraw/zinc/07/88/07/1072078807.db2.gz KYQVAVUDXNTXDZ-JHMPBIJASA-N 1 2 386.514 -0.260 20 0 GBADLO CS(=O)(=O)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001692039516 1072078971 /nfs/dbraw/zinc/07/89/71/1072078971.db2.gz KYQVAVUDXNTXDZ-NEXGVSGLSA-N 1 2 386.514 -0.260 20 0 GBADLO CS(=O)(=O)CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001692039516 1072078962 /nfs/dbraw/zinc/07/89/62/1072078962.db2.gz KYQVAVUDXNTXDZ-NEXGVSGLSA-N 1 2 386.514 -0.260 20 0 GBADLO CC(C)Cc1nnc(N(C)CC[NH+]2CCOCC2)n1CCNS(C)(=O)=O ZINC001692092833 1072080005 /nfs/dbraw/zinc/08/00/05/1072080005.db2.gz ADPAAUBFYWRDME-UHFFFAOYSA-N 1 2 388.538 -0.206 20 0 GBADLO CN(CCOCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001692097665 1072079763 /nfs/dbraw/zinc/07/97/63/1072079763.db2.gz SNFBJYHHDWWORK-OFQRWUPVSA-N 1 2 381.477 -0.170 20 0 GBADLO CN(CCOCC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001692097665 1072079749 /nfs/dbraw/zinc/07/97/49/1072079749.db2.gz SNFBJYHHDWWORK-OFQRWUPVSA-N 1 2 381.477 -0.170 20 0 GBADLO C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H]1CCC[NH2+]Cc1nnn(C)n1 ZINC001692120120 1072080300 /nfs/dbraw/zinc/08/03/00/1072080300.db2.gz YZFJLSSUSLAGJH-APIJFGDWSA-N 1 2 393.492 -0.260 20 0 GBADLO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001692146909 1072079890 /nfs/dbraw/zinc/07/98/90/1072079890.db2.gz JMCDOOJARMPJLA-RZLSGREXSA-N 1 2 382.461 -0.536 20 0 GBADLO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001692146909 1072079884 /nfs/dbraw/zinc/07/98/84/1072079884.db2.gz JMCDOOJARMPJLA-RZLSGREXSA-N 1 2 382.461 -0.536 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001692185194 1072079961 /nfs/dbraw/zinc/07/99/61/1072079961.db2.gz LGYUOCNMYJYFDW-OXCLCMQMSA-N 1 2 376.457 -0.023 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001692185194 1072079954 /nfs/dbraw/zinc/07/99/54/1072079954.db2.gz LGYUOCNMYJYFDW-OXCLCMQMSA-N 1 2 376.457 -0.023 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC001692185691 1072080406 /nfs/dbraw/zinc/08/04/06/1072080406.db2.gz KTAMTCPFRFACBS-MFCZKXCZSA-N 1 2 392.500 -0.269 20 0 GBADLO CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC001692185691 1072080401 /nfs/dbraw/zinc/08/04/01/1072080401.db2.gz KTAMTCPFRFACBS-MFCZKXCZSA-N 1 2 392.500 -0.269 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC001692202021 1072080071 /nfs/dbraw/zinc/08/00/71/1072080071.db2.gz BEWWSWCTLDMLNM-ZZVYKPCYSA-N 1 2 379.461 -0.545 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC001692202021 1072080061 /nfs/dbraw/zinc/08/00/61/1072080061.db2.gz BEWWSWCTLDMLNM-ZZVYKPCYSA-N 1 2 379.461 -0.545 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001692202713 1072080440 /nfs/dbraw/zinc/08/04/40/1072080440.db2.gz OGGQAQXOZRBOSO-ZOBORPQBSA-N 1 2 387.502 -0.577 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001692202713 1072080434 /nfs/dbraw/zinc/08/04/34/1072080434.db2.gz OGGQAQXOZRBOSO-ZOBORPQBSA-N 1 2 387.502 -0.577 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+]1CC(=O)N(C)Cc1ccco1 ZINC001692203214 1072080131 /nfs/dbraw/zinc/08/01/31/1072080131.db2.gz YWHJVIJYFGUIQQ-SYAUCNOPSA-N 1 2 392.456 -0.150 20 0 GBADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1CC(=O)N(C)Cc1ccco1 ZINC001692203214 1072080118 /nfs/dbraw/zinc/08/01/18/1072080118.db2.gz YWHJVIJYFGUIQQ-SYAUCNOPSA-N 1 2 392.456 -0.150 20 0 GBADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@H]1C ZINC001692205363 1072080032 /nfs/dbraw/zinc/08/00/32/1072080032.db2.gz CUQAFDWSJCAKGR-BEAPCOKYSA-N 1 2 376.461 -0.052 20 0 GBADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@H]1C ZINC001692205363 1072080028 /nfs/dbraw/zinc/08/00/28/1072080028.db2.gz CUQAFDWSJCAKGR-BEAPCOKYSA-N 1 2 376.461 -0.052 20 0 GBADLO CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1CCS(C)(=O)=O ZINC001692543947 1072081827 /nfs/dbraw/zinc/08/18/27/1072081827.db2.gz UGXHSOOPIAIJMJ-UHFFFAOYSA-N 1 2 386.522 -0.009 20 0 GBADLO C[C@H](Cn1c(C2CC2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001692702260 1072084383 /nfs/dbraw/zinc/08/43/83/1072084383.db2.gz BWFLGPQJEDBXOK-CYBMUJFWSA-N 1 2 386.522 -0.138 20 0 GBADLO C[C@@H](Cn1c(C2CC2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001692702268 1072084283 /nfs/dbraw/zinc/08/42/83/1072084283.db2.gz BWFLGPQJEDBXOK-ZDUSSCGKSA-N 1 2 386.522 -0.138 20 0 GBADLO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001692724277 1072085292 /nfs/dbraw/zinc/08/52/92/1072085292.db2.gz VDEMZESXGMUVQR-HNNXBMFYSA-N 1 2 385.472 -0.079 20 0 GBADLO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001692724281 1072085145 /nfs/dbraw/zinc/08/51/45/1072085145.db2.gz VDEMZESXGMUVQR-OAHLLOKOSA-N 1 2 385.472 -0.079 20 0 GBADLO Cc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CC(=O)N1CCOCC1 ZINC001693385433 1072088254 /nfs/dbraw/zinc/08/82/54/1072088254.db2.gz PHRXVJCVLMNSHE-UHFFFAOYSA-N 1 2 386.460 -0.130 20 0 GBADLO Cc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCCNS(C)(=O)=O ZINC001693385462 1072088308 /nfs/dbraw/zinc/08/83/08/1072088308.db2.gz POXPJJNCRYNMAS-UHFFFAOYSA-N 1 2 394.505 -0.049 20 0 GBADLO Cc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001693464606 1072089282 /nfs/dbraw/zinc/08/92/82/1072089282.db2.gz SELREPZKRUUJPX-OAHLLOKOSA-N 1 2 386.522 -0.221 20 0 GBADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1nncn1C ZINC001693513791 1072091536 /nfs/dbraw/zinc/09/15/36/1072091536.db2.gz QNPVSIPNZATEDG-AWEZNQCLSA-N 1 2 387.492 -0.104 20 0 GBADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1nncn1C ZINC001693513796 1072091564 /nfs/dbraw/zinc/09/15/64/1072091564.db2.gz QNPVSIPNZATEDG-CQSZACIVSA-N 1 2 387.492 -0.104 20 0 GBADLO CCc1nnc(N(C)CC[NH+]2CCOCC2)n1CCCn1cc(CO)nn1 ZINC001694641784 1072096808 /nfs/dbraw/zinc/09/68/08/1072096808.db2.gz DBIPYPWUUSTEQS-UHFFFAOYSA-N 1 2 378.481 -0.217 20 0 GBADLO CCc1nnc(N(C)CCNS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001694643045 1072096738 /nfs/dbraw/zinc/09/67/38/1072096738.db2.gz KJUHMFGKTVPYFZ-UHFFFAOYSA-N 1 2 386.522 -0.309 20 0 GBADLO CCc1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001694714186 1072097365 /nfs/dbraw/zinc/09/73/65/1072097365.db2.gz KUDLFYFMWXOVOR-OAHLLOKOSA-N 1 2 377.493 -0.294 20 0 GBADLO CCc1nnc(N2CCN(C(=O)NC)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001694730822 1072098439 /nfs/dbraw/zinc/09/84/39/1072098439.db2.gz DWGUFHUQSFKHCL-UHFFFAOYSA-N 1 2 392.508 -0.534 20 0 GBADLO CCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001694733335 1072098373 /nfs/dbraw/zinc/09/83/73/1072098373.db2.gz ODUGOHSKCIYFTM-HNNXBMFYSA-N 1 2 380.493 -0.144 20 0 GBADLO CCc1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001694733336 1072098259 /nfs/dbraw/zinc/09/82/59/1072098259.db2.gz ODUGOHSKCIYFTM-OAHLLOKOSA-N 1 2 380.493 -0.144 20 0 GBADLO CCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001694736544 1072098214 /nfs/dbraw/zinc/09/82/14/1072098214.db2.gz WNAIMPPXLWQCKE-AWEZNQCLSA-N 1 2 377.493 -0.329 20 0 GBADLO CCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001694736545 1072098649 /nfs/dbraw/zinc/09/86/49/1072098649.db2.gz WNAIMPPXLWQCKE-CQSZACIVSA-N 1 2 377.493 -0.329 20 0 GBADLO CCc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001694751721 1072099008 /nfs/dbraw/zinc/09/90/08/1072099008.db2.gz NUTBHCCDVMYSGK-INIZCTEOSA-N 1 2 389.504 -0.184 20 0 GBADLO CCc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001694751723 1072099129 /nfs/dbraw/zinc/09/91/29/1072099129.db2.gz NUTBHCCDVMYSGK-MRXNPFEDSA-N 1 2 389.504 -0.184 20 0 GBADLO CCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001694754820 1072098980 /nfs/dbraw/zinc/09/89/80/1072098980.db2.gz YEBJZSSOZURQFJ-AWEZNQCLSA-N 1 2 378.477 -0.344 20 0 GBADLO CCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001694754860 1072099398 /nfs/dbraw/zinc/09/93/98/1072099398.db2.gz YEBJZSSOZURQFJ-CQSZACIVSA-N 1 2 378.477 -0.344 20 0 GBADLO CCOCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001696341387 1072106514 /nfs/dbraw/zinc/10/65/14/1072106514.db2.gz IRBJKMSTSKYOPK-CABCVRRESA-N 1 2 396.492 -0.514 20 0 GBADLO CCOCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001696341396 1072106797 /nfs/dbraw/zinc/10/67/97/1072106797.db2.gz IRBJKMSTSKYOPK-GJZGRUSLSA-N 1 2 396.492 -0.514 20 0 GBADLO CCOCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001696341399 1072106659 /nfs/dbraw/zinc/10/66/59/1072106659.db2.gz IRBJKMSTSKYOPK-HUUCEWRRSA-N 1 2 396.492 -0.514 20 0 GBADLO CCOCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001696341402 1072106756 /nfs/dbraw/zinc/10/67/56/1072106756.db2.gz IRBJKMSTSKYOPK-LSDHHAIUSA-N 1 2 396.492 -0.514 20 0 GBADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CC(C)(C)O ZINC001696824829 1072111465 /nfs/dbraw/zinc/11/14/65/1072111465.db2.gz GZOPEVYZPGHDJQ-UHFFFAOYSA-N 1 2 380.493 -0.060 20 0 GBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1Cc1cnnn1C ZINC001696824966 1072111539 /nfs/dbraw/zinc/11/15/39/1072111539.db2.gz AETDSTKYCIRLCQ-AWEZNQCLSA-N 1 2 376.465 -0.273 20 0 GBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1Cc1cnnn1C ZINC001696824968 1072111313 /nfs/dbraw/zinc/11/13/13/1072111313.db2.gz AETDSTKYCIRLCQ-CQSZACIVSA-N 1 2 376.465 -0.273 20 0 GBADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@H]1COCCO1 ZINC001696825255 1072111289 /nfs/dbraw/zinc/11/12/89/1072111289.db2.gz DSHMCNKDRONGBL-INIZCTEOSA-N 1 2 391.476 -0.138 20 0 GBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cncn1 ZINC001696825707 1072111523 /nfs/dbraw/zinc/11/15/23/1072111523.db2.gz HGKZXGOHPSVCTH-AWEZNQCLSA-N 1 2 389.464 -0.711 20 0 GBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CCn1cncn1 ZINC001696825708 1072111579 /nfs/dbraw/zinc/11/15/79/1072111579.db2.gz HGKZXGOHPSVCTH-CQSZACIVSA-N 1 2 389.464 -0.711 20 0 GBADLO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001697022120 1072118183 /nfs/dbraw/zinc/11/81/83/1072118183.db2.gz FQUZAZUZNOAPIY-UHFFFAOYSA-N 1 2 397.505 -0.409 20 0 GBADLO COc1cc[nH+]cc1Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1 ZINC001697630385 1072120535 /nfs/dbraw/zinc/12/05/35/1072120535.db2.gz LRHSWSMLKGKHDZ-UHFFFAOYSA-N 1 2 385.428 -0.098 20 0 GBADLO COCC(=O)N1CCN(c2nnc(C)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001697707005 1072120567 /nfs/dbraw/zinc/12/05/67/1072120567.db2.gz YHEKJFIWIGFMIY-UHFFFAOYSA-N 1 2 378.477 -0.254 20 0 GBADLO