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[N@@H+](CCO)Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000000850394 483395409 /nfs/dbraw/zinc/39/54/09/483395409.db2.gz XXVDVZFDOWMKLD-UHFFFAOYSA-N 1 1 357.414 -0.072 50 0 FBAAMO C[NH+]1CCN(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000003217384 484969141 /nfs/dbraw/zinc/96/91/41/484969141.db2.gz DIXZIPCSLGVFPH-UHFFFAOYSA-N 1 1 368.459 -0.400 50 0 FBAAMO Cc1cn([C@@H]2O[C@H](CO)[C@H](OC(=O)c3ccccc3)[C@H]2[NH3+])c(=O)[nH]c1=O ZINC000004016694 204118522 /nfs/dbraw/zinc/11/85/22/204118522.db2.gz NKNJIZYMKACUSI-GUIRCDHDSA-N 1 1 361.354 -0.712 50 0 FBAAMO COCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(CCOC)c(=O)n1C ZINC000004316680 207011833 /nfs/dbraw/zinc/01/18/33/207011833.db2.gz XJOXRIDBLWFNHM-LLVKDONJSA-N 1 1 364.406 -0.054 50 0 FBAAMO COCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(CCOC)c(=O)n1C ZINC000004316682 207011918 /nfs/dbraw/zinc/01/19/18/207011918.db2.gz XJOXRIDBLWFNHM-NSHDSACASA-N 1 1 364.406 -0.054 50 0 FBAAMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000004690184 571161879 /nfs/dbraw/zinc/16/18/79/571161879.db2.gz ZSFQBEOFPCUSEA-UHFFFAOYSA-N 1 1 354.432 -0.222 50 0 FBAAMO COCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(CCOC)c(=O)n1C ZINC000005148171 485314124 /nfs/dbraw/zinc/31/41/24/485314124.db2.gz UKDLOELXYIRBML-UHFFFAOYSA-N 1 1 350.379 -0.615 50 0 FBAAMO Cn1cnc2c1c(=O)n(CC[N@@H+](CCO)Cc1ccccc1)c(=O)n2C ZINC000005286118 483999579 /nfs/dbraw/zinc/99/95/79/483999579.db2.gz WDAGGLYXXGNHNH-UHFFFAOYSA-N 1 1 357.414 -0.072 50 0 FBAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000007007723 484288818 /nfs/dbraw/zinc/28/88/18/484288818.db2.gz MUWDZAJNRPPCCA-JTQLQIEISA-N 1 1 354.432 -0.142 50 0 FBAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000007007724 484288935 /nfs/dbraw/zinc/28/89/35/484288935.db2.gz MUWDZAJNRPPCCA-SNVBAGLBSA-N 1 1 354.432 -0.142 50 0 FBAAMO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CCOCC1)c1ccsc1 ZINC000008863613 206219699 /nfs/dbraw/zinc/21/96/99/206219699.db2.gz DSSNIYYIHNJPGP-AWEZNQCLSA-N 1 1 354.476 -0.085 50 0 FBAAMO C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CCOCC1)c1ccsc1 ZINC000008863615 485074063 /nfs/dbraw/zinc/07/40/63/485074063.db2.gz DSSNIYYIHNJPGP-CQSZACIVSA-N 1 1 354.476 -0.085 50 0 FBAAMO CN1c2ccccc2[C@@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000009184374 207259301 /nfs/dbraw/zinc/25/93/01/207259301.db2.gz CGMRKKRCBOXTPI-OAHLLOKOSA-N 1 1 360.414 -0.341 50 0 FBAAMO C[NH+]1CCN(c2ncc3c(ccn(CCN4CCOCC4)c3=O)n2)CC1 ZINC000009290381 483432134 /nfs/dbraw/zinc/43/21/34/483432134.db2.gz ADORBYIEYAVHAK-UHFFFAOYSA-N 1 1 358.446 -0.125 50 0 FBAAMO CC1=[NH+]N(CC(N)=O)c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C1 ZINC000010334108 204394835 /nfs/dbraw/zinc/39/48/35/204394835.db2.gz RJLCJEXQVQYJJG-UHFFFAOYSA-N 1 1 361.406 -0.376 50 0 FBAAMO CCCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CC(N)=O)n(C)c1=O ZINC000010387028 210370161 /nfs/dbraw/zinc/37/01/61/210370161.db2.gz NABUYUPVPGSNKS-SNVBAGLBSA-N 1 1 361.406 -0.061 50 0 FBAAMO CCCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3CC(N)=O)n(C)c1=O ZINC000010387030 219902388 /nfs/dbraw/zinc/90/23/88/219902388.db2.gz NABUYUPVPGSNKS-JTQLQIEISA-N 1 1 361.406 -0.061 50 0 FBAAMO CCCCCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CC(N)=O)n(C)c1=O ZINC000010387037 485142992 /nfs/dbraw/zinc/14/29/92/485142992.db2.gz KQQBHNZFXDNOFG-UHFFFAOYSA-N 1 1 361.406 -0.232 50 0 FBAAMO COCC[NH+]1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)CC1 ZINC000011715872 483450946 /nfs/dbraw/zinc/45/09/46/483450946.db2.gz ZZXVLKFRCFLXQI-MRXNPFEDSA-N 1 1 364.446 -0.239 50 0 FBAAMO COCC[NH+]1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)CC1 ZINC000011715875 483451077 /nfs/dbraw/zinc/45/10/77/483451077.db2.gz ZZXVLKFRCFLXQI-INIZCTEOSA-N 1 1 364.446 -0.239 50 0 FBAAMO COCCN1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2C2CCCC2)CC1 ZINC000011813275 660445716 /nfs/dbraw/zinc/44/57/16/660445716.db2.gz XOJGPPUMXINCJD-MRXNPFEDSA-N 1 1 352.479 -0.090 50 0 FBAAMO COCCN1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)CC1 ZINC000011813278 660445727 /nfs/dbraw/zinc/44/57/27/660445727.db2.gz XOJGPPUMXINCJD-INIZCTEOSA-N 1 1 352.479 -0.090 50 0 FBAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)NCCN1CCOC1=O ZINC000011878461 483451473 /nfs/dbraw/zinc/45/14/73/483451473.db2.gz BQHHZOJSHSVCOZ-INIZCTEOSA-N 1 1 374.441 -0.012 50 0 FBAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1)NCCN1CCOC1=O ZINC000011878461 483451467 /nfs/dbraw/zinc/45/14/67/483451467.db2.gz BQHHZOJSHSVCOZ-INIZCTEOSA-N 1 1 374.441 -0.012 50 0 FBAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)NCCN1CCOC1=O ZINC000011878462 207327300 /nfs/dbraw/zinc/32/73/00/207327300.db2.gz BQHHZOJSHSVCOZ-MRXNPFEDSA-N 1 1 374.441 -0.012 50 0 FBAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1)NCCN1CCOC1=O ZINC000011878462 207327298 /nfs/dbraw/zinc/32/72/98/207327298.db2.gz BQHHZOJSHSVCOZ-MRXNPFEDSA-N 1 1 374.441 -0.012 50 0 FBAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000011949925 207330659 /nfs/dbraw/zinc/33/06/59/207330659.db2.gz YTIUKSGVNKVDEC-HNNXBMFYSA-N 1 1 360.462 -0.028 50 0 FBAAMO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000011949925 207330658 /nfs/dbraw/zinc/33/06/58/207330658.db2.gz YTIUKSGVNKVDEC-HNNXBMFYSA-N 1 1 360.462 -0.028 50 0 FBAAMO CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000011949931 207331924 /nfs/dbraw/zinc/33/19/24/207331924.db2.gz YTIUKSGVNKVDEC-OAHLLOKOSA-N 1 1 360.462 -0.028 50 0 FBAAMO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000011949931 207331920 /nfs/dbraw/zinc/33/19/20/207331920.db2.gz YTIUKSGVNKVDEC-OAHLLOKOSA-N 1 1 360.462 -0.028 50 0 FBAAMO Cn1c2sc(C(=O)NCCC[NH+]3CCOCC3)cc2c(=O)n(C)c1=O ZINC000012422730 207373159 /nfs/dbraw/zinc/37/31/59/207373159.db2.gz VZBGVHPGABSITK-UHFFFAOYSA-N 1 1 366.443 -0.249 50 0 FBAAMO COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000012429542 207374289 /nfs/dbraw/zinc/37/42/89/207374289.db2.gz JPGOLGQXXYJFDI-INIZCTEOSA-N 1 1 359.426 -0.024 50 0 FBAAMO COC(=O)CN(C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000012429542 207374283 /nfs/dbraw/zinc/37/42/83/207374283.db2.gz JPGOLGQXXYJFDI-INIZCTEOSA-N 1 1 359.426 -0.024 50 0 FBAAMO COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000012429543 207373632 /nfs/dbraw/zinc/37/36/32/207373632.db2.gz JPGOLGQXXYJFDI-MRXNPFEDSA-N 1 1 359.426 -0.024 50 0 FBAAMO COC(=O)CN(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000012429543 207373629 /nfs/dbraw/zinc/37/36/29/207373629.db2.gz JPGOLGQXXYJFDI-MRXNPFEDSA-N 1 1 359.426 -0.024 50 0 FBAAMO CC(C)N(C)Cc1nnnn1CC(=O)N(C)CCC[NH+]1CCOCC1 ZINC000012595987 207399730 /nfs/dbraw/zinc/39/97/30/207399730.db2.gz ZLCMZPBODIPKLP-UHFFFAOYSA-N 1 1 353.471 -0.306 50 0 FBAAMO CN(C)S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000013677038 220084383 /nfs/dbraw/zinc/08/43/83/220084383.db2.gz WQVNJHJJVFHGPI-UHFFFAOYSA-N 1 1 362.496 -0.657 50 0 FBAAMO CCOC(=O)N1CCN(C(=O)CN2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000013694326 220087325 /nfs/dbraw/zinc/08/73/25/220087325.db2.gz JFQFQHLYYSWVNY-UHFFFAOYSA-N 1 1 364.450 -0.157 50 0 FBAAMO NC(=O)C[NH+]1CCC(NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000014141131 206308830 /nfs/dbraw/zinc/30/88/30/206308830.db2.gz URROKVIOSVEFED-UHFFFAOYSA-N 1 1 358.398 -0.261 50 0 FBAAMO CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000014141133 211079088 /nfs/dbraw/zinc/07/90/88/211079088.db2.gz HPDUDVKQMUFIED-UHFFFAOYSA-N 1 1 368.459 -0.384 50 0 FBAAMO NC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000014245357 206310915 /nfs/dbraw/zinc/31/09/15/206310915.db2.gz RJPVNPOFJOODJZ-UHFFFAOYSA-N 1 1 355.420 -0.595 50 0 FBAAMO COC(=O)CC[N@@H+]1CC(=O)N(CCCN2CCCC2=O)C[C@H](OC)C1 ZINC000014751156 662142203 /nfs/dbraw/zinc/14/22/03/662142203.db2.gz CPOMDGQWVXUBBV-CQSZACIVSA-N 1 1 355.435 -0.279 50 0 FBAAMO COC(=O)CC[N@H+]1CC(=O)N(CCCN2CCCC2=O)C[C@H](OC)C1 ZINC000014751156 662142200 /nfs/dbraw/zinc/14/22/00/662142200.db2.gz CPOMDGQWVXUBBV-CQSZACIVSA-N 1 1 355.435 -0.279 50 0 FBAAMO COC(=O)CC[N@@H+]1CC(=O)N(CCCN2CCCC2=O)C[C@@H](OC)C1 ZINC000014751158 662142197 /nfs/dbraw/zinc/14/21/97/662142197.db2.gz CPOMDGQWVXUBBV-AWEZNQCLSA-N 1 1 355.435 -0.279 50 0 FBAAMO COC(=O)CC[N@H+]1CC(=O)N(CCCN2CCCC2=O)C[C@@H](OC)C1 ZINC000014751158 662142196 /nfs/dbraw/zinc/14/21/96/662142196.db2.gz CPOMDGQWVXUBBV-AWEZNQCLSA-N 1 1 355.435 -0.279 50 0 FBAAMO CN1CCN(C(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)CC1 ZINC000015678757 484108133 /nfs/dbraw/zinc/10/81/33/484108133.db2.gz PJOGPADPFPWHOH-UHFFFAOYSA-N 1 1 372.477 -0.417 50 0 FBAAMO C[NH+]1CCN(c2ccc3nnc(CCC(=O)N4CCOCC4)n3n2)CC1 ZINC000015678760 483476538 /nfs/dbraw/zinc/47/65/38/483476538.db2.gz OOTLETFJMBLSPZ-UHFFFAOYSA-N 1 1 359.434 -0.333 50 0 FBAAMO Cn1c(=O)c(C(=O)N2CC[NH+](C)CC2)nn(-c2ccc(Cl)cc2)c1=O ZINC000015786505 484256513 /nfs/dbraw/zinc/25/65/13/484256513.db2.gz GDNXLVMJHBKBGA-UHFFFAOYSA-N 1 1 363.805 -0.028 50 0 FBAAMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC000015868905 211149633 /nfs/dbraw/zinc/14/96/33/211149633.db2.gz NHOMZROWCOJHSR-UHFFFAOYSA-N 1 1 361.489 -0.068 50 0 FBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016022081 483478884 /nfs/dbraw/zinc/47/88/84/483478884.db2.gz ZKORIKIQARBDPT-SXFINXCBSA-N 1 1 359.382 -0.566 50 0 FBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016022197 483478958 /nfs/dbraw/zinc/47/89/58/483478958.db2.gz APGQXYKDXFQABD-PCJHOPARSA-N 1 1 373.409 -0.176 50 0 FBAAMO Cc1ccc(S(=O)(=O)NCCNC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000019211913 220239715 /nfs/dbraw/zinc/23/97/15/220239715.db2.gz PFAVBKSWWCLTQI-UHFFFAOYSA-N 1 1 354.476 -0.363 50 0 FBAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)CCn1nnnc1CN1CCOCC1 ZINC000019220649 211205477 /nfs/dbraw/zinc/20/54/77/211205477.db2.gz SOUAQVHQMWTMFZ-OAHLLOKOSA-N 1 1 365.482 -0.162 50 0 FBAAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)CCn1nnnc1CN1CCOCC1 ZINC000019220654 211206242 /nfs/dbraw/zinc/20/62/42/211206242.db2.gz SOUAQVHQMWTMFZ-HNNXBMFYSA-N 1 1 365.482 -0.162 50 0 FBAAMO Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000019223984 220241801 /nfs/dbraw/zinc/24/18/01/220241801.db2.gz FIMNWKQPSLUVIQ-GOSISDBHSA-N 1 1 374.485 -0.178 50 0 FBAAMO CCOC(=O)CN(C)C(=O)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019226509 211206382 /nfs/dbraw/zinc/20/63/82/211206382.db2.gz IBKACBUJRDEJGK-OAHLLOKOSA-N 1 1 369.462 -0.031 50 0 FBAAMO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000019368234 484056161 /nfs/dbraw/zinc/05/61/61/484056161.db2.gz RTSCDXUIFPYRBY-UHFFFAOYSA-N 1 1 370.475 -0.290 50 0 FBAAMO OCC[NH+]1CCN(C[C@@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019771055 483488025 /nfs/dbraw/zinc/48/80/25/483488025.db2.gz KXOIZCPBGCKCLU-HZPDHXFCSA-N 1 1 352.431 -0.186 50 0 FBAAMO OCC[NH+]1CCN(C[C@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019771056 483488888 /nfs/dbraw/zinc/48/88/88/483488888.db2.gz KXOIZCPBGCKCLU-JKSUJKDBSA-N 1 1 352.431 -0.186 50 0 FBAAMO OCC[NH+]1CCN(C[C@@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019771057 483488412 /nfs/dbraw/zinc/48/84/12/483488412.db2.gz KXOIZCPBGCKCLU-CVEARBPZSA-N 1 1 352.431 -0.186 50 0 FBAAMO OCC[NH+]1CCN(C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019771058 483489113 /nfs/dbraw/zinc/48/91/13/483489113.db2.gz KXOIZCPBGCKCLU-HOTGVXAUSA-N 1 1 352.431 -0.186 50 0 FBAAMO O=S(=O)(c1ccc(N2CC[NH+](CCO)CC2)nc1)N1CCOCC1 ZINC000019815584 527277835 /nfs/dbraw/zinc/27/78/35/527277835.db2.gz QLVSAYQCVUJUQS-UHFFFAOYSA-N 1 1 356.448 -0.783 50 0 FBAAMO CCN(CCN(CC)CC(N)=O)CC[N@@H+](CC)CCN(CC)CC(N)=O ZINC000019898991 483488930 /nfs/dbraw/zinc/48/89/30/483488930.db2.gz YWMZCDYLTJCEJT-UHFFFAOYSA-N 1 1 372.558 -0.755 50 0 FBAAMO O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)NCCC[NH+]1CCOCC1 ZINC000019932483 527428694 /nfs/dbraw/zinc/42/86/94/527428694.db2.gz XGLAEYYZFSOABO-UHFFFAOYSA-N 1 1 374.401 -0.093 50 0 FBAAMO C[NH+]1CCN(CC(=O)OCCNC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000019956949 523893155 /nfs/dbraw/zinc/89/31/55/523893155.db2.gz NKIPGGJHEAPYAX-UHFFFAOYSA-N 1 1 366.443 -0.484 50 0 FBAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000019973502 527670118 /nfs/dbraw/zinc/67/01/18/527670118.db2.gz CPSUENMYKDSCIH-CQSZACIVSA-N 1 1 363.414 -0.219 50 0 FBAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000019973503 527669692 /nfs/dbraw/zinc/66/96/92/527669692.db2.gz CPSUENMYKDSCIH-AWEZNQCLSA-N 1 1 363.414 -0.219 50 0 FBAAMO CCn1c(=O)c2c(nc3n2cc(C)n3CC[NH+]2CCOCC2)n(C)c1=O ZINC000020061982 206328813 /nfs/dbraw/zinc/32/88/13/206328813.db2.gz JHRFODMREXRWDF-UHFFFAOYSA-N 1 1 360.418 -0.190 50 0 FBAAMO CCN1CC[NH+](CCn2c(C)cn3c2nc2c3c(=O)[nH]c(=O)n2C)CC1 ZINC000020062051 483489973 /nfs/dbraw/zinc/48/99/73/483489973.db2.gz DAXIIRVCXORNGT-UHFFFAOYSA-N 1 1 359.434 -0.378 50 0 FBAAMO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(C)CC1 ZINC000020062063 220310484 /nfs/dbraw/zinc/31/04/84/220310484.db2.gz LZEXLURPNGGLGS-UHFFFAOYSA-N 1 1 359.434 -0.460 50 0 FBAAMO CCN1CC[NH+](CCn2c(C)c(C)n3c2nc2c3c(=O)[nH]c(=O)n2C)CC1 ZINC000020062065 220310551 /nfs/dbraw/zinc/31/05/51/220310551.db2.gz GJPHSANXQWQUNP-UHFFFAOYSA-N 1 1 373.461 -0.070 50 0 FBAAMO C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2)CC1 ZINC000020101043 220312307 /nfs/dbraw/zinc/31/23/07/220312307.db2.gz MLBLVTPUPMSCNK-INIZCTEOSA-N 1 1 373.457 -0.410 50 0 FBAAMO C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)CC1 ZINC000020101046 211268395 /nfs/dbraw/zinc/26/83/95/211268395.db2.gz MLBLVTPUPMSCNK-MRXNPFEDSA-N 1 1 373.457 -0.410 50 0 FBAAMO C[NH+]1CCN(C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000020103672 523869728 /nfs/dbraw/zinc/86/97/28/523869728.db2.gz ZEFQRNCENIVDFF-UHFFFAOYSA-N 1 1 357.414 -0.323 50 0 FBAAMO Cc1nc2c(c(C)c1CCC(=O)N1CC[NH+](C)CC1)c(=O)n(C)c(=O)n2C ZINC000020283934 484849213 /nfs/dbraw/zinc/84/92/13/484849213.db2.gz UHDAOXAJARLJOL-UHFFFAOYSA-N 1 1 373.457 -0.044 50 0 FBAAMO C[NH+]1CCN(CC(=O)NN2CC(=O)N(c3ccc(F)cc3)CC2=O)CC1 ZINC000020432197 483490765 /nfs/dbraw/zinc/49/07/65/483490765.db2.gz JIFLGTSPZRCCKW-UHFFFAOYSA-N 1 1 363.393 -0.721 50 0 FBAAMO C[NH+]1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 ZINC000020500330 220329939 /nfs/dbraw/zinc/32/99/39/220329939.db2.gz OKKCYTPIAPHFFS-UHFFFAOYSA-N 1 1 355.416 -0.045 50 0 FBAAMO CCn1cc(NC(=O)Cn2ncc(N3CCC[N@@H+](C)CC3)cc2=O)nn1 ZINC000020541819 523416956 /nfs/dbraw/zinc/41/69/56/523416956.db2.gz PIGSVDZALQFIOT-UHFFFAOYSA-N 1 1 360.422 -0.365 50 0 FBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000020548770 483490622 /nfs/dbraw/zinc/49/06/22/483490622.db2.gz ZKORIKIQARBDPT-RQAVHYDGSA-N 1 1 359.382 -0.566 50 0 FBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000020565806 220333710 /nfs/dbraw/zinc/33/37/10/220333710.db2.gz APGQXYKDXFQABD-CFZBIGKESA-N 1 1 373.409 -0.176 50 0 FBAAMO O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCC[NH+]1CCOCC1 ZINC000020568024 526720210 /nfs/dbraw/zinc/72/02/10/526720210.db2.gz SHEWDUUJGVYXNH-UHFFFAOYSA-N 1 1 367.427 -0.330 50 0 FBAAMO CN1c2ccccc2[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000020621815 524036083 /nfs/dbraw/zinc/03/60/83/524036083.db2.gz CGMRKKRCBOXTPI-HNNXBMFYSA-N 1 1 360.414 -0.341 50 0 FBAAMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cn1cnc2ccccc2c1=O ZINC000020623473 522437371 /nfs/dbraw/zinc/43/73/71/522437371.db2.gz FQNPOKBXDBOCIG-UHFFFAOYSA-N 1 1 357.414 -0.371 50 0 FBAAMO Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CC[NH+]1CCN(C)CC1 ZINC000020647667 483491632 /nfs/dbraw/zinc/49/16/32/483491632.db2.gz ZFQAOXNIBGNCOV-UHFFFAOYSA-N 1 1 373.461 -0.449 50 0 FBAAMO O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCCC[NH+]1CCOCC1 ZINC000020676797 526667804 /nfs/dbraw/zinc/66/78/04/526667804.db2.gz WSVXVBNZGIXNFA-UHFFFAOYSA-N 1 1 360.414 -0.082 50 0 FBAAMO CCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC000020688089 521661657 /nfs/dbraw/zinc/66/16/57/521661657.db2.gz CALQKPJVEXVZFV-UHFFFAOYSA-N 1 1 360.524 -0.198 50 0 FBAAMO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCCN1CC[NH+](C)CC1 ZINC000020714109 220338961 /nfs/dbraw/zinc/33/89/61/220338961.db2.gz FYOYDWNBVBAJLF-UHFFFAOYSA-N 1 1 373.461 -0.070 50 0 FBAAMO CCOC(=O)N1CCN(c2c(=O)c(=O)c2N(CC)CC[NH+](C)C)CC1 ZINC000021522463 484864934 /nfs/dbraw/zinc/86/49/34/484864934.db2.gz DYVCGTFIZJHTQW-UHFFFAOYSA-N 1 1 352.435 -0.051 50 0 FBAAMO Cn1c(=O)c(C(=O)CN2CC[NH+](C)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000022029812 211334491 /nfs/dbraw/zinc/33/44/91/211334491.db2.gz KGPQXCRHBLILQO-UHFFFAOYSA-N 1 1 371.441 -0.392 50 0 FBAAMO CN1CC[NH+](CCCNC(=O)c2cc(CN3CCOCC3)on2)CC1 ZINC000022937520 483472932 /nfs/dbraw/zinc/47/29/32/483472932.db2.gz DAACPZLUYUHZSA-UHFFFAOYSA-N 1 1 351.451 -0.126 50 0 FBAAMO Cn1c(N)c(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000023249683 211382675 /nfs/dbraw/zinc/38/26/75/211382675.db2.gz LIEPLYRBXGIXPO-UHFFFAOYSA-N 1 1 371.441 -0.333 50 0 FBAAMO Cc1nc(CNC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)cc(=O)[nH]1 ZINC000023541874 136153056 /nfs/dbraw/zinc/15/30/56/136153056.db2.gz FHDZXTJYDARYNS-UHFFFAOYSA-N 1 1 357.418 -0.141 50 0 FBAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)NC(=O)NC1 ZINC000024677430 483499747 /nfs/dbraw/zinc/49/97/47/483499747.db2.gz JUTKREWTIRACLQ-UHFFFAOYSA-N 1 1 367.450 -0.788 50 0 FBAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000025234528 484248094 /nfs/dbraw/zinc/24/80/94/484248094.db2.gz YLWBSFYUGZYBTG-UHFFFAOYSA-N 1 1 359.386 -0.843 50 0 FBAAMO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000029483927 483508970 /nfs/dbraw/zinc/50/89/70/483508970.db2.gz NDJJOFCSGGFYEF-UHFFFAOYSA-N 1 1 357.432 -0.205 50 0 FBAAMO CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000030758821 483514306 /nfs/dbraw/zinc/51/43/06/483514306.db2.gz PQZLDHDWDFPJCW-CQSZACIVSA-N 1 1 362.496 -0.657 50 0 FBAAMO CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000030758825 483514508 /nfs/dbraw/zinc/51/45/08/483514508.db2.gz PQZLDHDWDFPJCW-AWEZNQCLSA-N 1 1 362.496 -0.657 50 0 FBAAMO NC(=O)C[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)CC1 ZINC000032809863 483878382 /nfs/dbraw/zinc/87/83/82/483878382.db2.gz UPNKHJXFDAWIIC-UHFFFAOYSA-N 1 1 358.402 -0.998 50 0 FBAAMO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)ccc1-n1cnnn1 ZINC000032937294 211576067 /nfs/dbraw/zinc/57/60/67/211576067.db2.gz AHFIHVYBCABQQR-UHFFFAOYSA-N 1 1 373.417 -0.252 50 0 FBAAMO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](C)CC1)C(=O)CO2 ZINC000035376930 484356365 /nfs/dbraw/zinc/35/63/65/484356365.db2.gz UOHIRGOVUPDOKR-UHFFFAOYSA-N 1 1 360.414 -0.112 50 0 FBAAMO C[NH+]1CCN(CC(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2)CC1 ZINC000036646203 205019577 /nfs/dbraw/zinc/01/95/77/205019577.db2.gz PNTKQBHNDPKLGD-UHFFFAOYSA-N 1 1 357.418 -0.389 50 0 FBAAMO Cc1[nH+]ccn1CCCNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000040151690 208235316 /nfs/dbraw/zinc/23/53/16/208235316.db2.gz RTCIZHRXYRQBHR-UHFFFAOYSA-N 1 1 356.386 -0.043 50 0 FBAAMO COC(=O)c1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)ccc1O ZINC000040266249 485111308 /nfs/dbraw/zinc/11/13/08/485111308.db2.gz JVSPECOXFWIMLU-UHFFFAOYSA-N 1 1 365.386 -0.044 50 0 FBAAMO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000040268277 205064328 /nfs/dbraw/zinc/06/43/28/205064328.db2.gz SKNLEFMSMMLPLC-UHFFFAOYSA-N 1 1 373.417 -0.252 50 0 FBAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(CC(=O)N2CCOCC2)no1 ZINC000044893943 208319543 /nfs/dbraw/zinc/31/95/43/208319543.db2.gz XJWNPHADFIUJDU-GFCCVEGCSA-N 1 1 351.407 -0.315 50 0 FBAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(CC(=O)N2CCOCC2)no1 ZINC000044893946 208320574 /nfs/dbraw/zinc/32/05/74/208320574.db2.gz XJWNPHADFIUJDU-LBPRGKRZSA-N 1 1 351.407 -0.315 50 0 FBAAMO CCS(=O)(=O)N(CCC[NH+]1CCCC1)CCC(=O)N1CCNCC1 ZINC000045945164 205127544 /nfs/dbraw/zinc/12/75/44/205127544.db2.gz JGMZIMRONFPOSX-UHFFFAOYSA-N 1 1 360.524 -0.054 50 0 FBAAMO C[N@@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C1CC1 ZINC000048264906 205154838 /nfs/dbraw/zinc/15/48/38/205154838.db2.gz HPLYYHZDADDTFE-UHFFFAOYSA-N 1 1 356.448 -0.140 50 0 FBAAMO COc1nn(C)cc1C(=O)N1CCC(C(=O)NN2CC[NH+](C)CC2)CC1 ZINC000049030501 221016733 /nfs/dbraw/zinc/01/67/33/221016733.db2.gz YWMUZEABCSNKQT-UHFFFAOYSA-N 1 1 364.450 -0.441 50 0 FBAAMO CN1c2ccccc2[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(C)CC2)C1=O ZINC000049545823 221024621 /nfs/dbraw/zinc/02/46/21/221024621.db2.gz IMXZXBNPQHUOBF-INIZCTEOSA-N 1 1 373.457 -0.426 50 0 FBAAMO Cc1nn2cc(CCNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)nc2s1 ZINC000055052642 205204747 /nfs/dbraw/zinc/20/47/47/205204747.db2.gz MBPDYMUXIOJQDY-LLVKDONJSA-N 1 1 350.448 -0.045 50 0 FBAAMO Cc1nn2cc(CCNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)nc2s1 ZINC000055052645 484504191 /nfs/dbraw/zinc/50/41/91/484504191.db2.gz MBPDYMUXIOJQDY-NSHDSACASA-N 1 1 350.448 -0.045 50 0 FBAAMO C[NH+]1CCN([C@H]2CN(C(=O)CCC(=O)NC3CCCC3)C[C@@H]2O)CC1 ZINC000055325703 483671483 /nfs/dbraw/zinc/67/14/83/483671483.db2.gz WPJFBRJLVGRNNW-HOTGVXAUSA-N 1 1 352.479 -0.356 50 0 FBAAMO Cc1cc(=O)[nH]c(NCCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)n1 ZINC000055359467 483671514 /nfs/dbraw/zinc/67/15/14/483671514.db2.gz HZCQJSRPEIUVOH-GFCCVEGCSA-N 1 1 350.423 -0.795 50 0 FBAAMO Cc1cc(=O)[nH]c(NCCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)n1 ZINC000055359467 483671513 /nfs/dbraw/zinc/67/15/13/483671513.db2.gz HZCQJSRPEIUVOH-GFCCVEGCSA-N 1 1 350.423 -0.795 50 0 FBAAMO Cc1cc(=O)[nH]c(NCCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)n1 ZINC000055359470 483671052 /nfs/dbraw/zinc/67/10/52/483671052.db2.gz HZCQJSRPEIUVOH-LBPRGKRZSA-N 1 1 350.423 -0.795 50 0 FBAAMO Cc1cc(=O)[nH]c(NCCNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)n1 ZINC000055359470 483671050 /nfs/dbraw/zinc/67/10/50/483671050.db2.gz HZCQJSRPEIUVOH-LBPRGKRZSA-N 1 1 350.423 -0.795 50 0 FBAAMO CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CC[N@@H+](C)C[C@H]32)C1=O ZINC000057122068 136128333 /nfs/dbraw/zinc/12/83/33/136128333.db2.gz QETGJPFRLXXLAO-AWEZNQCLSA-N 1 1 357.414 -0.018 50 0 FBAAMO CC[NH+]1CCN(C(=O)c2cc(OCC(=O)N3CCOCC3)n(C)n2)CC1 ZINC000057312502 206383760 /nfs/dbraw/zinc/38/37/60/206383760.db2.gz NYCTUVXLCZQMAX-UHFFFAOYSA-N 1 1 365.434 -0.565 50 0 FBAAMO Cn1c(N)c(C(=O)C[N@@H+](CCC(N)=O)Cc2ccccc2)c(=O)n(C)c1=O ZINC000057335999 205236814 /nfs/dbraw/zinc/23/68/14/205236814.db2.gz MINJVQFIMDLRPU-UHFFFAOYSA-N 1 1 373.413 -0.774 50 0 FBAAMO Cn1c(N)c(C(=O)C[N@H+](CCC(N)=O)Cc2ccccc2)c(=O)n(C)c1=O ZINC000057335999 205236810 /nfs/dbraw/zinc/23/68/10/205236810.db2.gz MINJVQFIMDLRPU-UHFFFAOYSA-N 1 1 373.413 -0.774 50 0 FBAAMO CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000058365340 484988470 /nfs/dbraw/zinc/98/84/70/484988470.db2.gz CEIBZWDQSYWKMZ-QLFBSQMISA-N 1 1 357.476 -0.239 50 0 FBAAMO CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000058365347 484988098 /nfs/dbraw/zinc/98/80/98/484988098.db2.gz CEIBZWDQSYWKMZ-RBSFLKMASA-N 1 1 357.476 -0.239 50 0 FBAAMO CNC(=O)NC(=O)CC[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000058644104 221121910 /nfs/dbraw/zinc/12/19/10/221121910.db2.gz GULBJKLPVOKSTJ-UHFFFAOYSA-N 1 1 353.467 -0.148 50 0 FBAAMO Cn1ncc(N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)cc1=O ZINC000065313715 484372334 /nfs/dbraw/zinc/37/23/34/484372334.db2.gz ZEUZZASMSPPHLB-HNNXBMFYSA-N 1 1 363.462 -0.165 50 0 FBAAMO Cn1ncc(N2CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2)cc1=O ZINC000065313716 484372658 /nfs/dbraw/zinc/37/26/58/484372658.db2.gz ZEUZZASMSPPHLB-OAHLLOKOSA-N 1 1 363.462 -0.165 50 0 FBAAMO CCS(=O)(=O)N1CCN(c2nc(N3CCC[C@H](O)C3)cc[nH+]2)CC1 ZINC000065371316 221204508 /nfs/dbraw/zinc/20/45/08/221204508.db2.gz ZPCGUSZESWIJGU-ZDUSSCGKSA-N 1 1 355.464 -0.091 50 0 FBAAMO CCS(=O)(=O)N1CCN(c2nc(N3CCC[C@@H](O)C3)cc[nH+]2)CC1 ZINC000065371317 221204364 /nfs/dbraw/zinc/20/43/64/221204364.db2.gz ZPCGUSZESWIJGU-CYBMUJFWSA-N 1 1 355.464 -0.091 50 0 FBAAMO COCCN(Cc1cnn(C)c1)C(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C ZINC000065372296 483703860 /nfs/dbraw/zinc/70/38/60/483703860.db2.gz WVMRMPNULSJFME-HNNXBMFYSA-N 1 1 351.451 -0.006 50 0 FBAAMO COCCN(Cc1cnn(C)c1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000065372296 483703857 /nfs/dbraw/zinc/70/38/57/483703857.db2.gz WVMRMPNULSJFME-HNNXBMFYSA-N 1 1 351.451 -0.006 50 0 FBAAMO COCCN(Cc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C(C)C ZINC000065372297 205341967 /nfs/dbraw/zinc/34/19/67/205341967.db2.gz WVMRMPNULSJFME-OAHLLOKOSA-N 1 1 351.451 -0.006 50 0 FBAAMO COCCN(Cc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000065372297 205341959 /nfs/dbraw/zinc/34/19/59/205341959.db2.gz WVMRMPNULSJFME-OAHLLOKOSA-N 1 1 351.451 -0.006 50 0 FBAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000065395213 839242152 /nfs/dbraw/zinc/24/21/52/839242152.db2.gz JYZPFGHRILLKCC-CZUORRHYSA-N 1 1 352.460 -0.856 50 0 FBAAMO CN1CC(=O)N2CCN(C(=O)C[N@@H+](C)Cc3ccc(F)cc3)C[C@@H]2C1=O ZINC000065403653 221214156 /nfs/dbraw/zinc/21/41/56/221214156.db2.gz RNZSLKOUNRENBB-OAHLLOKOSA-N 1 1 362.405 -0.231 50 0 FBAAMO CN1CC(=O)N2CCN(C(=O)C[N@H+](C)Cc3ccc(F)cc3)C[C@@H]2C1=O ZINC000065403653 221214154 /nfs/dbraw/zinc/21/41/54/221214154.db2.gz RNZSLKOUNRENBB-OAHLLOKOSA-N 1 1 362.405 -0.231 50 0 FBAAMO CN1CC(=O)N2CCN(C(=O)C[N@@H+](C)Cc3ccc(F)cc3)C[C@H]2C1=O ZINC000065403654 221213906 /nfs/dbraw/zinc/21/39/06/221213906.db2.gz RNZSLKOUNRENBB-HNNXBMFYSA-N 1 1 362.405 -0.231 50 0 FBAAMO CN1CC(=O)N2CCN(C(=O)C[N@H+](C)Cc3ccc(F)cc3)C[C@H]2C1=O ZINC000065403654 221213905 /nfs/dbraw/zinc/21/39/05/221213905.db2.gz RNZSLKOUNRENBB-HNNXBMFYSA-N 1 1 362.405 -0.231 50 0 FBAAMO CCc1cc(N2CCN(CC(=O)OC)C(=O)C2)nc(N2CCOCC2)[nH+]1 ZINC000065405564 221212939 /nfs/dbraw/zinc/21/29/39/221212939.db2.gz LXJUNGPVNSDGFL-UHFFFAOYSA-N 1 1 363.418 -0.303 50 0 FBAAMO CN1CC(=O)N2CCN(C(=O)C[N@H+]3CCc4ccccc4C3)C[C@@H]2C1=O ZINC000065406619 483703766 /nfs/dbraw/zinc/70/37/66/483703766.db2.gz RKSJOWXFYPGIMB-MRXNPFEDSA-N 1 1 356.426 -0.444 50 0 FBAAMO CN1CC(=O)N2CCN(C(=O)C[N@@H+]3CCc4ccccc4C3)C[C@@H]2C1=O ZINC000065406619 483703763 /nfs/dbraw/zinc/70/37/63/483703763.db2.gz RKSJOWXFYPGIMB-MRXNPFEDSA-N 1 1 356.426 -0.444 50 0 FBAAMO CN1CC(=O)N2CCN(C(=O)C[N@H+]3CCc4ccccc4C3)C[C@H]2C1=O ZINC000065406620 221215206 /nfs/dbraw/zinc/21/52/06/221215206.db2.gz RKSJOWXFYPGIMB-INIZCTEOSA-N 1 1 356.426 -0.444 50 0 FBAAMO CN1CC(=O)N2CCN(C(=O)C[N@@H+]3CCc4ccccc4C3)C[C@H]2C1=O ZINC000065406620 221215203 /nfs/dbraw/zinc/21/52/03/221215203.db2.gz RKSJOWXFYPGIMB-INIZCTEOSA-N 1 1 356.426 -0.444 50 0 FBAAMO CN1CCN(C(=O)c2ccnc(N3CCN4CC[N@@H+](C)C[C@@H]4C3)c2)CC1 ZINC000065417272 136136295 /nfs/dbraw/zinc/13/62/95/136136295.db2.gz ZRTRURGBNVTYTK-QGZVFWFLSA-N 1 1 358.490 -0.095 50 0 FBAAMO CS(=O)(=O)N1CCCN(c2nc(N3CCC[C@H](O)C3)cc[nH+]2)CC1 ZINC000065422178 136136357 /nfs/dbraw/zinc/13/63/57/136136357.db2.gz GODOCUYOSPATQZ-ZDUSSCGKSA-N 1 1 355.464 -0.091 50 0 FBAAMO O=C1CNC(=O)[C@@H]2C[N@@H+](Cc3cccc(CN4CCOCC4)c3)CCN12 ZINC000065430192 221219018 /nfs/dbraw/zinc/21/90/18/221219018.db2.gz LPLPHAOMJSEJOF-KRWDZBQOSA-N 1 1 358.442 -0.339 50 0 FBAAMO O=C1CNC(=O)[C@@H]2C[N@H+](Cc3cccc(CN4CCOCC4)c3)CCN12 ZINC000065430192 221219016 /nfs/dbraw/zinc/21/90/16/221219016.db2.gz LPLPHAOMJSEJOF-KRWDZBQOSA-N 1 1 358.442 -0.339 50 0 FBAAMO O=C1CNC(=O)[C@H]2C[N@@H+](Cc3cccc(CN4CCOCC4)c3)CCN12 ZINC000065430196 483704026 /nfs/dbraw/zinc/70/40/26/483704026.db2.gz LPLPHAOMJSEJOF-QGZVFWFLSA-N 1 1 358.442 -0.339 50 0 FBAAMO O=C1CNC(=O)[C@H]2C[N@H+](Cc3cccc(CN4CCOCC4)c3)CCN12 ZINC000065430196 483704024 /nfs/dbraw/zinc/70/40/24/483704024.db2.gz LPLPHAOMJSEJOF-QGZVFWFLSA-N 1 1 358.442 -0.339 50 0 FBAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000065452627 221220344 /nfs/dbraw/zinc/22/03/44/221220344.db2.gz DKOFNOYDFZTHSV-RDTXWAMCSA-N 1 1 351.495 -0.804 50 0 FBAAMO NC(=O)c1cccnc1N1CCN(c2nc(N3CC[C@H](O)C3)cc[nH+]2)CC1 ZINC000065491911 205354781 /nfs/dbraw/zinc/35/47/81/205354781.db2.gz PIPVSTLNFRFLSY-ZDUSSCGKSA-N 1 1 369.429 -0.132 50 0 FBAAMO NC(=O)c1cccnc1N1CCN(c2nc(N3CC[C@@H](O)C3)cc[nH+]2)CC1 ZINC000065491914 205355153 /nfs/dbraw/zinc/35/51/53/205355153.db2.gz PIPVSTLNFRFLSY-CYBMUJFWSA-N 1 1 369.429 -0.132 50 0 FBAAMO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CSc1nc(-c2ccco2)n[nH]1 ZINC000067459017 205372947 /nfs/dbraw/zinc/37/29/47/205372947.db2.gz MTHCSFJLNIETEG-BDAKNGLRSA-N 1 1 350.404 -0.169 50 0 FBAAMO Cc1nc(N2CCN(S(=O)(=O)N(C)C)CC2)cc(N2CCOCC2)[nH+]1 ZINC000067603570 205376581 /nfs/dbraw/zinc/37/65/81/205376581.db2.gz HCFWFIZALBIUNG-UHFFFAOYSA-N 1 1 370.479 -0.450 50 0 FBAAMO O=C1NCC[NH2+]C12CCN(S(=O)(=O)c1cccc3nonc31)CC2 ZINC000067649778 221265172 /nfs/dbraw/zinc/26/51/72/221265172.db2.gz VDKTWMYNAVIAGG-UHFFFAOYSA-N 1 1 351.388 -0.535 50 0 FBAAMO CN1CCN([C@H]2C[N@H+](C3CCN(C(=O)c4ccccn4)CC3)C[C@@H]2O)CC1 ZINC000067650171 483714830 /nfs/dbraw/zinc/71/48/30/483714830.db2.gz TXCLLJCXIPUEAR-OALUTQOASA-N 1 1 373.501 -0.021 50 0 FBAAMO COCCN1CCC[C@@](O)(C[N@H+]2CCc3c(c(CO)nn3C)C2)C1=O ZINC000067655040 483714707 /nfs/dbraw/zinc/71/47/07/483714707.db2.gz XPFKGWSCSVWINM-QGZVFWFLSA-N 1 1 352.435 -0.730 50 0 FBAAMO COCCN1CCC[C@](O)(C[N@H+]2CCc3c(c(CO)nn3C)C2)C1=O ZINC000067655041 483714651 /nfs/dbraw/zinc/71/46/51/483714651.db2.gz XPFKGWSCSVWINM-KRWDZBQOSA-N 1 1 352.435 -0.730 50 0 FBAAMO CN1CCN(C(=O)[C@@H]2CCCN(CC(N)=O)C2)CC12CC[NH+](C)CC2 ZINC000067674346 221268037 /nfs/dbraw/zinc/26/80/37/221268037.db2.gz ZIQACCOEVGAFAY-OAHLLOKOSA-N 1 1 351.495 -0.578 50 0 FBAAMO CN1CCN(C(=O)[C@H]2CCCN(CC(N)=O)C2)CC12CC[NH+](C)CC2 ZINC000067674347 221267451 /nfs/dbraw/zinc/26/74/51/221267451.db2.gz ZIQACCOEVGAFAY-HNNXBMFYSA-N 1 1 351.495 -0.578 50 0 FBAAMO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067714463 205386495 /nfs/dbraw/zinc/38/64/95/205386495.db2.gz WOJACJQJKLUFRZ-UHFFFAOYSA-N 1 1 361.855 -0.375 50 0 FBAAMO CCn1cc(S(=O)(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)cn1 ZINC000067714658 485063242 /nfs/dbraw/zinc/06/32/42/485063242.db2.gz SRYJSIFDXWENJG-UHFFFAOYSA-N 1 1 355.464 -0.122 50 0 FBAAMO CCn1cc(S(=O)(=O)N2CCC3(CC2)C(=O)NCCC[N@H+]3C)cn1 ZINC000067714658 485063238 /nfs/dbraw/zinc/06/32/38/485063238.db2.gz SRYJSIFDXWENJG-UHFFFAOYSA-N 1 1 355.464 -0.122 50 0 FBAAMO COC(=O)CNc1cccc(C(=O)N2CCC3(CC2)[NH2+]CCNC3=O)c1 ZINC000067723040 221277043 /nfs/dbraw/zinc/27/70/43/221277043.db2.gz CBHPDVOFTFAVIK-UHFFFAOYSA-N 1 1 360.414 -0.034 50 0 FBAAMO CCn1c(C2CCN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)n[nH]c1=O ZINC000067725971 205388048 /nfs/dbraw/zinc/38/80/48/205388048.db2.gz JOGPXVIZIRAARW-CYBMUJFWSA-N 1 1 364.450 -0.505 50 0 FBAAMO CCn1c(C2CCN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)n[nH]c1=O ZINC000067725974 221277692 /nfs/dbraw/zinc/27/76/92/221277692.db2.gz JOGPXVIZIRAARW-ZDUSSCGKSA-N 1 1 364.450 -0.505 50 0 FBAAMO CN(CCC(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000067804975 205391931 /nfs/dbraw/zinc/39/19/31/205391931.db2.gz CTNCEPUNLYLOTN-UHFFFAOYSA-N 1 1 360.524 -0.104 50 0 FBAAMO CN(CCC(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1)S(C)(=O)=O ZINC000067804975 205391927 /nfs/dbraw/zinc/39/19/27/205391927.db2.gz CTNCEPUNLYLOTN-UHFFFAOYSA-N 1 1 360.524 -0.104 50 0 FBAAMO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CSc1nc(-c2ccco2)n[nH]1 ZINC000067854962 483715579 /nfs/dbraw/zinc/71/55/79/483715579.db2.gz MTHCSFJLNIETEG-IUCAKERBSA-N 1 1 350.404 -0.169 50 0 FBAAMO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1nc(-c2ccncc2)n[nH]1 ZINC000067867090 483715325 /nfs/dbraw/zinc/71/53/25/483715325.db2.gz WVXQWRZREBEZOC-STQMWFEESA-N 1 1 357.418 -0.138 50 0 FBAAMO CN1CC[N@H+]2C[C@@H](NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C[C@H]2C1 ZINC000067895477 221303002 /nfs/dbraw/zinc/30/30/02/221303002.db2.gz JYYPADUHRSMYCN-RYUDHWBXSA-N 1 1 366.443 -0.316 50 0 FBAAMO CN1CC[N@@H+]2C[C@@H](NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C[C@H]2C1 ZINC000067895477 221303001 /nfs/dbraw/zinc/30/30/01/221303001.db2.gz JYYPADUHRSMYCN-RYUDHWBXSA-N 1 1 366.443 -0.316 50 0 FBAAMO C[N@H+]1CCN2C[C@@H](NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C[C@H]2C1 ZINC000067895477 221303000 /nfs/dbraw/zinc/30/30/00/221303000.db2.gz JYYPADUHRSMYCN-RYUDHWBXSA-N 1 1 366.443 -0.316 50 0 FBAAMO C[N@@H+]1CCN2C[C@@H](NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C[C@H]2C1 ZINC000067895477 221302999 /nfs/dbraw/zinc/30/29/99/221302999.db2.gz JYYPADUHRSMYCN-RYUDHWBXSA-N 1 1 366.443 -0.316 50 0 FBAAMO C[N@H+]1CCCN(c2ncccc2CNC(=O)Cc2cc(=O)[nH]c(N)n2)CC1 ZINC000067896522 221302053 /nfs/dbraw/zinc/30/20/53/221302053.db2.gz CDFBHGJNFRBXFO-UHFFFAOYSA-N 1 1 371.445 -0.252 50 0 FBAAMO O=C(C[NH2+]C[C@@]1(O)CCCN(CCc2ccccc2)C1=O)N1CCNCC1 ZINC000067908313 221303556 /nfs/dbraw/zinc/30/35/56/221303556.db2.gz ZHBHOOZWIPCVOL-FQEVSTJZSA-N 1 1 374.485 -0.396 50 0 FBAAMO O=C(C[NH2+]C[C@]1(O)CCCN(CCc2ccccc2)C1=O)N1CCNCC1 ZINC000067908315 483716517 /nfs/dbraw/zinc/71/65/17/483716517.db2.gz ZHBHOOZWIPCVOL-HXUWFJFHSA-N 1 1 374.485 -0.396 50 0 FBAAMO C[N@H+]1CCCN(c2ncccc2CNC(=O)CNS(C)(=O)=O)CC1 ZINC000067947499 483716026 /nfs/dbraw/zinc/71/60/26/483716026.db2.gz IRQSYOSMBJBEJA-UHFFFAOYSA-N 1 1 355.464 -0.611 50 0 FBAAMO Cc1cc(C)n2nc(CC(=O)N3CCC4(CC3)[NH2+]CCNC4=O)nc2n1 ZINC000067965003 221309030 /nfs/dbraw/zinc/30/90/30/221309030.db2.gz LPXLPKYGTFMEJU-UHFFFAOYSA-N 1 1 357.418 -0.636 50 0 FBAAMO CN1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)CO)CC3)C2)CC1 ZINC000067966676 221311026 /nfs/dbraw/zinc/31/10/26/221311026.db2.gz JNNSNLJDWIJRAD-OAHLLOKOSA-N 1 1 352.479 -0.544 50 0 FBAAMO CN1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)CO)CC3)C2)CC1 ZINC000067966677 483716386 /nfs/dbraw/zinc/71/63/86/483716386.db2.gz JNNSNLJDWIJRAD-HNNXBMFYSA-N 1 1 352.479 -0.544 50 0 FBAAMO CN(C)S(=O)(=O)N1CC[NH+](C[C@]2(O)CCCN(CC3CC3)C2=O)CC1 ZINC000067974751 842170053 /nfs/dbraw/zinc/17/00/53/842170053.db2.gz XBVBEKRZKDJDMG-MRXNPFEDSA-N 1 1 374.507 -0.826 50 0 FBAAMO CN(C)S(=O)(=O)N1CC[NH+](C[C@@]2(O)CCCN(CC3CC3)C2=O)CC1 ZINC000067974752 842170228 /nfs/dbraw/zinc/17/02/28/842170228.db2.gz XBVBEKRZKDJDMG-INIZCTEOSA-N 1 1 374.507 -0.826 50 0 FBAAMO CN1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)CCO)CC3)C2)CC1 ZINC000067975591 483715970 /nfs/dbraw/zinc/71/59/70/483715970.db2.gz PEUCKFBLUVUALB-MRXNPFEDSA-N 1 1 366.506 -0.154 50 0 FBAAMO CN1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)CCO)CC3)C2)CC1 ZINC000067975592 483716117 /nfs/dbraw/zinc/71/61/17/483716117.db2.gz PEUCKFBLUVUALB-INIZCTEOSA-N 1 1 366.506 -0.154 50 0 FBAAMO Cn1nnnc1SCC(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1 ZINC000067983145 483716307 /nfs/dbraw/zinc/71/63/07/483716307.db2.gz LBONSBOYXHEPTE-UHFFFAOYSA-N 1 1 353.496 -0.069 50 0 FBAAMO Cn1nnnc1SCC(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1 ZINC000067983145 483716305 /nfs/dbraw/zinc/71/63/05/483716305.db2.gz LBONSBOYXHEPTE-UHFFFAOYSA-N 1 1 353.496 -0.069 50 0 FBAAMO CC1(C)NC(=O)N(C[C@H](O)C[NH+]2CCN(Cc3cccnc3)CC2)C1=O ZINC000071282382 221338406 /nfs/dbraw/zinc/33/84/06/221338406.db2.gz LXPPVJAMZLYTLO-OAHLLOKOSA-N 1 1 361.446 -0.110 50 0 FBAAMO CC1(C)NC(=O)N(C[C@@H](O)C[NH+]2CCN(Cc3cccnc3)CC2)C1=O ZINC000071282383 221338545 /nfs/dbraw/zinc/33/85/45/221338545.db2.gz LXPPVJAMZLYTLO-HNNXBMFYSA-N 1 1 361.446 -0.110 50 0 FBAAMO CN(C)C(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000071297207 221341029 /nfs/dbraw/zinc/34/10/29/221341029.db2.gz CZDXOEJTMGJPIC-UHFFFAOYSA-N 1 1 361.446 -0.180 50 0 FBAAMO O=C(NC(CO)CO)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071736121 221357136 /nfs/dbraw/zinc/35/71/36/221357136.db2.gz JGXAVAMSBSTDTO-AWEZNQCLSA-N 1 1 353.463 -0.431 50 0 FBAAMO O=C(NC(CO)CO)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071736124 221357041 /nfs/dbraw/zinc/35/70/41/221357041.db2.gz JGXAVAMSBSTDTO-CQSZACIVSA-N 1 1 353.463 -0.431 50 0 FBAAMO Cn1c2ncn(CC[N@H+]3CCC[C@H](N4CCCC4=O)C3)c2c(=O)n(C)c1=O ZINC000071745777 483582576 /nfs/dbraw/zinc/58/25/76/483582576.db2.gz CBRMMBNIZSCRGM-ZDUSSCGKSA-N 1 1 374.445 -0.480 50 0 FBAAMO Cn1c2ncn(CC[N@H+]3CCC[C@@H](N4CCCC4=O)C3)c2c(=O)n(C)c1=O ZINC000071745778 221358072 /nfs/dbraw/zinc/35/80/72/221358072.db2.gz CBRMMBNIZSCRGM-CYBMUJFWSA-N 1 1 374.445 -0.480 50 0 FBAAMO CNC(=O)CN1CCC([N@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071747096 221359903 /nfs/dbraw/zinc/35/99/03/221359903.db2.gz LOSQPVHBANLHBV-INIZCTEOSA-N 1 1 365.522 -0.317 50 0 FBAAMO CNC(=O)CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071747097 483724567 /nfs/dbraw/zinc/72/45/67/483724567.db2.gz LOSQPVHBANLHBV-MRXNPFEDSA-N 1 1 365.522 -0.317 50 0 FBAAMO Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)c(C)n1-n1cnnc1 ZINC000071752676 483724626 /nfs/dbraw/zinc/72/46/26/483724626.db2.gz SAZZCFUHNBIJQW-ROUUACIJSA-N 1 1 359.478 -0.200 50 0 FBAAMO NC(=O)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071755042 483724822 /nfs/dbraw/zinc/72/48/22/483724822.db2.gz ATAHDEXNRQSECI-ZDUSSCGKSA-N 1 1 352.435 -0.967 50 0 FBAAMO NC(=O)C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071755043 221364990 /nfs/dbraw/zinc/36/49/90/221364990.db2.gz ATAHDEXNRQSECI-CYBMUJFWSA-N 1 1 352.435 -0.967 50 0 FBAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)c4cnccn4)CC3)ncn2)CC1 ZINC000072115726 483577697 /nfs/dbraw/zinc/57/76/97/483577697.db2.gz RUQVRNSDQMGIKZ-UHFFFAOYSA-N 1 1 368.445 -0.019 50 0 FBAAMO CCS(=O)(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)ncn2)CC1 ZINC000072119258 136141964 /nfs/dbraw/zinc/14/19/64/136141964.db2.gz RPLBCQQTRAIZHD-UHFFFAOYSA-N 1 1 354.480 -0.300 50 0 FBAAMO Nc1cc(=O)[nH]c(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C2CCCC2)n1 ZINC000072123839 483727048 /nfs/dbraw/zinc/72/70/48/483727048.db2.gz KCRQJLLQUFSPNC-GFCCVEGCSA-N 1 1 362.434 -0.444 50 0 FBAAMO Nc1cc(=O)[nH]c(CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)n1 ZINC000072123840 483727140 /nfs/dbraw/zinc/72/71/40/483727140.db2.gz KCRQJLLQUFSPNC-LBPRGKRZSA-N 1 1 362.434 -0.444 50 0 FBAAMO O=C(CCN1CCCC1=O)N1CC[NH2+]C[C@H]1C(=O)NCc1ccccn1 ZINC000072124025 483727226 /nfs/dbraw/zinc/72/72/26/483727226.db2.gz BYXGXSZZKXWZKU-HNNXBMFYSA-N 1 1 359.430 -0.489 50 0 FBAAMO O=C(CCN1CCCC1=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1ccccn1 ZINC000072124026 483727034 /nfs/dbraw/zinc/72/70/34/483727034.db2.gz BYXGXSZZKXWZKU-OAHLLOKOSA-N 1 1 359.430 -0.489 50 0 FBAAMO Cc1cc(=O)[nH]c(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)n1 ZINC000072127282 483726951 /nfs/dbraw/zinc/72/69/51/483726951.db2.gz LNTBGYIEWAJTDA-CYBMUJFWSA-N 1 1 363.462 -0.026 50 0 FBAAMO Cc1cc(=O)[nH]c(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2CC(C)(C)C)n1 ZINC000072127282 483726946 /nfs/dbraw/zinc/72/69/46/483726946.db2.gz LNTBGYIEWAJTDA-CYBMUJFWSA-N 1 1 363.462 -0.026 50 0 FBAAMO Cc1cc(=O)[nH]c(CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)n1 ZINC000072127283 483727331 /nfs/dbraw/zinc/72/73/31/483727331.db2.gz LNTBGYIEWAJTDA-ZDUSSCGKSA-N 1 1 363.462 -0.026 50 0 FBAAMO Cc1cc(=O)[nH]c(CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2CC(C)(C)C)n1 ZINC000072127283 483727328 /nfs/dbraw/zinc/72/73/28/483727328.db2.gz LNTBGYIEWAJTDA-ZDUSSCGKSA-N 1 1 363.462 -0.026 50 0 FBAAMO CN1CCN(C(=O)[C@@H]2C[NH2+]CCN2C(=O)c2ccc(Cl)cn2)CC1 ZINC000072129086 483727148 /nfs/dbraw/zinc/72/71/48/483727148.db2.gz CPIZTMGIIZLARL-AWEZNQCLSA-N 1 1 351.838 -0.077 50 0 FBAAMO CN1CCN(C(=O)[C@H]2C[NH2+]CCN2C(=O)c2ccc(Cl)cn2)CC1 ZINC000072129087 483727342 /nfs/dbraw/zinc/72/73/42/483727342.db2.gz CPIZTMGIIZLARL-CQSZACIVSA-N 1 1 351.838 -0.077 50 0 FBAAMO O=C(c1cccc2nccnc21)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072130693 571170947 /nfs/dbraw/zinc/17/09/47/571170947.db2.gz JJYVXYZQEVMHDS-OAHLLOKOSA-N 1 1 355.398 -0.097 50 0 FBAAMO O=C(c1cccc2nccnc21)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072130694 571171129 /nfs/dbraw/zinc/17/11/29/571171129.db2.gz JJYVXYZQEVMHDS-HNNXBMFYSA-N 1 1 355.398 -0.097 50 0 FBAAMO O=C(CCn1nnc2ccccc21)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072130752 221414371 /nfs/dbraw/zinc/41/43/71/221414371.db2.gz BBFKJWBUJQJJJU-MRXNPFEDSA-N 1 1 372.429 -0.519 50 0 FBAAMO O=C(CCn1nnc2ccccc21)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072130753 208805025 /nfs/dbraw/zinc/80/50/25/208805025.db2.gz BBFKJWBUJQJJJU-INIZCTEOSA-N 1 1 372.429 -0.519 50 0 FBAAMO O=C(c1ccc(-n2cnnc2)cc1)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072133102 571171465 /nfs/dbraw/zinc/17/14/65/571171465.db2.gz AGESATRBWBSGJH-MRXNPFEDSA-N 1 1 370.413 -0.460 50 0 FBAAMO O=C(c1ccc(-n2cnnc2)cc1)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072133103 571171407 /nfs/dbraw/zinc/17/14/07/571171407.db2.gz AGESATRBWBSGJH-INIZCTEOSA-N 1 1 370.413 -0.460 50 0 FBAAMO Cc1cc(C)n(CCCC(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCOCC2)n1 ZINC000072133816 571171302 /nfs/dbraw/zinc/17/13/02/571171302.db2.gz UCNRFGPZWXYUIM-MRXNPFEDSA-N 1 1 363.462 -0.061 50 0 FBAAMO Cc1cc(C)n(CCCC(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCOCC2)n1 ZINC000072133817 571171420 /nfs/dbraw/zinc/17/14/20/571171420.db2.gz UCNRFGPZWXYUIM-INIZCTEOSA-N 1 1 363.462 -0.061 50 0 FBAAMO O=C(CCn1ccccc1=O)N1CC[NH2+]C[C@H]1C(=O)NCc1ccccn1 ZINC000072137285 571171762 /nfs/dbraw/zinc/17/17/62/571171762.db2.gz AWIOTPUURRASMH-INIZCTEOSA-N 1 1 369.425 -0.250 50 0 FBAAMO O=C(CCn1ccccc1=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1ccccn1 ZINC000072137286 571171735 /nfs/dbraw/zinc/17/17/35/571171735.db2.gz AWIOTPUURRASMH-MRXNPFEDSA-N 1 1 369.425 -0.250 50 0 FBAAMO O=C(CN1CCc2ccccc2C1)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072141795 571171969 /nfs/dbraw/zinc/17/19/69/571171969.db2.gz LOJSGYVAWBDCPM-GOSISDBHSA-N 1 1 372.469 -0.296 50 0 FBAAMO O=C(CN1CCc2ccccc2C1)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072141796 483728107 /nfs/dbraw/zinc/72/81/07/483728107.db2.gz LOJSGYVAWBDCPM-SFHVURJKSA-N 1 1 372.469 -0.296 50 0 FBAAMO CC(CO)(CO)NC(=O)C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000072143723 483727991 /nfs/dbraw/zinc/72/79/91/483727991.db2.gz HEYMESXGIARZRA-MRXNPFEDSA-N 1 1 361.442 -0.796 50 0 FBAAMO CC(CO)(CO)NC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000072143723 483727989 /nfs/dbraw/zinc/72/79/89/483727989.db2.gz HEYMESXGIARZRA-MRXNPFEDSA-N 1 1 361.442 -0.796 50 0 FBAAMO CC(CO)(CO)NC(=O)C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000072143724 483728314 /nfs/dbraw/zinc/72/83/14/483728314.db2.gz HEYMESXGIARZRA-INIZCTEOSA-N 1 1 361.442 -0.796 50 0 FBAAMO CC(CO)(CO)NC(=O)C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000072143724 483728311 /nfs/dbraw/zinc/72/83/11/483728311.db2.gz HEYMESXGIARZRA-INIZCTEOSA-N 1 1 361.442 -0.796 50 0 FBAAMO Cc1nc2sccn2c1C(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072143882 483728324 /nfs/dbraw/zinc/72/83/24/483728324.db2.gz NGIABGUVAVGLKA-GFCCVEGCSA-N 1 1 363.443 -0.023 50 0 FBAAMO Cc1nc2sccn2c1C(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072143884 483727638 /nfs/dbraw/zinc/72/76/38/483727638.db2.gz NGIABGUVAVGLKA-LBPRGKRZSA-N 1 1 363.443 -0.023 50 0 FBAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)NCCOCCO ZINC000072144579 483727772 /nfs/dbraw/zinc/72/77/72/483727772.db2.gz KEZVZXIZJVNPQF-KRWDZBQOSA-N 1 1 361.442 -0.531 50 0 FBAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)NCCOCCO ZINC000072144579 483727768 /nfs/dbraw/zinc/72/77/68/483727768.db2.gz KEZVZXIZJVNPQF-KRWDZBQOSA-N 1 1 361.442 -0.531 50 0 FBAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)NCCOCCO ZINC000072144580 483728184 /nfs/dbraw/zinc/72/81/84/483728184.db2.gz KEZVZXIZJVNPQF-QGZVFWFLSA-N 1 1 361.442 -0.531 50 0 FBAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)NCCOCCO ZINC000072144580 483728178 /nfs/dbraw/zinc/72/81/78/483728178.db2.gz KEZVZXIZJVNPQF-QGZVFWFLSA-N 1 1 361.442 -0.531 50 0 FBAAMO CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)C[NH+]1CCC(O)CC1)C2 ZINC000072144700 483728251 /nfs/dbraw/zinc/72/82/51/483728251.db2.gz RZXSGHFVPJKNJC-UHFFFAOYSA-N 1 1 362.478 -0.050 50 0 FBAAMO Nc1n[nH]c(CCC(=O)N2CC[NH2+]C[C@H]2C(=O)Nc2ccc(F)cc2)n1 ZINC000072145738 483727692 /nfs/dbraw/zinc/72/76/92/483727692.db2.gz SUKUVHKCCNENMV-LBPRGKRZSA-N 1 1 361.381 -0.102 50 0 FBAAMO Nc1n[nH]c(CCC(=O)N2CC[NH2+]C[C@@H]2C(=O)Nc2ccc(F)cc2)n1 ZINC000072145739 483727938 /nfs/dbraw/zinc/72/79/38/483727938.db2.gz SUKUVHKCCNENMV-GFCCVEGCSA-N 1 1 361.381 -0.102 50 0 FBAAMO Cc1cccn2c(CC(=O)N3CC[NH2+]C[C@@H]3C(=O)N3CCOCC3)cnc12 ZINC000072147965 483727683 /nfs/dbraw/zinc/72/76/83/483727683.db2.gz BDHOBAXDOSWYJG-MRXNPFEDSA-N 1 1 371.441 -0.156 50 0 FBAAMO Cc1cccn2c(CC(=O)N3CC[NH2+]C[C@H]3C(=O)N3CCOCC3)cnc12 ZINC000072147966 483728083 /nfs/dbraw/zinc/72/80/83/483728083.db2.gz BDHOBAXDOSWYJG-INIZCTEOSA-N 1 1 371.441 -0.156 50 0 FBAAMO Cc1cc(C)n2ncc(C(=O)N3CC[NH2+]C[C@@H]3C(=O)N3CCOCC3)c2n1 ZINC000072148164 483727655 /nfs/dbraw/zinc/72/76/55/483727655.db2.gz KGLNLKLVGSMYGW-OAHLLOKOSA-N 1 1 372.429 -0.381 50 0 FBAAMO Cc1cc(C)n2ncc(C(=O)N3CC[NH2+]C[C@H]3C(=O)N3CCOCC3)c2n1 ZINC000072148165 483728406 /nfs/dbraw/zinc/72/84/06/483728406.db2.gz KGLNLKLVGSMYGW-HNNXBMFYSA-N 1 1 372.429 -0.381 50 0 FBAAMO Cn1c(=O)cc(C(=O)N2CCC([N@H+]3CCC[C@H](O)C3)CC2)n(C)c1=O ZINC000072150773 221429914 /nfs/dbraw/zinc/42/99/14/221429914.db2.gz VLMNXNSEKUFWKE-ZDUSSCGKSA-N 1 1 350.419 -0.855 50 0 FBAAMO Cn1c(=O)cc(C(=O)N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)n(C)c1=O ZINC000072150774 483728347 /nfs/dbraw/zinc/72/83/47/483728347.db2.gz VLMNXNSEKUFWKE-CYBMUJFWSA-N 1 1 350.419 -0.855 50 0 FBAAMO CN1CCN(C(=O)[C@@H]2C[NH2+]CCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000072151197 483727947 /nfs/dbraw/zinc/72/79/47/483727947.db2.gz QWYZOUZEPAWNMD-AWEZNQCLSA-N 1 1 360.414 -0.397 50 0 FBAAMO CN1CCN(C(=O)[C@H]2C[NH2+]CCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000072151198 483727814 /nfs/dbraw/zinc/72/78/14/483727814.db2.gz QWYZOUZEPAWNMD-CQSZACIVSA-N 1 1 360.414 -0.397 50 0 FBAAMO O=C(Cc1ccc2c(c1)NC(=O)CO2)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072152674 483728149 /nfs/dbraw/zinc/72/81/49/483728149.db2.gz LOJYRVDVJJWTKN-CQSZACIVSA-N 1 1 358.398 -0.361 50 0 FBAAMO O=C(Cc1ccc2c(c1)NC(=O)CO2)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072152675 483728029 /nfs/dbraw/zinc/72/80/29/483728029.db2.gz LOJYRVDVJJWTKN-AWEZNQCLSA-N 1 1 358.398 -0.361 50 0 FBAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)N(CCO)CCO ZINC000072153646 483727856 /nfs/dbraw/zinc/72/78/56/483727856.db2.gz DYBZCJWRWJUQLC-KRWDZBQOSA-N 1 1 361.442 -0.843 50 0 FBAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)N(CCO)CCO ZINC000072153646 483727850 /nfs/dbraw/zinc/72/78/50/483727850.db2.gz DYBZCJWRWJUQLC-KRWDZBQOSA-N 1 1 361.442 -0.843 50 0 FBAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)N(CCO)CCO ZINC000072153647 483728235 /nfs/dbraw/zinc/72/82/35/483728235.db2.gz DYBZCJWRWJUQLC-QGZVFWFLSA-N 1 1 361.442 -0.843 50 0 FBAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)N(CCO)CCO ZINC000072153647 483728234 /nfs/dbraw/zinc/72/82/34/483728234.db2.gz DYBZCJWRWJUQLC-QGZVFWFLSA-N 1 1 361.442 -0.843 50 0 FBAAMO CC(C)Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCOCC2)n(C)n1 ZINC000072153779 483727780 /nfs/dbraw/zinc/72/77/80/483727780.db2.gz VUNQRSNAMRYSQF-MRXNPFEDSA-N 1 1 363.462 -0.109 50 0 FBAAMO CC(C)Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCOCC2)n(C)n1 ZINC000072153780 483727488 /nfs/dbraw/zinc/72/74/88/483727488.db2.gz VUNQRSNAMRYSQF-INIZCTEOSA-N 1 1 363.462 -0.109 50 0 FBAAMO O=S(=O)(c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1)N1CCOCC1 ZINC000072154064 483727598 /nfs/dbraw/zinc/72/75/98/483727598.db2.gz WYPQHCLMZSMFFM-NVXWUHKLSA-N 1 1 370.471 -0.117 50 0 FBAAMO O=S(=O)(c1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1)N1CCOCC1 ZINC000072154064 483727595 /nfs/dbraw/zinc/72/75/95/483727595.db2.gz WYPQHCLMZSMFFM-NVXWUHKLSA-N 1 1 370.471 -0.117 50 0 FBAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000072158577 483727556 /nfs/dbraw/zinc/72/75/56/483727556.db2.gz FGWFRTDFVLVRCY-NSHDSACASA-N 1 1 364.450 -0.340 50 0 FBAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000072158577 483727552 /nfs/dbraw/zinc/72/75/52/483727552.db2.gz FGWFRTDFVLVRCY-NSHDSACASA-N 1 1 364.450 -0.340 50 0 FBAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000072158578 483728054 /nfs/dbraw/zinc/72/80/54/483728054.db2.gz FGWFRTDFVLVRCY-LLVKDONJSA-N 1 1 364.450 -0.340 50 0 FBAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000072158578 483728050 /nfs/dbraw/zinc/72/80/50/483728050.db2.gz FGWFRTDFVLVRCY-LLVKDONJSA-N 1 1 364.450 -0.340 50 0 FBAAMO C[NH+]1CCN([C@H]2CN(S(=O)(=O)NCc3ccccc3)C[C@@H]2O)CC1 ZINC000072158737 483728096 /nfs/dbraw/zinc/72/80/96/483728096.db2.gz GEONVVDLHIAQQI-HOTGVXAUSA-N 1 1 354.476 -0.687 50 0 FBAAMO CCc1c(C)nn(CC(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCOCC2)c1C ZINC000072158829 483727825 /nfs/dbraw/zinc/72/78/25/483727825.db2.gz RXQBEJPHQMZYRC-MRXNPFEDSA-N 1 1 363.462 -0.278 50 0 FBAAMO CCc1c(C)nn(CC(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCOCC2)c1C ZINC000072158831 483727804 /nfs/dbraw/zinc/72/78/04/483727804.db2.gz RXQBEJPHQMZYRC-INIZCTEOSA-N 1 1 363.462 -0.278 50 0 FBAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000072159136 483727606 /nfs/dbraw/zinc/72/76/06/483727606.db2.gz JMSFBYPTYIPXNJ-LBPRGKRZSA-N 1 1 364.450 -0.340 50 0 FBAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000072159137 483728010 /nfs/dbraw/zinc/72/80/10/483728010.db2.gz JMSFBYPTYIPXNJ-GFCCVEGCSA-N 1 1 364.450 -0.340 50 0 FBAAMO Cn1c(CCC(=O)N2CC[NH2+]C[C@@H]2C(=O)NC2CC2)nc2cccnc21 ZINC000072161943 483727721 /nfs/dbraw/zinc/72/77/21/483727721.db2.gz JXBFBFAXCXUGEV-CQSZACIVSA-N 1 1 356.430 -0.020 50 0 FBAAMO Cn1c(CCC(=O)N2CC[NH2+]C[C@H]2C(=O)NC2CC2)nc2cccnc21 ZINC000072161944 483727757 /nfs/dbraw/zinc/72/77/57/483727757.db2.gz JXBFBFAXCXUGEV-AWEZNQCLSA-N 1 1 356.430 -0.020 50 0 FBAAMO O=C(CCc1cc(Cl)no1)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072162944 483728985 /nfs/dbraw/zinc/72/89/85/483728985.db2.gz MNWGOCSVCBFDTP-GFCCVEGCSA-N 1 1 356.810 -0.080 50 0 FBAAMO O=C(CCc1cc(Cl)no1)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072162945 483729023 /nfs/dbraw/zinc/72/90/23/483729023.db2.gz MNWGOCSVCBFDTP-LBPRGKRZSA-N 1 1 356.810 -0.080 50 0 FBAAMO O=C(CCn1ccccc1=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1ccncc1 ZINC000072163305 483728733 /nfs/dbraw/zinc/72/87/33/483728733.db2.gz LSYICZMZYZTZRS-MRXNPFEDSA-N 1 1 369.425 -0.250 50 0 FBAAMO O=C(CCn1ccccc1=O)N1CC[NH2+]C[C@H]1C(=O)NCc1ccncc1 ZINC000072163306 483728697 /nfs/dbraw/zinc/72/86/97/483728697.db2.gz LSYICZMZYZTZRS-INIZCTEOSA-N 1 1 369.425 -0.250 50 0 FBAAMO Cc1cccc(=O)n1CCC(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072163542 483728664 /nfs/dbraw/zinc/72/86/64/483728664.db2.gz NCEXKEHNTACJGY-OAHLLOKOSA-N 1 1 362.430 -0.794 50 0 FBAAMO Cc1cccc(=O)n1CCC(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072163543 483728762 /nfs/dbraw/zinc/72/87/62/483728762.db2.gz NCEXKEHNTACJGY-HNNXBMFYSA-N 1 1 362.430 -0.794 50 0 FBAAMO Cn1cnc2cc(C(=O)N3CC[NH2+]C[C@@H]3C(=O)N3CCCC3)ccc2c1=O ZINC000072166327 483729069 /nfs/dbraw/zinc/72/90/69/483729069.db2.gz GULULORUUCTIJH-MRXNPFEDSA-N 1 1 369.425 -0.030 50 0 FBAAMO Cn1cnc2cc(C(=O)N3CC[NH2+]C[C@H]3C(=O)N3CCCC3)ccc2c1=O ZINC000072166328 483728859 /nfs/dbraw/zinc/72/88/59/483728859.db2.gz GULULORUUCTIJH-INIZCTEOSA-N 1 1 369.425 -0.030 50 0 FBAAMO CN(C)Cc1nc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCOCC2)cs1 ZINC000072167506 483729040 /nfs/dbraw/zinc/72/90/40/483729040.db2.gz BMELKWGKKZTPBI-CYBMUJFWSA-N 1 1 367.475 -0.523 50 0 FBAAMO CN(C)Cc1nc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCOCC2)cs1 ZINC000072167507 483728679 /nfs/dbraw/zinc/72/86/79/483728679.db2.gz BMELKWGKKZTPBI-ZDUSSCGKSA-N 1 1 367.475 -0.523 50 0 FBAAMO O=C([C@H]1C[NH2+]CCN1C(=O)c1ccc(Cn2cnnn2)cc1)N1CCCC1 ZINC000072167565 483728970 /nfs/dbraw/zinc/72/89/70/483728970.db2.gz FWXBWVSARONRMX-MRXNPFEDSA-N 1 1 369.429 -0.242 50 0 FBAAMO O=C([C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cn2cnnn2)cc1)N1CCCC1 ZINC000072167566 483729079 /nfs/dbraw/zinc/72/90/79/483729079.db2.gz FWXBWVSARONRMX-INIZCTEOSA-N 1 1 369.429 -0.242 50 0 FBAAMO O=C(c1cc2ccccc2[nH]c1=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072167572 483728959 /nfs/dbraw/zinc/72/89/59/483728959.db2.gz HEAOTDLRBSTBHN-MRXNPFEDSA-N 1 1 370.409 -0.199 50 0 FBAAMO O=C(c1cc2ccccc2[nH]c1=O)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072167573 205495970 /nfs/dbraw/zinc/49/59/70/205495970.db2.gz HEAOTDLRBSTBHN-INIZCTEOSA-N 1 1 370.409 -0.199 50 0 FBAAMO O=C(CCn1c(=O)[nH]c2ccccc21)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072168222 483728938 /nfs/dbraw/zinc/72/89/38/483728938.db2.gz IRRPSZYZCDCLIK-OAHLLOKOSA-N 1 1 357.414 -0.201 50 0 FBAAMO O=C(CCn1c(=O)[nH]c2ccccc21)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072168223 483728615 /nfs/dbraw/zinc/72/86/15/483728615.db2.gz IRRPSZYZCDCLIK-HNNXBMFYSA-N 1 1 357.414 -0.201 50 0 FBAAMO O=C(CCN1CCCC1=O)N1CC[NH2+]C[C@H]1C(=O)NCc1ccncc1 ZINC000072169272 483728909 /nfs/dbraw/zinc/72/89/09/483728909.db2.gz WNFRIIOCFIFSBY-HNNXBMFYSA-N 1 1 359.430 -0.489 50 0 FBAAMO O=C(CCN1CCCC1=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1ccncc1 ZINC000072169273 483729197 /nfs/dbraw/zinc/72/91/97/483729197.db2.gz WNFRIIOCFIFSBY-OAHLLOKOSA-N 1 1 359.430 -0.489 50 0 FBAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@](O)(CNS(C)(=O)=O)CC1 ZINC000072171450 483729169 /nfs/dbraw/zinc/72/91/69/483729169.db2.gz ZXDXHRYYBQPOIZ-OAHLLOKOSA-N 1 1 358.464 -0.262 50 0 FBAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@](O)(CNS(C)(=O)=O)CC1 ZINC000072171451 483729210 /nfs/dbraw/zinc/72/92/10/483729210.db2.gz ZXDXHRYYBQPOIZ-HNNXBMFYSA-N 1 1 358.464 -0.262 50 0 FBAAMO CN1CCN(C(=O)[C@@H]2C[NH2+]CCN2C(=O)COCc2ccccc2)CC1 ZINC000072173831 483728896 /nfs/dbraw/zinc/72/88/96/483728896.db2.gz FVMOFIKEPOSVPO-KRWDZBQOSA-N 1 1 360.458 -0.222 50 0 FBAAMO CN1CCN(C(=O)[C@H]2C[NH2+]CCN2C(=O)COCc2ccccc2)CC1 ZINC000072173832 483728927 /nfs/dbraw/zinc/72/89/27/483728927.db2.gz FVMOFIKEPOSVPO-QGZVFWFLSA-N 1 1 360.458 -0.222 50 0 FBAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H]([N@H+](C)CCN(C)C)C1 ZINC000072174093 483728636 /nfs/dbraw/zinc/72/86/36/483728636.db2.gz MRDBDGGUFDXBHH-ZDUSSCGKSA-N 1 1 351.451 -0.601 50 0 FBAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H]([N@@H+](C)CCN(C)C)C1 ZINC000072174093 483728633 /nfs/dbraw/zinc/72/86/33/483728633.db2.gz MRDBDGGUFDXBHH-ZDUSSCGKSA-N 1 1 351.451 -0.601 50 0 FBAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H]([N@H+](C)CCN(C)C)C1 ZINC000072174094 483728672 /nfs/dbraw/zinc/72/86/72/483728672.db2.gz MRDBDGGUFDXBHH-CYBMUJFWSA-N 1 1 351.451 -0.601 50 0 FBAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H]([N@@H+](C)CCN(C)C)C1 ZINC000072174094 483728669 /nfs/dbraw/zinc/72/86/69/483728669.db2.gz MRDBDGGUFDXBHH-CYBMUJFWSA-N 1 1 351.451 -0.601 50 0 FBAAMO C[C@@H](CNC(=O)c1[nH]c(=O)[nH]c(=O)c1N)[NH+]1CCN(c2ccccc2)CC1 ZINC000072301475 136144108 /nfs/dbraw/zinc/14/41/08/136144108.db2.gz QCJOTZUABIFSOJ-LBPRGKRZSA-N 1 1 372.429 -0.414 50 0 FBAAMO C[C@H](CNC(=O)c1[nH]c(=O)[nH]c(=O)c1N)[NH+]1CCN(c2ccccc2)CC1 ZINC000072301476 136144055 /nfs/dbraw/zinc/14/40/55/136144055.db2.gz QCJOTZUABIFSOJ-GFCCVEGCSA-N 1 1 372.429 -0.414 50 0 FBAAMO Cn1c(=O)[nH]cc(CC(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)c1=O ZINC000072407552 571191014 /nfs/dbraw/zinc/19/10/14/571191014.db2.gz VZILKXYVGHKIBY-UHFFFAOYSA-N 1 1 357.414 -0.254 50 0 FBAAMO Cn1c(=O)[nH]cc(CC(=O)N2CCC[N@H+](Cc3cccnc3)CC2)c1=O ZINC000072407552 571191010 /nfs/dbraw/zinc/19/10/10/571191010.db2.gz VZILKXYVGHKIBY-UHFFFAOYSA-N 1 1 357.414 -0.254 50 0 FBAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC000072408276 571191433 /nfs/dbraw/zinc/19/14/33/571191433.db2.gz DXYIVFMKCIOTKM-OAHLLOKOSA-N 1 1 367.494 -0.040 50 0 FBAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC000072408277 571191453 /nfs/dbraw/zinc/19/14/53/571191453.db2.gz DXYIVFMKCIOTKM-HNNXBMFYSA-N 1 1 367.494 -0.040 50 0 FBAAMO O=C([C@@H]1[NH2+]CCc2nc[nH]c21)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000072409676 136145304 /nfs/dbraw/zinc/14/53/04/136145304.db2.gz SUOSPYRABBJMEL-GFCCVEGCSA-N 1 1 353.390 -0.388 50 0 FBAAMO O=C([C@H]1[NH2+]CCc2nc[nH]c21)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000072409677 136145244 /nfs/dbraw/zinc/14/52/44/136145244.db2.gz SUOSPYRABBJMEL-LBPRGKRZSA-N 1 1 353.390 -0.388 50 0 FBAAMO CNC(=O)C[N@H+]1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072411155 571191945 /nfs/dbraw/zinc/19/19/45/571191945.db2.gz CWQKLCSTLHYJSU-ZDUSSCGKSA-N 1 1 350.467 -0.303 50 0 FBAAMO CNC(=O)C[N@@H+]1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072411155 571191944 /nfs/dbraw/zinc/19/19/44/571191944.db2.gz CWQKLCSTLHYJSU-ZDUSSCGKSA-N 1 1 350.467 -0.303 50 0 FBAAMO CNC(=O)C[N@H+]1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072411157 571192017 /nfs/dbraw/zinc/19/20/17/571192017.db2.gz CWQKLCSTLHYJSU-CYBMUJFWSA-N 1 1 350.467 -0.303 50 0 FBAAMO CNC(=O)C[N@@H+]1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072411157 571192015 /nfs/dbraw/zinc/19/20/15/571192015.db2.gz CWQKLCSTLHYJSU-CYBMUJFWSA-N 1 1 350.467 -0.303 50 0 FBAAMO Nc1cc[nH+]c(N2CCn3nc(CN4CCS(=O)(=O)CC4)cc3C2)n1 ZINC000072411888 136145567 /nfs/dbraw/zinc/14/55/67/136145567.db2.gz ASHHGPJHALONTJ-UHFFFAOYSA-N 1 1 363.447 -0.494 50 0 FBAAMO CN(CC(=O)N1CCn2nc(C[NH+](C)C)cc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000072428818 571195153 /nfs/dbraw/zinc/19/51/53/571195153.db2.gz XOMHNMQXCIUGHE-CQSZACIVSA-N 1 1 369.491 -0.594 50 0 FBAAMO CN(CC(=O)N1CCn2nc(C[NH+](C)C)cc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000072428819 571195120 /nfs/dbraw/zinc/19/51/20/571195120.db2.gz XOMHNMQXCIUGHE-AWEZNQCLSA-N 1 1 369.491 -0.594 50 0 FBAAMO Cc1cc(C)n(CCCC(=O)N2C[C@H](O)[C@@H]([N@H+]3CCNC(=O)CC3)C2)n1 ZINC000072433745 571196314 /nfs/dbraw/zinc/19/63/14/571196314.db2.gz FBIDWCYNFPVVHO-HOTGVXAUSA-N 1 1 363.462 -0.326 50 0 FBAAMO Cc1cc(C)n(CCCC(=O)N2C[C@H](O)[C@@H]([N@@H+]3CCNC(=O)CC3)C2)n1 ZINC000072433745 571196313 /nfs/dbraw/zinc/19/63/13/571196313.db2.gz FBIDWCYNFPVVHO-HOTGVXAUSA-N 1 1 363.462 -0.326 50 0 FBAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](C(CO)CO)C1 ZINC000072435318 571196299 /nfs/dbraw/zinc/19/62/99/571196299.db2.gz PQHGOOAKMSSGLG-CYBMUJFWSA-N 1 1 353.467 -0.696 50 0 FBAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](C(CO)CO)C1 ZINC000072435321 571196341 /nfs/dbraw/zinc/19/63/41/571196341.db2.gz PQHGOOAKMSSGLG-ZDUSSCGKSA-N 1 1 353.467 -0.696 50 0 FBAAMO COc1ccc(S(=O)(=O)N2CCN([C@H]3C[N@@H+](C)C[C@@H]3O)CC2)cc1 ZINC000072436031 483730482 /nfs/dbraw/zinc/73/04/82/483730482.db2.gz JQYQXBGHQODWAA-HOTGVXAUSA-N 1 1 355.460 -0.324 50 0 FBAAMO Cc1cc(N2CCN(C(=O)CCc3cc4n(n3)CCNC4)CC2)nc(N)[nH+]1 ZINC000072436539 136147377 /nfs/dbraw/zinc/14/73/77/136147377.db2.gz MFCORKSAZYUICZ-UHFFFAOYSA-N 1 1 370.461 -0.052 50 0 FBAAMO CCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCN(C)CC2)C1 ZINC000072437872 483730288 /nfs/dbraw/zinc/73/02/88/483730288.db2.gz XXTBTTBMBFTURM-HNNXBMFYSA-N 1 1 360.524 -0.198 50 0 FBAAMO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCN(C)CC2)C1 ZINC000072437873 483730080 /nfs/dbraw/zinc/73/00/80/483730080.db2.gz XXTBTTBMBFTURM-OAHLLOKOSA-N 1 1 360.524 -0.198 50 0 FBAAMO CN1CCC([N@H+]2CCN(c3cc(NCCO)ncn3)C[C@@H]2CCO)CC1 ZINC000072438337 536340054 /nfs/dbraw/zinc/34/00/54/536340054.db2.gz LHBVTLBFHHHDRS-INIZCTEOSA-N 1 1 364.494 -0.152 50 0 FBAAMO CN1CCC([N@@H+]2CCN(c3cc(NCCO)ncn3)C[C@@H]2CCO)CC1 ZINC000072438337 536340053 /nfs/dbraw/zinc/34/00/53/536340053.db2.gz LHBVTLBFHHHDRS-INIZCTEOSA-N 1 1 364.494 -0.152 50 0 FBAAMO Cc1cn(CC(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)c(=O)[nH]c1=O ZINC000072439902 483730382 /nfs/dbraw/zinc/73/03/82/483730382.db2.gz YSPQYSGVGBXECB-UHFFFAOYSA-N 1 1 357.414 -0.025 50 0 FBAAMO Cc1cn(CC(=O)N2CCC[N@H+](Cc3cccnc3)CC2)c(=O)[nH]c1=O ZINC000072439902 483730378 /nfs/dbraw/zinc/73/03/78/483730378.db2.gz YSPQYSGVGBXECB-UHFFFAOYSA-N 1 1 357.414 -0.025 50 0 FBAAMO CN(C)S(=O)(=O)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072446816 136148005 /nfs/dbraw/zinc/14/80/05/136148005.db2.gz JSAPSVXLNAPKPY-UHFFFAOYSA-N 1 1 356.452 -0.758 50 0 FBAAMO CN(C)S(=O)(=O)N1CCc2[nH+]c(N)nc(N[C@@H]3CCOC3)c2CC1 ZINC000072453627 483730577 /nfs/dbraw/zinc/73/05/77/483730577.db2.gz QRIQVFTULBZNGW-SNVBAGLBSA-N 1 1 356.452 -0.533 50 0 FBAAMO CN(C)S(=O)(=O)N1CCc2[nH+]c(N)nc(N[C@H]3CCOC3)c2CC1 ZINC000072453628 483730048 /nfs/dbraw/zinc/73/00/48/483730048.db2.gz QRIQVFTULBZNGW-JTQLQIEISA-N 1 1 356.452 -0.533 50 0 FBAAMO Cn1c2c(nc1N1CCCn3nc(C[NH+](C)C)cc3C1)n(C)c(=O)[nH]c2=O ZINC000072454539 483730566 /nfs/dbraw/zinc/73/05/66/483730566.db2.gz ZQSKUPVMYYDAKW-UHFFFAOYSA-N 1 1 372.433 -0.371 50 0 FBAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC000072472948 483730115 /nfs/dbraw/zinc/73/01/15/483730115.db2.gz LCOSNJWJJACFKC-OAHLLOKOSA-N 1 1 353.467 -0.164 50 0 FBAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC000072472949 483730612 /nfs/dbraw/zinc/73/06/12/483730612.db2.gz LCOSNJWJJACFKC-HNNXBMFYSA-N 1 1 353.467 -0.164 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCOC[C@@H]1CC(N)=O ZINC000072475978 136149174 /nfs/dbraw/zinc/14/91/74/136149174.db2.gz STNJCNUNPIYKPN-ZDUSSCGKSA-N 1 1 362.434 -0.747 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCOC[C@H]1CC(N)=O ZINC000072475979 136149099 /nfs/dbraw/zinc/14/90/99/136149099.db2.gz STNJCNUNPIYKPN-CYBMUJFWSA-N 1 1 362.434 -0.747 50 0 FBAAMO CN1C[C@@H]2CC[C@H](CC1=O)[N@H+]2Cc1cc2n(n1)CCN(S(C)(=O)=O)C2 ZINC000072476369 842277582 /nfs/dbraw/zinc/27/75/82/842277582.db2.gz GXQJKFBCCPOZHD-KGLIPLIRSA-N 1 1 367.475 -0.147 50 0 FBAAMO CN1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2Cc1cc2n(n1)CCN(S(C)(=O)=O)C2 ZINC000072476369 842277574 /nfs/dbraw/zinc/27/75/74/842277574.db2.gz GXQJKFBCCPOZHD-KGLIPLIRSA-N 1 1 367.475 -0.147 50 0 FBAAMO Nc1nc(N2CC[C@H]3[N@@H+](CCOCCO)CCC[C@]3(C(=O)[O-])C2)cc[nH+]1 ZINC000072477303 136149257 /nfs/dbraw/zinc/14/92/57/136149257.db2.gz ORHUYHRSUGAEDQ-DYVFJYSZSA-N 1 1 365.434 -0.187 50 0 FBAAMO Nc1nc(N2CC[C@H]3[N@H+](CCOCCO)CCC[C@]3(C(=O)[O-])C2)cc[nH+]1 ZINC000072477303 136149256 /nfs/dbraw/zinc/14/92/56/136149256.db2.gz ORHUYHRSUGAEDQ-DYVFJYSZSA-N 1 1 365.434 -0.187 50 0 FBAAMO O=C(CN1C(=O)CNC1=O)N1CC[N@@H+](Cc2cccs2)[C@@H](CCO)C1 ZINC000072479106 483730931 /nfs/dbraw/zinc/73/09/31/483730931.db2.gz SYTHVVXSHXOQLZ-LBPRGKRZSA-N 1 1 366.443 -0.305 50 0 FBAAMO O=C(CN1C(=O)CNC1=O)N1CC[N@H+](Cc2cccs2)[C@@H](CCO)C1 ZINC000072479106 483730929 /nfs/dbraw/zinc/73/09/29/483730929.db2.gz SYTHVVXSHXOQLZ-LBPRGKRZSA-N 1 1 366.443 -0.305 50 0 FBAAMO O=C(CN1C(=O)CNC1=O)N1CC[N@@H+](Cc2cccs2)[C@H](CCO)C1 ZINC000072479107 483730843 /nfs/dbraw/zinc/73/08/43/483730843.db2.gz SYTHVVXSHXOQLZ-GFCCVEGCSA-N 1 1 366.443 -0.305 50 0 FBAAMO O=C(CN1C(=O)CNC1=O)N1CC[N@H+](Cc2cccs2)[C@H](CCO)C1 ZINC000072479107 483730839 /nfs/dbraw/zinc/73/08/39/483730839.db2.gz SYTHVVXSHXOQLZ-GFCCVEGCSA-N 1 1 366.443 -0.305 50 0 FBAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCC(N)=O)C1 ZINC000072479204 483730947 /nfs/dbraw/zinc/73/09/47/483730947.db2.gz XPRIOHIYDWJOQO-CYBMUJFWSA-N 1 1 350.467 -0.173 50 0 FBAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CCC(N)=O)C1 ZINC000072479205 483730936 /nfs/dbraw/zinc/73/09/36/483730936.db2.gz XPRIOHIYDWJOQO-ZDUSSCGKSA-N 1 1 350.467 -0.173 50 0 FBAAMO C[NH+](C)CCN1C[C@H](C(=O)N2CCC(CN3CCOCC3)CC2)CC1=O ZINC000074221545 484472980 /nfs/dbraw/zinc/47/29/80/484472980.db2.gz QPEIQLVENYRKEU-QGZVFWFLSA-N 1 1 366.506 -0.033 50 0 FBAAMO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(CN3CCOCC3)CC2)CC1=O ZINC000074221548 484473224 /nfs/dbraw/zinc/47/32/24/484473224.db2.gz QPEIQLVENYRKEU-KRWDZBQOSA-N 1 1 366.506 -0.033 50 0 FBAAMO Cn1ncc(N2CCC(CNC(=O)[C@@H]([NH3+])Cc3c[nH]cn3)CC2)cc1=O ZINC000077287728 132179805 /nfs/dbraw/zinc/17/98/05/132179805.db2.gz AUWMXWRWXCGBIE-HNNXBMFYSA-N 1 1 359.434 -0.594 50 0 FBAAMO CN(CC1(CO)CC1)c1nc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077287729 132179689 /nfs/dbraw/zinc/17/96/89/132179689.db2.gz STEPZSDLMKOWCP-QWHCGFSZSA-N 1 1 367.475 -0.740 50 0 FBAAMO CNC(=O)C[NH+]1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 ZINC000077298066 483743971 /nfs/dbraw/zinc/74/39/71/483743971.db2.gz QIIMWKXHBPWAPK-UHFFFAOYSA-N 1 1 350.467 -0.303 50 0 FBAAMO CN(C)C(=O)C[NH+]1CCC(c2nnc(CN3CCOCC3)n2C)CC1 ZINC000077300473 483744258 /nfs/dbraw/zinc/74/42/58/483744258.db2.gz IIPNIEWVENVGCF-UHFFFAOYSA-N 1 1 350.467 -0.085 50 0 FBAAMO O=S1(=O)C[C@@H]2NCCN(c3cc[nH+]c(N4CCC(CO)CC4)n3)[C@@H]2C1 ZINC000077341061 132181046 /nfs/dbraw/zinc/18/10/46/132181046.db2.gz DKTYALOVLNACEH-UONOGXRCSA-N 1 1 367.475 -0.740 50 0 FBAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000077342199 132182200 /nfs/dbraw/zinc/18/22/00/132182200.db2.gz BLKLYGRYAXHOMW-OAHLLOKOSA-N 1 1 374.489 -0.166 50 0 FBAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000077342199 132182196 /nfs/dbraw/zinc/18/21/96/132182196.db2.gz BLKLYGRYAXHOMW-OAHLLOKOSA-N 1 1 374.489 -0.166 50 0 FBAAMO CN1CC[N@@H+](C)[C@H](CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)C1 ZINC000077342199 132182191 /nfs/dbraw/zinc/18/21/91/132182191.db2.gz BLKLYGRYAXHOMW-OAHLLOKOSA-N 1 1 374.489 -0.166 50 0 FBAAMO O=S1(=O)C[C@@H]2NCCN(c3cc[nH+]c(N4CCC(O)CC4)n3)[C@@H]2C1 ZINC000077344162 132181843 /nfs/dbraw/zinc/18/18/43/132181843.db2.gz UFYPWMKPTYHNMY-QWHCGFSZSA-N 1 1 353.448 -0.987 50 0 FBAAMO Cn1ncc(N2CCC(CNC(=O)C[N@H+]3CCC[C@H](O)C3)CC2)cc1=O ZINC000077353915 132181759 /nfs/dbraw/zinc/18/17/59/132181759.db2.gz XIKHYWGEGWKVQN-INIZCTEOSA-N 1 1 363.462 -0.430 50 0 FBAAMO Cn1ncc(N2CCC(CNC(=O)C[N@@H+]3CCC[C@H](O)C3)CC2)cc1=O ZINC000077353915 132181757 /nfs/dbraw/zinc/18/17/57/132181757.db2.gz XIKHYWGEGWKVQN-INIZCTEOSA-N 1 1 363.462 -0.430 50 0 FBAAMO Cn1ncc(N2CCC(CNC(=O)C[N@H+]3CCC[C@@H](O)C3)CC2)cc1=O ZINC000077353918 132182070 /nfs/dbraw/zinc/18/20/70/132182070.db2.gz XIKHYWGEGWKVQN-MRXNPFEDSA-N 1 1 363.462 -0.430 50 0 FBAAMO Cn1ncc(N2CCC(CNC(=O)C[N@@H+]3CCC[C@@H](O)C3)CC2)cc1=O ZINC000077353918 132182068 /nfs/dbraw/zinc/18/20/68/132182068.db2.gz XIKHYWGEGWKVQN-MRXNPFEDSA-N 1 1 363.462 -0.430 50 0 FBAAMO CN(Cc1ccon1)c1nc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077355173 132181677 /nfs/dbraw/zinc/18/16/77/132181677.db2.gz XUZMWAXCCNNVRJ-QWHCGFSZSA-N 1 1 364.431 -0.324 50 0 FBAAMO Cn1ncc(N2CC[C@H](CNC(=O)CN3CCC[N@@H+](C)CC3)C2)cc1=O ZINC000077355805 483744515 /nfs/dbraw/zinc/74/45/15/483744515.db2.gz AMNZLXJNIJUSSO-OAHLLOKOSA-N 1 1 362.478 -0.640 50 0 FBAAMO Cn1ncc(N2CC[C@@H](CNC(=O)CN3CCC[N@@H+](C)CC3)C2)cc1=O ZINC000077355808 483744681 /nfs/dbraw/zinc/74/46/81/483744681.db2.gz AMNZLXJNIJUSSO-HNNXBMFYSA-N 1 1 362.478 -0.640 50 0 FBAAMO CN(Cc1cc[nH]n1)c1nc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077357608 132181785 /nfs/dbraw/zinc/18/17/85/132181785.db2.gz RFAZQCPIEBXOMO-QWHCGFSZSA-N 1 1 363.447 -0.589 50 0 FBAAMO O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCC(c2nc[nH]n2)CC1 ZINC000077378486 483744717 /nfs/dbraw/zinc/74/47/17/483744717.db2.gz SJBILAOKAAOJFM-UHFFFAOYSA-N 1 1 359.438 -0.679 50 0 FBAAMO c1ncn(CC[NH+]2CCN(Cc3cnc(N4CCOCC4)nc3)CC2)n1 ZINC000077386916 132183124 /nfs/dbraw/zinc/18/31/24/132183124.db2.gz XLAFXBMDKOUHQO-UHFFFAOYSA-N 1 1 358.450 -0.278 50 0 FBAAMO C[C@@H]1CN(c2nc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)C[C@H](C)O1 ZINC000077391780 132183243 /nfs/dbraw/zinc/18/32/43/132183243.db2.gz CWFZZNIFRFXUSR-RFQIPJPRSA-N 1 1 367.475 -0.335 50 0 FBAAMO O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000077436494 483746468 /nfs/dbraw/zinc/74/64/68/483746468.db2.gz XTWZTEFVRSUCJU-CQSZACIVSA-N 1 1 350.419 -0.360 50 0 FBAAMO O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000077436495 483746156 /nfs/dbraw/zinc/74/61/56/483746156.db2.gz XTWZTEFVRSUCJU-AWEZNQCLSA-N 1 1 350.419 -0.360 50 0 FBAAMO O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000077437131 483746114 /nfs/dbraw/zinc/74/61/14/483746114.db2.gz GJXLIFGGNXLVEC-CQSZACIVSA-N 1 1 350.419 -0.360 50 0 FBAAMO O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000077437133 483746313 /nfs/dbraw/zinc/74/63/13/483746313.db2.gz GJXLIFGGNXLVEC-AWEZNQCLSA-N 1 1 350.419 -0.360 50 0 FBAAMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC000077437319 483746386 /nfs/dbraw/zinc/74/63/86/483746386.db2.gz PNVLPNQVPGPMOY-UKRRQHHQSA-N 1 1 370.475 -0.472 50 0 FBAAMO COC1CCN(c2nc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)CC1 ZINC000077438290 132185455 /nfs/dbraw/zinc/18/54/55/132185455.db2.gz TXNMAVVEVCUREH-UONOGXRCSA-N 1 1 367.475 -0.333 50 0 FBAAMO CN(CC(C)(C)CO)c1nc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077439911 132185624 /nfs/dbraw/zinc/18/56/24/132185624.db2.gz HOWPBVXKPJXDKV-QWHCGFSZSA-N 1 1 369.491 -0.494 50 0 FBAAMO CN(Cc1ncc[nH]1)c1nc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077440569 132185577 /nfs/dbraw/zinc/18/55/77/132185577.db2.gz RDINVMVICAAVGG-NWDGAFQWSA-N 1 1 363.447 -0.589 50 0 FBAAMO C[N@H+]1CCCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)CC1 ZINC000077452268 536361001 /nfs/dbraw/zinc/36/10/01/536361001.db2.gz ZBGXVRSIAZYCJY-UONOGXRCSA-N 1 1 366.491 -0.806 50 0 FBAAMO CSc1nc(N)cc(N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)[nH+]1 ZINC000077457650 132186041 /nfs/dbraw/zinc/18/60/41/132186041.db2.gz LSZCDEGKJNVVFO-MWLCHTKSSA-N 1 1 361.431 -0.060 50 0 FBAAMO CSc1nc(N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)cc(N)[nH+]1 ZINC000077457650 132186038 /nfs/dbraw/zinc/18/60/38/132186038.db2.gz LSZCDEGKJNVVFO-MWLCHTKSSA-N 1 1 361.431 -0.060 50 0 FBAAMO CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CC[NH+](CC)CC2)[C@H]3C1=O ZINC000077459133 483746015 /nfs/dbraw/zinc/74/60/15/483746015.db2.gz WJZBUYBZHKUVHM-RCJHGTSTSA-N 1 1 363.458 -0.031 50 0 FBAAMO CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CC[NH+](CC)CC2)[C@H]3C1=O ZINC000077459137 483746393 /nfs/dbraw/zinc/74/63/93/483746393.db2.gz WJZBUYBZHKUVHM-FPXQBCRKSA-N 1 1 363.458 -0.031 50 0 FBAAMO CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CC[NH+](CC)CC2)[C@@H]3C1=O ZINC000077459140 483745998 /nfs/dbraw/zinc/74/59/98/483745998.db2.gz WJZBUYBZHKUVHM-MKSNKDDYSA-N 1 1 363.458 -0.031 50 0 FBAAMO CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CC[NH+](CC)CC2)[C@@H]3C1=O ZINC000077459144 483746304 /nfs/dbraw/zinc/74/63/04/483746304.db2.gz WJZBUYBZHKUVHM-GGXPGOJBSA-N 1 1 363.458 -0.031 50 0 FBAAMO CC1(C)CN(c2nc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)CCO1 ZINC000077470352 132185912 /nfs/dbraw/zinc/18/59/12/132185912.db2.gz QWXAESSQDDSRHC-QWHCGFSZSA-N 1 1 367.475 -0.333 50 0 FBAAMO CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H]3C1=O ZINC000077470576 483746136 /nfs/dbraw/zinc/74/61/36/483746136.db2.gz OADASXVPEQWHKU-GGXPGOJBSA-N 1 1 363.458 -0.031 50 0 FBAAMO CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H]3C1=O ZINC000077470577 483746541 /nfs/dbraw/zinc/74/65/41/483746541.db2.gz OADASXVPEQWHKU-MKSNKDDYSA-N 1 1 363.458 -0.031 50 0 FBAAMO CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC[N@@H+](C)CC2)[C@H]3C1=O ZINC000077470578 483746358 /nfs/dbraw/zinc/74/63/58/483746358.db2.gz OADASXVPEQWHKU-FPXQBCRKSA-N 1 1 363.458 -0.031 50 0 FBAAMO CCOCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@H]3C1=O ZINC000077470579 483746105 /nfs/dbraw/zinc/74/61/05/483746105.db2.gz OADASXVPEQWHKU-RCJHGTSTSA-N 1 1 363.458 -0.031 50 0 FBAAMO O=S1(=O)C[C@@H]2NCCN(c3cc[nH+]c(N4CCSCC4)n3)[C@@H]2C1 ZINC000077471134 132186803 /nfs/dbraw/zinc/18/68/03/132186803.db2.gz RQXZKGRTFPLIMS-NWDGAFQWSA-N 1 1 355.489 -0.395 50 0 FBAAMO Cn1c(=O)[nH]cc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1=O ZINC000077471686 483746693 /nfs/dbraw/zinc/74/66/93/483746693.db2.gz XNOVOTHCYNTBQT-CQSZACIVSA-N 1 1 350.419 -0.671 50 0 FBAAMO Cn1c(=O)[nH]cc(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1=O ZINC000077471687 483746754 /nfs/dbraw/zinc/74/67/54/483746754.db2.gz XNOVOTHCYNTBQT-AWEZNQCLSA-N 1 1 350.419 -0.671 50 0 FBAAMO CCN1CC[NH+](CCCN2CC3(CCN(C(=O)CO)CC3)OC2=O)CC1 ZINC000077504764 483746928 /nfs/dbraw/zinc/74/69/28/483746928.db2.gz MTAXGPXDXSHUAQ-UHFFFAOYSA-N 1 1 368.478 -0.180 50 0 FBAAMO O=S1(=O)C[C@@H]2NCCN(c3cc[nH+]c(N4CCCOCC4)n3)[C@@H]2C1 ZINC000077505382 132187981 /nfs/dbraw/zinc/18/79/81/132187981.db2.gz RMHLUDAABYVTAM-QWHCGFSZSA-N 1 1 353.448 -0.722 50 0 FBAAMO COCCCN(C)c1nc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1 ZINC000077516693 536515555 /nfs/dbraw/zinc/51/55/55/536515555.db2.gz HHRANWRIXYGYMS-QWHCGFSZSA-N 1 1 355.464 -0.476 50 0 FBAAMO COC(=O)CN1CCCn2nc(CCC(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000082092815 523177189 /nfs/dbraw/zinc/17/71/89/523177189.db2.gz QWRIORDVSGPZSD-UHFFFAOYSA-N 1 1 363.462 -0.032 50 0 FBAAMO C[NH+]1CCN(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)CC1 ZINC000082098021 483760244 /nfs/dbraw/zinc/76/02/44/483760244.db2.gz JRFLEGLLSBLFTA-UHFFFAOYSA-N 1 1 370.479 -0.495 50 0 FBAAMO CCC[N@H+]1CCCn2nc(CNC(=O)Cc3c[nH]c(=O)n(C)c3=O)cc2C1 ZINC000082106341 519854706 /nfs/dbraw/zinc/85/47/06/519854706.db2.gz NHZYBDOKZGLFKV-UHFFFAOYSA-N 1 1 374.445 -0.255 50 0 FBAAMO COCC[N@@H+](C)CC(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2 ZINC000082108892 523573539 /nfs/dbraw/zinc/57/35/39/523573539.db2.gz KRGIOSVRZZBALW-UHFFFAOYSA-N 1 1 366.466 -0.035 50 0 FBAAMO COCC[N@H+](C)CC(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2 ZINC000082108892 523573530 /nfs/dbraw/zinc/57/35/30/523573530.db2.gz KRGIOSVRZZBALW-UHFFFAOYSA-N 1 1 366.466 -0.035 50 0 FBAAMO NC(=O)CCN1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082114789 483759742 /nfs/dbraw/zinc/75/97/42/483759742.db2.gz QKAFVUPBGNHPSZ-HNNXBMFYSA-N 1 1 352.479 -0.103 50 0 FBAAMO NC(=O)CCN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082114791 483759688 /nfs/dbraw/zinc/75/96/88/483759688.db2.gz QKAFVUPBGNHPSZ-OAHLLOKOSA-N 1 1 352.479 -0.103 50 0 FBAAMO C[C@@H]1CCCCN1C1CN(C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)C1 ZINC000082114823 524098124 /nfs/dbraw/zinc/09/81/24/524098124.db2.gz QJGOVKYOPAMMQY-OAHLLOKOSA-N 1 1 361.494 -0.118 50 0 FBAAMO C[C@H]1CCCCN1C1CN(C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)C1 ZINC000082114825 526245182 /nfs/dbraw/zinc/24/51/82/526245182.db2.gz QJGOVKYOPAMMQY-HNNXBMFYSA-N 1 1 361.494 -0.118 50 0 FBAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)Cc3c[nH]c(=O)[nH]c3=O)cc2C1 ZINC000082126975 519722948 /nfs/dbraw/zinc/72/29/48/519722948.db2.gz ZNIDOYWTPMMBDG-UHFFFAOYSA-N 1 1 374.445 -0.020 50 0 FBAAMO NC(=O)NCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082134418 205646711 /nfs/dbraw/zinc/64/67/11/205646711.db2.gz XXOZVAGKTCEVBL-CQSZACIVSA-N 1 1 365.478 -0.020 50 0 FBAAMO NC(=O)NCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082134421 526930455 /nfs/dbraw/zinc/93/04/55/526930455.db2.gz XXOZVAGKTCEVBL-AWEZNQCLSA-N 1 1 365.478 -0.020 50 0 FBAAMO CS(=O)(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082136692 483760115 /nfs/dbraw/zinc/76/01/15/483760115.db2.gz LXLPIDMURXVYBQ-AWEZNQCLSA-N 1 1 359.492 -0.019 50 0 FBAAMO CS(=O)(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082136693 483759909 /nfs/dbraw/zinc/75/99/09/483759909.db2.gz LXLPIDMURXVYBQ-CQSZACIVSA-N 1 1 359.492 -0.019 50 0 FBAAMO C[C@@H](C(N)=O)N1CCCn2nc(CCC(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000082138961 483759734 /nfs/dbraw/zinc/75/97/34/483759734.db2.gz RAMGUYGFHWXNIS-AWEZNQCLSA-N 1 1 362.478 -0.331 50 0 FBAAMO C[C@H](C(N)=O)N1CCCn2nc(CCC(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000082138962 483759878 /nfs/dbraw/zinc/75/98/78/483759878.db2.gz RAMGUYGFHWXNIS-CQSZACIVSA-N 1 1 362.478 -0.331 50 0 FBAAMO Nc1nnnn1CC(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082156964 527578932 /nfs/dbraw/zinc/57/89/32/527578932.db2.gz UPACWELVKKAGAT-UHFFFAOYSA-N 1 1 359.438 -0.084 50 0 FBAAMO Cc1cn(CC(=O)NCc2cc3n(n2)CC[N@H+](CC(C)C)C3)c(=O)[nH]c1=O ZINC000082158189 525910112 /nfs/dbraw/zinc/91/01/12/525910112.db2.gz MLPUCAGBQMIXPK-UHFFFAOYSA-N 1 1 374.445 -0.170 50 0 FBAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)Cn3ccc(=O)[nH]c3=O)cc2C1 ZINC000082160522 519723392 /nfs/dbraw/zinc/72/33/92/519723392.db2.gz IKFMVJKLCFFNDA-UHFFFAOYSA-N 1 1 374.445 -0.089 50 0 FBAAMO CNC(=O)CN1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082170734 483760346 /nfs/dbraw/zinc/76/03/46/483760346.db2.gz SKDLIDPESOUEPQ-HNNXBMFYSA-N 1 1 352.479 -0.232 50 0 FBAAMO CNC(=O)CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082170736 205647272 /nfs/dbraw/zinc/64/72/72/205647272.db2.gz SKDLIDPESOUEPQ-OAHLLOKOSA-N 1 1 352.479 -0.232 50 0 FBAAMO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCCN(CC(=O)OC)CC2)CC1 ZINC000084793563 484101517 /nfs/dbraw/zinc/10/15/17/484101517.db2.gz HTLDMVCSQHBKQK-UHFFFAOYSA-N 1 1 370.450 -0.532 50 0 FBAAMO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCCN(CC(=O)OC)CC2)CC1 ZINC000084793563 484101511 /nfs/dbraw/zinc/10/15/11/484101511.db2.gz HTLDMVCSQHBKQK-UHFFFAOYSA-N 1 1 370.450 -0.532 50 0 FBAAMO CS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C[C@H](O)C3CC3)CC2)CC1 ZINC000085436685 525160523 /nfs/dbraw/zinc/16/05/23/525160523.db2.gz YOFQZUMMWMPSPZ-HNNXBMFYSA-N 1 1 359.492 -0.427 50 0 FBAAMO CS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C[C@@H](O)C3CC3)CC2)CC1 ZINC000085436686 484147191 /nfs/dbraw/zinc/14/71/91/484147191.db2.gz YOFQZUMMWMPSPZ-OAHLLOKOSA-N 1 1 359.492 -0.427 50 0 FBAAMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000085532950 483767994 /nfs/dbraw/zinc/76/79/94/483767994.db2.gz VZKZBBAWVLDNQT-QWHCGFSZSA-N 1 1 369.447 -0.817 50 0 FBAAMO Cn1c2ncn(CC(=O)N3CC[N@@H+](C)CC34CCCC4)c2c(=O)n(C)c1=O ZINC000085558059 484175912 /nfs/dbraw/zinc/17/59/12/484175912.db2.gz LHBWOBLTLQUXAC-UHFFFAOYSA-N 1 1 374.445 -0.480 50 0 FBAAMO O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCC[NH+]1CCOCC1 ZINC000085874937 527182090 /nfs/dbraw/zinc/18/20/90/527182090.db2.gz BTZBPMIKDSXBHK-OAHLLOKOSA-N 1 1 360.414 -0.034 50 0 FBAAMO Cc1nnc2ccc(N3CC[NH+](CCCOC(=O)NC(N)=O)CC3)nn12 ZINC000089740948 526413477 /nfs/dbraw/zinc/41/34/77/526413477.db2.gz QHHAOIOCFIKJIA-UHFFFAOYSA-N 1 1 362.394 -0.250 50 0 FBAAMO Cn1nc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCOCC3)C2)ccc1=O ZINC000091270577 483794092 /nfs/dbraw/zinc/79/40/92/483794092.db2.gz QIDQKMVAVOUMMK-KGLIPLIRSA-N 1 1 350.419 -0.817 50 0 FBAAMO CC[N@H+]1CCc2[nH]cnc2C12CCN(C(=O)Cc1[nH]c(O)nc1O)CC2 ZINC000091289509 521723502 /nfs/dbraw/zinc/72/35/02/521723502.db2.gz LWRGCSCAYWXJPI-GFCCVEGCSA-N 1 1 360.418 -0.297 50 0 FBAAMO CC[N@H+]1CCc2[nH]cnc2C12CCN(C(=O)Cc1[nH]c(O)nc1O)CC2 ZINC000091289510 521723707 /nfs/dbraw/zinc/72/37/07/521723707.db2.gz LWRGCSCAYWXJPI-LBPRGKRZSA-N 1 1 360.418 -0.297 50 0 FBAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000091321034 526883161 /nfs/dbraw/zinc/88/31/61/526883161.db2.gz DLAMWWQBIIJAKK-CYBMUJFWSA-N 1 1 350.394 -0.131 50 0 FBAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000091321035 526883840 /nfs/dbraw/zinc/88/38/40/526883840.db2.gz DLAMWWQBIIJAKK-ZDUSSCGKSA-N 1 1 350.394 -0.131 50 0 FBAAMO O=C(Cn1cccnc1=O)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091321594 527389900 /nfs/dbraw/zinc/38/99/00/527389900.db2.gz DWBPZBDDVOOXRA-HUUCEWRRSA-N 1 1 350.419 -0.968 50 0 FBAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)Cn3cnnn3)CC2)n1C ZINC000091325252 527449575 /nfs/dbraw/zinc/44/95/75/527449575.db2.gz KKHLCQWWDRTCKG-UHFFFAOYSA-N 1 1 370.421 -0.239 50 0 FBAAMO Cc1nonc1C(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CCO)CC2 ZINC000091364741 483794623 /nfs/dbraw/zinc/79/46/23/483794623.db2.gz SQKPTDIDIZGLNR-INIZCTEOSA-N 1 1 351.407 -0.491 50 0 FBAAMO Cc1nonc1C(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CCO)CC2 ZINC000091364742 483794334 /nfs/dbraw/zinc/79/43/34/483794334.db2.gz SQKPTDIDIZGLNR-MRXNPFEDSA-N 1 1 351.407 -0.491 50 0 FBAAMO O=C(CN1CCCCC1=O)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091365241 526738457 /nfs/dbraw/zinc/73/84/57/526738457.db2.gz IRVXIQLMIFZBRN-HZPDHXFCSA-N 1 1 353.463 -0.212 50 0 FBAAMO COCC[N@H+]1C[C@H](NC(=O)CNS(C)(=O)=O)[C@@H](c2ccc(C)o2)C1 ZINC000091390764 483794521 /nfs/dbraw/zinc/79/45/21/483794521.db2.gz MYWHWQZWVDIQQB-STQMWFEESA-N 1 1 359.448 -0.332 50 0 FBAAMO CCC[C@H]1C[N@@H+](CCCO)C[C@@H]1NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000091391322 521217543 /nfs/dbraw/zinc/21/75/43/521217543.db2.gz ZAIHFKQEWLJTBB-STQMWFEESA-N 1 1 352.435 -0.703 50 0 FBAAMO C[NH+](C)CCC(=O)N1CCC2(CC1)c1[nH]cnc1CCN2S(C)(=O)=O ZINC000091427068 483794708 /nfs/dbraw/zinc/79/47/08/483794708.db2.gz HUTKOCCEWFZPQC-UHFFFAOYSA-N 1 1 369.491 -0.003 50 0 FBAAMO O=C(c1c[nH]c(=O)cc1O)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091435123 526579601 /nfs/dbraw/zinc/57/96/01/526579601.db2.gz HRCFKPJWEXHPDO-CHWSQXEVSA-N 1 1 351.403 -0.517 50 0 FBAAMO Cn1cnc(S(=O)(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)c1 ZINC000091440009 483794678 /nfs/dbraw/zinc/79/46/78/483794678.db2.gz QTTIPWIJPIJWLE-HNNXBMFYSA-N 1 1 355.464 -0.263 50 0 FBAAMO Cn1cnc(S(=O)(=O)N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)c1 ZINC000091440009 483794676 /nfs/dbraw/zinc/79/46/76/483794676.db2.gz QTTIPWIJPIJWLE-HNNXBMFYSA-N 1 1 355.464 -0.263 50 0 FBAAMO CC[N@@H+](C)C[C@@H]1CN(c2cncc(C(=O)N3CCOCC3)n2)C[C@@H]1CO ZINC000091440289 483794754 /nfs/dbraw/zinc/79/47/54/483794754.db2.gz NCQVMYLJCLZAPM-HUUCEWRRSA-N 1 1 363.462 -0.055 50 0 FBAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2nnc3n2CCCCC3)C[C@@H]1CO ZINC000091444463 522884084 /nfs/dbraw/zinc/88/40/84/522884084.db2.gz HPRFSWBKDBLCKT-ZIAGYGMSSA-N 1 1 351.451 -0.391 50 0 FBAAMO Cn1ccnc1CNC(=O)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091444522 527436371 /nfs/dbraw/zinc/43/63/71/527436371.db2.gz KFHSFVWCRKZZNC-OAHLLOKOSA-N 1 1 363.462 -0.003 50 0 FBAAMO Cn1ccnc1CNC(=O)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091444523 527434997 /nfs/dbraw/zinc/43/49/97/527434997.db2.gz KFHSFVWCRKZZNC-HNNXBMFYSA-N 1 1 363.462 -0.003 50 0 FBAAMO Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CN(S(C)(=O)=O)C[C@@]2(C(=O)[O-])C1 ZINC000091444915 483794745 /nfs/dbraw/zinc/79/47/45/483794745.db2.gz HDJCXSXIFLXPCX-ZFWWWQNUSA-N 1 1 356.448 -0.140 50 0 FBAAMO Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CN(S(C)(=O)=O)C[C@@]2(C(=O)[O-])C1 ZINC000091444915 483794740 /nfs/dbraw/zinc/79/47/40/483794740.db2.gz HDJCXSXIFLXPCX-ZFWWWQNUSA-N 1 1 356.448 -0.140 50 0 FBAAMO CCN1CC[C@]2(CN(Cc3nc(C(=O)NC)no3)CC[N@H+]2C)CCC1=O ZINC000091452169 483794702 /nfs/dbraw/zinc/79/47/02/483794702.db2.gz AVXICIGRKLHPCC-KRWDZBQOSA-N 1 1 364.450 -0.052 50 0 FBAAMO CCN1CC[C@@]2(CN(Cc3nc(C(=O)NC)no3)CC[N@H+]2C)CCC1=O ZINC000091452170 483794300 /nfs/dbraw/zinc/79/43/00/483794300.db2.gz AVXICIGRKLHPCC-QGZVFWFLSA-N 1 1 364.450 -0.052 50 0 FBAAMO CCC[C@H]1C[N@@H+](Cc2[nH]cnc2C)C[C@@H]1NC(=O)CNS(C)(=O)=O ZINC000091452510 521220735 /nfs/dbraw/zinc/22/07/35/521220735.db2.gz CUNQANVWKQKXCR-JSGCOSHPSA-N 1 1 357.480 -0.016 50 0 FBAAMO COC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000091452534 522799497 /nfs/dbraw/zinc/79/94/97/522799497.db2.gz SPLNPVWZMOXTCH-CYBMUJFWSA-N 1 1 357.432 -0.982 50 0 FBAAMO COC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000091452535 522417419 /nfs/dbraw/zinc/41/74/19/522417419.db2.gz SPLNPVWZMOXTCH-ZDUSSCGKSA-N 1 1 357.432 -0.982 50 0 FBAAMO COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CC[NH2+]C1)CC2 ZINC000091459310 483794613 /nfs/dbraw/zinc/79/46/13/483794613.db2.gz UCWCOBRRGSXCBY-CYBMUJFWSA-N 1 1 361.446 -0.132 50 0 FBAAMO COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CC[NH2+]C1)CC2 ZINC000091459311 483794315 /nfs/dbraw/zinc/79/43/15/483794315.db2.gz UCWCOBRRGSXCBY-ZDUSSCGKSA-N 1 1 361.446 -0.132 50 0 FBAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(C)n(C)c2=O)C[C@@H]1CO ZINC000091462063 523620664 /nfs/dbraw/zinc/62/06/64/523620664.db2.gz MCJSJAQMGIPRDH-HUUCEWRRSA-N 1 1 351.447 -0.048 50 0 FBAAMO Cc1nnc(CCC(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)[nH]1 ZINC000091468251 526806438 /nfs/dbraw/zinc/80/64/38/526806438.db2.gz KBHQKOOWWNNCRE-HUUCEWRRSA-N 1 1 350.467 -0.640 50 0 FBAAMO CN1CCC[N@@H+](C[C@@H]2CN(c3nc(C(N)=O)cs3)C[C@@H]2CO)CC1 ZINC000091486421 483794464 /nfs/dbraw/zinc/79/44/64/483794464.db2.gz LYKPTDLGKYZOQH-CHWSQXEVSA-N 1 1 353.492 -0.076 50 0 FBAAMO CN1CCC[N@H+](C[C@@H]2CN(c3nc(C(N)=O)cs3)C[C@@H]2CO)CC1 ZINC000091486421 483794462 /nfs/dbraw/zinc/79/44/62/483794462.db2.gz LYKPTDLGKYZOQH-CHWSQXEVSA-N 1 1 353.492 -0.076 50 0 FBAAMO C[N@H+]1CCCN(C[C@@H]2CN(c3nc(C(N)=O)cs3)C[C@@H]2CO)CC1 ZINC000091486421 483794459 /nfs/dbraw/zinc/79/44/59/483794459.db2.gz LYKPTDLGKYZOQH-CHWSQXEVSA-N 1 1 353.492 -0.076 50 0 FBAAMO Cc1cc(C[N@H+]2C[C@H](NC(=O)CNS(C)(=O)=O)[C@@H](C3CC3)C2)on1 ZINC000091492977 524716790 /nfs/dbraw/zinc/71/67/90/524716790.db2.gz QYJXAUSDEYLQSK-KGLIPLIRSA-N 1 1 356.448 -0.141 50 0 FBAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091493861 524968453 /nfs/dbraw/zinc/96/84/53/524968453.db2.gz HMBCTDJIVBFALW-QKPAOTATSA-N 1 1 351.451 -0.156 50 0 FBAAMO Cn1nc2c(c1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1)CCCC2 ZINC000091503779 522883254 /nfs/dbraw/zinc/88/32/54/522883254.db2.gz PNHHMLRTSPWYSP-ZIAGYGMSSA-N 1 1 350.463 -0.097 50 0 FBAAMO O=C(CCCn1cncn1)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091505199 526472173 /nfs/dbraw/zinc/47/21/73/526472173.db2.gz ZZLYMPLJOUPPKA-HZPDHXFCSA-N 1 1 351.451 -0.153 50 0 FBAAMO CCCC[N@H+]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C(=O)NCC ZINC000091518600 483795401 /nfs/dbraw/zinc/79/54/01/483795401.db2.gz VUCFYELEIRJLGP-YPMHNXCESA-N 1 1 365.434 -0.818 50 0 FBAAMO Cc1nnc(CCC(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)[nH]1 ZINC000091518944 526806158 /nfs/dbraw/zinc/80/61/58/526806158.db2.gz SBXKXTBNJUOKDN-HUUCEWRRSA-N 1 1 351.451 -0.165 50 0 FBAAMO CC(C)([NH3+])C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2S(C)(=O)=O ZINC000091519405 483795495 /nfs/dbraw/zinc/79/54/95/483795495.db2.gz JOEPVBZHYXHEBQ-UHFFFAOYSA-N 1 1 355.464 -0.218 50 0 FBAAMO Cc1nnc(CCC(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCOCC3)C2)[nH]1 ZINC000091535770 526805663 /nfs/dbraw/zinc/80/56/63/526805663.db2.gz SBXKXTBNJUOKDN-CABCVRRESA-N 1 1 351.451 -0.165 50 0 FBAAMO Nc1nnc(SCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000091535906 527578129 /nfs/dbraw/zinc/57/81/29/527578129.db2.gz UUMCQFFRLHNBMW-GHMZBOCLSA-N 1 1 373.504 -0.389 50 0 FBAAMO COCCN1CCN(C(=O)C[N@@H+](C)C2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091536760 523840291 /nfs/dbraw/zinc/84/02/91/523840291.db2.gz FHAHVFSNXBLOES-CVEARBPZSA-N 1 1 373.519 -0.183 50 0 FBAAMO COCCN1CCN(C(=O)C[N@H+](C)C2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091536760 523840285 /nfs/dbraw/zinc/84/02/85/523840285.db2.gz FHAHVFSNXBLOES-CVEARBPZSA-N 1 1 373.519 -0.183 50 0 FBAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2nc3ccccc3[nH]c2=O)C[C@@H]1CO ZINC000091551575 522883591 /nfs/dbraw/zinc/88/35/91/522883591.db2.gz BZKWIYZKCCNWFT-CHWSQXEVSA-N 1 1 360.414 -0.472 50 0 FBAAMO O=C(c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1)N1CCC[C@H](O)C1 ZINC000091562667 483795140 /nfs/dbraw/zinc/79/51/40/483795140.db2.gz HANJTNMKSGODDD-AWEZNQCLSA-N 1 1 353.444 -0.123 50 0 FBAAMO O=C(c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1)N1CCC[C@@H](O)C1 ZINC000091562668 483794930 /nfs/dbraw/zinc/79/49/30/483794930.db2.gz HANJTNMKSGODDD-CQSZACIVSA-N 1 1 353.444 -0.123 50 0 FBAAMO NS(=O)(=O)CCCC(=O)N[C@H]1C[N@@H+](CCO)C[C@@H]1c1ccccc1 ZINC000091563311 657477553 /nfs/dbraw/zinc/47/75/53/657477553.db2.gz LYCFMQLBEQLWRI-CABCVRRESA-N 1 1 355.460 -0.368 50 0 FBAAMO CC(=O)c1c(C)nn(CC(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c1C ZINC000091563460 483795098 /nfs/dbraw/zinc/79/50/98/483795098.db2.gz KDYYTGVYIADFGP-HZPDHXFCSA-N 1 1 366.462 -0.306 50 0 FBAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@@H]1CO ZINC000091574395 522884710 /nfs/dbraw/zinc/88/47/10/522884710.db2.gz SWDFCSYIKCHTLC-VXGBXAGGSA-N 1 1 366.443 -0.639 50 0 FBAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)Cn2nc3ccccc3n2)C[C@@H]1CO ZINC000091575445 521119433 /nfs/dbraw/zinc/11/94/33/521119433.db2.gz QVCOVJUJXLFVGW-HUUCEWRRSA-N 1 1 361.446 -0.188 50 0 FBAAMO Cc1cn(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)c(=O)[nH]c1=O ZINC000091586032 483795502 /nfs/dbraw/zinc/79/55/02/483795502.db2.gz RKUNVZSQCHFUJQ-UHFFFAOYSA-N 1 1 372.429 -0.426 50 0 FBAAMO Cc1nnnn1CC(=O)N[C@H]1C[N@H+](CCS(C)(=O)=O)C[C@@H]1C(C)C ZINC000091586526 526436337 /nfs/dbraw/zinc/43/63/37/526436337.db2.gz NAMMRHTVTIEUCJ-OLZOCXBDSA-N 1 1 358.468 -0.901 50 0 FBAAMO Cc1nnnn1CC(=O)N[C@H]1C[N@@H+](CCS(C)(=O)=O)C[C@@H]1C(C)C ZINC000091586526 526436333 /nfs/dbraw/zinc/43/63/33/526436333.db2.gz NAMMRHTVTIEUCJ-OLZOCXBDSA-N 1 1 358.468 -0.901 50 0 FBAAMO NS(=O)(=O)c1cccc(C(=O)N[C@H]2C[N@@H+](CCO)C[C@@H]2C2CC2)c1 ZINC000091593582 661812235 /nfs/dbraw/zinc/81/22/35/661812235.db2.gz KJEDIOFYOMSVNY-CABCVRRESA-N 1 1 353.444 -0.234 50 0 FBAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)c3ccc4nnnn4c3)C[C@@H]2CO)CC1 ZINC000091595753 483795487 /nfs/dbraw/zinc/79/54/87/483795487.db2.gz UYGHDAIMBGHTIL-HUUCEWRRSA-N 1 1 359.434 -0.948 50 0 FBAAMO CC(C)[C@H]1C[N@@H+](CCS(C)(=O)=O)C[C@@H]1NC(=O)CCn1cncn1 ZINC000091603985 519826980 /nfs/dbraw/zinc/82/69/80/519826980.db2.gz MCTPENAXUGEMBT-KGLIPLIRSA-N 1 1 357.480 -0.215 50 0 FBAAMO CC(C)[C@H]1C[N@H+](CCS(C)(=O)=O)C[C@@H]1NC(=O)CCn1cncn1 ZINC000091603985 519826979 /nfs/dbraw/zinc/82/69/79/519826979.db2.gz MCTPENAXUGEMBT-KGLIPLIRSA-N 1 1 357.480 -0.215 50 0 FBAAMO CCC[C@H]1C[N@@H+](Cc2cncnc2)C[C@@H]1NC(=O)CNS(C)(=O)=O ZINC000091620253 483795391 /nfs/dbraw/zinc/79/53/91/483795391.db2.gz JKAMSICWGIUSTE-KBPBESRZSA-N 1 1 355.464 -0.258 50 0 FBAAMO CCC[C@H]1C[N@H+](Cc2cncnc2)C[C@@H]1NC(=O)CNS(C)(=O)=O ZINC000091620253 483795385 /nfs/dbraw/zinc/79/53/85/483795385.db2.gz JKAMSICWGIUSTE-KBPBESRZSA-N 1 1 355.464 -0.258 50 0 FBAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2CO)CC1 ZINC000091620400 523806451 /nfs/dbraw/zinc/80/64/51/523806451.db2.gz ODLSTOOHBJEAOF-HZPDHXFCSA-N 1 1 350.467 -0.627 50 0 FBAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2CO)CC1 ZINC000091620400 523806441 /nfs/dbraw/zinc/80/64/41/523806441.db2.gz ODLSTOOHBJEAOF-HZPDHXFCSA-N 1 1 350.467 -0.627 50 0 FBAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2CO)CC1 ZINC000091620400 523806433 /nfs/dbraw/zinc/80/64/33/523806433.db2.gz ODLSTOOHBJEAOF-HZPDHXFCSA-N 1 1 350.467 -0.627 50 0 FBAAMO Cn1cc(CNC(=O)[C@@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)cn1 ZINC000091624669 527212463 /nfs/dbraw/zinc/21/24/63/527212463.db2.gz CBUWQVBBQDQEGL-MRXNPFEDSA-N 1 1 363.462 -0.003 50 0 FBAAMO Cn1cc(CNC(=O)[C@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)cn1 ZINC000091624670 527213233 /nfs/dbraw/zinc/21/32/33/527213233.db2.gz CBUWQVBBQDQEGL-INIZCTEOSA-N 1 1 363.462 -0.003 50 0 FBAAMO Cc1nc(CNS(=O)(=O)c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)n[nH]1 ZINC000091624998 483794883 /nfs/dbraw/zinc/79/48/83/483794883.db2.gz JQFTVJVEVQMJJD-LBPRGKRZSA-N 1 1 364.431 -0.235 50 0 FBAAMO CS(=O)(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CC[NH2+]C1)CC2 ZINC000091625998 221773920 /nfs/dbraw/zinc/77/39/20/221773920.db2.gz RQLKQKYZLHATIL-GFCCVEGCSA-N 1 1 367.475 -0.345 50 0 FBAAMO CS(=O)(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CC[NH2+]C1)CC2 ZINC000091625999 483795221 /nfs/dbraw/zinc/79/52/21/483795221.db2.gz RQLKQKYZLHATIL-LBPRGKRZSA-N 1 1 367.475 -0.345 50 0 FBAAMO O=C(CCCn1cncn1)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091636990 526472781 /nfs/dbraw/zinc/47/27/81/526472781.db2.gz ZZLYMPLJOUPPKA-CVEARBPZSA-N 1 1 351.451 -0.153 50 0 FBAAMO Cc1nc(C2CCN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)cc(=O)[nH]1 ZINC000091637017 483795210 /nfs/dbraw/zinc/79/52/10/483795210.db2.gz UKQTUOQEBFSEQC-CQSZACIVSA-N 1 1 361.446 -0.018 50 0 FBAAMO Cc1nc(C2CCN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)cc(=O)[nH]1 ZINC000091637019 526779244 /nfs/dbraw/zinc/77/92/44/526779244.db2.gz UKQTUOQEBFSEQC-AWEZNQCLSA-N 1 1 361.446 -0.018 50 0 FBAAMO CCc1cc(N2CCN(C(=O)C3CC[NH+](CC(N)=O)CC3)CC2)ncn1 ZINC000091643823 132202659 /nfs/dbraw/zinc/20/26/59/132202659.db2.gz BLESEXRUEQJHKF-UHFFFAOYSA-N 1 1 360.462 -0.115 50 0 FBAAMO CCN(C)S(=O)(=O)N[C@H]1C[N@@H+](CCCn2cnnn2)C[C@@H]1C(C)C ZINC000091644437 520265176 /nfs/dbraw/zinc/26/51/76/520265176.db2.gz CEQTVSVOMGKRCP-KGLIPLIRSA-N 1 1 359.500 -0.194 50 0 FBAAMO Cc1nc(C[N@@H+]2C[C@H](NS(=O)(=O)N(C)C)[C@@H](C3CC3)C2)cc(=O)[nH]1 ZINC000091644443 483795184 /nfs/dbraw/zinc/79/51/84/483795184.db2.gz AZXSAFZYHFUJBO-KGLIPLIRSA-N 1 1 355.464 -0.315 50 0 FBAAMO Cc1nc(C[N@H+]2C[C@H](NS(=O)(=O)N(C)C)[C@@H](C3CC3)C2)cc(=O)[nH]1 ZINC000091644443 483795180 /nfs/dbraw/zinc/79/51/80/483795180.db2.gz AZXSAFZYHFUJBO-KGLIPLIRSA-N 1 1 355.464 -0.315 50 0 FBAAMO C[N@H+]1CCCN(C[C@H]2C[C@@H](CO)CN(C(=O)Cn3nccn3)C2)CC1 ZINC000091645923 523806777 /nfs/dbraw/zinc/80/67/77/523806777.db2.gz JOFATUMMINCEMB-HZPDHXFCSA-N 1 1 350.467 -0.627 50 0 FBAAMO C[N@@H+]1CCCN(C[C@H]2C[C@@H](CO)CN(C(=O)Cn3nccn3)C2)CC1 ZINC000091645923 523806773 /nfs/dbraw/zinc/80/67/73/523806773.db2.gz JOFATUMMINCEMB-HZPDHXFCSA-N 1 1 350.467 -0.627 50 0 FBAAMO CN1CCC[N@@H+](C[C@H]2C[C@@H](CO)CN(C(=O)Cn3nccn3)C2)CC1 ZINC000091645923 523806765 /nfs/dbraw/zinc/80/67/65/523806765.db2.gz JOFATUMMINCEMB-HZPDHXFCSA-N 1 1 350.467 -0.627 50 0 FBAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1c[nH]c(=O)[nH]c1=O)CC2 ZINC000091655912 483796117 /nfs/dbraw/zinc/79/61/17/483796117.db2.gz CTLGNSDCNGFWEU-UHFFFAOYSA-N 1 1 372.429 -0.275 50 0 FBAAMO Cn1cnnc1CCC(=O)N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000091663335 527521335 /nfs/dbraw/zinc/52/13/35/527521335.db2.gz OWFILDXSQNFPFA-HUUCEWRRSA-N 1 1 350.467 -0.938 50 0 FBAAMO C[N@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)C3(C(N)=O)CC3)C2)CC1 ZINC000091663963 483795857 /nfs/dbraw/zinc/79/58/57/483795857.db2.gz ZDBOPKHDXFRBPI-CABCVRRESA-N 1 1 352.479 -0.654 50 0 FBAAMO C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)C3(C(N)=O)CC3)C2)CC1 ZINC000091663963 483795854 /nfs/dbraw/zinc/79/58/54/483795854.db2.gz ZDBOPKHDXFRBPI-CABCVRRESA-N 1 1 352.479 -0.654 50 0 FBAAMO CN1CCC[N@@H+](C[C@H]2C[C@H](CO)CN(C(=O)C3(C(N)=O)CC3)C2)CC1 ZINC000091663963 483795852 /nfs/dbraw/zinc/79/58/52/483795852.db2.gz ZDBOPKHDXFRBPI-CABCVRRESA-N 1 1 352.479 -0.654 50 0 FBAAMO NS(=O)(=O)c1ccc(C(=O)N[C@H]2C[N@@H+](CCO)C[C@@H]2C2CC2)cc1 ZINC000091664220 483796111 /nfs/dbraw/zinc/79/61/11/483796111.db2.gz QUGPTIQCPJVOSR-CABCVRRESA-N 1 1 353.444 -0.234 50 0 FBAAMO O=C(Cn1cccnc1=O)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091664271 661813237 /nfs/dbraw/zinc/81/32/37/661813237.db2.gz DWBPZBDDVOOXRA-CABCVRRESA-N 1 1 350.419 -0.968 50 0 FBAAMO CS(=O)(=O)CC[N@H+]1C[C@H](NC(=O)CN2CCCC2=O)[C@@H](C2CC2)C1 ZINC000091664312 525123651 /nfs/dbraw/zinc/12/36/51/525123651.db2.gz KDWIIRPJEJZAMA-KGLIPLIRSA-N 1 1 357.476 -0.520 50 0 FBAAMO CS(=O)(=O)CC[N@@H+]1C[C@H](NC(=O)CN2CCCC2=O)[C@@H](C2CC2)C1 ZINC000091664312 525123645 /nfs/dbraw/zinc/12/36/45/525123645.db2.gz KDWIIRPJEJZAMA-KGLIPLIRSA-N 1 1 357.476 -0.520 50 0 FBAAMO CS(=O)(=O)NCCC(=O)N[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1C1CC1 ZINC000091664534 483795839 /nfs/dbraw/zinc/79/58/39/483795839.db2.gz VHSDWSFISQBJAQ-CABCVRRESA-N 1 1 359.492 -0.069 50 0 FBAAMO Cc1cc(C)nc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC000091665285 132203091 /nfs/dbraw/zinc/20/30/91/132203091.db2.gz YBHXZQCUXXJJCR-OAHLLOKOSA-N 1 1 360.462 -0.061 50 0 FBAAMO Cc1cc(C)nc(N2CCN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC000091665286 132203153 /nfs/dbraw/zinc/20/31/53/132203153.db2.gz YBHXZQCUXXJJCR-HNNXBMFYSA-N 1 1 360.462 -0.061 50 0 FBAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)CC2 ZINC000091679222 483796046 /nfs/dbraw/zinc/79/60/46/483796046.db2.gz CABAEPOVIDEMQN-UHFFFAOYSA-N 1 1 372.429 -0.194 50 0 FBAAMO O=C(CCCn1cnnn1)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091679263 526472239 /nfs/dbraw/zinc/47/22/39/526472239.db2.gz QOKMQQJTSJZRDP-CABCVRRESA-N 1 1 352.439 -0.758 50 0 FBAAMO Cc1ccc([C@H]2C[N@@H+](CCO)C[C@@H]2NC(=O)CN2C(=O)CNC2=O)o1 ZINC000091679752 526024394 /nfs/dbraw/zinc/02/43/94/526024394.db2.gz RCGLSTFGFYDNRH-RYUDHWBXSA-N 1 1 350.375 -0.984 50 0 FBAAMO Cn1c(CN2CCN(C)CC2)nnc1C1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000091690165 483796093 /nfs/dbraw/zinc/79/60/93/483796093.db2.gz RSPIWEGOONNGGZ-UHFFFAOYSA-N 1 1 361.494 -0.240 50 0 FBAAMO CS(=O)(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC000091693537 483795900 /nfs/dbraw/zinc/79/59/00/483795900.db2.gz IGLIUCSWJLSXKN-ZDUSSCGKSA-N 1 1 367.475 -0.203 50 0 FBAAMO CNC(=O)c1cc2c(n1C)CN(C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)CC2 ZINC000091694741 484673047 /nfs/dbraw/zinc/67/30/47/484673047.db2.gz BPHGAWNULOCRLS-CYBMUJFWSA-N 1 1 361.446 -0.533 50 0 FBAAMO CNC(=O)c1cc2c(n1C)CN(C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)CC2 ZINC000091694742 484672636 /nfs/dbraw/zinc/67/26/36/484672636.db2.gz BPHGAWNULOCRLS-ZDUSSCGKSA-N 1 1 361.446 -0.533 50 0 FBAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCn1ccc(=O)[nH]c1=O)C2 ZINC000091707968 523887368 /nfs/dbraw/zinc/88/73/68/523887368.db2.gz CIGADDQQHFDQTB-ZIAGYGMSSA-N 1 1 350.419 -0.504 50 0 FBAAMO CS(=O)(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000091708149 483796076 /nfs/dbraw/zinc/79/60/76/483796076.db2.gz IGLIUCSWJLSXKN-CYBMUJFWSA-N 1 1 367.475 -0.203 50 0 FBAAMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1C1CC1 ZINC000091725284 483795891 /nfs/dbraw/zinc/79/58/91/483795891.db2.gz AYLVRAPNGTXWAS-KGLIPLIRSA-N 1 1 350.419 -0.456 50 0 FBAAMO C[N@H+]1CCCN(CC(=O)N2CC[C@@]3(C2)CCCN(CCO)C3=O)CC1 ZINC000091747037 483796103 /nfs/dbraw/zinc/79/61/03/483796103.db2.gz DQAAFQGMKCXEEZ-GOSISDBHSA-N 1 1 352.479 -0.543 50 0 FBAAMO Cc1nc(N)sc1C(=O)N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000091769522 483796090 /nfs/dbraw/zinc/79/60/90/483796090.db2.gz ACGWHGAEDDRMLF-CHWSQXEVSA-N 1 1 353.492 -0.038 50 0 FBAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCc3sc(C(N)=O)cc3C2)C1 ZINC000091780135 483796400 /nfs/dbraw/zinc/79/64/00/483796400.db2.gz ATGTXHNDDWCSQS-SNVBAGLBSA-N 1 1 350.444 -0.071 50 0 FBAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCc3sc(C(N)=O)cc3C2)C1 ZINC000091780140 483796619 /nfs/dbraw/zinc/79/66/19/483796619.db2.gz ATGTXHNDDWCSQS-JTQLQIEISA-N 1 1 350.444 -0.071 50 0 FBAAMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1C1CC1 ZINC000091780740 483796437 /nfs/dbraw/zinc/79/64/37/483796437.db2.gz KCCXXPKJYRNSDC-CABCVRRESA-N 1 1 357.414 -0.040 50 0 FBAAMO CCC[C@H]1C[N@@H+](CCCn2nnnc2C)C[C@@H]1NS(=O)(=O)N(C)C ZINC000091780910 483796643 /nfs/dbraw/zinc/79/66/43/483796643.db2.gz UDIGTUHTDNJPSO-KBPBESRZSA-N 1 1 359.500 -0.132 50 0 FBAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)CN3CCCCC3=O)C[C@@H]2CO)CC1 ZINC000091781638 483796698 /nfs/dbraw/zinc/79/66/98/483796698.db2.gz HKHIMISCZFRTCJ-HZPDHXFCSA-N 1 1 352.479 -0.687 50 0 FBAAMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1C1CC1 ZINC000091792859 483796704 /nfs/dbraw/zinc/79/67/04/483796704.db2.gz PKDGXNRTKZOCPI-CABCVRRESA-N 1 1 357.414 -0.040 50 0 FBAAMO Cn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CC[NH2+]CC3)cc2)cn1 ZINC000091829119 483796667 /nfs/dbraw/zinc/79/66/67/483796667.db2.gz NVZOWTOYBXFAOI-UHFFFAOYSA-N 1 1 363.443 -0.056 50 0 FBAAMO CCC[C@H]1C[N@H+](C(CO)CO)C[C@@H]1NC(=O)c1cc(=O)c(OC)c[nH]1 ZINC000091829946 661813867 /nfs/dbraw/zinc/81/38/67/661813867.db2.gz JEZLTENXZKXTKF-FZMZJTMJSA-N 1 1 353.419 -0.433 50 0 FBAAMO Cc1nc(N)sc1CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091845681 483796613 /nfs/dbraw/zinc/79/66/13/483796613.db2.gz MHOODTJTNARMFU-CHWSQXEVSA-N 1 1 354.476 -0.025 50 0 FBAAMO Cc1ncc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)c(=O)[nH]1 ZINC000091848146 483796591 /nfs/dbraw/zinc/79/65/91/483796591.db2.gz AAHUOTJQWJQADU-ZIAGYGMSSA-N 1 1 350.419 -0.519 50 0 FBAAMO CC[N@H+]1CC[C@]2(O)CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000091860920 483796506 /nfs/dbraw/zinc/79/65/06/483796506.db2.gz GBCFHKXDDULWCC-SJCJKPOMSA-N 1 1 352.435 -0.378 50 0 FBAAMO C[N@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)Cn3nccn3)C2)CC1 ZINC000091871342 483796694 /nfs/dbraw/zinc/79/66/94/483796694.db2.gz JOFATUMMINCEMB-CVEARBPZSA-N 1 1 350.467 -0.627 50 0 FBAAMO C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)Cn3nccn3)C2)CC1 ZINC000091871342 483796692 /nfs/dbraw/zinc/79/66/92/483796692.db2.gz JOFATUMMINCEMB-CVEARBPZSA-N 1 1 350.467 -0.627 50 0 FBAAMO CN1CCC[N@@H+](C[C@H]2C[C@H](CO)CN(C(=O)Cn3nccn3)C2)CC1 ZINC000091871342 483796691 /nfs/dbraw/zinc/79/66/91/483796691.db2.gz JOFATUMMINCEMB-CVEARBPZSA-N 1 1 350.467 -0.627 50 0 FBAAMO Cn1c(=O)[nH]cc(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)c1=O ZINC000091876917 483796558 /nfs/dbraw/zinc/79/65/58/483796558.db2.gz RMDXTZCEXZSUIY-UHFFFAOYSA-N 1 1 372.429 -0.655 50 0 FBAAMO Cn1cncc1C[N@H+]1C[C@H](NC(=O)CNS(C)(=O)=O)[C@@H](C2CC2)C1 ZINC000091907329 483796806 /nfs/dbraw/zinc/79/68/06/483796806.db2.gz RPLDPJGCUZXQLR-KGLIPLIRSA-N 1 1 355.464 -0.704 50 0 FBAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)CNC(N)=O)C[N@H+]1CCc1ccccc1 ZINC000091907548 483796929 /nfs/dbraw/zinc/79/69/29/483796929.db2.gz CLFIIBSYXVNUHH-CABCVRRESA-N 1 1 361.446 -0.407 50 0 FBAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)CNC(N)=O)C[N@@H+]1CCc1ccccc1 ZINC000091907548 483796927 /nfs/dbraw/zinc/79/69/27/483796927.db2.gz CLFIIBSYXVNUHH-CABCVRRESA-N 1 1 361.446 -0.407 50 0 FBAAMO C[N@@H+](CCO)C[C@@H]1CN(c2cc(N3CCOCC3)ncn2)C[C@@H]1CO ZINC000091908453 536392169 /nfs/dbraw/zinc/39/21/69/536392169.db2.gz GKHLISXWAUFELU-HUUCEWRRSA-N 1 1 351.451 -0.718 50 0 FBAAMO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091915430 209005680 /nfs/dbraw/zinc/00/56/80/209005680.db2.gz NAJBKNKRHGQIAJ-DZGCQCFKSA-N 1 1 362.430 -0.362 50 0 FBAAMO Cc1nnc(CNC(=O)[C@@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)[nH]1 ZINC000091915515 483797335 /nfs/dbraw/zinc/79/73/35/483797335.db2.gz XEJNCPYKQUYBDN-CQSZACIVSA-N 1 1 364.450 -0.310 50 0 FBAAMO Cc1nnc(CNC(=O)[C@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)[nH]1 ZINC000091915516 483797498 /nfs/dbraw/zinc/79/74/98/483797498.db2.gz XEJNCPYKQUYBDN-AWEZNQCLSA-N 1 1 364.450 -0.310 50 0 FBAAMO O=C(NCCn1cccn1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091951516 483797714 /nfs/dbraw/zinc/79/77/14/483797714.db2.gz SVVPBTMSGLAOCM-MRXNPFEDSA-N 1 1 363.462 -0.040 50 0 FBAAMO O=C(NCCn1cccn1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091951518 483797324 /nfs/dbraw/zinc/79/73/24/483797324.db2.gz SVVPBTMSGLAOCM-INIZCTEOSA-N 1 1 363.462 -0.040 50 0 FBAAMO C[N@H+]1CCCN(CC(=O)N2C[C@H](NS(C)(=O)=O)[C@@H](C3CC3)C2)CC1 ZINC000091951811 483797260 /nfs/dbraw/zinc/79/72/60/483797260.db2.gz VGOVTCYYSODWGD-CABCVRRESA-N 1 1 358.508 -0.590 50 0 FBAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000091974285 483797301 /nfs/dbraw/zinc/79/73/01/483797301.db2.gz AZBWWRFBHJOJGF-HNNXBMFYSA-N 1 1 363.443 -0.187 50 0 FBAAMO [NH3+]C[C@@H](O)CC(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1 ZINC000091986209 483797482 /nfs/dbraw/zinc/79/74/82/483797482.db2.gz BMMUKXUXEUKCOK-HNNXBMFYSA-N 1 1 363.462 -0.107 50 0 FBAAMO [NH3+]C[C@H](O)CC(=O)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1 ZINC000091986216 483797242 /nfs/dbraw/zinc/79/72/42/483797242.db2.gz BMMUKXUXEUKCOK-OAHLLOKOSA-N 1 1 363.462 -0.107 50 0 FBAAMO CC(C)[C@H]1C[N@@H+](CCS(C)(=O)=O)C[C@@H]1NC(=O)c1cnc[nH]c1=O ZINC000092001497 483797446 /nfs/dbraw/zinc/79/74/46/483797446.db2.gz ZSUAFIJCQCQZOI-OLZOCXBDSA-N 1 1 356.448 -0.499 50 0 FBAAMO CC(C)[C@H]1C[N@H+](CCS(C)(=O)=O)C[C@@H]1NC(=O)c1cnc[nH]c1=O ZINC000092001497 483797444 /nfs/dbraw/zinc/79/74/44/483797444.db2.gz ZSUAFIJCQCQZOI-OLZOCXBDSA-N 1 1 356.448 -0.499 50 0 FBAAMO Cc1cc(N2CCN(C(=O)[C@@H]3CCCN(CC(N)=O)C3)CC2)nc(N)[nH+]1 ZINC000092001569 132205287 /nfs/dbraw/zinc/20/52/87/132205287.db2.gz BSTKFEYYMNQZAA-CYBMUJFWSA-N 1 1 361.450 -0.787 50 0 FBAAMO Cc1cc(N2CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)nc(N)[nH+]1 ZINC000092001571 132205324 /nfs/dbraw/zinc/20/53/24/132205324.db2.gz BSTKFEYYMNQZAA-ZDUSSCGKSA-N 1 1 361.450 -0.787 50 0 FBAAMO COCC[N@H+]1C[C@H](NC(=O)Cc2c[nH]c(=O)n(C)c2=O)[C@@H](C(C)C)C1 ZINC000092004545 483797567 /nfs/dbraw/zinc/79/75/67/483797567.db2.gz WTRSYOREAIOFFF-KGLIPLIRSA-N 1 1 352.435 -0.665 50 0 FBAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 ZINC000092020603 483797346 /nfs/dbraw/zinc/79/73/46/483797346.db2.gz NTDCLHRVPRCSOS-ZDUSSCGKSA-N 1 1 373.457 -0.196 50 0 FBAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 ZINC000092020607 483797310 /nfs/dbraw/zinc/79/73/10/483797310.db2.gz NTDCLHRVPRCSOS-CYBMUJFWSA-N 1 1 373.457 -0.196 50 0 FBAAMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1C[N@@H+](CCCO)C[C@@H]1C1CC1 ZINC000092028240 209013506 /nfs/dbraw/zinc/01/35/06/209013506.db2.gz AZBBHMMCPYLJCJ-OLZOCXBDSA-N 1 1 352.435 -0.474 50 0 FBAAMO C[NH+](C)CC(=O)N1CCC2(CC1)c1[nH]cnc1CCN2S(C)(=O)=O ZINC000092028622 209012752 /nfs/dbraw/zinc/01/27/52/209012752.db2.gz DAVBVLODSREVRT-UHFFFAOYSA-N 1 1 355.464 -0.393 50 0 FBAAMO C[N@H+]1C[C@H](NS(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)C[C@H]1CO ZINC000092028755 483797548 /nfs/dbraw/zinc/79/75/48/483797548.db2.gz MDXYORBUJJNRBR-KGLIPLIRSA-N 1 1 353.444 -0.078 50 0 FBAAMO C[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)C[C@H]1CO ZINC000092028755 483797544 /nfs/dbraw/zinc/79/75/44/483797544.db2.gz MDXYORBUJJNRBR-KGLIPLIRSA-N 1 1 353.444 -0.078 50 0 FBAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1CO ZINC000092038916 483797343 /nfs/dbraw/zinc/79/73/43/483797343.db2.gz UYSJPBBDRWOTED-HZPDHXFCSA-N 1 1 350.463 -0.441 50 0 FBAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1CO ZINC000092038916 483797341 /nfs/dbraw/zinc/79/73/41/483797341.db2.gz UYSJPBBDRWOTED-HZPDHXFCSA-N 1 1 350.463 -0.441 50 0 FBAAMO O=C(CCCn1cnnn1)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000092065733 221834621 /nfs/dbraw/zinc/83/46/21/221834621.db2.gz QOKMQQJTSJZRDP-HUUCEWRRSA-N 1 1 352.439 -0.758 50 0 FBAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccn3nnnc3c1)C2 ZINC000092066364 483797780 /nfs/dbraw/zinc/79/77/80/483797780.db2.gz HFXSTEOHMUAZCC-GXTWGEPZSA-N 1 1 357.418 -0.251 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccn3nnnc3c1)C2 ZINC000092066364 483797778 /nfs/dbraw/zinc/79/77/78/483797778.db2.gz HFXSTEOHMUAZCC-GXTWGEPZSA-N 1 1 357.418 -0.251 50 0 FBAAMO O=C(CN1CCCCC1=O)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000092066373 483797329 /nfs/dbraw/zinc/79/73/29/483797329.db2.gz IRVXIQLMIFZBRN-CVEARBPZSA-N 1 1 353.463 -0.212 50 0 FBAAMO CC(C)[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000092077716 483797364 /nfs/dbraw/zinc/79/73/64/483797364.db2.gz DALXXGNLPNDPPJ-OCCSQVGLSA-N 1 1 350.419 -0.072 50 0 FBAAMO C[NH+]1CCN(C(=O)CCc2cc3n(n2)CCN(S(C)(=O)=O)C3)CC1 ZINC000092080900 483798329 /nfs/dbraw/zinc/79/83/29/483798329.db2.gz PYSSABDDJPUHCF-UHFFFAOYSA-N 1 1 355.464 -0.635 50 0 FBAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)C[N@H+]1CC ZINC000092081448 483798154 /nfs/dbraw/zinc/79/81/54/483798154.db2.gz XLIXJRVMQARVCB-JSGCOSHPSA-N 1 1 368.459 -0.337 50 0 FBAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)C[N@@H+]1CC ZINC000092081448 483798149 /nfs/dbraw/zinc/79/81/49/483798149.db2.gz XLIXJRVMQARVCB-JSGCOSHPSA-N 1 1 368.459 -0.337 50 0 FBAAMO CC(=O)N1CCC(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000092098635 483798102 /nfs/dbraw/zinc/79/81/02/483798102.db2.gz LEZZRTOCTSLRKD-IAGOWNOFSA-N 1 1 353.463 -0.356 50 0 FBAAMO COCc1cc(CNC(=O)[C@H]2C[NH2+]C[C@H](C(=O)N3CCOCC3)C2)n[nH]1 ZINC000092099323 483798052 /nfs/dbraw/zinc/79/80/52/483798052.db2.gz DQSJZIPZDSWBFW-CHWSQXEVSA-N 1 1 365.434 -0.743 50 0 FBAAMO CS(=O)(=O)N1CCc2nc[nH]c2C12CCN(C(=O)C1([NH3+])CC1)CC2 ZINC000092107222 483798121 /nfs/dbraw/zinc/79/81/21/483798121.db2.gz FFYBPQTTZPPRMX-UHFFFAOYSA-N 1 1 353.448 -0.464 50 0 FBAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3ccn4nnnc4c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095356454 483822065 /nfs/dbraw/zinc/82/20/65/483822065.db2.gz YCWQQJNVNIPXKB-OCVGTWLNSA-N 1 1 374.445 -0.086 50 0 FBAAMO CC[NH+]1CCN(C[C@@H]2CN(c3cc(N)nc(N(C)C)n3)C[C@@H]2CO)CC1 ZINC000095357383 221857450 /nfs/dbraw/zinc/85/74/50/221857450.db2.gz FWEPFTCJFNCFKX-HUUCEWRRSA-N 1 1 363.510 -0.193 50 0 FBAAMO Cc1c(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cnc2ccnn21 ZINC000095359523 483822244 /nfs/dbraw/zinc/82/22/44/483822244.db2.gz AZBHYZMODZOGAB-HZPDHXFCSA-N 1 1 372.473 -0.034 50 0 FBAAMO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)c(=O)[nH]c1=O ZINC000095362291 483821880 /nfs/dbraw/zinc/82/18/80/483821880.db2.gz QJQFURKYZISDBJ-GXTWGEPZSA-N 1 1 362.430 -0.211 50 0 FBAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3cnc(N(C)C)nc3)C[C@@H]2C1 ZINC000095362661 483821933 /nfs/dbraw/zinc/82/19/33/483821933.db2.gz AZVZLWIKUGMTJO-CRAIPNDOSA-N 1 1 363.462 -0.026 50 0 FBAAMO COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3cnc(N(C)C)nc3)C[C@@H]2C1 ZINC000095362661 483821931 /nfs/dbraw/zinc/82/19/31/483821931.db2.gz AZVZLWIKUGMTJO-CRAIPNDOSA-N 1 1 363.462 -0.026 50 0 FBAAMO NC1=NC(=O)C2(CCN(C(=O)[C@H]3CCC[N@H+](C4CCOCC4)C3)CC2)N1 ZINC000095363205 483822088 /nfs/dbraw/zinc/82/20/88/483822088.db2.gz KTCPWJUVZOETTB-ZDUSSCGKSA-N 1 1 363.462 -0.317 50 0 FBAAMO NC1=NC(=O)C2(CCN(C(=O)[C@@H]3CCC[N@H+](C4CCOCC4)C3)CC2)N1 ZINC000095363206 483821956 /nfs/dbraw/zinc/82/19/56/483821956.db2.gz KTCPWJUVZOETTB-CYBMUJFWSA-N 1 1 363.462 -0.317 50 0 FBAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCn2cnnn2)C[N@H+]1Cc1ccccc1 ZINC000095366220 209031770 /nfs/dbraw/zinc/03/17/70/209031770.db2.gz GYGQPXKVHIDHBL-HOTGVXAUSA-N 1 1 371.445 -0.041 50 0 FBAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCn2cnnn2)C[N@@H+]1Cc1ccccc1 ZINC000095366220 209031767 /nfs/dbraw/zinc/03/17/67/209031767.db2.gz GYGQPXKVHIDHBL-HOTGVXAUSA-N 1 1 371.445 -0.041 50 0 FBAAMO CN(CC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2)C(N)=O ZINC000095367422 483822030 /nfs/dbraw/zinc/82/20/30/483822030.db2.gz LWULPTBAVFVVSC-SFHVURJKSA-N 1 1 365.478 -0.068 50 0 FBAAMO CN(CC(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2)C(N)=O ZINC000095367423 483821868 /nfs/dbraw/zinc/82/18/68/483821868.db2.gz LWULPTBAVFVVSC-GOSISDBHSA-N 1 1 365.478 -0.068 50 0 FBAAMO Cn1c2ccc(C(=O)N[C@@H]3C[C@@H](CO)[N@@H+](C)C3)cc2nc1N1CC[C@H](O)C1 ZINC000095368749 209033169 /nfs/dbraw/zinc/03/31/69/209033169.db2.gz DIOLAJVFHZXTBY-ILXRZTDVSA-N 1 1 373.457 -0.061 50 0 FBAAMO Cc1nnnn1CC(=O)N1C[C@H](CO)[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000095370105 483822658 /nfs/dbraw/zinc/82/26/58/483822658.db2.gz RAGIKRIGWAKIGC-AYRXBEOTSA-N 1 1 352.439 -0.842 50 0 FBAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)Cn3nc4ccccc4n3)C[C@@H]2CO)CC1 ZINC000095375488 209036550 /nfs/dbraw/zinc/03/65/50/209036550.db2.gz YAKHVXVHDPLGHO-HZPDHXFCSA-N 1 1 372.473 -0.254 50 0 FBAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3)C[C@@H]2CO)CC1 ZINC000095378238 483822471 /nfs/dbraw/zinc/82/24/71/483822471.db2.gz RQRAKDGQCFSVBD-HZPDHXFCSA-N 1 1 360.458 -0.061 50 0 FBAAMO COCCN1CC[C@]2(CN(S(=O)(=O)N(C)C)CC[N@H+]2C)CCC1=O ZINC000095380824 483822534 /nfs/dbraw/zinc/82/25/34/483822534.db2.gz PWJPQXAOEDSQQD-HNNXBMFYSA-N 1 1 362.496 -0.562 50 0 FBAAMO COCCN1CC[C@]2(CN(S(=O)(=O)N(C)C)CC[N@@H+]2C)CCC1=O ZINC000095380824 483822531 /nfs/dbraw/zinc/82/25/31/483822531.db2.gz PWJPQXAOEDSQQD-HNNXBMFYSA-N 1 1 362.496 -0.562 50 0 FBAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC000095382189 483822576 /nfs/dbraw/zinc/82/25/76/483822576.db2.gz GHMBHRDJARATCV-UONOGXRCSA-N 1 1 372.429 -0.309 50 0 FBAAMO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC000095382189 483822574 /nfs/dbraw/zinc/82/25/74/483822574.db2.gz GHMBHRDJARATCV-UONOGXRCSA-N 1 1 372.429 -0.309 50 0 FBAAMO COCCCN1CC2(CC1=O)CCN(CC(=O)N1CC[NH2+]CC1)CC2 ZINC000095388393 483822647 /nfs/dbraw/zinc/82/26/47/483822647.db2.gz XBVFEFDTEXQXIX-UHFFFAOYSA-N 1 1 352.479 -0.231 50 0 FBAAMO Cc1nc(C)c(CC(=O)N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)c(=O)[nH]1 ZINC000095388944 209046323 /nfs/dbraw/zinc/04/63/23/209046323.db2.gz ZAEJMGKSHCCPOQ-SFHVURJKSA-N 1 1 361.446 -0.258 50 0 FBAAMO Cc1nc(C)c(CC(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)c(=O)[nH]1 ZINC000095388945 483822564 /nfs/dbraw/zinc/82/25/64/483822564.db2.gz ZAEJMGKSHCCPOQ-GOSISDBHSA-N 1 1 361.446 -0.258 50 0 FBAAMO CN1CCN(C(=O)CN2CCC[N@@H+](C)CC2)C[C@]12CCNC(=O)CC2 ZINC000095389422 209045418 /nfs/dbraw/zinc/04/54/18/209045418.db2.gz RYBAIIGILNUNOR-SFHVURJKSA-N 1 1 351.495 -0.563 50 0 FBAAMO CN1CCN(C(=O)CN2CCC[N@H+](C)CC2)C[C@]12CCNC(=O)CC2 ZINC000095389422 209045416 /nfs/dbraw/zinc/04/54/16/209045416.db2.gz RYBAIIGILNUNOR-SFHVURJKSA-N 1 1 351.495 -0.563 50 0 FBAAMO CNC(=O)c1noc(C[N@H+]2CC[C@@]3(C2)CCCN(CCOC)C3=O)n1 ZINC000095390578 483822797 /nfs/dbraw/zinc/82/27/97/483822797.db2.gz YEWRUPVERPJULW-MRXNPFEDSA-N 1 1 351.407 -0.110 50 0 FBAAMO CNC(=O)c1noc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCOC)C3=O)n1 ZINC000095390578 483822793 /nfs/dbraw/zinc/82/27/93/483822793.db2.gz YEWRUPVERPJULW-MRXNPFEDSA-N 1 1 351.407 -0.110 50 0 FBAAMO CNC(=O)c1noc(C[N@H+]2CC[C@]3(C2)CCCN(CCOC)C3=O)n1 ZINC000095390579 483822548 /nfs/dbraw/zinc/82/25/48/483822548.db2.gz YEWRUPVERPJULW-INIZCTEOSA-N 1 1 351.407 -0.110 50 0 FBAAMO CNC(=O)c1noc(C[N@@H+]2CC[C@]3(C2)CCCN(CCOC)C3=O)n1 ZINC000095390579 483822546 /nfs/dbraw/zinc/82/25/46/483822546.db2.gz YEWRUPVERPJULW-INIZCTEOSA-N 1 1 351.407 -0.110 50 0 FBAAMO CN1CC[C@]2(CN(C(=O)CSc3nc(N)n[nH]3)CC[N@H+]2C)CCC1=O ZINC000095391832 483822638 /nfs/dbraw/zinc/82/26/38/483822638.db2.gz ZNYSBHYHYZGGKP-HNNXBMFYSA-N 1 1 367.479 -0.366 50 0 FBAAMO CN1CC[C@@]2(CN(C(=O)CSc3nc(N)n[nH]3)CC[N@H+]2C)CCC1=O ZINC000095391833 483822737 /nfs/dbraw/zinc/82/27/37/483822737.db2.gz ZNYSBHYHYZGGKP-OAHLLOKOSA-N 1 1 367.479 -0.366 50 0 FBAAMO CCOC(=O)CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000095394855 484850804 /nfs/dbraw/zinc/85/08/04/484850804.db2.gz LZGFSNYLZFDGMU-AWEZNQCLSA-N 1 1 355.435 -0.231 50 0 FBAAMO CCOC(=O)CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000095394856 484851425 /nfs/dbraw/zinc/85/14/25/484851425.db2.gz LZGFSNYLZFDGMU-CQSZACIVSA-N 1 1 355.435 -0.231 50 0 FBAAMO C[NH+]1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000095441679 484852513 /nfs/dbraw/zinc/85/25/13/484852513.db2.gz JOHYQCSUTOCGPR-UHFFFAOYSA-N 1 1 367.475 -0.838 50 0 FBAAMO COC(=O)C1=C(C)O[C@@H](C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000095444043 205754899 /nfs/dbraw/zinc/75/48/99/205754899.db2.gz AESYJZVGGZYROL-OAHLLOKOSA-N 1 1 367.446 -0.301 50 0 FBAAMO COC(=O)C1=C(C)O[C@H](C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000095444044 209050610 /nfs/dbraw/zinc/05/06/10/209050610.db2.gz AESYJZVGGZYROL-HNNXBMFYSA-N 1 1 367.446 -0.301 50 0 FBAAMO CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1=O ZINC000095461428 484852541 /nfs/dbraw/zinc/85/25/41/484852541.db2.gz URBCEVCEMJJKOO-LBPRGKRZSA-N 1 1 370.369 -0.142 50 0 FBAAMO CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000095481031 132211808 /nfs/dbraw/zinc/21/18/08/132211808.db2.gz QETGJPFRLXXLAO-CQSZACIVSA-N 1 1 357.414 -0.018 50 0 FBAAMO CN(C)C(=O)CN1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000095482618 209059475 /nfs/dbraw/zinc/05/94/75/209059475.db2.gz SEFXNGARFLIQLV-UHFFFAOYSA-N 1 1 357.524 -0.711 50 0 FBAAMO CN(CCC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2)S(C)(=O)=O ZINC000095498927 209061463 /nfs/dbraw/zinc/06/14/63/209061463.db2.gz NORRTKBVVLQIOH-INIZCTEOSA-N 1 1 374.507 -0.577 50 0 FBAAMO CN(CCC(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(C)CC2)S(C)(=O)=O ZINC000095498928 483823189 /nfs/dbraw/zinc/82/31/89/483823189.db2.gz NORRTKBVVLQIOH-MRXNPFEDSA-N 1 1 374.507 -0.577 50 0 FBAAMO CCC[N@H+]1C[C@H](NC(=O)c2c[nH]c(=O)[nH]c2=O)C[C@H]1C(=O)N(CC)CC ZINC000095500613 483823277 /nfs/dbraw/zinc/82/32/77/483823277.db2.gz JZNSJYLPXDIMKI-YPMHNXCESA-N 1 1 365.434 -0.486 50 0 FBAAMO CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC000095500710 483822970 /nfs/dbraw/zinc/82/29/70/483822970.db2.gz KLINKTXRRIOYCI-OCCSQVGLSA-N 1 1 361.446 -0.255 50 0 FBAAMO O=C(CN1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1)N1CC[NH2+]CC1 ZINC000095500713 483823080 /nfs/dbraw/zinc/82/30/80/483823080.db2.gz QMRUAZZVMDTTNP-DZGCQCFKSA-N 1 1 363.487 -0.002 50 0 FBAAMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095504086 209063042 /nfs/dbraw/zinc/06/30/42/209063042.db2.gz DCTOSNAMGQNGJG-OAHLLOKOSA-N 1 1 358.398 -0.758 50 0 FBAAMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095504087 483823434 /nfs/dbraw/zinc/82/34/34/483823434.db2.gz DCTOSNAMGQNGJG-HNNXBMFYSA-N 1 1 358.398 -0.758 50 0 FBAAMO CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc3c(O)cccn3c2=O)C[N@H+]1C ZINC000095505239 483823512 /nfs/dbraw/zinc/82/35/12/483823512.db2.gz RENKUOBRWQWPLJ-YPMHNXCESA-N 1 1 373.413 -0.273 50 0 FBAAMO CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc3c(O)cccn3c2=O)C[N@@H+]1C ZINC000095505239 483823509 /nfs/dbraw/zinc/82/35/09/483823509.db2.gz RENKUOBRWQWPLJ-YPMHNXCESA-N 1 1 373.413 -0.273 50 0 FBAAMO O=C(C1CC1)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC000095506358 483823683 /nfs/dbraw/zinc/82/36/83/483823683.db2.gz IJCJTMPAHDOARX-HIFRSBDPSA-N 1 1 373.457 -0.255 50 0 FBAAMO O=C(Nc1cccc(-n2cnnn2)c1)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000095510884 483823642 /nfs/dbraw/zinc/82/36/42/483823642.db2.gz RLVOMCUWVNPUGM-HOTGVXAUSA-N 1 1 373.417 -0.038 50 0 FBAAMO O=C(Nc1cccc(-n2cnnn2)c1)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000095510884 483823641 /nfs/dbraw/zinc/82/36/41/483823641.db2.gz RLVOMCUWVNPUGM-HOTGVXAUSA-N 1 1 373.417 -0.038 50 0 FBAAMO CNC(=O)[C@@H]1C[C@@H](NC(=O)CN2CCOC2=O)C[N@H+]1CCc1ccccc1 ZINC000095512989 209070057 /nfs/dbraw/zinc/07/00/57/209070057.db2.gz XRRPUQWRQOQIEB-CVEARBPZSA-N 1 1 374.441 -0.014 50 0 FBAAMO CNC(=O)[C@@H]1C[C@@H](NC(=O)CN2CCOC2=O)C[N@@H+]1CCc1ccccc1 ZINC000095512989 209070054 /nfs/dbraw/zinc/07/00/54/209070054.db2.gz XRRPUQWRQOQIEB-CVEARBPZSA-N 1 1 374.441 -0.014 50 0 FBAAMO CNC(=O)[C@@H]1C[C@@H](NC(=O)CCn2cnnn2)C[N@H+]1CCc1ccccc1 ZINC000095517292 483823568 /nfs/dbraw/zinc/82/35/68/483823568.db2.gz DBXWTDASOTWAJP-CVEARBPZSA-N 1 1 371.445 -0.389 50 0 FBAAMO CNC(=O)[C@@H]1C[C@@H](NC(=O)CCn2cnnn2)C[N@@H+]1CCc1ccccc1 ZINC000095517292 483823565 /nfs/dbraw/zinc/82/35/65/483823565.db2.gz DBXWTDASOTWAJP-CVEARBPZSA-N 1 1 371.445 -0.389 50 0 FBAAMO O=C(CCn1ccc(=O)[nH]c1=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095518795 483823446 /nfs/dbraw/zinc/82/34/46/483823446.db2.gz WYFAPPRXPVHLDT-MRXNPFEDSA-N 1 1 372.425 -0.368 50 0 FBAAMO O=C(CCn1ccc(=O)[nH]c1=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095518796 483823827 /nfs/dbraw/zinc/82/38/27/483823827.db2.gz WYFAPPRXPVHLDT-INIZCTEOSA-N 1 1 372.425 -0.368 50 0 FBAAMO Cn1c(=O)cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](O)C2)n(C)c1=O ZINC000095518848 483823706 /nfs/dbraw/zinc/82/37/06/483823706.db2.gz FKGITQWUYVEDOF-HNNXBMFYSA-N 1 1 372.425 -0.597 50 0 FBAAMO Cn1c(=O)cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)n(C)c1=O ZINC000095518849 209073140 /nfs/dbraw/zinc/07/31/40/209073140.db2.gz FKGITQWUYVEDOF-OAHLLOKOSA-N 1 1 372.425 -0.597 50 0 FBAAMO C[N@H+]1CCCN(CC(=O)N2CCC(c3nccn3CC(N)=O)CC2)CC1 ZINC000095526755 209076081 /nfs/dbraw/zinc/07/60/81/209076081.db2.gz PQMSOISJCQESKB-UHFFFAOYSA-N 1 1 362.478 -0.288 50 0 FBAAMO Cn1c(=O)cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n(C)c1=O ZINC000095531769 483823678 /nfs/dbraw/zinc/82/36/78/483823678.db2.gz YADRHKLRWBATNF-OAHLLOKOSA-N 1 1 372.425 -0.597 50 0 FBAAMO Cn1c(=O)cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n(C)c1=O ZINC000095531769 483823676 /nfs/dbraw/zinc/82/36/76/483823676.db2.gz YADRHKLRWBATNF-OAHLLOKOSA-N 1 1 372.425 -0.597 50 0 FBAAMO Cn1c(=O)cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n(C)c1=O ZINC000095531770 483823808 /nfs/dbraw/zinc/82/38/08/483823808.db2.gz YADRHKLRWBATNF-HNNXBMFYSA-N 1 1 372.425 -0.597 50 0 FBAAMO Cn1c(=O)cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n(C)c1=O ZINC000095531770 483823806 /nfs/dbraw/zinc/82/38/06/483823806.db2.gz YADRHKLRWBATNF-HNNXBMFYSA-N 1 1 372.425 -0.597 50 0 FBAAMO O=C([O-])[C@]12C[NH+](CCCn3cnnn3)C[C@H]1C[N@H+](C1CCOCC1)C2 ZINC000096130267 222035669 /nfs/dbraw/zinc/03/56/69/222035669.db2.gz NWPPDYRFUWWNRH-BBRMVZONSA-N 1 1 350.423 -0.439 50 0 FBAAMO O=C([O-])[C@]12C[NH+](CCCn3cnnn3)C[C@H]1C[N@@H+](C1CCOCC1)C2 ZINC000096130267 222035665 /nfs/dbraw/zinc/03/56/65/222035665.db2.gz NWPPDYRFUWWNRH-BBRMVZONSA-N 1 1 350.423 -0.439 50 0 FBAAMO O=C([O-])[C@@]12C[NH+](C3CCOCC3)C[C@@H]1C[N@H+](CCCn1cnnn1)C2 ZINC000096130267 222035661 /nfs/dbraw/zinc/03/56/61/222035661.db2.gz NWPPDYRFUWWNRH-BBRMVZONSA-N 1 1 350.423 -0.439 50 0 FBAAMO O=C([O-])[C@@]12C[NH+](CCO)C[C@@H]1C[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000096133551 222039768 /nfs/dbraw/zinc/03/97/68/222039768.db2.gz MRDZYNJIEPILOR-RHSMWYFYSA-N 1 1 358.402 -0.323 50 0 FBAAMO O=C([O-])[C@@]12C[NH+](CCO)C[C@@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000096133551 222039766 /nfs/dbraw/zinc/03/97/66/222039766.db2.gz MRDZYNJIEPILOR-RHSMWYFYSA-N 1 1 358.402 -0.323 50 0 FBAAMO O=C([O-])[C@]12C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]1C[N@H+](CCO)C2 ZINC000096133551 222039762 /nfs/dbraw/zinc/03/97/62/222039762.db2.gz MRDZYNJIEPILOR-RHSMWYFYSA-N 1 1 358.402 -0.323 50 0 FBAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)Cn3ncnn3)CC2)n1C ZINC000096137884 209119502 /nfs/dbraw/zinc/11/95/02/209119502.db2.gz PHMWUXSCLPBANZ-UHFFFAOYSA-N 1 1 370.421 -0.239 50 0 FBAAMO Nc1nc(N2CCOCC2)cc(N2CC[NH+](CCn3cncn3)CC2)n1 ZINC000096151694 132220826 /nfs/dbraw/zinc/22/08/26/132220826.db2.gz NSWDAWGVHQXVST-UHFFFAOYSA-N 1 1 359.438 -0.691 50 0 FBAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C[N@H+]1C1CCOCC1 ZINC000096152128 222054139 /nfs/dbraw/zinc/05/41/39/222054139.db2.gz PEPLLJWBVWDQSD-FZMZJTMJSA-N 1 1 363.418 -0.742 50 0 FBAAMO O=C(NCCN1CCNC1=O)[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000096164043 483825356 /nfs/dbraw/zinc/82/53/56/483825356.db2.gz LHMWNLUMGUAPAE-VQIMIIECSA-N 1 1 357.458 -0.151 50 0 FBAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)C[NH+](C)C)CN1C(=O)C(=O)c1ccccc1 ZINC000096164576 483825285 /nfs/dbraw/zinc/82/52/85/483825285.db2.gz DFLDYBZQDXVYKB-CABCVRRESA-N 1 1 374.441 -0.347 50 0 FBAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-n3cnnc3)nc2)C1 ZINC000097425135 222180507 /nfs/dbraw/zinc/18/05/07/222180507.db2.gz YNJOZIJKFPXHAT-AWEZNQCLSA-N 1 1 357.418 -0.021 50 0 FBAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-n3cnnc3)nc2)C1 ZINC000097425137 483830004 /nfs/dbraw/zinc/83/00/04/483830004.db2.gz YNJOZIJKFPXHAT-CQSZACIVSA-N 1 1 357.418 -0.021 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCS(=O)(=O)CC1 ZINC000097475110 132229343 /nfs/dbraw/zinc/22/93/43/132229343.db2.gz YQXQEWFLMOFAJM-UHFFFAOYSA-N 1 1 353.448 -0.593 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCCS(=O)(=O)N(C)C ZINC000097527363 132229587 /nfs/dbraw/zinc/22/95/87/132229587.db2.gz AMXHBWFGHNKQEA-UHFFFAOYSA-N 1 1 370.479 -0.842 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N(CCO)Cc1nccn1C ZINC000097569041 132229702 /nfs/dbraw/zinc/22/97/02/132229702.db2.gz HBDNWSXZRVXQKW-UHFFFAOYSA-N 1 1 373.461 -0.095 50 0 FBAAMO Cc1cccc2ncc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)c(=O)n12 ZINC000097572194 209187499 /nfs/dbraw/zinc/18/74/99/209187499.db2.gz PFOCXLVQQSBZRP-ZDUSSCGKSA-N 1 1 357.414 -0.070 50 0 FBAAMO Cc1cccc2ncc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)c(=O)n12 ZINC000097572195 222192339 /nfs/dbraw/zinc/19/23/39/222192339.db2.gz PFOCXLVQQSBZRP-CYBMUJFWSA-N 1 1 357.414 -0.070 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC000097660685 132230644 /nfs/dbraw/zinc/23/06/44/132230644.db2.gz HCZLOHFIFVBVTC-LBPRGKRZSA-N 1 1 351.432 -0.423 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC000097660686 132230440 /nfs/dbraw/zinc/23/04/40/132230440.db2.gz HCZLOHFIFVBVTC-GFCCVEGCSA-N 1 1 351.432 -0.423 50 0 FBAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000097773161 222211354 /nfs/dbraw/zinc/21/13/54/222211354.db2.gz CHSVKZSWSBCWGN-HNNXBMFYSA-N 1 1 357.418 -0.352 50 0 FBAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000097773162 483830752 /nfs/dbraw/zinc/83/07/52/483830752.db2.gz CHSVKZSWSBCWGN-OAHLLOKOSA-N 1 1 357.418 -0.352 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCCN(C)S(C)(=O)=O ZINC000097805582 132231160 /nfs/dbraw/zinc/23/11/60/132231160.db2.gz CPCWMEPHQKZLOV-UHFFFAOYSA-N 1 1 370.479 -0.842 50 0 FBAAMO O=C1C[C@@H](N2CCC(C3CC[NH+]([C@@H]4CC(=O)NC4=O)CC3)CC2)C(=O)N1 ZINC000100204072 222238020 /nfs/dbraw/zinc/23/80/20/222238020.db2.gz JNJSUKCVONWQNW-ZIAGYGMSSA-N 1 1 362.430 -0.759 50 0 FBAAMO CN1c2ccccc2[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(C)CC2)C1=O ZINC000101678300 483437218 /nfs/dbraw/zinc/43/72/18/483437218.db2.gz IMXZXBNPQHUOBF-MRXNPFEDSA-N 1 1 373.457 -0.426 50 0 FBAAMO CC(=O)N1CCN(c2c(=O)c(=O)c2NCCCN2CC[NH+](C)CC2)CC1 ZINC000101701464 222282130 /nfs/dbraw/zinc/28/21/30/222282130.db2.gz KNKWTSPSRPAERE-UHFFFAOYSA-N 1 1 363.462 -1.000 50 0 FBAAMO CNS(=O)(=O)c1ccc(C[N@@H+]2C[C@H]3[C@H](C(=O)N(C)CCO)[C@H]3C2)cc1 ZINC000101951874 222287277 /nfs/dbraw/zinc/28/72/77/222287277.db2.gz MVMQLQXAFDDYQW-ZSHCYNCHSA-N 1 1 367.471 -0.277 50 0 FBAAMO CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1=O ZINC000101957249 483440845 /nfs/dbraw/zinc/44/08/45/483440845.db2.gz URBCEVCEMJJKOO-GFCCVEGCSA-N 1 1 370.369 -0.142 50 0 FBAAMO NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000102165532 483833969 /nfs/dbraw/zinc/83/39/69/483833969.db2.gz XZEZHPXGKMQMQD-HNNXBMFYSA-N 1 1 352.460 -0.001 50 0 FBAAMO COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000102862283 222312229 /nfs/dbraw/zinc/31/22/29/222312229.db2.gz MYMANAUDCIRMPE-VIKVFOODSA-N 1 1 373.457 -0.276 50 0 FBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000105351468 206232446 /nfs/dbraw/zinc/23/24/46/206232446.db2.gz ZKORIKIQARBDPT-LBXOLOSGSA-N 1 1 359.382 -0.566 50 0 FBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000105351775 206233175 /nfs/dbraw/zinc/23/31/75/206233175.db2.gz APGQXYKDXFQABD-AJNNRKIQSA-N 1 1 373.409 -0.176 50 0 FBAAMO CS(=O)(=O)N1CCCN(c2nc(N3CCC[C@@H](O)C3)cc[nH+]2)CC1 ZINC000106261528 132240225 /nfs/dbraw/zinc/24/02/25/132240225.db2.gz GODOCUYOSPATQZ-CYBMUJFWSA-N 1 1 355.464 -0.091 50 0 FBAAMO CN1CCC([N@H+]2CCN(c3cc(NCCO)ncn3)C[C@H]2CCO)CC1 ZINC000106980780 536339428 /nfs/dbraw/zinc/33/94/28/536339428.db2.gz LHBVTLBFHHHDRS-MRXNPFEDSA-N 1 1 364.494 -0.152 50 0 FBAAMO CN1CCC([N@@H+]2CCN(c3cc(NCCO)ncn3)C[C@H]2CCO)CC1 ZINC000106980780 536339425 /nfs/dbraw/zinc/33/94/25/536339425.db2.gz LHBVTLBFHHHDRS-MRXNPFEDSA-N 1 1 364.494 -0.152 50 0 FBAAMO C[N@H+]1CCCN(CC(=O)N2CC[C@]3(C2)CCCN(CCO)C3=O)CC1 ZINC000107679158 222399537 /nfs/dbraw/zinc/39/95/37/222399537.db2.gz DQAAFQGMKCXEEZ-SFHVURJKSA-N 1 1 352.479 -0.543 50 0 FBAAMO COCCN1CC[C@@]2(CN(S(=O)(=O)N(C)C)CC[N@H+]2C)CCC1=O ZINC000108034199 206026387 /nfs/dbraw/zinc/02/63/87/206026387.db2.gz PWJPQXAOEDSQQD-OAHLLOKOSA-N 1 1 362.496 -0.562 50 0 FBAAMO COCCN1CC[C@@]2(CN(S(=O)(=O)N(C)C)CC[N@@H+]2C)CCC1=O ZINC000108034199 206026386 /nfs/dbraw/zinc/02/63/86/206026386.db2.gz PWJPQXAOEDSQQD-OAHLLOKOSA-N 1 1 362.496 -0.562 50 0 FBAAMO CN1CCN(C(=O)CN2CCC[N@@H+](C)CC2)C[C@@]12CCNC(=O)CC2 ZINC000108045228 209283119 /nfs/dbraw/zinc/28/31/19/209283119.db2.gz RYBAIIGILNUNOR-GOSISDBHSA-N 1 1 351.495 -0.563 50 0 FBAAMO CN1CCN(C(=O)CN2CCC[N@H+](C)CC2)C[C@@]12CCNC(=O)CC2 ZINC000108045228 209283118 /nfs/dbraw/zinc/28/31/18/209283118.db2.gz RYBAIIGILNUNOR-GOSISDBHSA-N 1 1 351.495 -0.563 50 0 FBAAMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1 ZINC000108394845 483697282 /nfs/dbraw/zinc/69/72/82/483697282.db2.gz SJCNHNGMIXUCCU-UPJWGTAASA-N 1 1 351.407 -0.005 50 0 FBAAMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1 ZINC000108394845 483697278 /nfs/dbraw/zinc/69/72/78/483697278.db2.gz SJCNHNGMIXUCCU-UPJWGTAASA-N 1 1 351.407 -0.005 50 0 FBAAMO CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000110572855 483555019 /nfs/dbraw/zinc/55/50/19/483555019.db2.gz CEIBZWDQSYWKMZ-RRFJBIMHSA-N 1 1 357.476 -0.239 50 0 FBAAMO CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000110572863 483554734 /nfs/dbraw/zinc/55/47/34/483554734.db2.gz CEIBZWDQSYWKMZ-SOUVJXGZSA-N 1 1 357.476 -0.239 50 0 FBAAMO O=C(C[N@@H+]1CCCN(C[C@H](O)CN2CCCC2=O)CC1)N1CCCC1 ZINC000111683402 484642187 /nfs/dbraw/zinc/64/21/87/484642187.db2.gz VSKOGQMPOIQEED-INIZCTEOSA-N 1 1 352.479 -0.400 50 0 FBAAMO O=C(C[N@H+]1CCCN(C[C@H](O)CN2CCCC2=O)CC1)N1CCCC1 ZINC000111683402 484642180 /nfs/dbraw/zinc/64/21/80/484642180.db2.gz VSKOGQMPOIQEED-INIZCTEOSA-N 1 1 352.479 -0.400 50 0 FBAAMO O=C(CN1CCC[N@H+](C[C@H](O)CN2CCCC2=O)CC1)N1CCCC1 ZINC000111683402 484642163 /nfs/dbraw/zinc/64/21/63/484642163.db2.gz VSKOGQMPOIQEED-INIZCTEOSA-N 1 1 352.479 -0.400 50 0 FBAAMO CCn1cc(S(=O)(=O)N2CCC3(C[C@@H]4C(=O)NCC[N@@H+]4C3)CC2)cn1 ZINC000169787742 660108320 /nfs/dbraw/zinc/10/83/20/660108320.db2.gz HPQNKFCMDPSHGH-CQSZACIVSA-N 1 1 367.475 -0.122 50 0 FBAAMO CCn1cc(S(=O)(=O)N2CCC3(C[C@H]4C(=O)NCC[N@@H+]4C3)CC2)cn1 ZINC000169787743 660108373 /nfs/dbraw/zinc/10/83/73/660108373.db2.gz HPQNKFCMDPSHGH-AWEZNQCLSA-N 1 1 367.475 -0.122 50 0 FBAAMO C[C@@H](CO)[N@H+]1CCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000170088382 484375689 /nfs/dbraw/zinc/37/56/89/484375689.db2.gz JINZYWSJGNCORN-AWEZNQCLSA-N 1 1 351.451 -0.314 50 0 FBAAMO C[C@H](CO)[N@H+]1CCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000170088385 484375593 /nfs/dbraw/zinc/37/55/93/484375593.db2.gz JINZYWSJGNCORN-CQSZACIVSA-N 1 1 351.451 -0.314 50 0 FBAAMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1ncn(C)c1=O ZINC000170601429 484482822 /nfs/dbraw/zinc/48/28/22/484482822.db2.gz CVBFCJGBBWGIFU-GOSISDBHSA-N 1 1 359.430 -0.323 50 0 FBAAMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1ncn(C)c1=O ZINC000170601430 484482375 /nfs/dbraw/zinc/48/23/75/484482375.db2.gz CVBFCJGBBWGIFU-SFHVURJKSA-N 1 1 359.430 -0.323 50 0 FBAAMO CC[N@@H+](C)[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000170616430 484545727 /nfs/dbraw/zinc/54/57/27/484545727.db2.gz KDPNDCPTCNWXQQ-SNVBAGLBSA-N 1 1 367.431 -0.664 50 0 FBAAMO CC[N@@H+](C)[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000170616432 484545883 /nfs/dbraw/zinc/54/58/83/484545883.db2.gz KDPNDCPTCNWXQQ-JTQLQIEISA-N 1 1 367.431 -0.664 50 0 FBAAMO O=C(c1cccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1)N1CCNCC1 ZINC000215098909 483846193 /nfs/dbraw/zinc/84/61/93/483846193.db2.gz YJZGCVFYMGRUPX-KBPBESRZSA-N 1 1 370.450 -0.290 50 0 FBAAMO Cc1nc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[NH2+]C3)c2)n[nH]1 ZINC000215487223 483847633 /nfs/dbraw/zinc/84/76/33/483847633.db2.gz RWFBJYVNFARNLZ-GFCCVEGCSA-N 1 1 364.431 -0.317 50 0 FBAAMO Cc1nc(CNS(=O)(=O)c2cccc(C(=O)N[C@H]3CC[NH2+]C3)c2)n[nH]1 ZINC000215487267 206347767 /nfs/dbraw/zinc/34/77/67/206347767.db2.gz RWFBJYVNFARNLZ-LBPRGKRZSA-N 1 1 364.431 -0.317 50 0 FBAAMO Cn1nnc(-c2ccc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000216027079 483851390 /nfs/dbraw/zinc/85/13/90/483851390.db2.gz QYTVMIADKNSBAH-AWEZNQCLSA-N 1 1 357.418 -0.196 50 0 FBAAMO Cn1nnc(-c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000216027132 206353021 /nfs/dbraw/zinc/35/30/21/206353021.db2.gz QYTVMIADKNSBAH-CQSZACIVSA-N 1 1 357.418 -0.196 50 0 FBAAMO CN1CC[N@@H+](C)C[C@@H]1CC(=O)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000216615649 132271576 /nfs/dbraw/zinc/27/15/76/132271576.db2.gz BLKLYGRYAXHOMW-HNNXBMFYSA-N 1 1 374.489 -0.166 50 0 FBAAMO CN1CC[N@H+](C)C[C@@H]1CC(=O)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000216615649 132271575 /nfs/dbraw/zinc/27/15/75/132271575.db2.gz BLKLYGRYAXHOMW-HNNXBMFYSA-N 1 1 374.489 -0.166 50 0 FBAAMO CN1CC[N@@H+](C)[C@@H](CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)C1 ZINC000216615649 132271573 /nfs/dbraw/zinc/27/15/73/132271573.db2.gz BLKLYGRYAXHOMW-HNNXBMFYSA-N 1 1 374.489 -0.166 50 0 FBAAMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000219479035 483866968 /nfs/dbraw/zinc/86/69/68/483866968.db2.gz NQFUCZGVBHLQKS-AWEZNQCLSA-N 1 1 354.374 -0.251 50 0 FBAAMO Cn1nc2cccc(S(=O)(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)c2n1 ZINC000219548443 206386653 /nfs/dbraw/zinc/38/66/53/206386653.db2.gz AJGMQGKMKKWGKX-OCCNTAHWSA-N 1 1 351.432 -0.036 50 0 FBAAMO CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1C ZINC000219560440 483867120 /nfs/dbraw/zinc/86/71/20/483867120.db2.gz DCPDQZATGHTTHW-OKILXGFUSA-N 1 1 350.467 -0.039 50 0 FBAAMO CCC[C@H]1C[N@@H+](CCOC)C[C@@H]1NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000219580151 839763567 /nfs/dbraw/zinc/76/35/67/839763567.db2.gz UHZOFYQOLVSPAE-STQMWFEESA-N 1 1 352.435 -0.439 50 0 FBAAMO COCCN1CC[C@]2(CN(C(=O)c3cn[nH]n3)CC[N@H+]2C)CCC1=O ZINC000219582890 839763680 /nfs/dbraw/zinc/76/36/80/839763680.db2.gz XIBRUKOHHDATOE-INIZCTEOSA-N 1 1 350.423 -0.410 50 0 FBAAMO COCCN1CC[C@]2(CN(C(=O)c3cn[nH]n3)CC[N@@H+]2C)CCC1=O ZINC000219582890 839763676 /nfs/dbraw/zinc/76/36/76/839763676.db2.gz XIBRUKOHHDATOE-INIZCTEOSA-N 1 1 350.423 -0.410 50 0 FBAAMO COCCN1CC[C@@]2(CN(C(=O)c3cn[nH]n3)CC[N@H+]2C)CCC1=O ZINC000219582969 839763717 /nfs/dbraw/zinc/76/37/17/839763717.db2.gz XIBRUKOHHDATOE-MRXNPFEDSA-N 1 1 350.423 -0.410 50 0 FBAAMO COCCN1CC[C@@]2(CN(C(=O)c3cn[nH]n3)CC[N@@H+]2C)CCC1=O ZINC000219582969 839763710 /nfs/dbraw/zinc/76/37/10/839763710.db2.gz XIBRUKOHHDATOE-MRXNPFEDSA-N 1 1 350.423 -0.410 50 0 FBAAMO CS(=O)(=O)N[C@H]1CN(C(=O)CCC[NH+]2CCOCC2)C[C@@H]1C1CC1 ZINC000219586039 839763301 /nfs/dbraw/zinc/76/33/01/839763301.db2.gz AHLORURVZDYFPH-CABCVRRESA-N 1 1 359.492 -0.115 50 0 FBAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000219639006 483867520 /nfs/dbraw/zinc/86/75/20/483867520.db2.gz VUTFLCQVXWTUCA-JSGCOSHPSA-N 1 1 357.432 -0.209 50 0 FBAAMO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000219639006 483867518 /nfs/dbraw/zinc/86/75/18/483867518.db2.gz VUTFLCQVXWTUCA-JSGCOSHPSA-N 1 1 357.432 -0.209 50 0 FBAAMO COCC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC(c2ccncn2)CC1 ZINC000220685590 483872655 /nfs/dbraw/zinc/87/26/55/483872655.db2.gz VZSYWTUPULNPGL-MRXNPFEDSA-N 1 1 361.446 -0.028 50 0 FBAAMO COCC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)N1CCC(c2ccncn2)CC1 ZINC000220685590 483872653 /nfs/dbraw/zinc/87/26/53/483872653.db2.gz VZSYWTUPULNPGL-MRXNPFEDSA-N 1 1 361.446 -0.028 50 0 FBAAMO COCC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)N1CCC(c2ccncn2)CC1 ZINC000220685658 483873028 /nfs/dbraw/zinc/87/30/28/483873028.db2.gz VZSYWTUPULNPGL-INIZCTEOSA-N 1 1 361.446 -0.028 50 0 FBAAMO COCC(=O)N1CC[N@H+](C)C[C@H]1C(=O)N1CCC(c2ccncn2)CC1 ZINC000220685658 483873026 /nfs/dbraw/zinc/87/30/26/483873026.db2.gz VZSYWTUPULNPGL-INIZCTEOSA-N 1 1 361.446 -0.028 50 0 FBAAMO COCC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)N(C)CCc1c(C)n[nH]c1C ZINC000221260020 483877434 /nfs/dbraw/zinc/87/74/34/483877434.db2.gz DJYLWWAJODDCTQ-HNNXBMFYSA-N 1 1 351.451 -0.184 50 0 FBAAMO COCC(=O)N1CC[N@H+](C)C[C@H]1C(=O)N(C)CCc1c(C)n[nH]c1C ZINC000221260020 483877432 /nfs/dbraw/zinc/87/74/32/483877432.db2.gz DJYLWWAJODDCTQ-HNNXBMFYSA-N 1 1 351.451 -0.184 50 0 FBAAMO COCC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)N(C)CCc1c(C)n[nH]c1C ZINC000221260085 483877912 /nfs/dbraw/zinc/87/79/12/483877912.db2.gz DJYLWWAJODDCTQ-OAHLLOKOSA-N 1 1 351.451 -0.184 50 0 FBAAMO COCC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)N(C)CCc1c(C)n[nH]c1C ZINC000221260085 483877910 /nfs/dbraw/zinc/87/79/10/483877910.db2.gz DJYLWWAJODDCTQ-OAHLLOKOSA-N 1 1 351.451 -0.184 50 0 FBAAMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1 ZINC000222306775 483881784 /nfs/dbraw/zinc/88/17/84/483881784.db2.gz SJCNHNGMIXUCCU-XQQFMLRXSA-N 1 1 351.407 -0.005 50 0 FBAAMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1 ZINC000222306775 483881781 /nfs/dbraw/zinc/88/17/81/483881781.db2.gz SJCNHNGMIXUCCU-XQQFMLRXSA-N 1 1 351.407 -0.005 50 0 FBAAMO CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)n1C ZINC000222542795 483882924 /nfs/dbraw/zinc/88/29/24/483882924.db2.gz DCPDQZATGHTTHW-HDJSIYSDSA-N 1 1 350.467 -0.039 50 0 FBAAMO Cc1nnnn1CCC[N@@H+]1CCn2nc([C@@H](O)c3nccn3C)cc2C1 ZINC000223507107 483887284 /nfs/dbraw/zinc/88/72/84/483887284.db2.gz DSSDOXYAYVLTQW-OAHLLOKOSA-N 1 1 357.422 -0.101 50 0 FBAAMO Cc1nnnn1CCC[N@H+]1CCn2nc([C@@H](O)c3nccn3C)cc2C1 ZINC000223507107 483887283 /nfs/dbraw/zinc/88/72/83/483887283.db2.gz DSSDOXYAYVLTQW-OAHLLOKOSA-N 1 1 357.422 -0.101 50 0 FBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000229666412 483902954 /nfs/dbraw/zinc/90/29/54/483902954.db2.gz ZKORIKIQARBDPT-QBMYYVDRSA-N 1 1 359.382 -0.566 50 0 FBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000229893334 483903276 /nfs/dbraw/zinc/90/32/76/483903276.db2.gz APGQXYKDXFQABD-UISQBHBMSA-N 1 1 373.409 -0.176 50 0 FBAAMO Cn1cnc(S(=O)(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c1 ZINC000230185257 483904764 /nfs/dbraw/zinc/90/47/64/483904764.db2.gz QTTIPWIJPIJWLE-OAHLLOKOSA-N 1 1 355.464 -0.263 50 0 FBAAMO Cn1cnc(S(=O)(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c1 ZINC000230185257 483904758 /nfs/dbraw/zinc/90/47/58/483904758.db2.gz QTTIPWIJPIJWLE-OAHLLOKOSA-N 1 1 355.464 -0.263 50 0 FBAAMO Cc1nnnn1CCC[N@@H+]1CCn2nc([C@H](O)c3nccn3C)cc2C1 ZINC000230592872 483908409 /nfs/dbraw/zinc/90/84/09/483908409.db2.gz DSSDOXYAYVLTQW-HNNXBMFYSA-N 1 1 357.422 -0.101 50 0 FBAAMO Cc1nnnn1CCC[N@H+]1CCn2nc([C@H](O)c3nccn3C)cc2C1 ZINC000230592872 483908402 /nfs/dbraw/zinc/90/84/02/483908402.db2.gz DSSDOXYAYVLTQW-HNNXBMFYSA-N 1 1 357.422 -0.101 50 0 FBAAMO C[C@@H]1C[N@H+](CC2CCN(C(=O)CN3CCNCC3=O)CC2)C[C@H](C)O1 ZINC000237602970 209351576 /nfs/dbraw/zinc/35/15/76/209351576.db2.gz YWBOMMBPZCVLCZ-GASCZTMLSA-N 1 1 352.479 -0.234 50 0 FBAAMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CN2CCNCC2=O)CC1 ZINC000237606838 483882420 /nfs/dbraw/zinc/88/24/20/483882420.db2.gz QHEVUUJZJNEVTR-IYBDPMFKSA-N 1 1 351.495 -0.565 50 0 FBAAMO CN(C)S(=O)(=O)NCCNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000242147491 484011899 /nfs/dbraw/zinc/01/18/99/484011899.db2.gz WSEUBBOVPPMIOP-UHFFFAOYSA-N 1 1 369.491 -0.260 50 0 FBAAMO Cn1c(=O)[nH]cc(CCNCc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)c1=O ZINC000243892535 484034671 /nfs/dbraw/zinc/03/46/71/484034671.db2.gz AIJYMYVPDZZYQT-TXEJJXNPSA-N 1 1 359.434 -0.051 50 0 FBAAMO O=C(c1ccc(-n2cnnn2)cc1)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000243914784 484038032 /nfs/dbraw/zinc/03/80/32/484038032.db2.gz BKRINXBXNZBVMT-HOTGVXAUSA-N 1 1 358.402 -0.430 50 0 FBAAMO O=C(c1ccc(-n2cnnn2)cc1)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000243914784 484038027 /nfs/dbraw/zinc/03/80/27/484038027.db2.gz BKRINXBXNZBVMT-HOTGVXAUSA-N 1 1 358.402 -0.430 50 0 FBAAMO CN1CC(=O)N2CC[N@@H+](CCCOc3ccc(C(N)=O)cc3)C[C@H]2C1=O ZINC000243956730 484036468 /nfs/dbraw/zinc/03/64/68/484036468.db2.gz CCWYQMUOOZOANZ-HNNXBMFYSA-N 1 1 360.414 -0.461 50 0 FBAAMO CN1CC(=O)N2CC[N@H+](CCCOc3ccc(C(N)=O)cc3)C[C@H]2C1=O ZINC000243956730 484036461 /nfs/dbraw/zinc/03/64/61/484036461.db2.gz CCWYQMUOOZOANZ-HNNXBMFYSA-N 1 1 360.414 -0.461 50 0 FBAAMO CN1CC(=O)N2CC[N@@H+](CCCOc3ccc(C(N)=O)cc3)C[C@@H]2C1=O ZINC000243956731 484037658 /nfs/dbraw/zinc/03/76/58/484037658.db2.gz CCWYQMUOOZOANZ-OAHLLOKOSA-N 1 1 360.414 -0.461 50 0 FBAAMO CN1CC(=O)N2CC[N@H+](CCCOc3ccc(C(N)=O)cc3)C[C@@H]2C1=O ZINC000243956731 484037647 /nfs/dbraw/zinc/03/76/47/484037647.db2.gz CCWYQMUOOZOANZ-OAHLLOKOSA-N 1 1 360.414 -0.461 50 0 FBAAMO CN(CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O)S(C)(=O)=O ZINC000244701142 484047398 /nfs/dbraw/zinc/04/73/98/484047398.db2.gz KAYYLFYZMZDSMH-HUUCEWRRSA-N 1 1 370.475 -0.586 50 0 FBAAMO CN(CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O)S(C)(=O)=O ZINC000244701142 484047393 /nfs/dbraw/zinc/04/73/93/484047393.db2.gz KAYYLFYZMZDSMH-HUUCEWRRSA-N 1 1 370.475 -0.586 50 0 FBAAMO Cc1nnnn1CCC(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000244741911 484047746 /nfs/dbraw/zinc/04/77/46/484047746.db2.gz NYXNERKOTVKKLM-UHFFFAOYSA-N 1 1 370.479 -0.471 50 0 FBAAMO CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)CN3CCC[N@@H+](C)CC3)C2)n1C ZINC000244764118 484047912 /nfs/dbraw/zinc/04/79/12/484047912.db2.gz PBRSIADLCVWXMF-GASCZTMLSA-N 1 1 363.510 -0.124 50 0 FBAAMO COc1cc(=O)n2c(c1C(=O)NCCSc1cn[nH]n1)CC[NH2+]CC2 ZINC000244764137 484047169 /nfs/dbraw/zinc/04/71/69/484047169.db2.gz PBZCZHPOHOLKQD-UHFFFAOYSA-N 1 1 364.431 -0.357 50 0 FBAAMO CNc1cc([C@H]2C[C@@H](NC(=O)c3c[nH]nc3-n3cnnn3)C2)[nH+]c(N)n1 ZINC000244778749 484047809 /nfs/dbraw/zinc/04/78/09/484047809.db2.gz PVWAKHMQLPBDFN-OCAPTIKFSA-N 1 1 355.366 -0.525 50 0 FBAAMO CS(=O)(=O)N1CCO[C@@H](CNC(=O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000244899718 484048775 /nfs/dbraw/zinc/04/87/75/484048775.db2.gz ZOTZHEYYBUPJRT-INIZCTEOSA-N 1 1 367.471 -0.179 50 0 FBAAMO CS(=O)(=O)N1CCO[C@@H](CNC(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000244899718 484048763 /nfs/dbraw/zinc/04/87/63/484048763.db2.gz ZOTZHEYYBUPJRT-INIZCTEOSA-N 1 1 367.471 -0.179 50 0 FBAAMO CS(=O)(=O)N1CCO[C@H](CNC(=O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000244899719 484050624 /nfs/dbraw/zinc/05/06/24/484050624.db2.gz ZOTZHEYYBUPJRT-MRXNPFEDSA-N 1 1 367.471 -0.179 50 0 FBAAMO CS(=O)(=O)N1CCO[C@H](CNC(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000244899719 484050620 /nfs/dbraw/zinc/05/06/20/484050620.db2.gz ZOTZHEYYBUPJRT-MRXNPFEDSA-N 1 1 367.471 -0.179 50 0 FBAAMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000244899766 536075358 /nfs/dbraw/zinc/07/53/58/536075358.db2.gz ZPSWVPFMYOSEOP-UHFFFAOYSA-N 1 1 355.464 -0.416 50 0 FBAAMO CN1CCN(C(=O)c2ccnc(N3CCN4CC[N@@H+](C)C[C@H]4C3)c2)CC1 ZINC000244899865 523882697 /nfs/dbraw/zinc/88/26/97/523882697.db2.gz ZRTRURGBNVTYTK-KRWDZBQOSA-N 1 1 358.490 -0.095 50 0 FBAAMO O=C(C[N@@H+]1CCCN(C[C@@H](O)CN2CCCC2=O)CC1)N1CCCC1 ZINC000247647688 483900424 /nfs/dbraw/zinc/90/04/24/483900424.db2.gz VSKOGQMPOIQEED-MRXNPFEDSA-N 1 1 352.479 -0.400 50 0 FBAAMO O=C(C[N@H+]1CCCN(C[C@@H](O)CN2CCCC2=O)CC1)N1CCCC1 ZINC000247647688 483900423 /nfs/dbraw/zinc/90/04/23/483900423.db2.gz VSKOGQMPOIQEED-MRXNPFEDSA-N 1 1 352.479 -0.400 50 0 FBAAMO O=C(CN1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)CC1)N1CCCC1 ZINC000247647688 483900418 /nfs/dbraw/zinc/90/04/18/483900418.db2.gz VSKOGQMPOIQEED-MRXNPFEDSA-N 1 1 352.479 -0.400 50 0 FBAAMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H](C)C(=O)NC[C@H]3CCCO3)C2)nn1 ZINC000252512565 484394143 /nfs/dbraw/zinc/39/41/43/484394143.db2.gz SJCNHNGMIXUCCU-JHJVBQTASA-N 1 1 351.407 -0.005 50 0 FBAAMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC[C@H]3CCCO3)C2)nn1 ZINC000252512565 484394134 /nfs/dbraw/zinc/39/41/34/484394134.db2.gz SJCNHNGMIXUCCU-JHJVBQTASA-N 1 1 351.407 -0.005 50 0 FBAAMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC[C@H]3CCCO3)C2)nn1 ZINC000252512566 484393795 /nfs/dbraw/zinc/39/37/95/484393795.db2.gz SJCNHNGMIXUCCU-YNEHKIRRSA-N 1 1 351.407 -0.005 50 0 FBAAMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC[C@H]3CCCO3)C2)nn1 ZINC000252512566 484393788 /nfs/dbraw/zinc/39/37/88/484393788.db2.gz SJCNHNGMIXUCCU-YNEHKIRRSA-N 1 1 351.407 -0.005 50 0 FBAAMO CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000253378523 484237456 /nfs/dbraw/zinc/23/74/56/484237456.db2.gz PSUFPGONSYGMIR-OKILXGFUSA-N 1 1 350.467 -0.210 50 0 FBAAMO COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000253387144 523806955 /nfs/dbraw/zinc/80/69/55/523806955.db2.gz ZKORIKIQARBDPT-FGYJHYEHSA-N 1 1 359.382 -0.566 50 0 FBAAMO COCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000253387145 523807365 /nfs/dbraw/zinc/80/73/65/523807365.db2.gz ZKORIKIQARBDPT-JPLXVROMSA-N 1 1 359.382 -0.566 50 0 FBAAMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000253416028 484489599 /nfs/dbraw/zinc/48/95/99/484489599.db2.gz MPUHSDAEIYRDEG-GFCCVEGCSA-N 1 1 353.448 -0.586 50 0 FBAAMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000253416029 484489636 /nfs/dbraw/zinc/48/96/36/484489636.db2.gz MPUHSDAEIYRDEG-LBPRGKRZSA-N 1 1 353.448 -0.586 50 0 FBAAMO Cn1c(CN2CCN(c3cc(=O)[nH]c(N)n3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000253535036 132293923 /nfs/dbraw/zinc/29/39/23/132293923.db2.gz ARBSNFAQMXRVPQ-PHIMTYICSA-N 1 1 359.438 -0.580 50 0 FBAAMO Cn1c(=O)[nH]cc(CC(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)c1=O ZINC000253536169 484239717 /nfs/dbraw/zinc/23/97/17/484239717.db2.gz AZJVTJGXHIMZHX-HUUCEWRRSA-N 1 1 373.413 -0.825 50 0 FBAAMO Cn1c(=O)[nH]cc(CC(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)c1=O ZINC000253536169 484239713 /nfs/dbraw/zinc/23/97/13/484239713.db2.gz AZJVTJGXHIMZHX-HUUCEWRRSA-N 1 1 373.413 -0.825 50 0 FBAAMO Cc1cc(=O)n(CC[NH+]2CCN(c3ccnc4nncn43)CC2)c(=O)[nH]1 ZINC000253536463 132293840 /nfs/dbraw/zinc/29/38/40/132293840.db2.gz RQYRSTIUIQNWPZ-UHFFFAOYSA-N 1 1 356.390 -0.483 50 0 FBAAMO O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000253536744 484239657 /nfs/dbraw/zinc/23/96/57/484239657.db2.gz MYHNRXLCMNAUCW-HUUCEWRRSA-N 1 1 373.413 -0.514 50 0 FBAAMO O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000253536744 484239653 /nfs/dbraw/zinc/23/96/53/484239653.db2.gz MYHNRXLCMNAUCW-HUUCEWRRSA-N 1 1 373.413 -0.514 50 0 FBAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cc(C)nc2c1c(=O)[nH]c(=O)n2C ZINC000253536755 484239725 /nfs/dbraw/zinc/23/97/25/484239725.db2.gz NGGPPKCDUXKJQJ-RYUDHWBXSA-N 1 1 361.402 -0.209 50 0 FBAAMO CC(=O)N1CC[C@]2(O)CC[N@@H+](CCn3c(=O)cc(C)[nH]c3=O)C[C@@H]2C1 ZINC000253536768 484239572 /nfs/dbraw/zinc/23/95/72/484239572.db2.gz NYKWIHHKIAVTMG-RHSMWYFYSA-N 1 1 350.419 -0.437 50 0 FBAAMO Cc1cc(N2CC[NH+](CCn3c(=O)cc(C)[nH]c3=O)CC2)n2ncnc2n1 ZINC000253537318 132294413 /nfs/dbraw/zinc/29/44/13/132294413.db2.gz MBBGRBSHAVTONK-UHFFFAOYSA-N 1 1 370.417 -0.174 50 0 FBAAMO CCS(=O)(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000257177211 658657435 /nfs/dbraw/zinc/65/74/35/658657435.db2.gz DMBWPKCIQKRFII-AWEZNQCLSA-N 1 1 359.492 -0.019 50 0 FBAAMO CCS(=O)(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000257177212 660108037 /nfs/dbraw/zinc/10/80/37/660108037.db2.gz DMBWPKCIQKRFII-CQSZACIVSA-N 1 1 359.492 -0.019 50 0 FBAAMO COCCNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)C2CCC2)CC1 ZINC000257196659 660109477 /nfs/dbraw/zinc/10/94/77/660109477.db2.gz YPOFEPRFAXMAJB-CVEARBPZSA-N 1 1 353.463 -0.025 50 0 FBAAMO O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCC[NH+]1CCOCC1 ZINC000263587887 210222157 /nfs/dbraw/zinc/22/21/57/210222157.db2.gz MLLNMEPOSDLAJJ-AWEZNQCLSA-N 1 1 364.402 -0.071 50 0 FBAAMO CS(=O)(=O)NCCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266552307 533397697 /nfs/dbraw/zinc/39/76/97/533397697.db2.gz MONCQSJDJLGMTQ-HNNXBMFYSA-N 1 1 355.460 -0.057 50 0 FBAAMO CS(=O)(=O)NCCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266552307 533397692 /nfs/dbraw/zinc/39/76/92/533397692.db2.gz MONCQSJDJLGMTQ-HNNXBMFYSA-N 1 1 355.460 -0.057 50 0 FBAAMO CS(=O)(=O)NCCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266552309 533396791 /nfs/dbraw/zinc/39/67/91/533396791.db2.gz MONCQSJDJLGMTQ-OAHLLOKOSA-N 1 1 355.460 -0.057 50 0 FBAAMO CS(=O)(=O)NCCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266552309 533396784 /nfs/dbraw/zinc/39/67/84/533396784.db2.gz MONCQSJDJLGMTQ-OAHLLOKOSA-N 1 1 355.460 -0.057 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cc(Cl)cn2)[C@H](O)C1 ZINC000299756202 483867589 /nfs/dbraw/zinc/86/75/89/483867589.db2.gz JQQWPTKPWHRBHV-CHWSQXEVSA-N 1 1 357.842 -0.434 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc(Cl)cn2)[C@H](O)C1 ZINC000299756202 483867588 /nfs/dbraw/zinc/86/75/88/483867588.db2.gz JQQWPTKPWHRBHV-CHWSQXEVSA-N 1 1 357.842 -0.434 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000299756326 223081172 /nfs/dbraw/zinc/08/11/72/223081172.db2.gz GUENVWKSUHRESB-ZIAGYGMSSA-N 1 1 363.414 -0.403 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000299756326 223081169 /nfs/dbraw/zinc/08/11/69/223081169.db2.gz GUENVWKSUHRESB-ZIAGYGMSSA-N 1 1 363.414 -0.403 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCCc1nnc(N)s1 ZINC000299758264 132297875 /nfs/dbraw/zinc/29/78/75/132297875.db2.gz NRGHSMWHDDIJIR-UHFFFAOYSA-N 1 1 362.463 -0.057 50 0 FBAAMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c(OC)n1 ZINC000299761210 483867611 /nfs/dbraw/zinc/86/76/11/483867611.db2.gz WYLGFKGTQCEOPW-CHWSQXEVSA-N 1 1 366.418 -0.648 50 0 FBAAMO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c(OC)n1 ZINC000299761210 483867609 /nfs/dbraw/zinc/86/76/09/483867609.db2.gz WYLGFKGTQCEOPW-CHWSQXEVSA-N 1 1 366.418 -0.648 50 0 FBAAMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000299763598 534565174 /nfs/dbraw/zinc/56/51/74/534565174.db2.gz YJGJDZUXYJXTFM-AWEZNQCLSA-N 1 1 372.433 -0.514 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)[C@H](O)C1 ZINC000299763962 223085979 /nfs/dbraw/zinc/08/59/79/223085979.db2.gz ZNQJLOCLSKWSHQ-HUUCEWRRSA-N 1 1 372.429 -0.275 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)[C@H](O)C1 ZINC000299763962 223085974 /nfs/dbraw/zinc/08/59/74/223085974.db2.gz ZNQJLOCLSKWSHQ-HUUCEWRRSA-N 1 1 372.429 -0.275 50 0 FBAAMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)cc1Cl ZINC000299767616 210014340 /nfs/dbraw/zinc/01/43/40/210014340.db2.gz IGLYMMKUWRJQGT-CHWSQXEVSA-N 1 1 357.842 -0.515 50 0 FBAAMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)cc1Cl ZINC000299767616 210014335 /nfs/dbraw/zinc/01/43/35/210014335.db2.gz IGLYMMKUWRJQGT-CHWSQXEVSA-N 1 1 357.842 -0.515 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000299768931 132298767 /nfs/dbraw/zinc/29/87/67/132298767.db2.gz RNTLTXUZAWRVIE-CYBMUJFWSA-N 1 1 360.418 -0.187 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000299768932 132298540 /nfs/dbraw/zinc/29/85/40/132298540.db2.gz RNTLTXUZAWRVIE-ZDUSSCGKSA-N 1 1 360.418 -0.187 50 0 FBAAMO Cc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c(C)c1C ZINC000299769184 534502618 /nfs/dbraw/zinc/50/26/18/534502618.db2.gz LCWDEXPZEQPHIX-ZIAGYGMSSA-N 1 1 364.446 -0.034 50 0 FBAAMO Cc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c(C)c1C ZINC000299769184 534502610 /nfs/dbraw/zinc/50/26/10/534502610.db2.gz LCWDEXPZEQPHIX-ZIAGYGMSSA-N 1 1 364.446 -0.034 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3nccnc32)[C@H](O)C1 ZINC000299771106 483868348 /nfs/dbraw/zinc/86/83/48/483868348.db2.gz ZSWBTSNXEAZGQD-UKRRQHHQSA-N 1 1 357.414 -0.117 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3nccnc32)[C@H](O)C1 ZINC000299771106 483868346 /nfs/dbraw/zinc/86/83/46/483868346.db2.gz ZSWBTSNXEAZGQD-UKRRQHHQSA-N 1 1 357.414 -0.117 50 0 FBAAMO CCc1[nH+]ccn1CC(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 ZINC000299771240 483868447 /nfs/dbraw/zinc/86/84/47/483868447.db2.gz USCGWMAXQJZERL-UHFFFAOYSA-N 1 1 366.447 -0.266 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@H](O)C1 ZINC000299773513 483868486 /nfs/dbraw/zinc/86/84/86/483868486.db2.gz DNVCJZDRUKSJOW-GDBMZVCRSA-N 1 1 372.429 -0.480 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@H](O)C1 ZINC000299773513 483868485 /nfs/dbraw/zinc/86/84/85/483868485.db2.gz DNVCJZDRUKSJOW-GDBMZVCRSA-N 1 1 372.429 -0.480 50 0 FBAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC000299774653 534359118 /nfs/dbraw/zinc/35/91/18/534359118.db2.gz HRDMTIFJGSKJQH-HZPDHXFCSA-N 1 1 352.435 -0.325 50 0 FBAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC000299774653 534359112 /nfs/dbraw/zinc/35/91/12/534359112.db2.gz HRDMTIFJGSKJQH-HZPDHXFCSA-N 1 1 352.435 -0.325 50 0 FBAAMO Cc1cc(N)n(CC(=O)NC2CC[NH+](C3CCS(=O)(=O)CC3)CC2)n1 ZINC000299774702 223090636 /nfs/dbraw/zinc/09/06/36/223090636.db2.gz FWAJIINAWOMYTC-UHFFFAOYSA-N 1 1 369.491 -0.068 50 0 FBAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000299778671 210023458 /nfs/dbraw/zinc/02/34/58/210023458.db2.gz PVLLEYUMPLYGGZ-GFCCVEGCSA-N 1 1 368.459 -0.560 50 0 FBAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000299778671 210023462 /nfs/dbraw/zinc/02/34/62/210023462.db2.gz PVLLEYUMPLYGGZ-GFCCVEGCSA-N 1 1 368.459 -0.560 50 0 FBAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1)C2 ZINC000299778688 483868358 /nfs/dbraw/zinc/86/83/58/483868358.db2.gz PVLLEYUMPLYGGZ-LBPRGKRZSA-N 1 1 368.459 -0.560 50 0 FBAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1)C2 ZINC000299778688 483868356 /nfs/dbraw/zinc/86/83/56/483868356.db2.gz PVLLEYUMPLYGGZ-LBPRGKRZSA-N 1 1 368.459 -0.560 50 0 FBAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)N(C)C)[C@H](O)C1 ZINC000299779844 534357065 /nfs/dbraw/zinc/35/70/65/534357065.db2.gz GXNYHKAOEGFJRC-ZIAGYGMSSA-N 1 1 353.423 -0.386 50 0 FBAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CNC(=O)N(C)C)[C@H](O)C1 ZINC000299779844 534357050 /nfs/dbraw/zinc/35/70/50/534357050.db2.gz GXNYHKAOEGFJRC-ZIAGYGMSSA-N 1 1 353.423 -0.386 50 0 FBAAMO C[N@H+]1CCCN(CC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)CC1 ZINC000299780087 659928313 /nfs/dbraw/zinc/92/83/13/659928313.db2.gz SWOYVCSPUYNXMI-HZPDHXFCSA-N 1 1 367.519 -0.168 50 0 FBAAMO CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCCO)cc2)C[C@H]1O ZINC000299782057 483868245 /nfs/dbraw/zinc/86/82/45/483868245.db2.gz PECDMTFBYXBCHA-HZPDHXFCSA-N 1 1 373.475 -0.611 50 0 FBAAMO CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCCO)cc2)C[C@H]1O ZINC000299782057 483868242 /nfs/dbraw/zinc/86/82/42/483868242.db2.gz PECDMTFBYXBCHA-HZPDHXFCSA-N 1 1 373.475 -0.611 50 0 FBAAMO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1 ZINC000299782927 483868194 /nfs/dbraw/zinc/86/81/94/483868194.db2.gz WSJZCBKANRBLHU-HZPDHXFCSA-N 1 1 370.475 -0.024 50 0 FBAAMO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1 ZINC000299782927 483868191 /nfs/dbraw/zinc/86/81/91/483868191.db2.gz WSJZCBKANRBLHU-HZPDHXFCSA-N 1 1 370.475 -0.024 50 0 FBAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CN1CCN(c2ncccn2)CC1 ZINC000299783210 132299615 /nfs/dbraw/zinc/29/96/15/132299615.db2.gz ZGERBEDHIQHFQJ-HOTGVXAUSA-N 1 1 362.478 -0.178 50 0 FBAAMO CS(=O)(=O)N1CCn2nc(CNC(=O)C[N@H+]3C[C@@H]4CC[C@H]3C4)cc2C1 ZINC000299784923 533396263 /nfs/dbraw/zinc/39/62/63/533396263.db2.gz IJNHJZDOJCNWDF-OCCSQVGLSA-N 1 1 367.475 -0.241 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)COc2ccc(F)cc2)[C@H](O)C1 ZINC000299790960 483868524 /nfs/dbraw/zinc/86/85/24/483868524.db2.gz CFPLDOKLNWVFBH-HUUCEWRRSA-N 1 1 353.394 -0.156 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(F)cc2)[C@H](O)C1 ZINC000299790960 483868523 /nfs/dbraw/zinc/86/85/23/483868523.db2.gz CFPLDOKLNWVFBH-HUUCEWRRSA-N 1 1 353.394 -0.156 50 0 FBAAMO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c(OC)c1 ZINC000299792059 210034288 /nfs/dbraw/zinc/03/42/88/210034288.db2.gz CYXVJUUFZKDHPF-HUUCEWRRSA-N 1 1 365.430 -0.043 50 0 FBAAMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c(OC)c1 ZINC000299792059 210034290 /nfs/dbraw/zinc/03/42/90/210034290.db2.gz CYXVJUUFZKDHPF-HUUCEWRRSA-N 1 1 365.430 -0.043 50 0 FBAAMO Cc1cccc2nc(C(=O)N[C@@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]3O)cn21 ZINC000299792483 483868119 /nfs/dbraw/zinc/86/81/19/483868119.db2.gz GROGHASUCNIJPO-UKRRQHHQSA-N 1 1 359.430 -0.104 50 0 FBAAMO Cc1cccc2nc(C(=O)N[C@@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]3O)cn21 ZINC000299792483 483868118 /nfs/dbraw/zinc/86/81/18/483868118.db2.gz GROGHASUCNIJPO-UKRRQHHQSA-N 1 1 359.430 -0.104 50 0 FBAAMO COc1ccccc1OCC[N@H+]1CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C1 ZINC000299792863 210034255 /nfs/dbraw/zinc/03/42/55/210034255.db2.gz HHWFTYWLYVPRNT-ZIAGYGMSSA-N 1 1 373.475 -0.095 50 0 FBAAMO COc1ccccc1OCC[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C1 ZINC000299792863 210034250 /nfs/dbraw/zinc/03/42/50/210034250.db2.gz HHWFTYWLYVPRNT-ZIAGYGMSSA-N 1 1 373.475 -0.095 50 0 FBAAMO Cc1nn(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c(C)c1C ZINC000299792868 483868114 /nfs/dbraw/zinc/86/81/14/483868114.db2.gz GURMWIQWBOJXBH-HZPDHXFCSA-N 1 1 365.478 -0.162 50 0 FBAAMO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c(C)c1C ZINC000299792868 483868112 /nfs/dbraw/zinc/86/81/12/483868112.db2.gz GURMWIQWBOJXBH-HZPDHXFCSA-N 1 1 365.478 -0.162 50 0 FBAAMO Cn1c(=O)cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)n(C)c1=O ZINC000299795434 223100318 /nfs/dbraw/zinc/10/03/18/223100318.db2.gz MTZTYYFTAOXRPE-AWEZNQCLSA-N 1 1 357.414 -0.127 50 0 FBAAMO Cn1c(=O)cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)n(C)c1=O ZINC000299795434 223100315 /nfs/dbraw/zinc/10/03/15/223100315.db2.gz MTZTYYFTAOXRPE-AWEZNQCLSA-N 1 1 357.414 -0.127 50 0 FBAAMO Cn1c(=O)cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n(C)c1=O ZINC000299795452 210035493 /nfs/dbraw/zinc/03/54/93/210035493.db2.gz MTZTYYFTAOXRPE-CQSZACIVSA-N 1 1 357.414 -0.127 50 0 FBAAMO Cn1c(=O)cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n(C)c1=O ZINC000299795452 210035487 /nfs/dbraw/zinc/03/54/87/210035487.db2.gz MTZTYYFTAOXRPE-CQSZACIVSA-N 1 1 357.414 -0.127 50 0 FBAAMO COc1cccc(OCC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC000299795699 483868314 /nfs/dbraw/zinc/86/83/14/483868314.db2.gz LUDVUKBNMWXOLT-HZPDHXFCSA-N 1 1 365.430 -0.286 50 0 FBAAMO COc1cccc(OCC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC000299795699 483868312 /nfs/dbraw/zinc/86/83/12/483868312.db2.gz LUDVUKBNMWXOLT-HZPDHXFCSA-N 1 1 365.430 -0.286 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@H](O)C1 ZINC000299796841 483868474 /nfs/dbraw/zinc/86/84/74/483868474.db2.gz NPWCYXZUVFEJMK-HUUCEWRRSA-N 1 1 362.430 -0.944 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@H](O)C1 ZINC000299796841 483868473 /nfs/dbraw/zinc/86/84/73/483868473.db2.gz NPWCYXZUVFEJMK-HUUCEWRRSA-N 1 1 362.430 -0.944 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000299796957 132300669 /nfs/dbraw/zinc/30/06/69/132300669.db2.gz RLEWCIZMYPGSDY-GFCCVEGCSA-N 1 1 353.448 -0.546 50 0 FBAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000299796965 132300736 /nfs/dbraw/zinc/30/07/36/132300736.db2.gz RLEWCIZMYPGSDY-LBPRGKRZSA-N 1 1 353.448 -0.546 50 0 FBAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CCCn2cnnn2)[C@H](O)C1 ZINC000299798663 534359211 /nfs/dbraw/zinc/35/92/11/534359211.db2.gz UDTFPJLGAVMZKM-HUUCEWRRSA-N 1 1 363.422 -0.190 50 0 FBAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CCCn2cnnn2)[C@H](O)C1 ZINC000299798663 534359206 /nfs/dbraw/zinc/35/92/06/534359206.db2.gz UDTFPJLGAVMZKM-HUUCEWRRSA-N 1 1 363.422 -0.190 50 0 FBAAMO CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000299799951 210040919 /nfs/dbraw/zinc/04/09/19/210040919.db2.gz WWDSORPRVHCJFN-ZIAGYGMSSA-N 1 1 350.419 -0.267 50 0 FBAAMO CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000299799951 210040914 /nfs/dbraw/zinc/04/09/14/210040914.db2.gz WWDSORPRVHCJFN-ZIAGYGMSSA-N 1 1 350.419 -0.267 50 0 FBAAMO COc1cccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1O ZINC000299801737 210040344 /nfs/dbraw/zinc/04/03/44/210040344.db2.gz XHVRKABWDYFUFB-CHWSQXEVSA-N 1 1 351.403 -0.346 50 0 FBAAMO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1O ZINC000299801737 210040348 /nfs/dbraw/zinc/04/03/48/210040348.db2.gz XHVRKABWDYFUFB-CHWSQXEVSA-N 1 1 351.403 -0.346 50 0 FBAAMO Cc1n[nH]c(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1C ZINC000299801879 658713904 /nfs/dbraw/zinc/71/39/04/658713904.db2.gz YGWXJJXFVDKABU-HUUCEWRRSA-N 1 1 351.451 -0.401 50 0 FBAAMO Cc1n[nH]c(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1C ZINC000299801879 658713899 /nfs/dbraw/zinc/71/38/99/658713899.db2.gz YGWXJJXFVDKABU-HUUCEWRRSA-N 1 1 351.451 -0.401 50 0 FBAAMO Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@@H]1COCC[N@@H+](C)C1 ZINC000299802677 132300807 /nfs/dbraw/zinc/30/08/07/132300807.db2.gz VQCMCMITQHGUON-HNNXBMFYSA-N 1 1 362.478 -0.155 50 0 FBAAMO Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@H]1COCC[N@@H+](C)C1 ZINC000299802679 132301199 /nfs/dbraw/zinc/30/11/99/132301199.db2.gz VQCMCMITQHGUON-OAHLLOKOSA-N 1 1 362.478 -0.155 50 0 FBAAMO Cc1noc(C)c1CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000299802901 210043191 /nfs/dbraw/zinc/04/31/91/210043191.db2.gz XWRVNDXVGGLSCE-HUUCEWRRSA-N 1 1 352.435 -0.136 50 0 FBAAMO Cc1noc(C)c1CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000299802901 210043188 /nfs/dbraw/zinc/04/31/88/210043188.db2.gz XWRVNDXVGGLSCE-HUUCEWRRSA-N 1 1 352.435 -0.136 50 0 FBAAMO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)O1 ZINC000332321256 484398982 /nfs/dbraw/zinc/39/89/82/484398982.db2.gz MEESIPNFJQUXMY-CHWSQXEVSA-N 1 1 352.439 -0.079 50 0 FBAAMO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)O1 ZINC000332321260 484398407 /nfs/dbraw/zinc/39/84/07/484398407.db2.gz MEESIPNFJQUXMY-OLZOCXBDSA-N 1 1 352.439 -0.079 50 0 FBAAMO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)O1 ZINC000332321264 484399050 /nfs/dbraw/zinc/39/90/50/484399050.db2.gz MEESIPNFJQUXMY-QWHCGFSZSA-N 1 1 352.439 -0.079 50 0 FBAAMO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)O1 ZINC000332321266 484399167 /nfs/dbraw/zinc/39/91/67/484399167.db2.gz MEESIPNFJQUXMY-STQMWFEESA-N 1 1 352.439 -0.079 50 0 FBAAMO CS(=O)(=O)N1CCC(C(=O)NCc2cn(-c3cc[nH+]cc3)nn2)CC1 ZINC000390831486 483867458 /nfs/dbraw/zinc/86/74/58/483867458.db2.gz SDAMKQQRZKWQHM-UHFFFAOYSA-N 1 1 364.431 -0.050 50 0 FBAAMO O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCC[NH+]1CCOCC1 ZINC000409413464 263557724 /nfs/dbraw/zinc/55/77/24/263557724.db2.gz MLLNMEPOSDLAJJ-CQSZACIVSA-N 1 1 364.402 -0.071 50 0 FBAAMO CC(C)c1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n(C)n1 ZINC000426369118 485336768 /nfs/dbraw/zinc/33/67/68/485336768.db2.gz FNUYNSIODIGYRB-IUODEOHRSA-N 1 1 351.451 -0.203 50 0 FBAAMO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n(C)n1 ZINC000426369118 485336765 /nfs/dbraw/zinc/33/67/65/485336765.db2.gz FNUYNSIODIGYRB-IUODEOHRSA-N 1 1 351.451 -0.203 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cnnc3)c2)[C@H](O)C1 ZINC000426389713 485337238 /nfs/dbraw/zinc/33/72/38/485337238.db2.gz PUFBOUMRCYUGBX-HZPDHXFCSA-N 1 1 372.429 -0.480 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cnnc3)c2)[C@H](O)C1 ZINC000426389713 485337235 /nfs/dbraw/zinc/33/72/35/485337235.db2.gz PUFBOUMRCYUGBX-HZPDHXFCSA-N 1 1 372.429 -0.480 50 0 FBAAMO C[N@@H+](CCNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)CCc1ccccc1 ZINC000426394618 485337048 /nfs/dbraw/zinc/33/70/48/485337048.db2.gz PDUHMVONVIZLHQ-HNNXBMFYSA-N 1 1 371.441 -0.108 50 0 FBAAMO C[N@@H+](CCNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O)CCc1ccccc1 ZINC000426394619 485337059 /nfs/dbraw/zinc/33/70/59/485337059.db2.gz PDUHMVONVIZLHQ-OAHLLOKOSA-N 1 1 371.441 -0.108 50 0 FBAAMO CCC(=O)NCc1cc2n(n1)CCN(C(=O)CN1CCC[N@@H+](C)CC1)C2 ZINC000426401828 485336954 /nfs/dbraw/zinc/33/69/54/485336954.db2.gz KPEYWBHMUSLWRO-UHFFFAOYSA-N 1 1 362.478 -0.111 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)COc2cccc(F)c2)[C@H](O)C1 ZINC000426401854 485337188 /nfs/dbraw/zinc/33/71/88/485337188.db2.gz LJLSHWWLVHENDO-HUUCEWRRSA-N 1 1 353.394 -0.156 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)COc2cccc(F)c2)[C@H](O)C1 ZINC000426401854 485337184 /nfs/dbraw/zinc/33/71/84/485337184.db2.gz LJLSHWWLVHENDO-HUUCEWRRSA-N 1 1 353.394 -0.156 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CSc2ccccn2)[C@H](O)C1 ZINC000426409322 485338062 /nfs/dbraw/zinc/33/80/62/485338062.db2.gz MOMFPMJGRQMZJN-CHWSQXEVSA-N 1 1 352.460 -0.187 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CSc2ccccn2)[C@H](O)C1 ZINC000426409322 485338057 /nfs/dbraw/zinc/33/80/57/485338057.db2.gz MOMFPMJGRQMZJN-CHWSQXEVSA-N 1 1 352.460 -0.187 50 0 FBAAMO CC(=O)N1CCC(CNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426420099 263585045 /nfs/dbraw/zinc/58/50/45/263585045.db2.gz YWTFAIAYIGDNDB-HNNXBMFYSA-N 1 1 363.462 -0.101 50 0 FBAAMO CC(=O)N1CCC(CNc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426420104 485338041 /nfs/dbraw/zinc/33/80/41/485338041.db2.gz YWTFAIAYIGDNDB-OAHLLOKOSA-N 1 1 363.462 -0.101 50 0 FBAAMO Cc1ccc2nc(C(=O)N[C@@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]3O)cn2c1 ZINC000426422836 485337799 /nfs/dbraw/zinc/33/77/99/485337799.db2.gz IILHMXQTTOTQNJ-UKRRQHHQSA-N 1 1 359.430 -0.104 50 0 FBAAMO Cc1ccc2nc(C(=O)N[C@@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]3O)cn2c1 ZINC000426422836 485337796 /nfs/dbraw/zinc/33/77/96/485337796.db2.gz IILHMXQTTOTQNJ-UKRRQHHQSA-N 1 1 359.430 -0.104 50 0 FBAAMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)cc1OC ZINC000426425187 485338142 /nfs/dbraw/zinc/33/81/42/485338142.db2.gz HKRKUHMPYYOIQD-ZIAGYGMSSA-N 1 1 365.430 -0.043 50 0 FBAAMO COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)cc1OC ZINC000426425187 485338138 /nfs/dbraw/zinc/33/81/38/485338138.db2.gz HKRKUHMPYYOIQD-ZIAGYGMSSA-N 1 1 365.430 -0.043 50 0 FBAAMO CCCn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1C ZINC000426428092 485338169 /nfs/dbraw/zinc/33/81/69/485338169.db2.gz PRGTVLUBIQUNOL-HUUCEWRRSA-N 1 1 351.451 -0.145 50 0 FBAAMO CCCn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1C ZINC000426428092 485338165 /nfs/dbraw/zinc/33/81/65/485338165.db2.gz PRGTVLUBIQUNOL-HUUCEWRRSA-N 1 1 351.451 -0.145 50 0 FBAAMO O=C(NCCC[N@@H+]1CCCC[C@H]1CO)N1CCN(c2nc[nH]n2)CC1 ZINC000426473069 485338078 /nfs/dbraw/zinc/33/80/78/485338078.db2.gz ZYGLALQSRBSABB-AWEZNQCLSA-N 1 1 351.455 -0.127 50 0 FBAAMO O=C(NCCC[N@@H+]1CCCC[C@@H]1CO)N1CCN(c2nc[nH]n2)CC1 ZINC000426473073 485337758 /nfs/dbraw/zinc/33/77/58/485337758.db2.gz ZYGLALQSRBSABB-CQSZACIVSA-N 1 1 351.455 -0.127 50 0 FBAAMO CNC(=O)CN(C)C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426477906 485338021 /nfs/dbraw/zinc/33/80/21/485338021.db2.gz LAPIXDOCBUKXLS-RVSXGSNBSA-N 1 1 371.485 -0.059 50 0 FBAAMO CNC(=O)CN(C)C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426477908 485337840 /nfs/dbraw/zinc/33/78/40/485337840.db2.gz LAPIXDOCBUKXLS-VDUSKEEQSA-N 1 1 371.485 -0.059 50 0 FBAAMO OCCNc1nc(N2CCN(c3ncccn3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426478056 484404868 /nfs/dbraw/zinc/40/48/68/484404868.db2.gz RYPZFGBBRKHEOG-AWEZNQCLSA-N 1 1 371.445 0.501 50 0 FBAAMO OCCNc1nc(N2CCN(c3ncccn3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426478057 484404199 /nfs/dbraw/zinc/40/41/99/484404199.db2.gz RYPZFGBBRKHEOG-CQSZACIVSA-N 1 1 371.445 0.501 50 0 FBAAMO CC(=O)NCCNC(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426479015 485338289 /nfs/dbraw/zinc/33/82/89/485338289.db2.gz RISFDWCIYUGNQE-IPCDKGFNSA-N 1 1 371.485 -0.011 50 0 FBAAMO CC(=O)NCCNC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426479020 263600052 /nfs/dbraw/zinc/60/00/52/263600052.db2.gz RISFDWCIYUGNQE-KGXSXCIVSA-N 1 1 371.485 -0.011 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3nccnc3c2)[C@H](O)C1 ZINC000426502854 485339191 /nfs/dbraw/zinc/33/91/91/485339191.db2.gz GXPULRCKDCMUGP-GDBMZVCRSA-N 1 1 357.414 -0.117 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3nccnc3c2)[C@H](O)C1 ZINC000426502854 485339189 /nfs/dbraw/zinc/33/91/89/485339189.db2.gz GXPULRCKDCMUGP-GDBMZVCRSA-N 1 1 357.414 -0.117 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CN2Cc3ccccc3C2)[C@H](O)C1 ZINC000426503574 483961442 /nfs/dbraw/zinc/96/14/42/483961442.db2.gz ORMLRBZQJJQCRU-IAGOWNOFSA-N 1 1 360.458 -0.358 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2Cc3ccccc3C2)[C@H](O)C1 ZINC000426503574 483961436 /nfs/dbraw/zinc/96/14/36/483961436.db2.gz ORMLRBZQJJQCRU-IAGOWNOFSA-N 1 1 360.458 -0.358 50 0 FBAAMO COCC[NH+]1CCN(c2cc([C@H]3CCOC3)nc(NCCO)n2)CC1 ZINC000426522832 484323671 /nfs/dbraw/zinc/32/36/71/484323671.db2.gz BNLFUDXMDGNBPU-AWEZNQCLSA-N 1 1 351.451 0.153 50 0 FBAAMO COCC[NH+]1CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1 ZINC000426522833 484324748 /nfs/dbraw/zinc/32/47/48/484324748.db2.gz BNLFUDXMDGNBPU-CQSZACIVSA-N 1 1 351.451 0.153 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncc3ccccc32)[C@H](O)C1 ZINC000426531526 485338660 /nfs/dbraw/zinc/33/86/60/485338660.db2.gz CRSREZBCABYRLU-GDBMZVCRSA-N 1 1 359.430 -0.324 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncc3ccccc32)[C@H](O)C1 ZINC000426531526 485338655 /nfs/dbraw/zinc/33/86/55/485338655.db2.gz CRSREZBCABYRLU-GDBMZVCRSA-N 1 1 359.430 -0.324 50 0 FBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccc3n2)[C@H](O)C1 ZINC000426544680 485339156 /nfs/dbraw/zinc/33/91/56/485339156.db2.gz HBLUMBBTNYIPON-HUUCEWRRSA-N 1 1 360.418 -0.929 50 0 FBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc3ccccc3n2)[C@H](O)C1 ZINC000426544680 485339154 /nfs/dbraw/zinc/33/91/54/485339154.db2.gz HBLUMBBTNYIPON-HUUCEWRRSA-N 1 1 360.418 -0.929 50 0 FBAAMO COc1ccccc1OCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426634359 483943876 /nfs/dbraw/zinc/94/38/76/483943876.db2.gz WWUKWPQZNJENEL-ZIAGYGMSSA-N 1 1 365.430 -0.286 50 0 FBAAMO COc1ccccc1OCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426634359 483943867 /nfs/dbraw/zinc/94/38/67/483943867.db2.gz WWUKWPQZNJENEL-ZIAGYGMSSA-N 1 1 365.430 -0.286 50 0 FBAAMO COCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ncc[nH]c3=O)CC2)C1 ZINC000426707606 485340197 /nfs/dbraw/zinc/34/01/97/485340197.db2.gz ZZPAGJGYPPLEHG-AWEZNQCLSA-N 1 1 364.450 -0.430 50 0 FBAAMO COCC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ncc[nH]c3=O)CC2)C1 ZINC000426707609 485339867 /nfs/dbraw/zinc/33/98/67/485339867.db2.gz ZZPAGJGYPPLEHG-CQSZACIVSA-N 1 1 364.450 -0.430 50 0 FBAAMO CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccc3nonc32)C[C@H]1O ZINC000426739771 485340036 /nfs/dbraw/zinc/34/00/36/485340036.db2.gz MWHVWYAKISKANE-DGCLKSJQSA-N 1 1 355.420 -0.446 50 0 FBAAMO CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccc3nonc32)C[C@H]1O ZINC000426739771 485340032 /nfs/dbraw/zinc/34/00/32/485340032.db2.gz MWHVWYAKISKANE-DGCLKSJQSA-N 1 1 355.420 -0.446 50 0 FBAAMO CN1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1=O ZINC000528006686 485156481 /nfs/dbraw/zinc/15/64/81/485156481.db2.gz FPCFYHSVDRJDOL-AWEZNQCLSA-N 1 1 354.451 -0.212 50 0 FBAAMO CN1CCC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1=O ZINC000528006687 485155933 /nfs/dbraw/zinc/15/59/33/485155933.db2.gz FPCFYHSVDRJDOL-CQSZACIVSA-N 1 1 354.451 -0.212 50 0 FBAAMO Cc1cnn(CCCNC(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000534593352 483871661 /nfs/dbraw/zinc/87/16/61/483871661.db2.gz DAMBFWKNIFNGOA-HOTGVXAUSA-N 1 1 350.467 -0.416 50 0 FBAAMO Cc1[nH+]ccn1CC1(CNC(=O)N(C)[C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000534642774 483872424 /nfs/dbraw/zinc/87/24/24/483872424.db2.gz OBYGUHBYOYDNBL-CHWSQXEVSA-N 1 1 356.448 -0.229 50 0 FBAAMO NC(=O)c1csc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000670443349 484985989 /nfs/dbraw/zinc/98/59/89/484985989.db2.gz ARNSWBDZPNXFDC-JTQLQIEISA-N 1 1 374.488 -0.287 50 0 FBAAMO NC(=O)c1csc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000670443350 484985662 /nfs/dbraw/zinc/98/56/62/484985662.db2.gz ARNSWBDZPNXFDC-SNVBAGLBSA-N 1 1 374.488 -0.287 50 0 FBAAMO CC(C)c1[nH+]ccn1CCCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000670456257 485000361 /nfs/dbraw/zinc/00/03/61/485000361.db2.gz XTJVKIIIBLSGMC-UHFFFAOYSA-N 1 1 369.447 -0.228 50 0 FBAAMO O=C(Cn1cnnn1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670462750 485008523 /nfs/dbraw/zinc/00/85/23/485008523.db2.gz FUQCPFOXKZRFBQ-GMXGEUMGSA-N 1 1 353.430 -0.643 50 0 FBAAMO O=C(Cn1cnnn1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670462751 485008079 /nfs/dbraw/zinc/00/80/79/485008079.db2.gz FUQCPFOXKZRFBQ-ZCDVPAHGSA-N 1 1 353.430 -0.643 50 0 FBAAMO CNC(=O)[C@]12CCS(=O)(=O)N(C)[C@@H]1CC[N@@H+](Cc1cn(C)nc1C)C2 ZINC000675010243 836079610 /nfs/dbraw/zinc/07/96/10/836079610.db2.gz HJLWLBRHULEOTR-ZBFHGGJFSA-N 1 1 369.491 -0.299 50 0 FBAAMO CCn1cc(C[N@H+]2CC[C@H]3N(C)S(=O)(=O)CC[C@]3(C(=O)NC)C2)cn1 ZINC000675011249 836079820 /nfs/dbraw/zinc/07/98/20/836079820.db2.gz RGMLSLQENDQTOH-ZBFHGGJFSA-N 1 1 369.491 -0.125 50 0 FBAAMO CS(=O)(=O)N1CCN(C(=O)[C@@H]2Cc3nc[nH]c3C3(CCCC3)[NH2+]2)CC1 ZINC000675013463 836080100 /nfs/dbraw/zinc/08/01/00/836080100.db2.gz FKWNDSJEUVFJRC-ZDUSSCGKSA-N 1 1 367.475 -0.203 50 0 FBAAMO C[C@H]1CN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)CCN1S(C)(=O)=O ZINC000685942823 571103310 /nfs/dbraw/zinc/10/33/10/571103310.db2.gz QWCPQPNYDSNNSG-NSHDSACASA-N 1 1 355.464 -0.017 50 0 FBAAMO CC[N@H+]1CCC[C@H](CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000823109873 839143187 /nfs/dbraw/zinc/14/31/87/839143187.db2.gz GSVDTYUTQRXNCW-INIZCTEOSA-N 1 1 360.524 -0.087 50 0 FBAAMO CC[N@H+]1CCC[C@@H](CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000823109878 839143243 /nfs/dbraw/zinc/14/32/43/839143243.db2.gz GSVDTYUTQRXNCW-MRXNPFEDSA-N 1 1 360.524 -0.087 50 0 FBAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)N1CCN(CCn2cncn2)CC1 ZINC000823350087 839143943 /nfs/dbraw/zinc/14/39/43/839143943.db2.gz UTMBJXFOAYIBDB-GJZGRUSLSA-N 1 1 351.455 -0.676 50 0 FBAAMO C[N@H+]1CCC[C@H](C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)CCO3)C1 ZINC000823770346 839145840 /nfs/dbraw/zinc/14/58/40/839145840.db2.gz ZXVBHZUCOGKBAW-AWEZNQCLSA-N 1 1 359.492 -0.019 50 0 FBAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)CCO3)C1 ZINC000823770347 839146617 /nfs/dbraw/zinc/14/66/17/839146617.db2.gz ZXVBHZUCOGKBAW-CQSZACIVSA-N 1 1 359.492 -0.019 50 0 FBAAMO CC(=O)N1CCOC2(CCN(C(=O)CN3CCC[N@H+](C)CC3)CC2)C1 ZINC000823778339 839145807 /nfs/dbraw/zinc/14/58/07/839145807.db2.gz FBXGSKDHMAQYMF-UHFFFAOYSA-N 1 1 352.479 -0.136 50 0 FBAAMO C[NH+]1CCN(CC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000823789503 839147245 /nfs/dbraw/zinc/14/72/45/839147245.db2.gz YUSVRIYXNRBTPX-UHFFFAOYSA-N 1 1 374.894 -0.018 50 0 FBAAMO CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCC1CCN(C(=O)CSC)CC1 ZINC000824881395 839180121 /nfs/dbraw/zinc/18/01/21/839180121.db2.gz FVSLNFQAHSBJKG-AWEZNQCLSA-N 1 1 370.519 -0.085 50 0 FBAAMO CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCC1CCN(C(=O)CSC)CC1 ZINC000824881395 839180113 /nfs/dbraw/zinc/18/01/13/839180113.db2.gz FVSLNFQAHSBJKG-AWEZNQCLSA-N 1 1 370.519 -0.085 50 0 FBAAMO CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCC1CCN(C(=O)CSC)CC1 ZINC000824881396 839180319 /nfs/dbraw/zinc/18/03/19/839180319.db2.gz FVSLNFQAHSBJKG-CQSZACIVSA-N 1 1 370.519 -0.085 50 0 FBAAMO CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCC1CCN(C(=O)CSC)CC1 ZINC000824881396 839180315 /nfs/dbraw/zinc/18/03/15/839180315.db2.gz FVSLNFQAHSBJKG-CQSZACIVSA-N 1 1 370.519 -0.085 50 0 FBAAMO C[N@@H+](CCC(=O)N1CCC2(CNC(=O)O2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000952868899 840132327 /nfs/dbraw/zinc/13/23/27/840132327.db2.gz BYEIDNVCNQGPQI-GFCCVEGCSA-N 1 1 359.448 -0.404 50 0 FBAAMO C[N@H+](CCC(=O)N1CCC2(CNC(=O)O2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000952868899 840132324 /nfs/dbraw/zinc/13/23/24/840132324.db2.gz BYEIDNVCNQGPQI-GFCCVEGCSA-N 1 1 359.448 -0.404 50 0 FBAAMO C[N@@H+](CCC(=O)N1CCC2(CNC(=O)O2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000952868903 840132172 /nfs/dbraw/zinc/13/21/72/840132172.db2.gz BYEIDNVCNQGPQI-LBPRGKRZSA-N 1 1 359.448 -0.404 50 0 FBAAMO C[N@H+](CCC(=O)N1CCC2(CNC(=O)O2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000952868903 840132167 /nfs/dbraw/zinc/13/21/67/840132167.db2.gz BYEIDNVCNQGPQI-LBPRGKRZSA-N 1 1 359.448 -0.404 50 0 FBAAMO CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)CC2 ZINC000952968249 661791576 /nfs/dbraw/zinc/79/15/76/661791576.db2.gz IYHXVWBMMSIERH-CPUCHLNUSA-N 1 1 353.463 -0.038 50 0 FBAAMO CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)CC2 ZINC000952968268 661791563 /nfs/dbraw/zinc/79/15/63/661791563.db2.gz IYHXVWBMMSIERH-VBQJREDUSA-N 1 1 353.463 -0.038 50 0 FBAAMO CN(CC[N@@H+](C)C1CCCC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000952973081 660426398 /nfs/dbraw/zinc/42/63/98/660426398.db2.gz REYYCMSAJILACG-UHFFFAOYSA-N 1 1 358.464 -0.421 50 0 FBAAMO COCC[NH+]1CCC(CN(C)S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000952975771 661791546 /nfs/dbraw/zinc/79/15/46/661791546.db2.gz GNQPOSOPPGORCX-AWEZNQCLSA-N 1 1 368.521 -0.207 50 0 FBAAMO COCC[NH+]1CCC(CN(C)S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000952975775 661791633 /nfs/dbraw/zinc/79/16/33/661791633.db2.gz GNQPOSOPPGORCX-CQSZACIVSA-N 1 1 368.521 -0.207 50 0 FBAAMO CN1CC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)OCC1=O ZINC000952979711 661791737 /nfs/dbraw/zinc/79/17/37/661791737.db2.gz PGDDOPXIZITHPZ-CYBMUJFWSA-N 1 1 352.435 -0.967 50 0 FBAAMO CN1CC2(CCN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)OCC1=O ZINC000952979713 661791534 /nfs/dbraw/zinc/79/15/34/661791534.db2.gz PGDDOPXIZITHPZ-ZDUSSCGKSA-N 1 1 352.435 -0.967 50 0 FBAAMO NC(=O)CN1CCC[C@H](C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)C1 ZINC000952981321 661791664 /nfs/dbraw/zinc/79/16/64/661791664.db2.gz HLTOQQWQDGCHOM-HNNXBMFYSA-N 1 1 352.479 -0.367 50 0 FBAAMO NC(=O)CN1CCC[C@@H](C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)C1 ZINC000952981328 661791555 /nfs/dbraw/zinc/79/15/55/661791555.db2.gz HLTOQQWQDGCHOM-OAHLLOKOSA-N 1 1 352.479 -0.367 50 0 FBAAMO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000952985924 661791903 /nfs/dbraw/zinc/79/19/03/661791903.db2.gz BXGLCZSYWRXEJU-KFWWJZLASA-N 1 1 356.467 -0.964 50 0 FBAAMO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000952985926 661791923 /nfs/dbraw/zinc/79/19/23/661791923.db2.gz BXGLCZSYWRXEJU-ZNMIVQPWSA-N 1 1 356.467 -0.964 50 0 FBAAMO C[NH+]1CCN([C@H]2COC[C@@H]2NC(=O)CCN2CCCCCC2=O)CC1 ZINC000952990677 661791874 /nfs/dbraw/zinc/79/18/74/661791874.db2.gz XRQFWLVUKODXTC-HOTGVXAUSA-N 1 1 352.479 -0.090 50 0 FBAAMO