smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)N(C)C)C[C@H](C2)O3)c(O)c1 ZINC001279337501 862834849 /nfs/dbraw/zinc/83/48/49/862834849.db2.gz BKHSONHQMLVJKT-GASCZTMLSA-N 1 2 355.460 0.392 20 10 FCCDLO Cc1ccc(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)N(C)C)C[C@H](C2)O3)c(O)c1 ZINC001279337501 862834865 /nfs/dbraw/zinc/83/48/65/862834865.db2.gz BKHSONHQMLVJKT-GASCZTMLSA-N 1 2 355.460 0.392 20 10 FCCDLO CC[C@H](C(N)=O)N1C[C@@]2(F)C[N@H+](Cc3ccccc3O)C[C@@]2(F)C1=O ZINC001275231993 860995219 /nfs/dbraw/zinc/99/52/19/860995219.db2.gz JFYSABXHFNFYHN-OAUYIBNBSA-N 1 2 353.369 0.731 20 10 FCCDLO CC[C@H](C(N)=O)N1C[C@@]2(F)C[N@@H+](Cc3ccccc3O)C[C@@]2(F)C1=O ZINC001275231993 860995235 /nfs/dbraw/zinc/99/52/35/860995235.db2.gz JFYSABXHFNFYHN-OAUYIBNBSA-N 1 2 353.369 0.731 20 10 FCCDLO C[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)n1cc[nH+]c1 ZINC001328490002 871458261 /nfs/dbraw/zinc/45/82/61/871458261.db2.gz WMVRTUZGERPHRY-CQSZACIVSA-N 1 2 362.455 0.995 20 10 FCCDLO CN(C)c1nc(N)nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000119778040 529803025 /nfs/dbraw/zinc/80/30/25/529803025.db2.gz XXGLUANWXVNNDC-UHFFFAOYSA-N 1 2 357.462 0.988 20 10 FCCDLO CN(C)c1nc(N)nc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000119778040 529803026 /nfs/dbraw/zinc/80/30/26/529803026.db2.gz XXGLUANWXVNNDC-UHFFFAOYSA-N 1 2 357.462 0.988 20 10 FCCDLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000156024303 530024249 /nfs/dbraw/zinc/02/42/49/530024249.db2.gz LOSJUUOGCKVHEM-INIZCTEOSA-N 1 2 368.503 0.335 20 10 FCCDLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000156024303 530024251 /nfs/dbraw/zinc/02/42/51/530024251.db2.gz LOSJUUOGCKVHEM-INIZCTEOSA-N 1 2 368.503 0.335 20 10 FCCDLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000267889004 533530777 /nfs/dbraw/zinc/53/07/77/533530777.db2.gz HBFAXQKQCGMFCB-LBPRGKRZSA-N 1 2 353.394 0.634 20 10 FCCDLO C[C@@H]1COCC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051687854 229151819 /nfs/dbraw/zinc/15/18/19/229151819.db2.gz GUTOZEVURLEINA-CQSZACIVSA-N 1 2 351.422 0.999 20 10 FCCDLO C[C@@H]1COCC[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051687854 229151822 /nfs/dbraw/zinc/15/18/22/229151822.db2.gz GUTOZEVURLEINA-CQSZACIVSA-N 1 2 351.422 0.999 20 10 FCCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)CCS(C)(=O)=O)cc2=O ZINC000269888421 488513810 /nfs/dbraw/zinc/51/38/10/488513810.db2.gz CSCQYYDVMWTHOV-UHFFFAOYSA-N 1 2 370.431 0.478 20 10 FCCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)CCS(C)(=O)=O)cc2=O ZINC000269888421 488513812 /nfs/dbraw/zinc/51/38/12/488513812.db2.gz CSCQYYDVMWTHOV-UHFFFAOYSA-N 1 2 370.431 0.478 20 10 FCCDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C)c(O)c1O ZINC000272743163 488602254 /nfs/dbraw/zinc/60/22/54/488602254.db2.gz IQZNLGNDVCWXDO-UHFFFAOYSA-N 1 2 352.387 0.354 20 10 FCCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CC2)cc1 ZINC000267699530 488813439 /nfs/dbraw/zinc/81/34/39/488813439.db2.gz UJBPFFKIBDIFFO-MRXNPFEDSA-N 1 2 373.457 0.053 20 10 FCCDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCN4C(=O)NC[C@@H]4C3)CC2)cc1 ZINC000267699530 488813440 /nfs/dbraw/zinc/81/34/40/488813440.db2.gz UJBPFFKIBDIFFO-MRXNPFEDSA-N 1 2 373.457 0.053 20 10 FCCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@](F)(C(=O)OC)C1)cc2=O ZINC000267765245 488818651 /nfs/dbraw/zinc/81/86/51/488818651.db2.gz GABXKXBZCGPDQS-INIZCTEOSA-N 1 2 366.349 0.699 20 10 FCCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@](F)(C(=O)OC)C1)cc2=O ZINC000267765245 488818652 /nfs/dbraw/zinc/81/86/52/488818652.db2.gz GABXKXBZCGPDQS-INIZCTEOSA-N 1 2 366.349 0.699 20 10 FCCDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000283244363 489232619 /nfs/dbraw/zinc/23/26/19/489232619.db2.gz CGGXPMCRBKRSSK-HNNXBMFYSA-N 1 2 357.414 0.949 20 10 FCCDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000283244363 489232622 /nfs/dbraw/zinc/23/26/22/489232622.db2.gz CGGXPMCRBKRSSK-HNNXBMFYSA-N 1 2 357.414 0.949 20 10 FCCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000283878526 489298938 /nfs/dbraw/zinc/29/89/38/489298938.db2.gz LFJYGJCRWSGCFX-HNNXBMFYSA-N 1 2 371.441 0.541 20 10 FCCDLO O=S(=O)(C1CC1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000530103160 490888570 /nfs/dbraw/zinc/88/85/70/490888570.db2.gz UARGQASDELEJHA-HNNXBMFYSA-N 1 2 354.428 0.428 20 10 FCCDLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000014304546 664224130 /nfs/dbraw/zinc/22/41/30/664224130.db2.gz QXELBHMTXUDLJT-UHFFFAOYSA-N 1 2 371.459 0.825 20 10 FCCDLO COc1c(O)c(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000774831041 668176186 /nfs/dbraw/zinc/17/61/86/668176186.db2.gz CAQHTUKECVATPV-NSHDSACASA-N 1 2 359.404 0.823 20 10 FCCDLO COc1c(O)c(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000774831041 668176188 /nfs/dbraw/zinc/17/61/88/668176188.db2.gz CAQHTUKECVATPV-NSHDSACASA-N 1 2 359.404 0.823 20 10 FCCDLO COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC[N@H+](C)C1 ZINC000840958247 670528805 /nfs/dbraw/zinc/52/88/05/670528805.db2.gz OOEHDRGTLQBFFH-LBPRGKRZSA-N 1 2 353.375 0.846 20 10 FCCDLO COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC[N@@H+](C)C1 ZINC000840958247 670528811 /nfs/dbraw/zinc/52/88/11/670528811.db2.gz OOEHDRGTLQBFFH-LBPRGKRZSA-N 1 2 353.375 0.846 20 10 FCCDLO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000840958247 670528817 /nfs/dbraw/zinc/52/88/17/670528817.db2.gz OOEHDRGTLQBFFH-LBPRGKRZSA-N 1 2 353.375 0.846 20 10 FCCDLO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000840958247 670528820 /nfs/dbraw/zinc/52/88/20/670528820.db2.gz OOEHDRGTLQBFFH-LBPRGKRZSA-N 1 2 353.375 0.846 20 10 FCCDLO COc1c(N)[nH+]cnc1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000853792698 671557694 /nfs/dbraw/zinc/55/76/94/671557694.db2.gz AZYUWFWKHRTBSG-UHFFFAOYSA-N 1 2 363.443 0.914 20 10 FCCDLO COc1c(N)nc[nH+]c1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000853792698 671557695 /nfs/dbraw/zinc/55/76/95/671557695.db2.gz AZYUWFWKHRTBSG-UHFFFAOYSA-N 1 2 363.443 0.914 20 10 FCCDLO O=C(c1cccc(O)c1O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001271242179 1190373906 /nfs/dbraw/zinc/37/39/06/1190373906.db2.gz QBGJFYZBUGUTOD-ZBFHGGJFSA-N 1 2 358.398 0.520 20 10 FCCDLO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cc(O)[nH]c(=O)c1)CC2 ZINC001271797281 1190705519 /nfs/dbraw/zinc/70/55/19/1190705519.db2.gz MOQRRQCDJZOHHM-UHFFFAOYSA-N 1 2 362.430 0.509 20 10 FCCDLO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)c1cc(O)[nH]c(=O)c1)CC2 ZINC001271797281 1190705520 /nfs/dbraw/zinc/70/55/20/1190705520.db2.gz MOQRRQCDJZOHHM-UHFFFAOYSA-N 1 2 362.430 0.509 20 10 FCCDLO Cc1cc(C[N@@H+]2CCC3(CN(C(=O)c4cc(O)[nH]c(=O)c4)C3)C2)n(C)n1 ZINC001271801112 1190707443 /nfs/dbraw/zinc/70/74/43/1190707443.db2.gz IAKKJDMAJMILDU-UHFFFAOYSA-N 1 2 357.414 0.883 20 10 FCCDLO Cc1cc(C[N@H+]2CCC3(CN(C(=O)c4cc(O)[nH]c(=O)c4)C3)C2)n(C)n1 ZINC001271801112 1190707446 /nfs/dbraw/zinc/70/74/46/1190707446.db2.gz IAKKJDMAJMILDU-UHFFFAOYSA-N 1 2 357.414 0.883 20 10 FCCDLO O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001218920105 1224259903 /nfs/dbraw/zinc/25/99/03/1224259903.db2.gz QOQRNNLDZRRJJU-HOCLYGCPSA-N 1 2 352.346 0.829 20 10 FCCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)NCC(F)F)CC2)cc1 ZINC000767757425 1200009252 /nfs/dbraw/zinc/00/92/52/1200009252.db2.gz ZZMVEPRQEAZWFE-UHFFFAOYSA-N 1 2 370.400 0.315 20 10 FCCDLO C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001185240997 1206476273 /nfs/dbraw/zinc/47/62/73/1206476273.db2.gz PALMJDDWEBIFEI-HNNXBMFYSA-N 1 2 358.394 0.890 20 10 FCCDLO C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001185240997 1206476276 /nfs/dbraw/zinc/47/62/76/1206476276.db2.gz PALMJDDWEBIFEI-HNNXBMFYSA-N 1 2 358.394 0.890 20 10 FCCDLO COC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881379903 1210586824 /nfs/dbraw/zinc/58/68/24/1210586824.db2.gz CIFUAUOSAGLOPD-SFHVURJKSA-N 1 2 373.457 0.984 20 10 FCCDLO CNC(=O)C(C)(C)N1C(=O)COCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001275033260 1211167705 /nfs/dbraw/zinc/16/77/05/1211167705.db2.gz ADCYAFKXQUVQLF-UHFFFAOYSA-N 1 2 363.414 0.036 20 10 FCCDLO COCCOCN1CC2(C[NH+](Cc3ccc(O)c(C)c3O)C2)OCC1=O ZINC001275279754 1211207436 /nfs/dbraw/zinc/20/74/36/1211207436.db2.gz MIVUGYYUJVSYCI-UHFFFAOYSA-N 1 2 366.414 0.440 20 10 FCCDLO CCNC(=O)CN1C(=O)COCC12C[NH+](Cc1ccc(N(C)C)cc1)C2 ZINC001275596680 1211262007 /nfs/dbraw/zinc/26/20/07/1211262007.db2.gz BMHASDDDDSIMQU-UHFFFAOYSA-N 1 2 360.458 0.302 20 10 FCCDLO Cn1cncc1CN1C(=O)COCC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001275673217 1211271537 /nfs/dbraw/zinc/27/15/37/1211271537.db2.gz XFBLTRHWMIQCMZ-UHFFFAOYSA-N 1 2 358.398 0.445 20 10 FCCDLO CN(C)C(=O)CCN1C(=O)COCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001276037820 1211330832 /nfs/dbraw/zinc/33/08/32/1211330832.db2.gz NGLREIXBXKUXPI-UHFFFAOYSA-N 1 2 365.405 0.423 20 10 FCCDLO O=C1CC[C@@H](CN2C(=O)COCC23C[NH+](Cc2cc(F)ccc2O)C3)N1 ZINC001276063704 1211344126 /nfs/dbraw/zinc/34/41/26/1211344126.db2.gz JWVIFFXHAIYYDT-AWEZNQCLSA-N 1 2 363.389 0.223 20 10 FCCDLO Cn1cnnc1CN1C(=O)COCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001276064031 1211344508 /nfs/dbraw/zinc/34/45/08/1211344508.db2.gz PAERIUCAQFQUGK-UHFFFAOYSA-N 1 2 361.377 0.273 20 10 FCCDLO COc1ccc(N2CC[NH+](C[C@H](O)CN3CCc4n[nH]nc4C3)CC2)cc1 ZINC000759517447 1220325178 /nfs/dbraw/zinc/32/51/78/1220325178.db2.gz JMLMGQZKSFSPSR-INIZCTEOSA-N 1 2 372.473 0.355 20 10 FCCDLO Cc1cccc(C[NH+]2CC3(C2)CN(C[C@@H]2CCC(=O)N2)C(=O)CO3)c1O ZINC001276683407 1223687056 /nfs/dbraw/zinc/68/70/56/1223687056.db2.gz JNGYGJFGDYKKAP-HNNXBMFYSA-N 1 2 359.426 0.392 20 10 FCCDLO CN(C)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000785423695 1245310732 /nfs/dbraw/zinc/31/07/32/1245310732.db2.gz GSGZFSABKBLTCU-GOSISDBHSA-N 1 2 374.485 0.692 20 10 FCCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)N3CC[C@@H](C)C3)CC2)cc1 ZINC001327961236 1265462893 /nfs/dbraw/zinc/46/28/93/1265462893.db2.gz KGDOLNDLDVLWGQ-MRXNPFEDSA-N 1 2 374.485 0.802 20 10 FCCDLO Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001279682835 1260915131 /nfs/dbraw/zinc/91/51/31/1260915131.db2.gz YEQXCRFJNPMDHC-RYUDHWBXSA-N 1 2 359.386 0.278 20 10 FCCDLO Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001279682835 1260915134 /nfs/dbraw/zinc/91/51/34/1260915134.db2.gz YEQXCRFJNPMDHC-RYUDHWBXSA-N 1 2 359.386 0.278 20 10 FCCDLO O=C(NCCn1ccnn1)[C@@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1 ZINC001279969359 1260975930 /nfs/dbraw/zinc/97/59/30/1260975930.db2.gz YAUTXBIBJUEZEN-INIZCTEOSA-N 1 2 357.414 0.534 20 10 FCCDLO Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](C(=O)Nc2nnnn2C)O3)c(O)c1 ZINC001280047303 1260984851 /nfs/dbraw/zinc/98/48/51/1260984851.db2.gz FFHYVBKOSYEAEK-AWEZNQCLSA-N 1 2 358.402 0.596 20 10 FCCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)NC3CC(C)C3)CC2)cc1 ZINC001322954607 1264300285 /nfs/dbraw/zinc/30/02/85/1264300285.db2.gz HUBHGPZSRYIJMS-UHFFFAOYSA-N 1 2 374.485 0.848 20 10 FCCDLO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589956511 1283146886 /nfs/dbraw/zinc/14/68/86/1283146886.db2.gz PQZYVOFEQGEEAP-SNVBAGLBSA-N 1 2 366.447 0.647 20 10 FCCDLO CC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465079 1283552763 /nfs/dbraw/zinc/55/27/63/1283552763.db2.gz HULFVWICCSDGBN-GWCFXTLKSA-N 1 2 366.447 0.647 20 10 FCCDLO O=C1COCC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)N1CC(F)(F)F ZINC001276552935 861474574 /nfs/dbraw/zinc/47/45/74/861474574.db2.gz HMUFQJKHJGWHMA-UHFFFAOYSA-N 1 2 362.304 0.779 20 10 FCCDLO O=C1CO[C@@]2(CC[N@H+](Cc3c(O)ccc(F)c3F)C2)CN1C1COC1 ZINC001277095930 861760235 /nfs/dbraw/zinc/76/02/35/861760235.db2.gz MCHLCVPGTXGUNT-QGZVFWFLSA-N 1 2 354.353 0.873 20 10 FCCDLO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001279107723 862662295 /nfs/dbraw/zinc/66/22/95/862662295.db2.gz QYRUOGVAJZGSMP-ZBFHGGJFSA-N 1 2 355.385 0.644 20 10 FCCDLO CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001279107723 862662298 /nfs/dbraw/zinc/66/22/98/862662298.db2.gz QYRUOGVAJZGSMP-ZBFHGGJFSA-N 1 2 355.385 0.644 20 10 FCCDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(N4CCS(=O)(=O)CC4)cc3)C[C@H]21 ZINC001237206338 857449893 /nfs/dbraw/zinc/44/98/93/857449893.db2.gz KPNBLERLISCBLE-MSOLQXFVSA-N 1 2 365.499 0.436 20 10 FCCDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(N4CCS(=O)(=O)CC4)cc3)C[C@H]21 ZINC001237206338 857449896 /nfs/dbraw/zinc/44/98/96/857449896.db2.gz KPNBLERLISCBLE-MSOLQXFVSA-N 1 2 365.499 0.436 20 10 FCCDLO CNC(=O)CN1CCO[C@H]2C[N@H+](Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237938709 857459156 /nfs/dbraw/zinc/45/91/56/857459156.db2.gz NVDBXXYMZVGUJW-HIFRSBDPSA-N 1 2 357.813 0.816 20 10 FCCDLO CNC(=O)CN1CCO[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237938709 857459160 /nfs/dbraw/zinc/45/91/60/857459160.db2.gz NVDBXXYMZVGUJW-HIFRSBDPSA-N 1 2 357.813 0.816 20 10 FCCDLO NC(=O)CCS(=O)(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC001253432725 857887449 /nfs/dbraw/zinc/88/74/49/857887449.db2.gz CXCYVKMKRNLRRP-OAHLLOKOSA-N 1 2 370.471 0.663 20 10 FCCDLO NC(=O)CCS(=O)(=O)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC001253432725 857887455 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RJVFLOCCDSIDSM-UHFFFAOYSA-N 1 2 365.430 0.979 20 10 FCCDLO O=C(Cn1cccnc1=O)N1CCC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001278745532 1260724192 /nfs/dbraw/zinc/72/41/92/1260724192.db2.gz BJGLAWOBWLKHKX-UHFFFAOYSA-N 1 2 356.382 0.141 20 10 FCCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)N(C)C3CCC3)CC2)cc1 ZINC001325981653 1265036545 /nfs/dbraw/zinc/03/65/45/1265036545.db2.gz XVWSKPOOVNGXRM-UHFFFAOYSA-N 1 2 374.485 0.944 20 10 FCCDLO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cccc(-c2nn[nH]n2)c1O ZINC001589962733 1283149782 /nfs/dbraw/zinc/14/97/82/1283149782.db2.gz JLODYZBEMVUJLY-SNVBAGLBSA-N 1 2 355.420 0.284 20 10 FCCDLO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc(-c2nn[nH]n2)c1O ZINC001589978938 1283154583 /nfs/dbraw/zinc/15/45/83/1283154583.db2.gz SOHWPVFMSIRELY-QFYYESIMSA-N 1 2 360.374 0.444 20 10 FCCDLO O=C1COC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)CN1CC(F)(F)F ZINC001276553171 861474376 /nfs/dbraw/zinc/47/43/76/861474376.db2.gz LPDPSPAMTLMRBQ-UHFFFAOYSA-N 1 2 362.304 0.779 20 10 FCCDLO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3S(=O)(=O)N(C)C)c(O)c1 ZINC001278564844 862373917 /nfs/dbraw/zinc/37/39/17/862373917.db2.gz BYCNPQUTHTZINT-OKILXGFUSA-N 1 2 371.459 0.092 20 10 FCCDLO COc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3S(=O)(=O)N(C)C)c(O)c1 ZINC001278564844 862373935 /nfs/dbraw/zinc/37/39/35/862373935.db2.gz BYCNPQUTHTZINT-OKILXGFUSA-N 1 2 371.459 0.092 20 10 FCCDLO COc1ccc(O)c(C[NH+]2CC3(C[C@H]3C(=O)NCCS(C)(=O)=O)C2)c1 ZINC001279986366 863167096 /nfs/dbraw/zinc/16/70/96/863167096.db2.gz QKRBTEPIZYFSGP-AWEZNQCLSA-N 1 2 368.455 0.384 20 10 FCCDLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccc(N)cc3)CC2)C[C@H](C)O1 ZINC001356083553 867930727 /nfs/dbraw/zinc/93/07/27/867930727.db2.gz SIIKIHWODSVIMX-GASCZTMLSA-N 1 2 368.503 0.740 20 10 FCCDLO COC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000266018619 533172398 /nfs/dbraw/zinc/17/23/98/533172398.db2.gz VTNFVKMCQSNFKZ-GOSISDBHSA-N 1 2 363.458 0.691 20 10 FCCDLO COC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000266018619 533172407 /nfs/dbraw/zinc/17/24/07/533172407.db2.gz VTNFVKMCQSNFKZ-GOSISDBHSA-N 1 2 363.458 0.691 20 10 FCCDLO COCCN(C(=O)C[N@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000267430398 229379919 /nfs/dbraw/zinc/37/99/19/229379919.db2.gz MLEGVUDGSMGYRU-OAHLLOKOSA-N 1 2 370.471 0.486 20 10 FCCDLO COCCN(C(=O)C[N@@H+](C)Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000267430398 229379923 /nfs/dbraw/zinc/37/99/23/229379923.db2.gz MLEGVUDGSMGYRU-OAHLLOKOSA-N 1 2 370.471 0.486 20 10 FCCDLO C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H](C)[NH+]1CCOCC1 ZINC000264306395 229328590 /nfs/dbraw/zinc/32/85/90/229328590.db2.gz XFNRTIZOKCTOJJ-VXGBXAGGSA-N 1 2 371.459 0.603 20 10 FCCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000264782118 229337082 /nfs/dbraw/zinc/33/70/82/229337082.db2.gz YKQBFFFSTGKYDB-CQSZACIVSA-N 1 2 373.431 0.879 20 10 FCCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000264782115 229337180 /nfs/dbraw/zinc/33/71/80/229337180.db2.gz YKQBFFFSTGKYDB-AWEZNQCLSA-N 1 2 373.431 0.879 20 10 FCCDLO COc1c(O)c(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000278307176 488867218 /nfs/dbraw/zinc/86/72/18/488867218.db2.gz WJONLCIGRXUTBA-UHFFFAOYSA-N 1 2 352.391 0.691 20 10 FCCDLO COc1c(O)c(CN2CC[NH+](C(C)(C)C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000278307176 488867220 /nfs/dbraw/zinc/86/72/20/488867220.db2.gz WJONLCIGRXUTBA-UHFFFAOYSA-N 1 2 352.391 0.691 20 10 FCCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000364113894 488924296 /nfs/dbraw/zinc/92/42/96/488924296.db2.gz XYNSCGHKIXEHPY-MRXNPFEDSA-N 1 2 368.503 0.464 20 10 FCCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000364113894 488924297 /nfs/dbraw/zinc/92/42/97/488924297.db2.gz XYNSCGHKIXEHPY-MRXNPFEDSA-N 1 2 368.503 0.464 20 10 FCCDLO Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1O ZINC000272766480 488604175 /nfs/dbraw/zinc/60/41/75/488604175.db2.gz RFBLGNBTXULLEI-CYBMUJFWSA-N 1 2 363.414 0.069 20 10 FCCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284074702 489301250 /nfs/dbraw/zinc/30/12/50/489301250.db2.gz RDSAIAOHVLCLEY-INIZCTEOSA-N 1 2 374.485 0.740 20 10 FCCDLO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000285788042 489321080 /nfs/dbraw/zinc/32/10/80/489321080.db2.gz UJBALMLGKIPJIE-UHFFFAOYSA-N 1 2 374.485 0.476 20 10 FCCDLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000298670990 489351222 /nfs/dbraw/zinc/35/12/22/489351222.db2.gz NZKPDOPFUCBDAX-AWEZNQCLSA-N 1 2 364.446 0.678 20 10 FCCDLO COc1c(O)c(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000814170801 669877131 /nfs/dbraw/zinc/87/71/31/669877131.db2.gz CTKGAYPCOKVMIT-LLVKDONJSA-N 1 2 359.404 0.775 20 10 FCCDLO COc1c(O)c(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000814170801 669877133 /nfs/dbraw/zinc/87/71/33/669877133.db2.gz CTKGAYPCOKVMIT-LLVKDONJSA-N 1 2 359.404 0.775 20 10 FCCDLO O=S(=O)(CCn1cc[nH+]c1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000882417636 673309779 /nfs/dbraw/zinc/30/97/79/673309779.db2.gz VUXPDASXHIXSJF-UHFFFAOYSA-N 1 2 364.471 0.964 20 10 FCCDLO O=C(c1ccc(O)c(O)c1)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001272002463 1190826971 /nfs/dbraw/zinc/82/69/71/1190826971.db2.gz DAYBQJYPIFMUKF-PBHICJAKSA-N 1 2 358.398 0.520 20 10 FCCDLO O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218918764 1224257368 /nfs/dbraw/zinc/25/73/68/1224257368.db2.gz FIQJFEHGQOOENC-CJNGLKHVSA-N 1 2 352.346 0.686 20 10 FCCDLO COc1cc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)c(O)cc1C ZINC000768439270 1200154321 /nfs/dbraw/zinc/15/43/21/1200154321.db2.gz JLBVPKVDBWKMSX-UHFFFAOYSA-N 1 2 361.442 0.976 20 10 FCCDLO COC(=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173727084 1206288387 /nfs/dbraw/zinc/28/83/87/1206288387.db2.gz AOOIIYZSNGEMGI-IHRRRGAJSA-N 1 2 361.402 0.942 20 10 FCCDLO O=C(NCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000826673699 1210961835 /nfs/dbraw/zinc/96/18/35/1210961835.db2.gz MTCBOHSCRGEOHP-UHFFFAOYSA-N 1 2 371.441 0.277 20 10 FCCDLO COCCOCN1C(=O)COCC12C[NH+](Cc1ccc(OC)cc1O)C2 ZINC001275244719 1211201774 /nfs/dbraw/zinc/20/17/74/1211201774.db2.gz OZJDTDUPAUIBSZ-UHFFFAOYSA-N 1 2 366.414 0.435 20 10 FCCDLO Cc1noc(CN2C(=O)COCC23C[NH+](Cc2ccc(O)cc2O)C3)n1 ZINC001275671498 1211271326 /nfs/dbraw/zinc/27/13/26/1211271326.db2.gz HLGLXNKQAQRDHW-UHFFFAOYSA-N 1 2 360.370 0.403 20 10 FCCDLO CCOC(=O)[C@H](C)N1C(=O)COCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001276064446 1211344033 /nfs/dbraw/zinc/34/40/33/1211344033.db2.gz RVTYZYTYPSHXLQ-LBPRGKRZSA-N 1 2 366.389 0.896 20 10 FCCDLO COC(CN1C(=O)COCC12C[NH+](Cc1cc(F)cc(C)c1O)C2)OC ZINC001277026983 1225804876 /nfs/dbraw/zinc/80/48/76/1225804876.db2.gz XEYFOTAUOYKKLW-UHFFFAOYSA-N 1 2 368.405 0.872 20 10 FCCDLO COc1cc(C[NH+]2CC3(C2)COCC(=O)N3C2COC2)c(O)c(OC)c1 ZINC001277426688 1226038240 /nfs/dbraw/zinc/03/82/40/1226038240.db2.gz JQJBRVPTVMQIPL-UHFFFAOYSA-N 1 2 364.398 0.221 20 10 FCCDLO CC1([NH3+])CN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)C1 ZINC001157651618 1223080007 /nfs/dbraw/zinc/08/00/07/1223080007.db2.gz OZGCWRFVBKFVDS-LURJTMIESA-N 1 2 360.322 0.139 20 10 FCCDLO O=C1COC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)CN1Cc1cnoc1 ZINC001276553042 1223514193 /nfs/dbraw/zinc/51/41/93/1223514193.db2.gz IHKOYRGFZRAVPU-UHFFFAOYSA-N 1 2 361.354 0.405 20 10 FCCDLO C[NH+](C)CCN1CC2(C[NH+](Cc3ccc(C(=O)[O-])cc3O)C2)OCC1=O ZINC001276605207 1223589953 /nfs/dbraw/zinc/58/99/53/1223589953.db2.gz CFWYGROBYYHQBV-UHFFFAOYSA-N 1 2 363.414 0.065 20 10 FCCDLO O=C(Cn1cccnc1=O)N1CCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001279422101 1260866025 /nfs/dbraw/zinc/86/60/25/1260866025.db2.gz WWOADFVWAKDZCM-UHFFFAOYSA-N 1 2 358.373 0.575 20 10 FCCDLO Cc1ccc(C[NH+]2CC3(C2)CC[C@H](C(=O)Nc2nnnn2C)O3)c(O)c1 ZINC001280047304 1260985180 /nfs/dbraw/zinc/98/51/80/1260985180.db2.gz FFHYVBKOSYEAEK-CQSZACIVSA-N 1 2 358.402 0.596 20 10 FCCDLO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nn[nH]n2)c1O ZINC001589954594 1283147108 /nfs/dbraw/zinc/14/71/08/1283147108.db2.gz HSPBZCZGYBFWST-IINYFYTJSA-N 1 2 368.401 0.762 20 10 FCCDLO C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978563 1283154471 /nfs/dbraw/zinc/15/44/71/1283154471.db2.gz OJKQWEMBYGGKCV-SNVBAGLBSA-N 1 2 366.447 0.647 20 10 FCCDLO Oc1cccc(Br)c1C[NH2+]CCn1cnc(-c2nn[nH]n2)n1 ZINC001607110700 1288668465 /nfs/dbraw/zinc/66/84/65/1288668465.db2.gz JBNHDPVGFMDKIP-UHFFFAOYSA-N 1 2 365.195 0.716 20 10 FCCDLO COCCCN1CC2(C[NH+](Cc3cc(O)c(O)c(O)c3)C2)OCC1=O ZINC001278043228 862173157 /nfs/dbraw/zinc/17/31/57/862173157.db2.gz FJKDJWHMKJUANH-UHFFFAOYSA-N 1 2 352.387 0.253 20 10 FCCDLO CN(C)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c(O)ccc(F)c1F ZINC001279488462 862911880 /nfs/dbraw/zinc/91/18/80/862911880.db2.gz IQRYGHDWGZSFHL-TXEJJXNPSA-N 1 2 355.385 0.644 20 10 FCCDLO CN(C)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c(O)ccc(F)c1F ZINC001279488462 862911893 /nfs/dbraw/zinc/91/18/93/862911893.db2.gz IQRYGHDWGZSFHL-TXEJJXNPSA-N 1 2 355.385 0.644 20 10 FCCDLO 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20 10 FCCDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285717788 489320818 /nfs/dbraw/zinc/32/08/18/489320818.db2.gz MZRPMRAPPKSPGB-UHFFFAOYSA-N 1 2 374.485 0.476 20 10 FCCDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000299108693 489406481 /nfs/dbraw/zinc/40/64/81/489406481.db2.gz WVOAWXMTSNDAFF-LLVKDONJSA-N 1 2 357.432 0.214 20 10 FCCDLO CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000299408319 489439170 /nfs/dbraw/zinc/43/91/70/489439170.db2.gz PONSHPVYFLWJGH-KRWDZBQOSA-N 1 2 374.485 0.550 20 10 FCCDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000373911398 489690841 /nfs/dbraw/zinc/69/08/41/489690841.db2.gz MJJDWVSKKWEMTR-LLVKDONJSA-N 1 2 359.404 0.823 20 10 FCCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC(=O)N[C@@H]3CCCC[C@@H]31)cc2=O ZINC000268273489 528317612 /nfs/dbraw/zinc/31/76/12/528317612.db2.gz NIZZSBJIOPGWHJ-KGLIPLIRSA-N 1 2 373.413 0.855 20 10 FCCDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC(=O)N[C@@H]3CCCC[C@@H]31)cc2=O ZINC000268273489 528317618 /nfs/dbraw/zinc/31/76/18/528317618.db2.gz NIZZSBJIOPGWHJ-KGLIPLIRSA-N 1 2 373.413 0.855 20 10 FCCDLO CCCN(C)S(=O)(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000765186449 668001923 /nfs/dbraw/zinc/00/19/23/668001923.db2.gz VVFUILICUJZTOL-UHFFFAOYSA-N 1 2 370.519 0.993 20 10 FCCDLO COc1c(O)c(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000774831037 668176281 /nfs/dbraw/zinc/17/62/81/668176281.db2.gz CAQHTUKECVATPV-LLVKDONJSA-N 1 2 359.404 0.823 20 10 FCCDLO COc1c(O)c(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000774831037 668176286 /nfs/dbraw/zinc/17/62/86/668176286.db2.gz CAQHTUKECVATPV-LLVKDONJSA-N 1 2 359.404 0.823 20 10 FCCDLO CS(=O)(=O)N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876552237 672963129 /nfs/dbraw/zinc/96/31/29/672963129.db2.gz NQUVBQJRBOKRMG-UHFFFAOYSA-N 1 2 353.488 0.725 20 10 FCCDLO O=S(=O)(CCn1cc[nH+]c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000881798095 673245320 /nfs/dbraw/zinc/24/53/20/673245320.db2.gz IQEHBVBRUQXGMT-UHFFFAOYSA-N 1 2 368.434 0.978 20 10 FCCDLO NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051562787 1171788715 /nfs/dbraw/zinc/78/87/15/1171788715.db2.gz GAHBMCMYHQBEAP-INIZCTEOSA-N 1 2 364.421 0.228 20 10 FCCDLO NC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051562787 1171788731 /nfs/dbraw/zinc/78/87/31/1171788731.db2.gz GAHBMCMYHQBEAP-INIZCTEOSA-N 1 2 364.421 0.228 20 10 FCCDLO Nc1ccc(CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000842241780 1194117801 /nfs/dbraw/zinc/11/78/01/1194117801.db2.gz KJEOWAHEERJYIU-QGZVFWFLSA-N 1 2 360.458 0.251 20 10 FCCDLO COC[C@]1(C)NC(=O)N(C[N@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000844726811 1204431179 /nfs/dbraw/zinc/43/11/79/1204431179.db2.gz WXXZJULIAGEBOB-SFHVURJKSA-N 1 2 364.446 0.978 20 10 FCCDLO COC[C@]1(C)NC(=O)N(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000844726811 1204431182 /nfs/dbraw/zinc/43/11/82/1204431182.db2.gz WXXZJULIAGEBOB-SFHVURJKSA-N 1 2 364.446 0.978 20 10 FCCDLO COc1ccc(-n2nnnc2C[N@@H+]2C[C@@H]3CN(C(C)=O)C[C@]3(C)C2)cc1 ZINC001091412838 1204668167 /nfs/dbraw/zinc/66/81/67/1204668167.db2.gz AVUYPFVDGVWHKC-KDOFPFPSSA-N 1 2 356.430 0.971 20 10 FCCDLO COc1ccc(-n2nnnc2C[N@H+]2C[C@@H]3CN(C(C)=O)C[C@]3(C)C2)cc1 ZINC001091412838 1204668172 /nfs/dbraw/zinc/66/81/72/1204668172.db2.gz AVUYPFVDGVWHKC-KDOFPFPSSA-N 1 2 356.430 0.971 20 10 FCCDLO CC[C@@H](C(N)=O)N1C(=O)COCC12C[NH+](Cc1cccc(OC)c1O)C2 ZINC001275241689 1211200795 /nfs/dbraw/zinc/20/07/95/1211200795.db2.gz KSFNILISZWGUDK-ZDUSSCGKSA-N 1 2 363.414 0.078 20 10 FCCDLO Cc1ccc(O)c(C[NH+]2CC3(C2)CN(CCC(=O)N(C)C)C(=O)CO3)c1 ZINC001275239216 1211200975 /nfs/dbraw/zinc/20/09/75/1211200975.db2.gz SDZHDFWTFHYWSS-UHFFFAOYSA-N 1 2 361.442 0.592 20 10 FCCDLO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000803663597 1218467946 /nfs/dbraw/zinc/46/79/46/1218467946.db2.gz UQSPLATZBQEHNU-ZDUSSCGKSA-N 1 2 359.405 0.836 20 10 FCCDLO CCOCCN1C[C@@]2(F)C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@]2(F)C1=O ZINC001276553484 1223514689 /nfs/dbraw/zinc/51/46/89/1223514689.db2.gz PUYRDHSVKIFRNZ-DLBZAZTESA-N 1 2 372.368 0.914 20 10 FCCDLO CCOCCN1C[C@@]2(F)C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@]2(F)C1=O ZINC001276553484 1223514692 /nfs/dbraw/zinc/51/46/92/1223514692.db2.gz PUYRDHSVKIFRNZ-DLBZAZTESA-N 1 2 372.368 0.914 20 10 FCCDLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078259393 1255368515 /nfs/dbraw/zinc/36/85/15/1255368515.db2.gz HXDHUKYOUVNXCR-HUUCEWRRSA-N 1 2 371.401 0.558 20 10 FCCDLO CN(Cc1ccccc1O)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001330922248 1266116633 /nfs/dbraw/zinc/11/66/33/1266116633.db2.gz INYJSBQQOFZBBO-MRXNPFEDSA-N 1 2 361.442 0.674 20 10 FCCDLO COc1cc(C[NH+]2CC3(C[C@H]3C(=O)NCC(=O)N(C)C)C2)cc(O)c1O ZINC001279861210 1260946182 /nfs/dbraw/zinc/94/61/82/1260946182.db2.gz YGCBBFIKGOALOG-LBPRGKRZSA-N 1 2 363.414 0.133 20 10 FCCDLO CNC(=O)c1[nH]nnc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001311172157 1263249110 /nfs/dbraw/zinc/24/91/10/1263249110.db2.gz LIGSKWADLVOZMW-UHFFFAOYSA-N 1 2 372.433 0.238 20 10 FCCDLO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978562 1283153462 /nfs/dbraw/zinc/15/34/62/1283153462.db2.gz OJKQWEMBYGGKCV-JTQLQIEISA-N 1 2 366.447 0.647 20 10 FCCDLO C[NH+](C)CCN1C(=O)COCC12CN(Cc1c(F)ccc(F)c1O)C2 ZINC001275957939 861270173 /nfs/dbraw/zinc/27/01/73/861270173.db2.gz YVBORNRCLBNWBZ-UHFFFAOYSA-N 1 2 355.385 0.645 20 10 FCCDLO CCN1C[C@@]23C[N@H+](Cc4cc(O)ccc4O)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001141157920 849384063 /nfs/dbraw/zinc/38/40/63/849384063.db2.gz QIQWFBRJXLECLQ-KBMXLJTQSA-N 1 2 354.428 0.475 20 10 FCCDLO CCN1C[C@@]23C[N@@H+](Cc4cc(O)ccc4O)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001141157920 849384067 /nfs/dbraw/zinc/38/40/67/849384067.db2.gz QIQWFBRJXLECLQ-KBMXLJTQSA-N 1 2 354.428 0.475 20 10 FCCDLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)CN3C(=O)CSC3=S)c12 ZINC001144841454 849535360 /nfs/dbraw/zinc/53/53/60/849535360.db2.gz HVVUZUVHVBBRNB-UHFFFAOYSA-N 1 2 365.396 0.543 20 10 FCCDLO CN(C)S(=O)(=O)N1CCC2(C[NH+](Cc3c(O)ccc(F)c3F)C2)C1 ZINC001279489216 862912239 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