smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc2ccccc2c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246595770 432147601 /nfs/dbraw/zinc/14/76/01/432147601.db2.gz CXAGUQVBVCYKAE-AEFFLSMTSA-N 0 3 315.438 3.252 10 10 DGCEHN [O-]c1ccc2ccccc2c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246595770 432147602 /nfs/dbraw/zinc/14/76/02/432147602.db2.gz CXAGUQVBVCYKAE-AEFFLSMTSA-N 0 3 315.438 3.252 10 10 DGCEHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279689889 130757793 /nfs/dbraw/zinc/75/77/93/130757793.db2.gz HZIQADVMSCEKMD-UKRRQHHQSA-N 0 3 320.433 3.127 10 10 DGCEHN C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1[O-] ZINC000183562347 228374306 /nfs/dbraw/zinc/37/43/06/228374306.db2.gz MCALKBGYTBLMMO-GOEBONIOSA-N 0 3 316.445 3.224 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000185340781 228391446 /nfs/dbraw/zinc/39/14/46/228391446.db2.gz WIIPKIPFCXHFSI-ZDUSSCGKSA-N 0 3 308.422 3.266 10 10 DGCEHN CCc1nccn1[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000122829788 431846367 /nfs/dbraw/zinc/84/63/67/431846367.db2.gz UISHYSQPEFANLC-GOSISDBHSA-N 0 3 312.461 3.349 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000248516742 432295947 /nfs/dbraw/zinc/29/59/47/432295947.db2.gz OYHOBVWRQLINDC-DCGLDWPTSA-N 0 3 323.458 3.106 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])C12CCOCC2 ZINC000248647949 432310336 /nfs/dbraw/zinc/31/03/36/432310336.db2.gz UHNUVZWJZQHHBH-FHLIZLRMSA-N 0 3 319.445 3.325 10 10 DGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000184989322 432454559 /nfs/dbraw/zinc/45/45/59/432454559.db2.gz AGUYUKWFPFBZCL-CQSZACIVSA-N 0 3 308.385 3.132 10 10 DGCEHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccnn2C)c1[O-] ZINC000186992291 432641025 /nfs/dbraw/zinc/64/10/25/432641025.db2.gz QJVFRKODTQLSCB-SNVBAGLBSA-N 0 3 324.222 3.047 10 10 DGCEHN COc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000130486743 524742220 /nfs/dbraw/zinc/74/22/20/524742220.db2.gz WUYWUEFUSDNYGN-KDOFPFPSSA-N 0 3 314.429 3.145 10 10 DGCEHN [O-]c1cc2c(cc1C[NH2+]Cc1ccc(C(F)F)cc1)OCO2 ZINC000185172469 546186638 /nfs/dbraw/zinc/18/66/38/546186638.db2.gz XOBMQFXKCQXSNP-UHFFFAOYSA-N 0 3 307.296 3.348 10 10 DGCEHN Oc1cc2c(cc1CNCc1ccc(C(F)F)cc1)OCO2 ZINC000185172469 546186643 /nfs/dbraw/zinc/18/66/43/546186643.db2.gz XOBMQFXKCQXSNP-UHFFFAOYSA-N 0 3 307.296 3.348 10 10 DGCEHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCSC2)c1[O-] ZINC000704800774 660820796 /nfs/dbraw/zinc/82/07/96/660820796.db2.gz YKUJDZQZNXOCKG-SNVBAGLBSA-N 0 3 301.839 3.287 10 10 DGCEHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCCS2)c1[O-] ZINC000715599824 661212657 /nfs/dbraw/zinc/21/26/57/661212657.db2.gz GCETZWNJGLIHOI-GFCCVEGCSA-N 0 3 301.839 3.430 10 10 DGCEHN CC[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1ccccc1[O-] ZINC000185213122 656124845 /nfs/dbraw/zinc/12/48/45/656124845.db2.gz NHFCRJVPEQFCPN-SJKOYZFVSA-N 0 3 301.434 3.414 10 10 DGCEHN COc1ccc(O)c([C@@H](C)NCc2ncc(C)c(OC)c2C)c1 ZINC000182390274 660049369 /nfs/dbraw/zinc/04/93/69/660049369.db2.gz TUFNGBUJKWTJLV-CYBMUJFWSA-N 0 3 316.401 3.272 10 10 DGCEHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccncc2OC)c1 ZINC000188796878 661945386 /nfs/dbraw/zinc/94/53/86/661945386.db2.gz LKNXYFWFLUCPQV-RYUDHWBXSA-N 0 3 302.374 3.216 10 10 DGCEHN CCOc1ccc(O)c(CN[C@@H](C)c2ccncc2OC)c1 ZINC000189559610 661981696 /nfs/dbraw/zinc/98/16/96/661981696.db2.gz RTAWWCSSUHVIEV-LBPRGKRZSA-N 0 3 302.374 3.045 10 10 DGCEHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1[O-] ZINC000298225107 132051836 /nfs/dbraw/zinc/05/18/36/132051836.db2.gz GPVJPRPTACTATC-HIFRSBDPSA-N 0 3 313.319 3.211 10 10 DGCEHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1[O-] ZINC000298225107 132051838 /nfs/dbraw/zinc/05/18/38/132051838.db2.gz GPVJPRPTACTATC-HIFRSBDPSA-N 0 3 313.319 3.211 10 10 DGCEHN Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180119882 228355259 /nfs/dbraw/zinc/35/52/59/228355259.db2.gz PZIIIZJLGKPFHN-HNNXBMFYSA-N 0 3 303.381 3.219 10 10 DGCEHN Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180119882 228355263 /nfs/dbraw/zinc/35/52/63/228355263.db2.gz PZIIIZJLGKPFHN-HNNXBMFYSA-N 0 3 303.381 3.219 10 10 DGCEHN C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1[O-] ZINC000183562379 228374405 /nfs/dbraw/zinc/37/44/05/228374405.db2.gz MCALKBGYTBLMMO-HOCLYGCPSA-N 0 3 316.445 3.224 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000248491867 432296595 /nfs/dbraw/zinc/29/65/95/432296595.db2.gz IXMSDKDPYGHRFX-ZQIUZPCESA-N 0 3 307.459 3.406 10 10 DGCEHN CC[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccccc1[O-] ZINC000192841084 432420596 /nfs/dbraw/zinc/42/05/96/432420596.db2.gz QJRBQYGFTKSJEO-MRXNPFEDSA-N 0 3 304.434 3.080 10 10 DGCEHN COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185096644 432465063 /nfs/dbraw/zinc/46/50/63/432465063.db2.gz LMPUZCKJBFFBRX-SUMWQHHRSA-N 0 3 301.386 3.093 10 10 DGCEHN [O-]c1c(Cl)cccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245644069 432853059 /nfs/dbraw/zinc/85/30/59/432853059.db2.gz FFESWHLGOBAHRX-SUMWQHHRSA-N 0 3 320.864 3.494 10 10 DGCEHN [O-]c1c(Cl)cccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245644069 432853061 /nfs/dbraw/zinc/85/30/61/432853061.db2.gz FFESWHLGOBAHRX-SUMWQHHRSA-N 0 3 320.864 3.494 10 10 DGCEHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N(C)C(=O)OC(C)(C)C ZINC000296389713 432902976 /nfs/dbraw/zinc/90/29/76/432902976.db2.gz JTGDBHMPXGFQHI-GXTWGEPZSA-N 0 3 320.433 3.225 10 10 DGCEHN C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000283187801 433687242 /nfs/dbraw/zinc/68/72/42/433687242.db2.gz KICITJKRFQYRCW-QWHCGFSZSA-N 0 3 308.422 3.298 10 10 DGCEHN C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185340917 533853032 /nfs/dbraw/zinc/85/30/32/533853032.db2.gz CJURNPFUVAAATA-NSHDSACASA-N 0 3 312.385 3.097 10 10 DGCEHN COc1ccc([O-])c(C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000378439298 534198536 /nfs/dbraw/zinc/19/85/36/534198536.db2.gz OEARLFOBSOEFLB-UHFFFAOYSA-N 0 3 305.418 3.039 10 10 DGCEHN CC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1[O-] ZINC000156509328 522953226 /nfs/dbraw/zinc/95/32/26/522953226.db2.gz ALHIBPDEBLLHHK-DZGCQCFKSA-N 0 3 314.433 3.163 10 10 DGCEHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000180331697 524867176 /nfs/dbraw/zinc/86/71/76/524867176.db2.gz OZBITVGYLFRLFF-LBPRGKRZSA-N 0 3 305.809 3.077 10 10 DGCEHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000180331697 524867189 /nfs/dbraw/zinc/86/71/89/524867189.db2.gz OZBITVGYLFRLFF-LBPRGKRZSA-N 0 3 305.809 3.077 10 10 DGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1[O-] ZINC000188420563 655690795 /nfs/dbraw/zinc/69/07/95/655690795.db2.gz FHKASRIIABWICC-HNNXBMFYSA-N 0 3 305.809 3.215 10 10 DGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1[O-] ZINC000188420563 655690796 /nfs/dbraw/zinc/69/07/96/655690796.db2.gz FHKASRIIABWICC-HNNXBMFYSA-N 0 3 305.809 3.215 10 10 DGCEHN CN(C(=O)Nc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310155937 656558913 /nfs/dbraw/zinc/55/89/13/656558913.db2.gz QDWZZWWCQVKIOK-SFHVURJKSA-N 0 3 324.428 3.007 10 10 DGCEHN COc1ccc(O)c([C@H](C)NCc2ncc(C)c(OC)c2C)c1 ZINC000182390255 660049476 /nfs/dbraw/zinc/04/94/76/660049476.db2.gz TUFNGBUJKWTJLV-ZDUSSCGKSA-N 0 3 316.401 3.272 10 10 DGCEHN C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccccc1[O-] ZINC000183630285 660128025 /nfs/dbraw/zinc/12/80/25/660128025.db2.gz YIDBSYFPQVULLE-UONOGXRCSA-N 0 3 308.385 3.385 10 10 DGCEHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)CC2(CCCC2)O1 ZINC000190463988 662033189 /nfs/dbraw/zinc/03/31/89/662033189.db2.gz SVXDYRKEBLMWSJ-UHFFFAOYSA-N 0 3 319.401 3.045 10 10 DGCEHN Cc1ccccc1N1C(=O)[C@@H](CN2CCCCC2)SC1=S ZINC000005756235 181280641 /nfs/dbraw/zinc/28/06/41/181280641.db2.gz KAEMSVUUBMKFSA-CQSZACIVSA-N 0 3 320.483 3.214 10 10 DGCEHN Cc1ccc(N2C(=O)[C@@H](CN3CCCCC3)SC2=S)cc1 ZINC000005751516 181280698 /nfs/dbraw/zinc/28/06/98/181280698.db2.gz DHPSNKOCTJXHOT-CQSZACIVSA-N 0 3 320.483 3.214 10 10 DGCEHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1[O-] ZINC000298225103 132052004 /nfs/dbraw/zinc/05/20/04/132052004.db2.gz GPVJPRPTACTATC-DZGCQCFKSA-N 0 3 313.319 3.211 10 10 DGCEHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1[O-] ZINC000298225103 132052005 /nfs/dbraw/zinc/05/20/05/132052005.db2.gz GPVJPRPTACTATC-DZGCQCFKSA-N 0 3 313.319 3.211 10 10 DGCEHN CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000246796542 432166785 /nfs/dbraw/zinc/16/67/85/432166785.db2.gz QQROXWRHXDPXKM-ZBFHGGJFSA-N 0 3 315.417 3.071 10 10 DGCEHN CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000246796542 432166786 /nfs/dbraw/zinc/16/67/86/432166786.db2.gz QQROXWRHXDPXKM-ZBFHGGJFSA-N 0 3 315.417 3.071 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C12CCOCC2 ZINC000248653701 432309884 /nfs/dbraw/zinc/30/98/84/432309884.db2.gz ZFEVIATYQLSQJC-OAUYIBNBSA-N 0 3 323.408 3.156 10 10 DGCEHN CC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1[O-] ZINC000192709292 432403540 /nfs/dbraw/zinc/40/35/40/432403540.db2.gz AXRBJVBLDUAIQW-KRWDZBQOSA-N 0 3 311.429 3.497 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C12CCOCC2 ZINC000186312417 432581776 /nfs/dbraw/zinc/58/17/76/432581776.db2.gz UHNUVZWJZQHHBH-BMGDILEWSA-N 0 3 319.445 3.325 10 10 DGCEHN C[C@H](CC[NH2+][C@@H]1CCc2cccc([O-])c21)NC(=O)OC(C)(C)C ZINC000297127005 298440564 /nfs/dbraw/zinc/44/05/64/298440564.db2.gz YUWSGZFQOUBFCK-TZMCWYRMSA-N 0 3 320.433 3.272 10 10 DGCEHN Cc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2ccccc2)c1[O-] ZINC000119542397 621687010 /nfs/dbraw/zinc/68/70/10/621687010.db2.gz KNJKHLHKXLWYFS-INIZCTEOSA-N 0 3 305.805 3.047 10 10 DGCEHN CO[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CC[C@@H]1C ZINC000221137536 627215133 /nfs/dbraw/zinc/21/51/33/627215133.db2.gz KRPAYIRSWIVPTF-ZUZCIYMTSA-N 0 3 311.809 3.105 10 10 DGCEHN C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1[O-] ZINC000185091893 660201362 /nfs/dbraw/zinc/20/13/62/660201362.db2.gz PXQJSGZRIIMUSS-PBHICJAKSA-N 0 3 316.420 3.355 10 10 DGCEHN C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc(F)ccc1[O-] ZINC000186080402 660265135 /nfs/dbraw/zinc/26/51/35/660265135.db2.gz PVUJDRYCCWOQCD-LBPRGKRZSA-N 0 3 300.333 3.133 10 10 DGCEHN C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000309696840 655876265 /nfs/dbraw/zinc/87/62/65/655876265.db2.gz DSSPEYWAPNZCCC-YJBOKZPZSA-N 0 3 310.441 3.490 10 10 DGCEHN COc1cc(CN2CCC[C@@H](C(F)(F)F)C2)c(O)cc1C ZINC000179433437 655892834 /nfs/dbraw/zinc/89/28/34/655892834.db2.gz DAAXBQDTOMJCHV-GFCCVEGCSA-N 0 3 303.324 3.484 10 10 DGCEHN COc1ccc(O)c([C@H](C)N[C@H](C)c2ccncc2OC)c1 ZINC000188796897 661945401 /nfs/dbraw/zinc/94/54/01/661945401.db2.gz LKNXYFWFLUCPQV-NEPJUHHUSA-N 0 3 302.374 3.216 10 10 DGCEHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000389836461 1197709851 /nfs/dbraw/zinc/70/98/51/1197709851.db2.gz KLYJJEKEBPWQJY-RDTXWAMCSA-N 0 3 314.404 3.141 10 10 DGCEHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CN(C(=O)OC(C)(C)C)C1 ZINC000401671441 1093963416 /nfs/dbraw/zinc/96/34/16/1093963416.db2.gz LOQKQCSSQVFEDY-ZFWWWQNUSA-N 0 3 320.433 3.127 10 10 DGCEHN Cc1cccc(N2C(=O)[C@@H](CN3CCCCC3)SC2=S)c1 ZINC000005755437 181280818 /nfs/dbraw/zinc/28/08/18/181280818.db2.gz FXFFWPIYVAESOW-CQSZACIVSA-N 0 3 320.483 3.214 10 10 DGCEHN COc1cc(O)c(CN2CCC(OCC(C)C)CC2)cc1OC ZINC000179439716 432058002 /nfs/dbraw/zinc/05/80/02/432058002.db2.gz IBQAAQMINLDOIW-UHFFFAOYSA-N 0 3 323.433 3.046 10 10 DGCEHN CCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000179662815 432066754 /nfs/dbraw/zinc/06/67/54/432066754.db2.gz YYYQATGKJKPVFC-UHFFFAOYSA-N 0 3 324.852 3.092 10 10 DGCEHN Cc1cc([O-])c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1C ZINC000190291179 432140186 /nfs/dbraw/zinc/14/01/86/432140186.db2.gz ADGCBVIRTXJVOY-IRXDYDNUSA-N 0 3 317.454 3.278 10 10 DGCEHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1C ZINC000190291179 432140188 /nfs/dbraw/zinc/14/01/88/432140188.db2.gz ADGCBVIRTXJVOY-IRXDYDNUSA-N 0 3 317.454 3.278 10 10 DGCEHN C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000185340936 533383581 /nfs/dbraw/zinc/38/35/81/533383581.db2.gz CJURNPFUVAAATA-LLVKDONJSA-N 0 3 312.385 3.097 10 10 DGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000185340466 228391630 /nfs/dbraw/zinc/39/16/30/228391630.db2.gz JFAKPOMXZHZKFD-CYBMUJFWSA-N 0 3 308.422 3.266 10 10 DGCEHN CCOc1cccc(CN2CCC[C@@H](n3cc(C)cn3)C2)c1O ZINC000123022565 431852355 /nfs/dbraw/zinc/85/23/55/431852355.db2.gz MTZQSSASUXPRJK-MRXNPFEDSA-N 0 3 315.417 3.133 10 10 DGCEHN CCCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC000093506765 431915833 /nfs/dbraw/zinc/91/58/33/431915833.db2.gz FGWCLHMTEHWYBV-CRAIPNDOSA-N 0 3 305.418 3.182 10 10 DGCEHN CCCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC000093506765 431915834 /nfs/dbraw/zinc/91/58/34/431915834.db2.gz FGWCLHMTEHWYBV-CRAIPNDOSA-N 0 3 305.418 3.182 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C12CCC2 ZINC000248530093 432297805 /nfs/dbraw/zinc/29/78/05/432297805.db2.gz XEDYHEJUJUTLFK-OAUYIBNBSA-N 0 3 305.418 3.399 10 10 DGCEHN Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c([O-])c1 ZINC000184989650 432454379 /nfs/dbraw/zinc/45/43/79/432454379.db2.gz BPXMZOVMDMDXRU-CQSZACIVSA-N 0 3 308.385 3.132 10 10 DGCEHN C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1cc(F)ccc1[O-] ZINC000186032040 432554766 /nfs/dbraw/zinc/55/47/66/432554766.db2.gz LXAXAZKOQKXRCA-NSHDSACASA-N 0 3 322.405 3.064 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293247 432579977 /nfs/dbraw/zinc/57/99/77/432579977.db2.gz IKJLFOCEMRCMGM-UONOGXRCSA-N 0 3 314.433 3.081 10 10 DGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000245872750 432867486 /nfs/dbraw/zinc/86/74/86/432867486.db2.gz SBARPEQMOQUNOB-ZIAGYGMSSA-N 0 3 313.850 3.060 10 10 DGCEHN Cc1cc(Cl)cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000245872750 432867487 /nfs/dbraw/zinc/86/74/87/432867487.db2.gz SBARPEQMOQUNOB-ZIAGYGMSSA-N 0 3 313.850 3.060 10 10 DGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000179963654 534198967 /nfs/dbraw/zinc/19/89/67/534198967.db2.gz IJASZDHGRKIPGX-GFCCVEGCSA-N 0 3 304.415 3.237 10 10 DGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000179963654 534198971 /nfs/dbraw/zinc/19/89/71/534198971.db2.gz IJASZDHGRKIPGX-GFCCVEGCSA-N 0 3 304.415 3.237 10 10 DGCEHN Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000180126071 534779760 /nfs/dbraw/zinc/77/97/60/534779760.db2.gz OXZFRHZNKPUHAM-HNNXBMFYSA-N 0 3 305.809 3.215 10 10 DGCEHN Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000180126071 534779766 /nfs/dbraw/zinc/77/97/66/534779766.db2.gz OXZFRHZNKPUHAM-HNNXBMFYSA-N 0 3 305.809 3.215 10 10 DGCEHN Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000180043827 524684791 /nfs/dbraw/zinc/68/47/91/524684791.db2.gz AGIYDWRCIULKTD-CQSZACIVSA-N 0 3 315.392 3.169 10 10 DGCEHN Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000180043827 524684797 /nfs/dbraw/zinc/68/47/97/524684797.db2.gz AGIYDWRCIULKTD-CQSZACIVSA-N 0 3 315.392 3.169 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c([O-])c1 ZINC000186293842 525941688 /nfs/dbraw/zinc/94/16/88/525941688.db2.gz KQYRFGMAHBVWCZ-UONOGXRCSA-N 0 3 314.433 3.081 10 10 DGCEHN C[C@H](c1ccco1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000131074478 625938034 /nfs/dbraw/zinc/93/80/34/625938034.db2.gz FLYXAYQAWKTGSU-OAHLLOKOSA-N 0 3 300.402 3.309 10 10 DGCEHN Cc1ccc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c([O-])c1 ZINC000185319468 660215310 /nfs/dbraw/zinc/21/53/10/660215310.db2.gz PFYCPRGBVASFHP-CYBMUJFWSA-N 0 3 303.406 3.490 10 10 DGCEHN COc1cc(CN2CCC[C@H](C(F)(F)F)C2)c(O)cc1C ZINC000179433427 655892861 /nfs/dbraw/zinc/89/28/61/655892861.db2.gz DAAXBQDTOMJCHV-LBPRGKRZSA-N 0 3 303.324 3.484 10 10 DGCEHN CC(C)(C)OC(=O)NCC1(CC[NH2+]Cc2ccccc2[O-])CC1 ZINC000404588856 1094261654 /nfs/dbraw/zinc/26/16/54/1094261654.db2.gz PDSFMVHIWXLIMK-UHFFFAOYSA-N 0 3 320.433 3.177 10 10 DGCEHN CCOc1ccc(O)c(CN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438415 193252791 /nfs/dbraw/zinc/25/27/91/193252791.db2.gz SLVTWTJWFBHNRL-INIZCTEOSA-N 0 3 301.390 3.241 10 10 DGCEHN Cn1ccnc1CC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000121776013 431805958 /nfs/dbraw/zinc/80/59/58/431805958.db2.gz WMXFKNMKCKHXIS-UHFFFAOYSA-N 0 3 319.836 3.234 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000248732950 432315282 /nfs/dbraw/zinc/31/52/82/432315282.db2.gz PBZSVVNTXDSMDX-AADNMHCOSA-N 0 3 303.402 3.009 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000192709548 432403019 /nfs/dbraw/zinc/40/30/19/432403019.db2.gz VVQCGVVEYKMRTB-HNNXBMFYSA-N 0 3 311.429 3.415 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C12CCOCC2 ZINC000185652569 432519562 /nfs/dbraw/zinc/51/95/62/432519562.db2.gz QTEZOPSZABDMLE-ZWKOTPCHSA-N 0 3 319.445 3.073 10 10 DGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293229 432579200 /nfs/dbraw/zinc/57/92/00/432579200.db2.gz IKJLFOCEMRCMGM-ZIAGYGMSSA-N 0 3 314.433 3.081 10 10 DGCEHN COc1cc(O)c(CN2CCC[C@H]2c2ccco2)cc1OC ZINC000160206887 432709930 /nfs/dbraw/zinc/70/99/30/432709930.db2.gz YSZNHBHZXBEUME-ZDUSSCGKSA-N 0 3 303.358 3.340 10 10 DGCEHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279689856 432990948 /nfs/dbraw/zinc/99/09/48/432990948.db2.gz HZIQADVMSCEKMD-DZGCQCFKSA-N 0 3 320.433 3.127 10 10 DGCEHN COc1cc([O-])c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1OC ZINC000245537332 295004303 /nfs/dbraw/zinc/00/43/03/295004303.db2.gz IVZFWFNBTRBSSD-DYVFJYSZSA-N 0 3 323.458 3.269 10 10 DGCEHN COc1cc([O-])c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1OC ZINC000245537332 295004309 /nfs/dbraw/zinc/00/43/09/295004309.db2.gz IVZFWFNBTRBSSD-DYVFJYSZSA-N 0 3 323.458 3.269 10 10 DGCEHN COc1cc(O)c(CN2CCS[C@H]3CCCC[C@H]32)cc1OC ZINC000245537332 295004312 /nfs/dbraw/zinc/00/43/12/295004312.db2.gz IVZFWFNBTRBSSD-DYVFJYSZSA-N 0 3 323.458 3.269 10 10 DGCEHN Cc1ccnc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC000371887759 434766855 /nfs/dbraw/zinc/76/68/55/434766855.db2.gz JJHWUTIZFAMAIN-UHFFFAOYSA-N 0 3 301.365 3.009 10 10 DGCEHN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C12CCOCC2 ZINC000185652633 520549230 /nfs/dbraw/zinc/54/92/30/520549230.db2.gz QTEZOPSZABDMLE-MSOLQXFVSA-N 0 3 319.445 3.073 10 10 DGCEHN COc1cc(Br)cc([C@@H]([NH3+])c2ccccc2)c1[O-] ZINC000757132618 617643156 /nfs/dbraw/zinc/64/31/56/617643156.db2.gz HUZROAKGSAXSHU-ZDUSSCGKSA-N 0 3 308.175 3.211 10 10 DGCEHN COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179557641 655908894 /nfs/dbraw/zinc/90/88/94/655908894.db2.gz SXEVPSWQUWZKML-HNNXBMFYSA-N 0 3 313.397 3.204 10 10 DGCEHN COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179557641 655908895 /nfs/dbraw/zinc/90/88/95/655908895.db2.gz SXEVPSWQUWZKML-HNNXBMFYSA-N 0 3 313.397 3.204 10 10 DGCEHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])[C@@H]1CCOC1 ZINC000311171303 655981261 /nfs/dbraw/zinc/98/12/61/655981261.db2.gz SWVVEANKMFBYNO-CYBMUJFWSA-N 0 3 314.223 3.074 10 10 DGCEHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])[C@@H]1CCOC1 ZINC000311171303 655981262 /nfs/dbraw/zinc/98/12/62/655981262.db2.gz SWVVEANKMFBYNO-CYBMUJFWSA-N 0 3 314.223 3.074 10 10 DGCEHN COc1ccc2ccc([O-])c(C[NH+]3CCC([C@@H](C)O)CC3)c2c1 ZINC000158608384 661875210 /nfs/dbraw/zinc/87/52/10/661875210.db2.gz FFIKCEKEKZEUCB-CYBMUJFWSA-N 0 3 315.413 3.147 10 10 DGCEHN COCC(C)(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000718693145 662260232 /nfs/dbraw/zinc/26/02/32/662260232.db2.gz FSKJJIZDKFBXFF-UHFFFAOYSA-N 0 3 301.814 3.207 10 10 DGCEHN COc1ccc(C[NH2+]Cc2cccc(Br)c2)c([O-])c1 ZINC000048818374 1194493185 /nfs/dbraw/zinc/49/31/85/1194493185.db2.gz DFWOJCIARIUNDN-UHFFFAOYSA-N 0 3 322.202 3.453 10 10 DGCEHN C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000389836458 1197710603 /nfs/dbraw/zinc/71/06/03/1197710603.db2.gz KLYJJEKEBPWQJY-KBXCAEBGSA-N 0 3 314.404 3.141 10 10 DGCEHN Cc1ccccc1N1C(=O)[C@H](CN2CCCCC2)SC1=S ZINC000005756232 181280941 /nfs/dbraw/zinc/28/09/41/181280941.db2.gz KAEMSVUUBMKFSA-AWEZNQCLSA-N 0 3 320.483 3.214 10 10 DGCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246086629 432093594 /nfs/dbraw/zinc/09/35/94/432093594.db2.gz IHJVOQNQAQSWPK-MAUKXSAKSA-N 0 3 300.446 3.149 10 10 DGCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246086629 432093598 /nfs/dbraw/zinc/09/35/98/432093598.db2.gz IHJVOQNQAQSWPK-MAUKXSAKSA-N 0 3 300.446 3.149 10 10 DGCEHN COc1cc(OC)cc([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC000179583510 533088121 /nfs/dbraw/zinc/08/81/21/533088121.db2.gz HJWLLIOGSFHPBH-AWEZNQCLSA-N 0 3 313.397 3.399 10 10 DGCEHN COc1cc(OC)cc([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC000179583510 533088126 /nfs/dbraw/zinc/08/81/26/533088126.db2.gz HJWLLIOGSFHPBH-AWEZNQCLSA-N 0 3 313.397 3.399 10 10 DGCEHN Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000180126086 228355090 /nfs/dbraw/zinc/35/50/90/228355090.db2.gz OXZFRHZNKPUHAM-OAHLLOKOSA-N 0 3 305.809 3.215 10 10 DGCEHN Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000180126086 228355091 /nfs/dbraw/zinc/35/50/91/228355091.db2.gz OXZFRHZNKPUHAM-OAHLLOKOSA-N 0 3 305.809 3.215 10 10 DGCEHN COc1cccc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000122791748 431844059 /nfs/dbraw/zinc/84/40/59/431844059.db2.gz CTBRENDRPWOOOK-OAHLLOKOSA-N 0 3 315.417 3.088 10 10 DGCEHN COc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000122791748 431844062 /nfs/dbraw/zinc/84/40/62/431844062.db2.gz CTBRENDRPWOOOK-OAHLLOKOSA-N 0 3 315.417 3.088 10 10 DGCEHN COc1cccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000122791748 431844063 /nfs/dbraw/zinc/84/40/63/431844063.db2.gz CTBRENDRPWOOOK-OAHLLOKOSA-N 0 3 315.417 3.088 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000248491865 432296845 /nfs/dbraw/zinc/29/68/45/432296845.db2.gz IXMSDKDPYGHRFX-VBQJREDUSA-N 0 3 307.459 3.406 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996623 432552703 /nfs/dbraw/zinc/55/27/03/432552703.db2.gz XQZKRKAVVIPPFZ-KBPBESRZSA-N 0 3 314.433 3.081 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C12CCOCC2 ZINC000186304989 432578883 /nfs/dbraw/zinc/57/88/83/432578883.db2.gz XBFRXRIDNGRXCA-JCGIZDLHSA-N 0 3 319.445 3.325 10 10 DGCEHN COc1cc([O-])c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1OC ZINC000245537330 432839852 /nfs/dbraw/zinc/83/98/52/432839852.db2.gz IVZFWFNBTRBSSD-CXAGYDPISA-N 0 3 323.458 3.269 10 10 DGCEHN COc1cc([O-])c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1OC ZINC000245537330 432839855 /nfs/dbraw/zinc/83/98/55/432839855.db2.gz IVZFWFNBTRBSSD-CXAGYDPISA-N 0 3 323.458 3.269 10 10 DGCEHN COc1cc(O)c(CN2CCS[C@@H]3CCCC[C@H]32)cc1OC ZINC000245537330 432839859 /nfs/dbraw/zinc/83/98/59/432839859.db2.gz IVZFWFNBTRBSSD-CXAGYDPISA-N 0 3 323.458 3.269 10 10 DGCEHN c1coc(C2=CCCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000367688823 434554679 /nfs/dbraw/zinc/55/46/79/434554679.db2.gz SRSVPKLBDOJMMO-UHFFFAOYSA-N 0 3 324.424 3.406 10 10 DGCEHN Cc1cc(Cl)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000180393210 524866284 /nfs/dbraw/zinc/86/62/84/524866284.db2.gz LORYJXAUFJQYLO-AWEZNQCLSA-N 0 3 308.853 3.272 10 10 DGCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H](c2ccco2)N(C)C)c1[O-] ZINC000181617257 524868463 /nfs/dbraw/zinc/86/84/63/524868463.db2.gz KBWVUUCPQYTJOZ-CQSZACIVSA-N 0 3 308.809 3.340 10 10 DGCEHN CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccccc2[O-])CCCC1 ZINC000111389077 620706059 /nfs/dbraw/zinc/70/60/59/620706059.db2.gz ODSDEOGMXSFVTE-UHFFFAOYSA-N 0 3 320.433 3.319 10 10 DGCEHN COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185098190 660201903 /nfs/dbraw/zinc/20/19/03/660201903.db2.gz XTLAVOMWXHCVOX-SUMWQHHRSA-N 0 3 301.386 3.093 10 10 DGCEHN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1OC)c1ccccc1[O-] ZINC000186122873 660267963 /nfs/dbraw/zinc/26/79/63/660267963.db2.gz UCRLXNSAVQWMSJ-WBVHZDCISA-N 0 3 301.386 3.175 10 10 DGCEHN c1cnn(-c2ccc(CNCc3ccc4c(c3)CCO4)cc2)c1 ZINC000054175296 1194758030 /nfs/dbraw/zinc/75/80/30/1194758030.db2.gz MBZLVGDYTXGOSR-UHFFFAOYSA-N 0 3 305.381 3.097 10 10 DGCEHN Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)no1 ZINC000103135118 432003943 /nfs/dbraw/zinc/00/39/43/432003943.db2.gz NGNJBDTYTPOERZ-HNNXBMFYSA-N 0 3 315.417 3.155 10 10 DGCEHN Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)no1 ZINC000103135118 432003945 /nfs/dbraw/zinc/00/39/45/432003945.db2.gz NGNJBDTYTPOERZ-HNNXBMFYSA-N 0 3 315.417 3.155 10 10 DGCEHN Cc1ccc([C@H]2C[NH2+]CCc3c(Cl)c([O-])c(O)cc32)cc1 ZINC000027187253 182464210 /nfs/dbraw/zinc/46/42/10/182464210.db2.gz HUYKVHJHQMMMOY-CQSZACIVSA-N 0 3 303.789 3.337 10 10 DGCEHN O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179554851 228352729 /nfs/dbraw/zinc/35/27/29/228352729.db2.gz LRLIWSYRPOJTEO-INIZCTEOSA-N 0 3 310.397 3.243 10 10 DGCEHN O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179554851 228352730 /nfs/dbraw/zinc/35/27/30/228352730.db2.gz LRLIWSYRPOJTEO-INIZCTEOSA-N 0 3 310.397 3.243 10 10 DGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1[O-] ZINC000179982133 228354348 /nfs/dbraw/zinc/35/43/48/228354348.db2.gz CXJNTVRTCVGARA-UHFFFAOYSA-N 0 3 305.809 3.457 10 10 DGCEHN c1coc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000093335162 431914817 /nfs/dbraw/zinc/91/48/17/431914817.db2.gz PHBZYJHMMHWQFF-SFHVURJKSA-N 0 3 312.413 3.453 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000248516740 432296460 /nfs/dbraw/zinc/29/64/60/432296460.db2.gz OYHOBVWRQLINDC-AHIWAGSCSA-N 0 3 323.458 3.106 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]1Oc1ccccc1 ZINC000248577913 432303841 /nfs/dbraw/zinc/30/38/41/432303841.db2.gz URCUZOJPNNQFTQ-BHIYHBOVSA-N 0 3 313.397 3.107 10 10 DGCEHN C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccccc1[O-] ZINC000183514631 432298377 /nfs/dbraw/zinc/29/83/77/432298377.db2.gz BOWVRNREHMPCQK-CYBMUJFWSA-N 0 3 302.393 3.444 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1 ZINC000248532166 432298634 /nfs/dbraw/zinc/29/86/34/432298634.db2.gz YHTOZPGJOFFGBG-ZQIUZPCESA-N 0 3 307.459 3.406 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293285 432579320 /nfs/dbraw/zinc/57/93/20/432579320.db2.gz IKJLFOCEMRCMGM-KBPBESRZSA-N 0 3 314.433 3.081 10 10 DGCEHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000230167503 432724644 /nfs/dbraw/zinc/72/46/44/432724644.db2.gz RWSIQEQZUHJKAG-CQSZACIVSA-N 0 3 320.433 3.047 10 10 DGCEHN Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1[O-] ZINC000282962238 433644531 /nfs/dbraw/zinc/64/45/31/433644531.db2.gz IAEUOIKRVZAEFY-CYBMUJFWSA-N 0 3 308.422 3.046 10 10 DGCEHN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000230684969 546274430 /nfs/dbraw/zinc/27/44/30/546274430.db2.gz AILHQXKBDJHKDC-HIFRSBDPSA-N 0 3 320.433 3.175 10 10 DGCEHN Oc1cc2c(cc1CN1CCN(c3cccs3)CC1)CCC2 ZINC000121659721 622170320 /nfs/dbraw/zinc/17/03/20/622170320.db2.gz XRIKPGVPPJSEGA-UHFFFAOYSA-N 0 3 314.454 3.265 10 10 DGCEHN C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc(F)ccc1[O-] ZINC000186080422 660265141 /nfs/dbraw/zinc/26/51/41/660265141.db2.gz PVUJDRYCCWOQCD-GFCCVEGCSA-N 0 3 300.333 3.133 10 10 DGCEHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccc1[O-] ZINC000700744070 660634491 /nfs/dbraw/zinc/63/44/91/660634491.db2.gz KLKSSYIJQPRCBZ-KCQAQPDRSA-N 0 3 320.433 3.441 10 10 DGCEHN COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179557651 655908812 /nfs/dbraw/zinc/90/88/12/655908812.db2.gz SXEVPSWQUWZKML-OAHLLOKOSA-N 0 3 313.397 3.204 10 10 DGCEHN COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179557651 655908813 /nfs/dbraw/zinc/90/88/13/655908813.db2.gz SXEVPSWQUWZKML-OAHLLOKOSA-N 0 3 313.397 3.204 10 10 DGCEHN C[C@H]([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000381377009 685156761 /nfs/dbraw/zinc/15/67/61/685156761.db2.gz OGUCVNHWRMXANR-AVGNSLFASA-N 0 3 308.422 3.345 10 10 DGCEHN CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000109844841 431178029 /nfs/dbraw/zinc/17/80/29/431178029.db2.gz LADKBICXMKZTOI-GOSISDBHSA-N 0 3 320.433 3.175 10 10 DGCEHN Cc1ccc([C@@H]2C[NH2+]CCc3c(Cl)c([O-])c(O)cc32)cc1 ZINC000002567372 431258818 /nfs/dbraw/zinc/25/88/18/431258818.db2.gz HUYKVHJHQMMMOY-AWEZNQCLSA-N 0 3 303.789 3.337 10 10 DGCEHN Oc1cc2c(cc1O)[C@@H](COc1ccc(Cl)cc1)NCC2 ZINC000031541360 431757841 /nfs/dbraw/zinc/75/78/41/431757841.db2.gz GVALVWDQPXGPCE-CQSZACIVSA-N 0 3 305.761 3.017 10 10 in-man DGCEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ccc(N(C)C)cc1 ZINC000122724517 431842852 /nfs/dbraw/zinc/84/28/52/431842852.db2.gz UXRJQUVTPQNCQC-SFHVURJKSA-N 0 3 312.461 3.440 10 10 DGCEHN CCOc1ccc(O)c(CN2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000123086669 431853987 /nfs/dbraw/zinc/85/39/87/431853987.db2.gz RZEPLHNFGKTZAL-INIZCTEOSA-N 0 3 315.417 3.133 10 10 DGCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000123086669 431853990 /nfs/dbraw/zinc/85/39/90/431853990.db2.gz RZEPLHNFGKTZAL-INIZCTEOSA-N 0 3 315.417 3.133 10 10 DGCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000123086669 431853992 /nfs/dbraw/zinc/85/39/92/431853992.db2.gz RZEPLHNFGKTZAL-INIZCTEOSA-N 0 3 315.417 3.133 10 10 DGCEHN C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccccc1[O-] ZINC000183514612 432298833 /nfs/dbraw/zinc/29/88/33/432298833.db2.gz BOWVRNREHMPCQK-ZDUSSCGKSA-N 0 3 302.393 3.444 10 10 DGCEHN C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc2c(cc1[O-])CCCC2 ZINC000251854423 432372059 /nfs/dbraw/zinc/37/20/59/432372059.db2.gz NTCZFLIMFJBCJR-FRXJQCMVSA-N 0 3 301.430 3.489 10 10 DGCEHN COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185096583 432464708 /nfs/dbraw/zinc/46/47/08/432464708.db2.gz LMPUZCKJBFFBRX-DYVFJYSZSA-N 0 3 301.386 3.093 10 10 DGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000186031505 432555139 /nfs/dbraw/zinc/55/51/39/432555139.db2.gz SUVLLPHYOKVDAK-CYBMUJFWSA-N 0 3 318.442 3.233 10 10 DGCEHN COc1cc(O)c(CN2CCC[C@@H]2c2ccco2)cc1OC ZINC000160206731 432710474 /nfs/dbraw/zinc/71/04/74/432710474.db2.gz YSZNHBHZXBEUME-CYBMUJFWSA-N 0 3 303.358 3.340 10 10 DGCEHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N(C)C(=O)OC(C)(C)C ZINC000296389723 341718114 /nfs/dbraw/zinc/71/81/14/341718114.db2.gz JTGDBHMPXGFQHI-TZMCWYRMSA-N 0 3 320.433 3.225 10 10 DGCEHN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000230684966 518832131 /nfs/dbraw/zinc/83/21/31/518832131.db2.gz AILHQXKBDJHKDC-ZFWWWQNUSA-N 0 3 320.433 3.175 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@H]3CCCO3)c2c1 ZINC000151740982 620472387 /nfs/dbraw/zinc/47/23/87/620472387.db2.gz YHDBGMSNMUTOMI-OAHLLOKOSA-N 0 3 301.386 3.165 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@H]3CCCO3)c2c1 ZINC000151740982 620472388 /nfs/dbraw/zinc/47/23/88/620472388.db2.gz YHDBGMSNMUTOMI-OAHLLOKOSA-N 0 3 301.386 3.165 10 10 DGCEHN CC[C@@H]1[C@@H]([NH2+]Cc2ccccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000704613957 660813281 /nfs/dbraw/zinc/81/32/81/660813281.db2.gz FOYRSMVOZRFGSG-LSDHHAIUSA-N 0 3 320.433 3.270 10 10 DGCEHN C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000715081293 661208288 /nfs/dbraw/zinc/20/82/88/661208288.db2.gz OKWIASASWIMLBA-IYXRBSQSSA-N 0 3 320.433 3.346 10 10 DGCEHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC000381377008 685156653 /nfs/dbraw/zinc/15/66/53/685156653.db2.gz OGUCVNHWRMXANR-AGIUHOORSA-N 0 3 308.422 3.345 10 10 DGCEHN COc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000246796167 432166239 /nfs/dbraw/zinc/16/62/39/432166239.db2.gz QQEDAJIBORUFLU-LSDHHAIUSA-N 0 3 317.385 3.082 10 10 DGCEHN COc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000246796167 432166244 /nfs/dbraw/zinc/16/62/44/432166244.db2.gz QQEDAJIBORUFLU-LSDHHAIUSA-N 0 3 317.385 3.082 10 10 DGCEHN C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000179884725 228353707 /nfs/dbraw/zinc/35/37/07/228353707.db2.gz LWFACQQGHGSHBN-YOEHRIQHSA-N 0 3 310.397 3.238 10 10 DGCEHN C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1[O-] ZINC000183556309 228374503 /nfs/dbraw/zinc/37/45/03/228374503.db2.gz QWGZGUNXKAUYGF-CHWSQXEVSA-N 0 3 317.820 3.370 10 10 DGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c1 ZINC000185877981 228399376 /nfs/dbraw/zinc/39/93/76/228399376.db2.gz GIGJCYNMJHDDFG-UKRRQHHQSA-N 0 3 310.397 3.477 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccs2)c([O-])c1 ZINC000186031841 432555173 /nfs/dbraw/zinc/55/51/73/432555173.db2.gz ZDFIHVCCAMEGGL-ZDUSSCGKSA-N 0 3 318.442 3.233 10 10 DGCEHN CC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1[O-] ZINC000186325523 432582764 /nfs/dbraw/zinc/58/27/64/432582764.db2.gz WKMKCIISZPDSAJ-DZGCQCFKSA-N 0 3 314.433 3.163 10 10 DGCEHN C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cc2c(cc1[O-])CCCC2 ZINC000187289278 432655596 /nfs/dbraw/zinc/65/55/96/432655596.db2.gz NTCZFLIMFJBCJR-QZSAOPTASA-N 0 3 301.430 3.489 10 10 DGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000245872741 432867044 /nfs/dbraw/zinc/86/70/44/432867044.db2.gz SBARPEQMOQUNOB-KGLIPLIRSA-N 0 3 313.850 3.060 10 10 DGCEHN Cc1cc(Cl)cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000245872741 432867046 /nfs/dbraw/zinc/86/70/46/432867046.db2.gz SBARPEQMOQUNOB-KGLIPLIRSA-N 0 3 313.850 3.060 10 10 DGCEHN C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1[O-] ZINC000185879791 533864865 /nfs/dbraw/zinc/86/48/65/533864865.db2.gz XADZEZJFXBHSPZ-FZMZJTMJSA-N 0 3 314.360 3.308 10 10 DGCEHN CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180120393 522595246 /nfs/dbraw/zinc/59/52/46/522595246.db2.gz LDYNGTXGDTWPBM-OAHLLOKOSA-N 0 3 303.381 3.127 10 10 DGCEHN CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180120393 522595256 /nfs/dbraw/zinc/59/52/56/522595256.db2.gz LDYNGTXGDTWPBM-OAHLLOKOSA-N 0 3 303.381 3.127 10 10 DGCEHN COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185098161 660201888 /nfs/dbraw/zinc/20/18/88/660201888.db2.gz XTLAVOMWXHCVOX-GUYCJALGSA-N 0 3 301.386 3.093 10 10 DGCEHN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185560072 660229894 /nfs/dbraw/zinc/22/98/94/660229894.db2.gz MZWGWLUOXWTRQT-WDEREUQCSA-N 0 3 305.397 3.163 10 10 DGCEHN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1ccccc1[O-] ZINC000186122908 660267875 /nfs/dbraw/zinc/26/78/75/660267875.db2.gz UCRLXNSAVQWMSJ-NVXWUHKLSA-N 0 3 301.386 3.175 10 10 DGCEHN CN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310155935 655891867 /nfs/dbraw/zinc/89/18/67/655891867.db2.gz QDWZZWWCQVKIOK-GOSISDBHSA-N 0 3 324.428 3.007 10 10 DGCEHN CCN(CC)c1ccc(CN2CCC([C@@H](C)O)CC2)cc1F ZINC000092969840 656258308 /nfs/dbraw/zinc/25/83/08/656258308.db2.gz JHTYUMPNHYXVQG-CQSZACIVSA-N 0 3 308.441 3.265 10 10 DGCEHN C[C@H](NCc1ccc(CO)c(F)c1)c1ccc(N(C)C)cc1 ZINC000178562128 656847912 /nfs/dbraw/zinc/84/79/12/656847912.db2.gz GACUYPPOVGNNNI-ZDUSSCGKSA-N 0 3 302.393 3.235 10 10 DGCEHN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN3CCC2CC3)cc1 ZINC000188853780 661947768 /nfs/dbraw/zinc/94/77/68/661947768.db2.gz KFTHTBBXSAAVNQ-UHFFFAOYSA-N 0 3 323.440 3.014 10 10 DGCEHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000189520901 661980916 /nfs/dbraw/zinc/98/09/16/661980916.db2.gz VKDSPHKENGNHLX-HIFRSBDPSA-N 0 3 320.433 3.270 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C)[C@@H](OC)C3)c2c1 ZINC000190188577 662022308 /nfs/dbraw/zinc/02/23/08/662022308.db2.gz XICPVVLCPDKUTQ-YJYMSZOUSA-N 0 3 315.413 3.411 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C)[C@@H](OC)C3)c2c1 ZINC000190188577 662022311 /nfs/dbraw/zinc/02/23/11/662022311.db2.gz XICPVVLCPDKUTQ-YJYMSZOUSA-N 0 3 315.413 3.411 10 10 DGCEHN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000381377013 685156683 /nfs/dbraw/zinc/15/66/83/685156683.db2.gz OGUCVNHWRMXANR-XQQFMLRXSA-N 0 3 308.422 3.345 10 10 DGCEHN CCOc1cccc(CN2CCCC[C@@H]2c2cn[nH]c2)c1O ZINC000093438149 193251324 /nfs/dbraw/zinc/25/13/24/193251324.db2.gz MFNPHWNGVCIOFN-OAHLLOKOSA-N 0 3 301.390 3.241 10 10 DGCEHN Nc1ccc(CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000020192427 182196219 /nfs/dbraw/zinc/19/62/19/182196219.db2.gz KRTMLVSRCYLHLT-UHFFFAOYSA-N 0 3 309.457 3.019 10 10 DGCEHN C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000283187799 533409182 /nfs/dbraw/zinc/40/91/82/533409182.db2.gz KICITJKRFQYRCW-CHWSQXEVSA-N 0 3 308.422 3.298 10 10 DGCEHN Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)n1 ZINC000183518000 228374542 /nfs/dbraw/zinc/37/45/42/228374542.db2.gz JXHDCIQBRTVJHA-HNNXBMFYSA-N 0 3 311.429 3.415 10 10 DGCEHN C[C@H](NCc1cccnc1-n1ccnc1)c1ccc(N(C)C)cc1 ZINC000151494055 432251119 /nfs/dbraw/zinc/25/11/19/432251119.db2.gz FQZWOPXHBNZVQI-HNNXBMFYSA-N 0 3 321.428 3.184 10 10 DGCEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c([O-])c1 ZINC000186293826 432578955 /nfs/dbraw/zinc/57/89/55/432578955.db2.gz KQYRFGMAHBVWCZ-ZIAGYGMSSA-N 0 3 314.433 3.081 10 10 DGCEHN c1ccc([C@@H](NCc2ccc3c(c2)CCO3)[C@@H]2CCOC2)cc1 ZINC000374472552 433200961 /nfs/dbraw/zinc/20/09/61/433200961.db2.gz QMYRATIGSGFCOT-UYAOXDASSA-N 0 3 309.409 3.489 10 10 DGCEHN C[C@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000283187802 433686895 /nfs/dbraw/zinc/68/68/95/433686895.db2.gz KICITJKRFQYRCW-STQMWFEESA-N 0 3 308.422 3.298 10 10 DGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(c3ccnn3C)CC2)c1[O-] ZINC000179981536 524862781 /nfs/dbraw/zinc/86/27/81/524862781.db2.gz HVKGSTAXJNUPLA-UHFFFAOYSA-N 0 3 319.836 3.467 10 10 DGCEHN Cc1cc(Cl)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000180393187 524863581 /nfs/dbraw/zinc/86/35/81/524863581.db2.gz LORYJXAUFJQYLO-CQSZACIVSA-N 0 3 308.853 3.272 10 10 DGCEHN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000230684977 546275282 /nfs/dbraw/zinc/27/52/82/546275282.db2.gz AILHQXKBDJHKDC-UKRRQHHQSA-N 0 3 320.433 3.175 10 10 DGCEHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(-n2cncn2)cc1 ZINC000153959185 620627269 /nfs/dbraw/zinc/62/72/69/620627269.db2.gz CNTPUJJWZPERGC-KBPBESRZSA-N 0 3 308.385 3.385 10 10 DGCEHN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185559645 660229832 /nfs/dbraw/zinc/22/98/32/660229832.db2.gz GQZXTGZTHYWXRZ-CHWSQXEVSA-N 0 3 301.434 3.333 10 10 DGCEHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000700753165 660633016 /nfs/dbraw/zinc/63/30/16/660633016.db2.gz SQMWXUHNGBGJPC-RISCZKNCSA-N 0 3 324.396 3.019 10 10 DGCEHN C[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1[O-] ZINC000185091931 656123491 /nfs/dbraw/zinc/12/34/91/656123491.db2.gz PXQJSGZRIIMUSS-RHSMWYFYSA-N 0 3 316.420 3.355 10 10 DGCEHN C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccccc1[O-] ZINC000179873219 659944903 /nfs/dbraw/zinc/94/49/03/659944903.db2.gz TWBHBMKPPQNRBU-AWEZNQCLSA-N 0 3 310.397 3.022 10 10 DGCEHN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000180392177 659961556 /nfs/dbraw/zinc/96/15/56/659961556.db2.gz YRNTZYOMHOVQMM-DZGCQCFKSA-N 0 3 320.433 3.127 10 10 DGCEHN CN(Cc1cc(Cl)cc(Cl)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746581 661832626 /nfs/dbraw/zinc/83/26/26/661832626.db2.gz MKEKQAXECZUKIR-FUNVUKJBSA-N 0 3 315.244 3.414 10 10 DGCEHN CCOc1ccc(O)c(CN[C@H](C)c2ccncc2OC)c1 ZINC000189559629 661981719 /nfs/dbraw/zinc/98/17/19/661981719.db2.gz RTAWWCSSUHVIEV-GFCCVEGCSA-N 0 3 302.374 3.045 10 10 DGCEHN Cc1noc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000179755932 432069860 /nfs/dbraw/zinc/06/98/60/432069860.db2.gz MXLGBGGAAKXEEZ-GFCCVEGCSA-N 0 3 321.808 3.425 10 10 DGCEHN Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000179755932 432069863 /nfs/dbraw/zinc/06/98/63/432069863.db2.gz MXLGBGGAAKXEEZ-GFCCVEGCSA-N 0 3 321.808 3.425 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c([O-])c1 ZINC000248532164 432298112 /nfs/dbraw/zinc/29/81/12/432298112.db2.gz YHTOZPGJOFFGBG-VBQJREDUSA-N 0 3 307.459 3.406 10 10 DGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293263 432579548 /nfs/dbraw/zinc/57/95/48/432579548.db2.gz IKJLFOCEMRCMGM-KGLIPLIRSA-N 0 3 314.433 3.081 10 10 DGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000245872237 432867111 /nfs/dbraw/zinc/86/71/11/432867111.db2.gz RWRJCFTWODZKIQ-RHSMWYFYSA-N 0 3 317.385 3.082 10 10 DGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000245872237 432867113 /nfs/dbraw/zinc/86/71/13/432867113.db2.gz RWRJCFTWODZKIQ-RHSMWYFYSA-N 0 3 317.385 3.082 10 10 DGCEHN CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000155648048 522828718 /nfs/dbraw/zinc/82/87/18/522828718.db2.gz CWLJGQPKWIWQPC-CQSZACIVSA-N 0 3 308.422 3.348 10 10 DGCEHN Cc1cc(CCNCc2ccn(C)n2)c(C)n1-c1ccccc1 ZINC000727465781 576127237 /nfs/dbraw/zinc/12/72/37/576127237.db2.gz RZWGICKNXWQNGA-UHFFFAOYSA-N 0 3 308.429 3.160 10 10 DGCEHN CCN(CC)c1ccc(CN2CCC([C@H](C)O)CC2)cc1F ZINC000092969842 656258153 /nfs/dbraw/zinc/25/81/53/656258153.db2.gz JHTYUMPNHYXVQG-AWEZNQCLSA-N 0 3 308.441 3.265 10 10 DGCEHN C[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(N(C)C)cc1 ZINC000178562139 656848263 /nfs/dbraw/zinc/84/82/63/656848263.db2.gz GACUYPPOVGNNNI-CYBMUJFWSA-N 0 3 302.393 3.235 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](C)[C@H](OC)C3)c2c1 ZINC000249968631 657442212 /nfs/dbraw/zinc/44/22/12/657442212.db2.gz XICPVVLCPDKUTQ-BFUOFWGJSA-N 0 3 315.413 3.411 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](C)[C@H](OC)C3)c2c1 ZINC000249968631 657442215 /nfs/dbraw/zinc/44/22/15/657442215.db2.gz XICPVVLCPDKUTQ-BFUOFWGJSA-N 0 3 315.413 3.411 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@@H](C)C3)c2c1 ZINC000171606550 659291084 /nfs/dbraw/zinc/29/10/84/659291084.db2.gz XOPHZTMBADZEIZ-LBPRGKRZSA-N 0 3 303.427 3.491 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@@H](C)C3)c2c1 ZINC000171606550 659291087 /nfs/dbraw/zinc/29/10/87/659291087.db2.gz XOPHZTMBADZEIZ-LBPRGKRZSA-N 0 3 303.427 3.491 10 10 DGCEHN COc1ccc2ccc([O-])c(C[NH+]3CCC([C@H](C)O)CC3)c2c1 ZINC000158608220 661875203 /nfs/dbraw/zinc/87/52/03/661875203.db2.gz FFIKCEKEKZEUCB-ZDUSSCGKSA-N 0 3 315.413 3.147 10 10 DGCEHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000381377011 685156640 /nfs/dbraw/zinc/15/66/40/685156640.db2.gz OGUCVNHWRMXANR-UPJWGTAASA-N 0 3 308.422 3.345 10 10 DGCEHN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000381799820 685160153 /nfs/dbraw/zinc/16/01/53/685160153.db2.gz UDFFUBYBVZUDEW-SGMGOOAPSA-N 0 3 320.433 3.271 10 10 DGCEHN C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1[O-] ZINC000183562394 533543337 /nfs/dbraw/zinc/54/33/37/533543337.db2.gz MCALKBGYTBLMMO-ZBFHGGJFSA-N 0 3 316.445 3.224 10 10 DGCEHN COc1ccc(N(CCN2CCCC2)Cc2ccccn2)cc1 ZINC000002012483 400081467 /nfs/dbraw/zinc/08/14/67/400081467.db2.gz IVGQOXLSSOMKAB-UHFFFAOYSA-N 0 3 311.429 3.193 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2[O-])C12CCOCC2 ZINC000248544581 286288842 /nfs/dbraw/zinc/28/88/42/286288842.db2.gz DPXQHJOQHMZNNR-CGTJXYLNSA-N 0 3 319.445 3.407 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000248484990 286339169 /nfs/dbraw/zinc/33/91/69/286339169.db2.gz DRIIXEFLHLYROU-RRQGHBQHSA-N 0 3 315.417 3.432 10 10 DGCEHN Cc1cc([O-])c(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1C ZINC000185694033 228396135 /nfs/dbraw/zinc/39/61/35/228396135.db2.gz DOURKQYYAMKCNC-UHFFFAOYSA-N 0 3 311.429 3.116 10 10 DGCEHN Cc1cc([O-])c(C[N@H+]2CCCN(c3ccccn3)CC2)cc1C ZINC000185694033 228396137 /nfs/dbraw/zinc/39/61/37/228396137.db2.gz DOURKQYYAMKCNC-UHFFFAOYSA-N 0 3 311.429 3.116 10 10 DGCEHN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)ccc1[O-] ZINC000248521684 432298420 /nfs/dbraw/zinc/29/84/20/432298420.db2.gz ROJDQMRYXHRTCR-GHJWDPDVSA-N 0 3 311.422 3.237 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C12CCOCC2 ZINC000248653699 432309831 /nfs/dbraw/zinc/30/98/31/432309831.db2.gz ZFEVIATYQLSQJC-CSMYWGQOSA-N 0 3 323.408 3.156 10 10 DGCEHN C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1[O-] ZINC000185879756 432541906 /nfs/dbraw/zinc/54/19/06/432541906.db2.gz XADZEZJFXBHSPZ-SMDDNHRTSA-N 0 3 314.360 3.308 10 10 DGCEHN C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000223662006 432678443 /nfs/dbraw/zinc/67/84/43/432678443.db2.gz BWPHXUJIGOQNKA-UONOGXRCSA-N 0 3 320.433 3.300 10 10 DGCEHN CCCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([O-])c1 ZINC000245707349 432857498 /nfs/dbraw/zinc/85/74/98/432857498.db2.gz FGWCLHMTEHWYBV-MAUKXSAKSA-N 0 3 305.418 3.182 10 10 DGCEHN CCCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c([O-])c1 ZINC000245707349 432857500 /nfs/dbraw/zinc/85/75/00/432857500.db2.gz FGWCLHMTEHWYBV-MAUKXSAKSA-N 0 3 305.418 3.182 10 10 DGCEHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000180331716 524865017 /nfs/dbraw/zinc/86/50/17/524865017.db2.gz OZBITVGYLFRLFF-GFCCVEGCSA-N 0 3 305.809 3.077 10 10 DGCEHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000180331716 524865030 /nfs/dbraw/zinc/86/50/30/524865030.db2.gz OZBITVGYLFRLFF-GFCCVEGCSA-N 0 3 305.809 3.077 10 10 DGCEHN C[C@H](NCC1(C)OCCCO1)c1ccc(N2CCCCC2)cc1 ZINC000190660833 525316239 /nfs/dbraw/zinc/31/62/39/525316239.db2.gz NUWWBMNJSGJUFS-INIZCTEOSA-N 0 3 318.461 3.481 10 10 DGCEHN C[C@@H](NCC1(C)OCCCO1)c1ccc(N2CCCCC2)cc1 ZINC000190660857 525419285 /nfs/dbraw/zinc/41/92/85/525419285.db2.gz NUWWBMNJSGJUFS-MRXNPFEDSA-N 0 3 318.461 3.481 10 10 DGCEHN COc1cc(Br)cc([C@H]([NH3+])c2ccccc2)c1[O-] ZINC000757132603 617643328 /nfs/dbraw/zinc/64/33/28/617643328.db2.gz HUZROAKGSAXSHU-CYBMUJFWSA-N 0 3 308.175 3.211 10 10 DGCEHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccc1[O-] ZINC000700744071 660634426 /nfs/dbraw/zinc/63/44/26/660634426.db2.gz KLKSSYIJQPRCBZ-VNHYZAJKSA-N 0 3 320.433 3.441 10 10 DGCEHN C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1[O-] ZINC000721892830 658803020 /nfs/dbraw/zinc/80/30/20/658803020.db2.gz XTVZAHWMOAKODY-UMVBOHGHSA-N 0 3 320.433 3.298 10 10 DGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c1[O-] ZINC000188420537 661930364 /nfs/dbraw/zinc/93/03/64/661930364.db2.gz FHKASRIIABWICC-OAHLLOKOSA-N 0 3 305.809 3.215 10 10 DGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1[O-] ZINC000188420537 661930366 /nfs/dbraw/zinc/93/03/66/661930366.db2.gz FHKASRIIABWICC-OAHLLOKOSA-N 0 3 305.809 3.215 10 10 DGCEHN Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)no1 ZINC000103135116 432003700 /nfs/dbraw/zinc/00/37/00/432003700.db2.gz NGNJBDTYTPOERZ-OAHLLOKOSA-N 0 3 315.417 3.155 10 10 DGCEHN Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)no1 ZINC000103135116 432003702 /nfs/dbraw/zinc/00/37/02/432003702.db2.gz NGNJBDTYTPOERZ-OAHLLOKOSA-N 0 3 315.417 3.155 10 10 DGCEHN CCOc1ccc(O)c(CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438414 193253291 /nfs/dbraw/zinc/25/32/91/193253291.db2.gz SLVTWTJWFBHNRL-MRXNPFEDSA-N 0 3 301.390 3.241 10 10 DGCEHN COc1ccc(N2N=C(C)C(=C(C)NC(C)(C)C)C2=O)cc1 ZINC000017030706 182068799 /nfs/dbraw/zinc/06/87/99/182068799.db2.gz VAPLADCTUHCAOY-RVDMUPIBSA-N 0 3 301.390 3.080 10 10 DGCEHN Cc1cc(Cl)cc(CN2CCC[C@H]2c2cnn(C)c2)c1O ZINC000180053203 228354256 /nfs/dbraw/zinc/35/42/56/228354256.db2.gz MKFNQUPOWQGQNG-HNNXBMFYSA-N 0 3 305.809 3.425 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000185340485 228391339 /nfs/dbraw/zinc/39/13/39/228391339.db2.gz JFAKPOMXZHZKFD-ZDUSSCGKSA-N 0 3 308.422 3.266 10 10 DGCEHN C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1[O-] ZINC000185879774 228399344 /nfs/dbraw/zinc/39/93/44/228399344.db2.gz XADZEZJFXBHSPZ-BXUZGUMPSA-N 0 3 314.360 3.308 10 10 DGCEHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c([O-])c1 ZINC000185879307 228399362 /nfs/dbraw/zinc/39/93/62/228399362.db2.gz HDKPTELCBCGYIV-CZUORRHYSA-N 0 3 310.397 3.477 10 10 DGCEHN C[C@@H](NCc1cccnc1-n1ccnc1)c1ccc(N(C)C)cc1 ZINC000151494124 432250278 /nfs/dbraw/zinc/25/02/78/432250278.db2.gz FQZWOPXHBNZVQI-OAHLLOKOSA-N 0 3 321.428 3.184 10 10 DGCEHN CCOc1cccc(CN2CCC[C@H](n3cc(C)cn3)C2)c1O ZINC000123022334 431852636 /nfs/dbraw/zinc/85/26/36/431852636.db2.gz MTZQSSASUXPRJK-INIZCTEOSA-N 0 3 315.417 3.133 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C12CCOCC2 ZINC000186303215 432580191 /nfs/dbraw/zinc/58/01/91/432580191.db2.gz KUIMHLMBYZODSV-RRQGHBQHSA-N 0 3 305.418 3.017 10 10 DGCEHN COc1ccc(O)c(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000180136145 534201007 /nfs/dbraw/zinc/20/10/07/534201007.db2.gz DXYRPTZRCDEUOH-MRXNPFEDSA-N 0 3 315.417 3.088 10 10 DGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000180136145 534201014 /nfs/dbraw/zinc/20/10/14/534201014.db2.gz DXYRPTZRCDEUOH-MRXNPFEDSA-N 0 3 315.417 3.088 10 10 DGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000180136145 534201017 /nfs/dbraw/zinc/20/10/17/534201017.db2.gz DXYRPTZRCDEUOH-MRXNPFEDSA-N 0 3 315.417 3.088 10 10 DGCEHN CC[C@@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1ccccc1[O-] ZINC000185213091 660208196 /nfs/dbraw/zinc/20/81/96/660208196.db2.gz NHFCRJVPEQFCPN-YVEFUNNKSA-N 0 3 301.434 3.414 10 10 DGCEHN Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186228137 660350429 /nfs/dbraw/zinc/35/04/29/660350429.db2.gz YTXLJPTUIKVKGV-NSHDSACASA-N 0 3 305.397 3.165 10 10 DGCEHN Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186228156 660350436 /nfs/dbraw/zinc/35/04/36/660350436.db2.gz YTXLJPTUIKVKGV-LLVKDONJSA-N 0 3 305.397 3.165 10 10 DGCEHN CCCN(CCC)c1ccc(CN2CCC[C@@H]2C(=O)NC)cc1 ZINC000092099532 662327599 /nfs/dbraw/zinc/32/75/99/662327599.db2.gz JMKJVOVQTFLEOX-GOSISDBHSA-N 0 3 317.477 3.023 10 10 DGCEHN CCn1cc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)cn1 ZINC000092809100 185342997 /nfs/dbraw/zinc/34/29/97/185342997.db2.gz JGVLCWVDWVTXPN-UHFFFAOYSA-N 0 3 312.461 3.349 10 10 DGCEHN Cc1ccc2oc(N3CCN(Cc4ccccc4O)CC3)nc2c1 ZINC000179571525 432063015 /nfs/dbraw/zinc/06/30/15/432063015.db2.gz JGGISXUWFZQGOF-UHFFFAOYSA-N 0 3 323.396 3.164 10 10 DGCEHN Cc1ccc([O-])c(C[NH2+]CCc2nc3c(cccc3F)n2C)c1 ZINC000113358826 431345364 /nfs/dbraw/zinc/34/53/64/431345364.db2.gz SQZMKTXLGFCFJU-UHFFFAOYSA-N 0 3 313.376 3.059 10 10 DGCEHN COc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1[O-] ZINC000092788820 431911624 /nfs/dbraw/zinc/91/16/24/431911624.db2.gz UQIWHXFNXCPOCN-CYBMUJFWSA-N 0 3 304.415 3.237 10 10 DGCEHN COc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1[O-] ZINC000092788820 431911627 /nfs/dbraw/zinc/91/16/27/431911627.db2.gz UQIWHXFNXCPOCN-CYBMUJFWSA-N 0 3 304.415 3.237 10 10 DGCEHN CCOc1cccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000092757912 431912125 /nfs/dbraw/zinc/91/21/25/431912125.db2.gz MHXMBHALPNZUCV-QGZVFWFLSA-N 0 3 312.413 3.477 10 10 DGCEHN CCOc1cccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000092757912 431912126 /nfs/dbraw/zinc/91/21/26/431912126.db2.gz MHXMBHALPNZUCV-QGZVFWFLSA-N 0 3 312.413 3.477 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000192709254 432404221 /nfs/dbraw/zinc/40/42/21/432404221.db2.gz IGVFTDBZADKMCP-HNNXBMFYSA-N 0 3 311.429 3.415 10 10 DGCEHN COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185096610 432465968 /nfs/dbraw/zinc/46/59/68/432465968.db2.gz LMPUZCKJBFFBRX-GUYCJALGSA-N 0 3 301.386 3.093 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C12CCOCC2 ZINC000186311150 432581341 /nfs/dbraw/zinc/58/13/41/432581341.db2.gz ZFEVIATYQLSQJC-AFAVFJNCSA-N 0 3 323.408 3.156 10 10 DGCEHN Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3ccccc3[O-])C2=O)c(C)c1 ZINC000188942621 524276873 /nfs/dbraw/zinc/27/68/73/524276873.db2.gz CWDPYCWIYVIJNF-QGZVFWFLSA-N 0 3 324.424 3.213 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@H+](C)C[C@@H]3CCCO3)c2c1 ZINC000151740867 620472224 /nfs/dbraw/zinc/47/22/24/620472224.db2.gz YHDBGMSNMUTOMI-HNNXBMFYSA-N 0 3 301.386 3.165 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@@H+](C)C[C@@H]3CCCO3)c2c1 ZINC000151740867 620472227 /nfs/dbraw/zinc/47/22/27/620472227.db2.gz YHDBGMSNMUTOMI-HNNXBMFYSA-N 0 3 301.386 3.165 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c([O-])c1 ZINC000185319486 660215439 /nfs/dbraw/zinc/21/54/39/660215439.db2.gz PFYCPRGBVASFHP-ZDUSSCGKSA-N 0 3 303.406 3.490 10 10 DGCEHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCSC2)c1[O-] ZINC000704800773 660820581 /nfs/dbraw/zinc/82/05/81/660820581.db2.gz YKUJDZQZNXOCKG-JTQLQIEISA-N 0 3 301.839 3.287 10 10 DGCEHN CC(C)(C)OC(=O)NC[C@H]1CCCN1Cc1cc(F)ccc1O ZINC000180218056 659955907 /nfs/dbraw/zinc/95/59/07/659955907.db2.gz QRXSHMWOIAZCMZ-CQSZACIVSA-N 0 3 324.396 3.020 10 10 DGCEHN CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180218056 659955908 /nfs/dbraw/zinc/95/59/08/659955908.db2.gz QRXSHMWOIAZCMZ-CQSZACIVSA-N 0 3 324.396 3.020 10 10 DGCEHN CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180218056 659955909 /nfs/dbraw/zinc/95/59/09/659955909.db2.gz QRXSHMWOIAZCMZ-CQSZACIVSA-N 0 3 324.396 3.020 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C12CCOCC2 ZINC000186305022 286288321 /nfs/dbraw/zinc/28/83/21/286288321.db2.gz XBFRXRIDNGRXCA-BMGDILEWSA-N 0 3 319.445 3.325 10 10 DGCEHN C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000176981379 228323079 /nfs/dbraw/zinc/32/30/79/228323079.db2.gz NJTVFJJHXQXRBT-CXAGYDPISA-N 0 3 302.393 3.485 10 10 DGCEHN Oc1cc2c(cc1O)[C@H](COc1ccc(Cl)cc1)NCC2 ZINC000031541355 431758790 /nfs/dbraw/zinc/75/87/90/431758790.db2.gz GVALVWDQPXGPCE-AWEZNQCLSA-N 0 3 305.761 3.017 10 10 in-man DGCEHN COc1cccc(CN2CCC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000122791573 431844292 /nfs/dbraw/zinc/84/42/92/431844292.db2.gz CTBRENDRPWOOOK-HNNXBMFYSA-N 0 3 315.417 3.088 10 10 DGCEHN COc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000122791573 431844294 /nfs/dbraw/zinc/84/42/94/431844294.db2.gz CTBRENDRPWOOOK-HNNXBMFYSA-N 0 3 315.417 3.088 10 10 DGCEHN COc1cccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000122791573 431844296 /nfs/dbraw/zinc/84/42/96/431844296.db2.gz CTBRENDRPWOOOK-HNNXBMFYSA-N 0 3 315.417 3.088 10 10 DGCEHN CC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1[O-] ZINC000186325476 432582953 /nfs/dbraw/zinc/58/29/53/432582953.db2.gz WKMKCIISZPDSAJ-HIFRSBDPSA-N 0 3 314.433 3.163 10 10 DGCEHN C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000176981368 533994186 /nfs/dbraw/zinc/99/41/86/533994186.db2.gz NJTVFJJHXQXRBT-SUMWQHHRSA-N 0 3 302.393 3.485 10 10 DGCEHN CN(C)c1ccc(/C=C\CN(CCO)Cc2ccccc2)cc1 ZINC000033848668 620769791 /nfs/dbraw/zinc/76/97/91/620769791.db2.gz CVLYLTKTMXXSRX-TWGQIWQCSA-N 0 3 310.441 3.260 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)c2c1 ZINC000249968637 657441971 /nfs/dbraw/zinc/44/19/71/657441971.db2.gz XICPVVLCPDKUTQ-ORAYPTAESA-N 0 3 315.413 3.411 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](C)[C@H](OC)C3)c2c1 ZINC000249968637 657441974 /nfs/dbraw/zinc/44/19/74/657441974.db2.gz XICPVVLCPDKUTQ-ORAYPTAESA-N 0 3 315.413 3.411 10 10 DGCEHN CN(C)[C@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000170842935 659925486 /nfs/dbraw/zinc/92/54/86/659925486.db2.gz FSONDRLSPITNRV-ZDUSSCGKSA-N 0 3 314.429 3.153 10 10 DGCEHN CN(C)[C@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000170842935 659925487 /nfs/dbraw/zinc/92/54/87/659925487.db2.gz FSONDRLSPITNRV-ZDUSSCGKSA-N 0 3 314.429 3.153 10 10 DGCEHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CN(C(=O)OC(C)(C)C)C1 ZINC000401671439 1093963178 /nfs/dbraw/zinc/96/31/78/1093963178.db2.gz LOQKQCSSQVFEDY-UKRRQHHQSA-N 0 3 320.433 3.127 10 10 DGCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246086637 432093339 /nfs/dbraw/zinc/09/33/39/432093339.db2.gz IHJVOQNQAQSWPK-YJBOKZPZSA-N 0 3 300.446 3.149 10 10 DGCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246086637 432093343 /nfs/dbraw/zinc/09/33/43/432093343.db2.gz IHJVOQNQAQSWPK-YJBOKZPZSA-N 0 3 300.446 3.149 10 10 DGCEHN CN(C)c1ccc(CN2CCC(Nc3nccs3)CC2)cc1 ZINC000189955205 432108283 /nfs/dbraw/zinc/10/82/83/432108283.db2.gz MITVXFMINHCZME-UHFFFAOYSA-N 0 3 316.474 3.286 10 10 DGCEHN Cc1ccc([O-])c(C[NH+]2CCC(Nc3nccs3)CC2)c1 ZINC000189961159 432108767 /nfs/dbraw/zinc/10/87/67/432108767.db2.gz RCIYHGJWOIORAZ-UHFFFAOYSA-N 0 3 303.431 3.234 10 10 DGCEHN Cc1ccc(O)c(CN2CCC(Nc3nccs3)CC2)c1 ZINC000189961159 432108770 /nfs/dbraw/zinc/10/87/70/432108770.db2.gz RCIYHGJWOIORAZ-UHFFFAOYSA-N 0 3 303.431 3.234 10 10 DGCEHN C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000176981338 228323090 /nfs/dbraw/zinc/32/30/90/228323090.db2.gz NJTVFJJHXQXRBT-GUYCJALGSA-N 0 3 302.393 3.485 10 10 DGCEHN Cc1cc(Cl)cc(CN2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000180053184 228354037 /nfs/dbraw/zinc/35/40/37/228354037.db2.gz MKFNQUPOWQGQNG-OAHLLOKOSA-N 0 3 305.809 3.425 10 10 DGCEHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([O-])c1 ZINC000121256210 431762320 /nfs/dbraw/zinc/76/23/20/431762320.db2.gz WBEWWEBLCBSPSW-CQSZACIVSA-N 0 3 315.417 3.284 10 10 DGCEHN CCCOc1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c([O-])c1 ZINC000121256210 431762327 /nfs/dbraw/zinc/76/23/27/431762327.db2.gz WBEWWEBLCBSPSW-CQSZACIVSA-N 0 3 315.417 3.284 10 10 DGCEHN CCCOc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c([O-])c1 ZINC000092810926 431911555 /nfs/dbraw/zinc/91/15/55/431911555.db2.gz VUCMAWPTLYMBBV-UHFFFAOYSA-N 0 3 315.417 3.284 10 10 DGCEHN COc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1[O-] ZINC000092788819 431912164 /nfs/dbraw/zinc/91/21/64/431912164.db2.gz UQIWHXFNXCPOCN-ZDUSSCGKSA-N 0 3 304.415 3.237 10 10 DGCEHN COc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1[O-] ZINC000092788819 431912166 /nfs/dbraw/zinc/91/21/66/431912166.db2.gz UQIWHXFNXCPOCN-ZDUSSCGKSA-N 0 3 304.415 3.237 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000248529699 432298760 /nfs/dbraw/zinc/29/87/60/432298760.db2.gz WZEHTVZGWQUYOY-MZTNWIODSA-N 0 3 317.429 3.399 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])C12CCOCC2 ZINC000248647952 432309626 /nfs/dbraw/zinc/30/96/26/432309626.db2.gz UHNUVZWJZQHHBH-ZTFGCOKTSA-N 0 3 319.445 3.325 10 10 DGCEHN Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)c([O-])c1 ZINC000186031825 432554952 /nfs/dbraw/zinc/55/49/52/432554952.db2.gz ZDFIHVCCAMEGGL-CYBMUJFWSA-N 0 3 318.442 3.233 10 10 DGCEHN C[C@H](CC[NH2+][C@H]1CCc2cccc([O-])c21)NC(=O)OC(C)(C)C ZINC000297127002 432962032 /nfs/dbraw/zinc/96/20/32/432962032.db2.gz YUWSGZFQOUBFCK-OCCSQVGLSA-N 0 3 320.433 3.272 10 10 DGCEHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N(C)C(=O)OC(C)(C)C ZINC000283187800 433683907 /nfs/dbraw/zinc/68/39/07/433683907.db2.gz KICITJKRFQYRCW-OLZOCXBDSA-N 0 3 308.422 3.298 10 10 DGCEHN C[C@H](CC[NH2+][C@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000183595974 533944639 /nfs/dbraw/zinc/94/46/39/533944639.db2.gz GDMVJPPDWYPCAY-CHWSQXEVSA-N 0 3 308.422 3.346 10 10 DGCEHN COc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000130486623 524741457 /nfs/dbraw/zinc/74/14/57/524741457.db2.gz WUYWUEFUSDNYGN-KSSFIOAISA-N 0 3 314.429 3.145 10 10 DGCEHN COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000130486933 524800561 /nfs/dbraw/zinc/80/05/61/524800561.db2.gz WUYWUEFUSDNYGN-KBXCAEBGSA-N 0 3 314.429 3.145 10 10 DGCEHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000230167500 525348999 /nfs/dbraw/zinc/34/89/99/525348999.db2.gz RWSIQEQZUHJKAG-AWEZNQCLSA-N 0 3 320.433 3.047 10 10 DGCEHN C[C@@H]([NH2+]CC1(C)OCCCO1)c1cc2c(cc1[O-])CCCC2 ZINC000190652144 525418598 /nfs/dbraw/zinc/41/85/98/525418598.db2.gz HKMBEESPJXCPFZ-CYBMUJFWSA-N 0 3 305.418 3.075 10 10 DGCEHN C[C@@H](c1ccco1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000131074278 625938016 /nfs/dbraw/zinc/93/80/16/625938016.db2.gz FLYXAYQAWKTGSU-HNNXBMFYSA-N 0 3 300.402 3.309 10 10 DGCEHN C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000715081292 661208159 /nfs/dbraw/zinc/20/81/59/661208159.db2.gz OKWIASASWIMLBA-HSBZDZAISA-N 0 3 320.433 3.346 10 10 DGCEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000389836459 1197709921 /nfs/dbraw/zinc/70/99/21/1197709921.db2.gz KLYJJEKEBPWQJY-KDOFPFPSSA-N 0 3 314.404 3.141 10 10 DGCEHN Cc1ccc([O-])c(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000113335123 292164821 /nfs/dbraw/zinc/16/48/21/292164821.db2.gz NHSOSKRNPDSLJA-UHFFFAOYSA-N 0 3 308.422 3.094 10 10 DGCEHN Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000185340761 228391586 /nfs/dbraw/zinc/39/15/86/228391586.db2.gz WIIPKIPFCXHFSI-CYBMUJFWSA-N 0 3 308.422 3.266 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2[O-])C12CCOCC2 ZINC000248544582 432300021 /nfs/dbraw/zinc/30/00/21/432300021.db2.gz DPXQHJOQHMZNNR-KBAYOESNSA-N 0 3 319.445 3.407 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000186031523 432554126 /nfs/dbraw/zinc/55/41/26/432554126.db2.gz SUVLLPHYOKVDAK-ZDUSSCGKSA-N 0 3 318.442 3.233 10 10 DGCEHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000277922977 432878805 /nfs/dbraw/zinc/87/88/05/432878805.db2.gz QCHNIMZGXFETEJ-HIFRSBDPSA-N 0 3 320.433 3.127 10 10 DGCEHN CCCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([O-])c1 ZINC000245707356 432858300 /nfs/dbraw/zinc/85/83/00/432858300.db2.gz FGWCLHMTEHWYBV-YJBOKZPZSA-N 0 3 305.418 3.182 10 10 DGCEHN CCCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c([O-])c1 ZINC000245707356 432858302 /nfs/dbraw/zinc/85/83/02/432858302.db2.gz FGWCLHMTEHWYBV-YJBOKZPZSA-N 0 3 305.418 3.182 10 10 DGCEHN C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1[O-] ZINC000183556327 534004917 /nfs/dbraw/zinc/00/49/17/534004917.db2.gz QWGZGUNXKAUYGF-STQMWFEESA-N 0 3 317.820 3.370 10 10 DGCEHN C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000179884695 525554590 /nfs/dbraw/zinc/55/45/90/525554590.db2.gz LWFACQQGHGSHBN-WMLDXEAASA-N 0 3 310.397 3.238 10 10 DGCEHN Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000182462513 527438616 /nfs/dbraw/zinc/43/86/16/527438616.db2.gz WOJOKIGCVVVCPE-NSHDSACASA-N 0 3 307.825 3.285 10 10 DGCEHN CCN(C)c1ccc([C@H](C)NCc2cccnc2N(C)C)cc1 ZINC000154738161 620708818 /nfs/dbraw/zinc/70/88/18/620708818.db2.gz MBTYMELQLIBJQP-HNNXBMFYSA-N 0 3 312.461 3.455 10 10 DGCEHN CC[C@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1ccccc1[O-] ZINC000185213074 660208321 /nfs/dbraw/zinc/20/83/21/660208321.db2.gz NHFCRJVPEQFCPN-SJCJKPOMSA-N 0 3 301.434 3.414 10 10 DGCEHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000189520927 656156106 /nfs/dbraw/zinc/15/61/06/656156106.db2.gz VKDSPHKENGNHLX-ZFWWWQNUSA-N 0 3 320.433 3.270 10 10 DGCEHN CN(C)[C@@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000170842934 659925533 /nfs/dbraw/zinc/92/55/33/659925533.db2.gz FSONDRLSPITNRV-CYBMUJFWSA-N 0 3 314.429 3.153 10 10 DGCEHN CN(C)[C@@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000170842934 659925537 /nfs/dbraw/zinc/92/55/37/659925537.db2.gz FSONDRLSPITNRV-CYBMUJFWSA-N 0 3 314.429 3.153 10 10 DGCEHN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000180392158 659961567 /nfs/dbraw/zinc/96/15/67/659961567.db2.gz YRNTZYOMHOVQMM-UKRRQHHQSA-N 0 3 320.433 3.127 10 10 DGCEHN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000180392123 659961726 /nfs/dbraw/zinc/96/17/26/659961726.db2.gz YRNTZYOMHOVQMM-HIFRSBDPSA-N 0 3 320.433 3.127 10 10 DGCEHN c1cc(CNCc2ccc(N3CCCC3)cc2)cc2c1OCO2 ZINC000378931929 1197702558 /nfs/dbraw/zinc/70/25/58/1197702558.db2.gz YWCVWTJYRSNACW-UHFFFAOYSA-N 0 3 310.397 3.305 10 10 DGCEHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246595777 285391124 /nfs/dbraw/zinc/39/11/24/285391124.db2.gz CXAGUQVBVCYKAE-SJLPKXTDSA-N 0 3 315.438 3.252 10 10 DGCEHN [O-]c1ccc2ccccc2c1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246595777 285391125 /nfs/dbraw/zinc/39/11/25/285391125.db2.gz CXAGUQVBVCYKAE-SJLPKXTDSA-N 0 3 315.438 3.252 10 10 DGCEHN COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000246796142 432166953 /nfs/dbraw/zinc/16/69/53/432166953.db2.gz QQEDAJIBORUFLU-HUUCEWRRSA-N 0 3 317.385 3.082 10 10 DGCEHN COc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000246796142 432166960 /nfs/dbraw/zinc/16/69/60/432166960.db2.gz QQEDAJIBORUFLU-HUUCEWRRSA-N 0 3 317.385 3.082 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c1 ZINC000185878003 228399749 /nfs/dbraw/zinc/39/97/49/228399749.db2.gz GIGJCYNMJHDDFG-DZGCQCFKSA-N 0 3 310.397 3.477 10 10 DGCEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c([O-])c1 ZINC000185997166 228401977 /nfs/dbraw/zinc/40/19/77/228401977.db2.gz PHTDOJKVHGIANK-ZIAGYGMSSA-N 0 3 314.433 3.081 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000248484988 432296826 /nfs/dbraw/zinc/29/68/26/432296826.db2.gz DRIIXEFLHLYROU-IAOVAPTHSA-N 0 3 315.417 3.432 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C12CCC2 ZINC000248530092 432298488 /nfs/dbraw/zinc/29/84/88/432298488.db2.gz XEDYHEJUJUTLFK-CSMYWGQOSA-N 0 3 305.418 3.399 10 10 DGCEHN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)ccc1[O-] ZINC000248521686 432298572 /nfs/dbraw/zinc/29/85/72/432298572.db2.gz ROJDQMRYXHRTCR-RBOXIYTFSA-N 0 3 311.422 3.237 10 10 DGCEHN CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1[O-] ZINC000248562562 432302073 /nfs/dbraw/zinc/30/20/73/432302073.db2.gz NNRFVIFKOUESMJ-QRTARXTBSA-N 0 3 307.459 3.488 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000248732958 432315020 /nfs/dbraw/zinc/31/50/20/432315020.db2.gz PBZSVVNTXDSMDX-XYZKALLWSA-N 0 3 303.402 3.009 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c([O-])c1 ZINC000184989671 432454445 /nfs/dbraw/zinc/45/44/45/432454445.db2.gz BPXMZOVMDMDXRU-AWEZNQCLSA-N 0 3 308.385 3.132 10 10 DGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996604 432553640 /nfs/dbraw/zinc/55/36/40/432553640.db2.gz XQZKRKAVVIPPFZ-KGLIPLIRSA-N 0 3 314.433 3.081 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C12CCOCC2 ZINC000186303254 432579647 /nfs/dbraw/zinc/57/96/47/432579647.db2.gz KUIMHLMBYZODSV-IAOVAPTHSA-N 0 3 305.418 3.017 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C12CCOCC2 ZINC000186312377 432581883 /nfs/dbraw/zinc/58/18/83/432581883.db2.gz UHNUVZWJZQHHBH-JCGIZDLHSA-N 0 3 319.445 3.325 10 10 DGCEHN Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000230393656 432728370 /nfs/dbraw/zinc/72/83/70/432728370.db2.gz LMHWDEKABVDOFM-AWEZNQCLSA-N 0 3 320.433 3.047 10 10 DGCEHN Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000230393659 432728586 /nfs/dbraw/zinc/72/85/86/432728586.db2.gz LMHWDEKABVDOFM-CQSZACIVSA-N 0 3 320.433 3.047 10 10 DGCEHN COc1cccc(CC[NH2+][C@H](C)c2cc(OC)ccc2[O-])c1 ZINC000185040447 333368969 /nfs/dbraw/zinc/36/89/69/333368969.db2.gz SDFYSYPTFPWLSB-CYBMUJFWSA-N 0 3 301.386 3.303 10 10 DGCEHN CC[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccccc1[O-] ZINC000156569435 522829230 /nfs/dbraw/zinc/82/92/30/522829230.db2.gz MFJNIQOMZKKARS-CQSZACIVSA-N 0 3 318.442 3.315 10 10 DGCEHN Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000180043811 524678019 /nfs/dbraw/zinc/67/80/19/524678019.db2.gz AGIYDWRCIULKTD-AWEZNQCLSA-N 0 3 315.392 3.169 10 10 DGCEHN Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000180043811 524678027 /nfs/dbraw/zinc/67/80/27/524678027.db2.gz AGIYDWRCIULKTD-AWEZNQCLSA-N 0 3 315.392 3.169 10 10 DGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000179963632 524743097 /nfs/dbraw/zinc/74/30/97/524743097.db2.gz IJASZDHGRKIPGX-LBPRGKRZSA-N 0 3 304.415 3.237 10 10 DGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000179963632 524743107 /nfs/dbraw/zinc/74/31/07/524743107.db2.gz IJASZDHGRKIPGX-LBPRGKRZSA-N 0 3 304.415 3.237 10 10 DGCEHN CC[C@@H](NCc1cccnc1N(C)C)c1ccc(N(C)C)cc1 ZINC000154764916 620716421 /nfs/dbraw/zinc/71/64/21/620716421.db2.gz VZWDUGRYDCAMRU-GOSISDBHSA-N 0 3 312.461 3.455 10 10 DGCEHN COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185098175 660201948 /nfs/dbraw/zinc/20/19/48/660201948.db2.gz XTLAVOMWXHCVOX-CXAGYDPISA-N 0 3 301.386 3.093 10 10 DGCEHN CCOc1cccc(CN[C@@H](C)c2ccncc2OC)c1O ZINC000189565063 661982237 /nfs/dbraw/zinc/98/22/37/661982237.db2.gz DPOCCEGMCLRIDV-LBPRGKRZSA-N 0 3 302.374 3.045 10 10 DGCEHN Cc1cc(O)c(CN2CC[C@](O)(C(F)(F)F)C2)cc1C(C)C ZINC000191435182 662066420 /nfs/dbraw/zinc/06/64/20/662066420.db2.gz UHZQXPUGRJIFJW-OAHLLOKOSA-N 0 3 317.351 3.323 10 10 DGCEHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H](C)NC(=O)OC(C)(C)C ZINC000381799806 685159632 /nfs/dbraw/zinc/15/96/32/685159632.db2.gz UDFFUBYBVZUDEW-DYEKYZERSA-N 0 3 320.433 3.271 10 10 DGCEHN Cc1cccc(N2C(=O)[C@H](CN3CCCCC3)SC2=S)c1 ZINC000005755419 181280596 /nfs/dbraw/zinc/28/05/96/181280596.db2.gz FXFFWPIYVAESOW-AWEZNQCLSA-N 0 3 320.483 3.214 10 10 DGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000179780524 432070334 /nfs/dbraw/zinc/07/03/34/432070334.db2.gz JGOXANQBSOWPJV-LBPRGKRZSA-N 0 3 305.809 3.457 10 10 DGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000179780524 432070335 /nfs/dbraw/zinc/07/03/35/432070335.db2.gz JGOXANQBSOWPJV-LBPRGKRZSA-N 0 3 305.809 3.457 10 10 DGCEHN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180119904 432079007 /nfs/dbraw/zinc/07/90/07/432079007.db2.gz PZIIIZJLGKPFHN-OAHLLOKOSA-N 0 3 303.381 3.219 10 10 DGCEHN Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180119904 432079009 /nfs/dbraw/zinc/07/90/09/432079009.db2.gz PZIIIZJLGKPFHN-OAHLLOKOSA-N 0 3 303.381 3.219 10 10 DGCEHN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000309766013 285380394 /nfs/dbraw/zinc/38/03/94/285380394.db2.gz ZLCYSLZJSOCRIN-MRXNPFEDSA-N 0 3 314.404 3.143 10 10 DGCEHN Cc1ccccc1[C@@H]1C[NH2+]CCc2c(Cl)c([O-])c(O)cc21 ZINC000027106319 431682403 /nfs/dbraw/zinc/68/24/03/431682403.db2.gz HXZMFUWALAULEQ-AWEZNQCLSA-N 0 3 303.789 3.337 10 10 DGCEHN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ccc(N(C)C)cc1 ZINC000122724737 431842481 /nfs/dbraw/zinc/84/24/81/431842481.db2.gz UXRJQUVTPQNCQC-GOSISDBHSA-N 0 3 312.461 3.440 10 10 DGCEHN CCOc1ccc(O)c(CN2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000123086831 431854040 /nfs/dbraw/zinc/85/40/40/431854040.db2.gz RZEPLHNFGKTZAL-MRXNPFEDSA-N 0 3 315.417 3.133 10 10 DGCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000123086831 431854043 /nfs/dbraw/zinc/85/40/43/431854043.db2.gz RZEPLHNFGKTZAL-MRXNPFEDSA-N 0 3 315.417 3.133 10 10 DGCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000123086831 431854045 /nfs/dbraw/zinc/85/40/45/431854045.db2.gz RZEPLHNFGKTZAL-MRXNPFEDSA-N 0 3 315.417 3.133 10 10 DGCEHN C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1cc2c(cc1[O-])CCCC2 ZINC000251853891 432371931 /nfs/dbraw/zinc/37/19/31/432371931.db2.gz NTCZFLIMFJBCJR-FAAYRAOTSA-N 0 3 301.430 3.489 10 10 DGCEHN Cc1ccc(O)c([C@H](C)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000186151629 432563015 /nfs/dbraw/zinc/56/30/15/432563015.db2.gz KDZQQAKPWPXDDP-JTQLQIEISA-N 0 3 313.323 3.304 10 10 DGCEHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccnn2C)c1[O-] ZINC000186992312 526160482 /nfs/dbraw/zinc/16/04/82/526160482.db2.gz QJVFRKODTQLSCB-JTQLQIEISA-N 0 3 324.222 3.047 10 10 DGCEHN C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1[O-] ZINC000153959389 620627295 /nfs/dbraw/zinc/62/72/95/620627295.db2.gz CNTPUJJWZPERGC-UONOGXRCSA-N 0 3 308.385 3.385 10 10 DGCEHN COc1cc(Cl)cc(C[NH2+][C@@H](CC(C)C)CN(C)C)c1[O-] ZINC000228673288 659202010 /nfs/dbraw/zinc/20/20/10/659202010.db2.gz CNSYWIRHHFBIFS-AWEZNQCLSA-N 0 3 314.857 3.120 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CCS[C@H](C)C3)c2c1 ZINC000171606548 659290819 /nfs/dbraw/zinc/29/08/19/659290819.db2.gz XOPHZTMBADZEIZ-GFCCVEGCSA-N 0 3 303.427 3.491 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@H+]3CCS[C@H](C)C3)c2c1 ZINC000171606548 659290821 /nfs/dbraw/zinc/29/08/21/659290821.db2.gz XOPHZTMBADZEIZ-GFCCVEGCSA-N 0 3 303.427 3.491 10 10 DGCEHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H](C)NC(=O)OC(C)(C)C ZINC000381799813 685159732 /nfs/dbraw/zinc/15/97/32/685159732.db2.gz UDFFUBYBVZUDEW-MBNYWOFBSA-N 0 3 320.433 3.271 10 10 DGCEHN c1cn(Cc2cccc(CNCc3ccc4c(c3)CCO4)c2)cn1 ZINC000077327325 1196588099 /nfs/dbraw/zinc/58/80/99/1196588099.db2.gz VXIHIAMDUBTZEM-UHFFFAOYSA-N 0 3 319.408 3.156 10 10 DGCEHN Cc1noc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000179755914 432070427 /nfs/dbraw/zinc/07/04/27/432070427.db2.gz MXLGBGGAAKXEEZ-LBPRGKRZSA-N 0 3 321.808 3.425 10 10 DGCEHN Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000179755914 432070428 /nfs/dbraw/zinc/07/04/28/432070428.db2.gz MXLGBGGAAKXEEZ-LBPRGKRZSA-N 0 3 321.808 3.425 10 10 DGCEHN C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000176981353 533509990 /nfs/dbraw/zinc/50/99/90/533509990.db2.gz NJTVFJJHXQXRBT-DYVFJYSZSA-N 0 3 302.393 3.485 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C12CCOCC2 ZINC000248651021 286402167 /nfs/dbraw/zinc/40/21/67/286402167.db2.gz XBFRXRIDNGRXCA-FHLIZLRMSA-N 0 3 319.445 3.325 10 10 DGCEHN Cc1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1[O-] ZINC000179611653 228352508 /nfs/dbraw/zinc/35/25/08/228352508.db2.gz QFODCVLWMAPTMD-UHFFFAOYSA-N 0 3 322.412 3.123 10 10 DGCEHN C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1[O-] ZINC000185879807 228399839 /nfs/dbraw/zinc/39/98/39/228399839.db2.gz XADZEZJFXBHSPZ-RISCZKNCSA-N 0 3 314.360 3.308 10 10 DGCEHN Cn1cc([C@@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)cn1 ZINC000116257585 431498273 /nfs/dbraw/zinc/49/82/73/431498273.db2.gz BMIAGMRISVSWAU-OAHLLOKOSA-N 0 3 307.397 3.268 10 10 DGCEHN Cn1cc([C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)cn1 ZINC000116257585 431498278 /nfs/dbraw/zinc/49/82/78/431498278.db2.gz BMIAGMRISVSWAU-OAHLLOKOSA-N 0 3 307.397 3.268 10 10 DGCEHN Cn1cc([C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)cn1 ZINC000116257588 431499405 /nfs/dbraw/zinc/49/94/05/431499405.db2.gz BMIAGMRISVSWAU-HNNXBMFYSA-N 0 3 307.397 3.268 10 10 DGCEHN Cn1cc([C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)cn1 ZINC000116257588 431499409 /nfs/dbraw/zinc/49/94/09/431499409.db2.gz BMIAGMRISVSWAU-HNNXBMFYSA-N 0 3 307.397 3.268 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@H]1Oc1ccccc1 ZINC000248577914 432303383 /nfs/dbraw/zinc/30/33/83/432303383.db2.gz URCUZOJPNNQFTQ-QXAKKESOSA-N 0 3 313.397 3.107 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996584 432552553 /nfs/dbraw/zinc/55/25/53/432552553.db2.gz XQZKRKAVVIPPFZ-UONOGXRCSA-N 0 3 314.433 3.081 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c([O-])c1 ZINC000185997180 432552684 /nfs/dbraw/zinc/55/26/84/432552684.db2.gz PHTDOJKVHGIANK-UONOGXRCSA-N 0 3 314.433 3.081 10 10 DGCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c([O-])c1 ZINC000186293860 432580163 /nfs/dbraw/zinc/58/01/63/432580163.db2.gz KQYRFGMAHBVWCZ-KGLIPLIRSA-N 0 3 314.433 3.081 10 10 DGCEHN Cc1ccc([O-])c(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000226647903 432708194 /nfs/dbraw/zinc/70/81/94/432708194.db2.gz JLJOLUGTMDAFPN-CYBMUJFWSA-N 0 3 308.422 3.094 10 10 DGCEHN COc1cccc(CC[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000185040427 333368788 /nfs/dbraw/zinc/36/87/88/333368788.db2.gz SDFYSYPTFPWLSB-ZDUSSCGKSA-N 0 3 301.386 3.303 10 10 DGCEHN CCOc1cccc(CNCc2cc(F)ccc2OC)c1O ZINC000189208229 521367573 /nfs/dbraw/zinc/36/75/73/521367573.db2.gz QCFCPEJSHPRMMD-UHFFFAOYSA-N 0 3 305.349 3.228 10 10 DGCEHN CC[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccccc1[O-] ZINC000156569314 522583856 /nfs/dbraw/zinc/58/38/56/522583856.db2.gz MFJNIQOMZKKARS-AWEZNQCLSA-N 0 3 318.442 3.315 10 10 DGCEHN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000230684973 546274379 /nfs/dbraw/zinc/27/43/79/546274379.db2.gz AILHQXKBDJHKDC-DZGCQCFKSA-N 0 3 320.433 3.175 10 10 DGCEHN Cc1cc(CCNCc2ccnn2C)c(C)n1-c1ccccc1 ZINC000727642866 576135802 /nfs/dbraw/zinc/13/58/02/576135802.db2.gz OFDPUKUWJCDBHZ-UHFFFAOYSA-N 0 3 308.429 3.160 10 10 DGCEHN COc1cc(Cl)cc(C[NH2+][C@H](CC(C)C)CN(C)C)c1[O-] ZINC000228673299 659202134 /nfs/dbraw/zinc/20/21/34/659202134.db2.gz CNSYWIRHHFBIFS-CQSZACIVSA-N 0 3 314.857 3.120 10 10 DGCEHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CN(C(=O)OC(C)(C)C)C1 ZINC000401671433 1093963546 /nfs/dbraw/zinc/96/35/46/1093963546.db2.gz LOQKQCSSQVFEDY-HIFRSBDPSA-N 0 3 320.433 3.127 10 10 DGCEHN Cc1cccc(C[NH+]2CCC(Nc3nccs3)CC2)c1[O-] ZINC000189949743 432108292 /nfs/dbraw/zinc/10/82/92/432108292.db2.gz KMMWNCYRTZVHTC-UHFFFAOYSA-N 0 3 303.431 3.234 10 10 DGCEHN Cc1cccc(CN2CCC(Nc3nccs3)CC2)c1O ZINC000189949743 432108297 /nfs/dbraw/zinc/10/82/97/432108297.db2.gz KMMWNCYRTZVHTC-UHFFFAOYSA-N 0 3 303.431 3.234 10 10 DGCEHN c1ccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1 ZINC000091676242 400131144 /nfs/dbraw/zinc/13/11/44/400131144.db2.gz WMYHHVBBBVTTGW-UHFFFAOYSA-N 0 3 322.456 3.226 10 10 DGCEHN Cc1ccc([O-])c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000172112647 432197334 /nfs/dbraw/zinc/19/73/34/432197334.db2.gz AIXOEGOVVZQNBF-UHFFFAOYSA-N 0 3 324.424 3.095 10 10 DGCEHN COc1cccc(CN2CC3(CCCC3)OC(C)(C)C2)c1O ZINC000191226519 432236999 /nfs/dbraw/zinc/23/69/99/432236999.db2.gz LCBLPDWRZGFGTR-UHFFFAOYSA-N 0 3 305.418 3.324 10 10 DGCEHN C[C@]12CC[C@@H]3c4ccc([O-])c(C[NH3+])c4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000027200885 431687417 /nfs/dbraw/zinc/68/74/17/431687417.db2.gz KNGPSVFXRQOIMN-AFTVQHQSSA-N 0 3 301.430 3.068 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2[O-])C12CCOCC2 ZINC000248544580 432299336 /nfs/dbraw/zinc/29/93/36/432299336.db2.gz DPXQHJOQHMZNNR-BPQIPLTHSA-N 0 3 319.445 3.407 10 10 DGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996569 432552718 /nfs/dbraw/zinc/55/27/18/432552718.db2.gz XQZKRKAVVIPPFZ-ZIAGYGMSSA-N 0 3 314.433 3.081 10 10 DGCEHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000277922979 432878912 /nfs/dbraw/zinc/87/89/12/432878912.db2.gz QCHNIMZGXFETEJ-ZFWWWQNUSA-N 0 3 320.433 3.127 10 10 DGCEHN Cc1ccnc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000371887664 434766472 /nfs/dbraw/zinc/76/64/72/434766472.db2.gz IMDQRNHWSFFJTP-UHFFFAOYSA-N 0 3 310.445 3.231 10 10 DGCEHN CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180120408 522600174 /nfs/dbraw/zinc/60/01/74/522600174.db2.gz LDYNGTXGDTWPBM-HNNXBMFYSA-N 0 3 303.381 3.127 10 10 DGCEHN CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180120408 522600183 /nfs/dbraw/zinc/60/01/83/522600183.db2.gz LDYNGTXGDTWPBM-HNNXBMFYSA-N 0 3 303.381 3.127 10 10 DGCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1[O-] ZINC000181617233 524869194 /nfs/dbraw/zinc/86/91/94/524869194.db2.gz KBWVUUCPQYTJOZ-AWEZNQCLSA-N 0 3 308.809 3.340 10 10 DGCEHN COc1cc(Cl)cc(C[N@@H+](C[C@H](C)OC)C(C)C)c1[O-] ZINC000708277950 660919518 /nfs/dbraw/zinc/91/95/18/660919518.db2.gz JINDQVTXWQURSU-NSHDSACASA-N 0 3 301.814 3.300 10 10 DGCEHN COc1cc(Cl)cc(C[N@H+](C[C@H](C)OC)C(C)C)c1[O-] ZINC000708277950 660919519 /nfs/dbraw/zinc/91/95/19/660919519.db2.gz JINDQVTXWQURSU-NSHDSACASA-N 0 3 301.814 3.300 10 10 DGCEHN COc1ccc(CNC/C=C/CNC(=O)OC(C)(C)C)cc1C ZINC000227757706 659163169 /nfs/dbraw/zinc/16/31/69/659163169.db2.gz QDHIQGZTEWSGKV-VOTSOKGWSA-N 0 3 320.433 3.174 10 10 DGCEHN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000180392142 659961677 /nfs/dbraw/zinc/96/16/77/659961677.db2.gz YRNTZYOMHOVQMM-ZFWWWQNUSA-N 0 3 320.433 3.127 10 10 DGCEHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccncc2OC)c1 ZINC000188796918 661945303 /nfs/dbraw/zinc/94/53/03/661945303.db2.gz LKNXYFWFLUCPQV-NWDGAFQWSA-N 0 3 302.374 3.216 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])C12CCOCC2 ZINC000248636048 432307601 /nfs/dbraw/zinc/30/76/01/432307601.db2.gz KUIMHLMBYZODSV-XOKHGSTOSA-N 0 3 305.418 3.017 10 10 DGCEHN Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000192709244 432403304 /nfs/dbraw/zinc/40/33/04/432403304.db2.gz IGVFTDBZADKMCP-OAHLLOKOSA-N 0 3 311.429 3.415 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000184989342 432454148 /nfs/dbraw/zinc/45/41/48/432454148.db2.gz AGUYUKWFPFBZCL-AWEZNQCLSA-N 0 3 308.385 3.132 10 10 DGCEHN Cc1ccnc(C2CC[NH+](Cc3cc(C)c(C)cc3[O-])CC2)n1 ZINC000371889346 434767310 /nfs/dbraw/zinc/76/73/10/434767310.db2.gz XNGVUASNRALHCV-UHFFFAOYSA-N 0 3 311.429 3.487 10 10 DGCEHN C[C@H](CC[NH2+][C@@H](C)c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000183595943 533942737 /nfs/dbraw/zinc/94/27/37/533942737.db2.gz GDMVJPPDWYPCAY-OLZOCXBDSA-N 0 3 308.422 3.346 10 10 DGCEHN CC[C@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1[O-] ZINC000156508955 522722461 /nfs/dbraw/zinc/72/24/61/522722461.db2.gz ALHIBPDEBLLHHK-HIFRSBDPSA-N 0 3 314.433 3.163 10 10 DGCEHN COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000130487166 524799840 /nfs/dbraw/zinc/79/98/40/524799840.db2.gz WUYWUEFUSDNYGN-RDTXWAMCSA-N 0 3 314.429 3.145 10 10 DGCEHN Cc1ccc([O-])c(C[NH2+]CCCc2nc3ccccc3n2C)c1 ZINC000124405121 525350567 /nfs/dbraw/zinc/35/05/67/525350567.db2.gz CFSLTUFBKVZWHX-UHFFFAOYSA-N 0 3 309.413 3.310 10 10 DGCEHN CCCOc1ccc(CN2CCC([NH+]3CCCC3)CC2)c([O-])c1 ZINC000127754003 528663394 /nfs/dbraw/zinc/66/33/94/528663394.db2.gz HOXREQDIAAAWDI-UHFFFAOYSA-N 0 3 318.461 3.241 10 10 DGCEHN Cn1ccnc1C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000742388077 574995964 /nfs/dbraw/zinc/99/59/64/574995964.db2.gz KQDBZERHMDTGIV-QGZVFWFLSA-N 0 3 307.397 3.199 10 10 DGCEHN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185560038 660229883 /nfs/dbraw/zinc/22/98/83/660229883.db2.gz MZWGWLUOXWTRQT-QWRGUYRKSA-N 0 3 305.397 3.163 10 10 DGCEHN CC[C@H]([NH2+]C[C@H](O)c1ccccc1OC)c1ccccc1[O-] ZINC000186122852 660267933 /nfs/dbraw/zinc/26/79/33/660267933.db2.gz UCRLXNSAVQWMSJ-RDJZCZTQSA-N 0 3 301.386 3.175 10 10 DGCEHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCCS2)c1[O-] ZINC000715599826 661212825 /nfs/dbraw/zinc/21/28/25/661212825.db2.gz GCETZWNJGLIHOI-LBPRGKRZSA-N 0 3 301.839 3.430 10 10 DGCEHN CC(C)(C)OC(=O)N1CCC[C@@H]1CC[NH2+]Cc1ccccc1[O-] ZINC000227639715 659159330 /nfs/dbraw/zinc/15/93/30/659159330.db2.gz WAPOOMKITVNCHB-OAHLLOKOSA-N 0 3 320.433 3.271 10 10 DGCEHN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000230392455 1202597963 /nfs/dbraw/zinc/59/79/63/1202597963.db2.gz KHYHCIIXTFGXQX-UHFFFAOYSA-N 0 3 324.396 3.068 10 10 DGCEHN Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179557344 432061625 /nfs/dbraw/zinc/06/16/25/432061625.db2.gz RIRMRRZNILEJGL-UHFFFAOYSA-N 0 3 324.424 3.095 10 10 DGCEHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1[O-] ZINC000183562365 533523049 /nfs/dbraw/zinc/52/30/49/533523049.db2.gz MCALKBGYTBLMMO-GDBMZVCRSA-N 0 3 316.445 3.224 10 10 DGCEHN CCOc1cccc(C[N@H+](CC)CCc2nccs2)c1[O-] ZINC000093764531 431916796 /nfs/dbraw/zinc/91/67/96/431916796.db2.gz WJNOGHZXKMXLIR-UHFFFAOYSA-N 0 3 306.431 3.312 10 10 DGCEHN CCOc1cccc(C[N@@H+](CC)CCc2nccs2)c1[O-] ZINC000093764531 431916797 /nfs/dbraw/zinc/91/67/97/431916797.db2.gz WJNOGHZXKMXLIR-UHFFFAOYSA-N 0 3 306.431 3.312 10 10 DGCEHN CCOc1ccc([O-])c(C[N@H+](C)CCc2ncc(C)s2)c1 ZINC000093807361 431917071 /nfs/dbraw/zinc/91/70/71/431917071.db2.gz YRHUWQNWBITFMZ-UHFFFAOYSA-N 0 3 306.431 3.230 10 10 DGCEHN CCOc1ccc([O-])c(C[N@@H+](C)CCc2ncc(C)s2)c1 ZINC000093807361 431917072 /nfs/dbraw/zinc/91/70/72/431917072.db2.gz YRHUWQNWBITFMZ-UHFFFAOYSA-N 0 3 306.431 3.230 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000248529697 432297833 /nfs/dbraw/zinc/29/78/33/432297833.db2.gz WZEHTVZGWQUYOY-GGBBIFEXSA-N 0 3 317.429 3.399 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C12CCOCC2 ZINC000248651022 432309799 /nfs/dbraw/zinc/30/97/99/432309799.db2.gz XBFRXRIDNGRXCA-ZTFGCOKTSA-N 0 3 319.445 3.325 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000248732954 432314637 /nfs/dbraw/zinc/31/46/37/432314637.db2.gz PBZSVVNTXDSMDX-OUENDJJVSA-N 0 3 303.402 3.009 10 10 DGCEHN C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1cc2c(cc1[O-])CCCC2 ZINC000251854424 432371828 /nfs/dbraw/zinc/37/18/28/432371828.db2.gz NTCZFLIMFJBCJR-IQRRUJBNSA-N 0 3 301.430 3.489 10 10 DGCEHN CC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1[O-] ZINC000192709303 432403430 /nfs/dbraw/zinc/40/34/30/432403430.db2.gz AXRBJVBLDUAIQW-QGZVFWFLSA-N 0 3 311.429 3.497 10 10 DGCEHN C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000186152052 432563072 /nfs/dbraw/zinc/56/30/72/432563072.db2.gz QBZIMHXJFILNKJ-QMMMGPOBSA-N 0 3 317.286 3.134 10 10 DGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c1 ZINC000185878026 432540853 /nfs/dbraw/zinc/54/08/53/432540853.db2.gz GIGJCYNMJHDDFG-HIFRSBDPSA-N 0 3 310.397 3.477 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c([O-])c1 ZINC000186293876 432579894 /nfs/dbraw/zinc/57/98/94/432579894.db2.gz KQYRFGMAHBVWCZ-KBPBESRZSA-N 0 3 314.433 3.081 10 10 DGCEHN Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1[O-] ZINC000245867609 432866454 /nfs/dbraw/zinc/86/64/54/432866454.db2.gz QQMLAXWETUJOLO-YJBOKZPZSA-N 0 3 300.446 3.149 10 10 DGCEHN Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1[O-] ZINC000245867609 432866456 /nfs/dbraw/zinc/86/64/56/432866456.db2.gz QQMLAXWETUJOLO-YJBOKZPZSA-N 0 3 300.446 3.149 10 10 DGCEHN c1cc2c(o1)CCCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000368130350 434565620 /nfs/dbraw/zinc/56/56/20/434565620.db2.gz AXCNMGIFEJITJA-UHFFFAOYSA-N 0 3 312.413 3.065 10 10 DGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1[O-] ZINC000180333727 524862993 /nfs/dbraw/zinc/86/29/93/524862993.db2.gz QGWGHXYTRWPPKZ-UHFFFAOYSA-N 0 3 324.852 3.044 10 10 DGCEHN C[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1[O-] ZINC000185091908 660201300 /nfs/dbraw/zinc/20/13/00/660201300.db2.gz PXQJSGZRIIMUSS-WMLDXEAASA-N 0 3 316.420 3.355 10 10 DGCEHN CC[C@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1ccccc1[O-] ZINC000185213105 660208220 /nfs/dbraw/zinc/20/82/20/660208220.db2.gz NHFCRJVPEQFCPN-PXAZEXFGSA-N 0 3 301.434 3.414 10 10 DGCEHN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185560021 660229925 /nfs/dbraw/zinc/22/99/25/660229925.db2.gz MZWGWLUOXWTRQT-MNOVXSKESA-N 0 3 305.397 3.163 10 10 DGCEHN C[C@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000227579032 660319851 /nfs/dbraw/zinc/31/98/51/660319851.db2.gz KNKWDCYQPUPGOO-HIFPTAJRSA-N 0 3 306.406 3.099 10 10 DGCEHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])[C@H]1CCOC1 ZINC000311171304 655981413 /nfs/dbraw/zinc/98/14/13/655981413.db2.gz SWVVEANKMFBYNO-ZDUSSCGKSA-N 0 3 314.223 3.074 10 10 DGCEHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])[C@H]1CCOC1 ZINC000311171304 655981416 /nfs/dbraw/zinc/98/14/16/655981416.db2.gz SWVVEANKMFBYNO-ZDUSSCGKSA-N 0 3 314.223 3.074 10 10 DGCEHN COc1ccc(CNC/C=C\CNC(=O)OC(C)(C)C)cc1C ZINC000309695236 656114638 /nfs/dbraw/zinc/11/46/38/656114638.db2.gz QDHIQGZTEWSGKV-SREVYHEPSA-N 0 3 320.433 3.174 10 10 DGCEHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000389836460 1197710545 /nfs/dbraw/zinc/71/05/45/1197710545.db2.gz KLYJJEKEBPWQJY-KSSFIOAISA-N 0 3 314.404 3.141 10 10 DGCEHN CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2[O-])C12CCOCC2 ZINC000248544583 286396412 /nfs/dbraw/zinc/39/64/12/286396412.db2.gz DPXQHJOQHMZNNR-RYQLBKOJSA-N 0 3 319.445 3.407 10 10 DGCEHN CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1[O-] ZINC000248562559 288071323 /nfs/dbraw/zinc/07/13/23/288071323.db2.gz NNRFVIFKOUESMJ-KMFMINBZSA-N 0 3 307.459 3.488 10 10 DGCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c([O-])c1 ZINC000185997199 432552951 /nfs/dbraw/zinc/55/29/51/432552951.db2.gz PHTDOJKVHGIANK-KGLIPLIRSA-N 0 3 314.433 3.081 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C12CCOCC2 ZINC000185652612 432520835 /nfs/dbraw/zinc/52/08/35/432520835.db2.gz QTEZOPSZABDMLE-QZTJIDSGSA-N 0 3 319.445 3.073 10 10 DGCEHN CC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1[O-] ZINC000156509070 522928359 /nfs/dbraw/zinc/92/83/59/522928359.db2.gz ALHIBPDEBLLHHK-UKRRQHHQSA-N 0 3 314.433 3.163 10 10 DGCEHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(-n2cncn2)cc1 ZINC000153959467 620627473 /nfs/dbraw/zinc/62/74/73/620627473.db2.gz CNTPUJJWZPERGC-ZIAGYGMSSA-N 0 3 308.385 3.385 10 10 DGCEHN C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000309696838 655876066 /nfs/dbraw/zinc/87/60/66/655876066.db2.gz DSSPEYWAPNZCCC-MAUKXSAKSA-N 0 3 310.441 3.490 10 10 DGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000179780542 432069960 /nfs/dbraw/zinc/06/99/60/432069960.db2.gz JGOXANQBSOWPJV-GFCCVEGCSA-N 0 3 305.809 3.457 10 10 DGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000179780542 432069961 /nfs/dbraw/zinc/06/99/61/432069961.db2.gz JGOXANQBSOWPJV-GFCCVEGCSA-N 0 3 305.809 3.457 10 10 DGCEHN COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC000179583498 533084212 /nfs/dbraw/zinc/08/42/12/533084212.db2.gz HJWLLIOGSFHPBH-CQSZACIVSA-N 0 3 313.397 3.399 10 10 DGCEHN COc1cc(OC)cc([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC000179583498 533084218 /nfs/dbraw/zinc/08/42/18/533084218.db2.gz HJWLLIOGSFHPBH-CQSZACIVSA-N 0 3 313.397 3.399 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000185627930 286339303 /nfs/dbraw/zinc/33/93/03/286339303.db2.gz DRIIXEFLHLYROU-XKQJLSEDSA-N 0 3 315.417 3.432 10 10 DGCEHN CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000246796528 432166658 /nfs/dbraw/zinc/16/66/58/432166658.db2.gz QQROXWRHXDPXKM-HOCLYGCPSA-N 0 3 315.417 3.071 10 10 DGCEHN CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000246796528 432166661 /nfs/dbraw/zinc/16/66/61/432166661.db2.gz QQROXWRHXDPXKM-HOCLYGCPSA-N 0 3 315.417 3.071 10 10 DGCEHN CC[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccc(N(C)C)cc1 ZINC000246873865 432176088 /nfs/dbraw/zinc/17/60/88/432176088.db2.gz DCUIXZLUPVLNKX-ZCNNSNEGSA-N 0 3 310.441 3.452 10 10 DGCEHN CCOc1cccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000092757910 431911685 /nfs/dbraw/zinc/91/16/85/431911685.db2.gz MHXMBHALPNZUCV-KRWDZBQOSA-N 0 3 312.413 3.477 10 10 DGCEHN CCOc1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000092757910 431911687 /nfs/dbraw/zinc/91/16/87/431911687.db2.gz MHXMBHALPNZUCV-KRWDZBQOSA-N 0 3 312.413 3.477 10 10 DGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000192709530 432403326 /nfs/dbraw/zinc/40/33/26/432403326.db2.gz VVQCGVVEYKMRTB-OAHLLOKOSA-N 0 3 311.429 3.415 10 10 DGCEHN COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185096627 432465485 /nfs/dbraw/zinc/46/54/85/432465485.db2.gz LMPUZCKJBFFBRX-CXAGYDPISA-N 0 3 301.386 3.093 10 10 DGCEHN C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cc(F)ccc1[O-] ZINC000186032060 432555078 /nfs/dbraw/zinc/55/50/78/432555078.db2.gz LXAXAZKOQKXRCA-LLVKDONJSA-N 0 3 322.405 3.064 10 10 DGCEHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000277922976 432878866 /nfs/dbraw/zinc/87/88/66/432878866.db2.gz QCHNIMZGXFETEJ-DZGCQCFKSA-N 0 3 320.433 3.127 10 10 DGCEHN c1ccc([C@@H](NCc2ccc3c(c2)CCO3)[C@H]2CCOC2)cc1 ZINC000374472549 433199966 /nfs/dbraw/zinc/19/99/66/433199966.db2.gz QMYRATIGSGFCOT-AZUAARDMSA-N 0 3 309.409 3.489 10 10 DGCEHN COc1ccc(O)c(CN2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000180136134 534201779 /nfs/dbraw/zinc/20/17/79/534201779.db2.gz DXYRPTZRCDEUOH-INIZCTEOSA-N 0 3 315.417 3.088 10 10 DGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000180136134 534201786 /nfs/dbraw/zinc/20/17/86/534201786.db2.gz DXYRPTZRCDEUOH-INIZCTEOSA-N 0 3 315.417 3.088 10 10 DGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000180136134 534201791 /nfs/dbraw/zinc/20/17/91/534201791.db2.gz DXYRPTZRCDEUOH-INIZCTEOSA-N 0 3 315.417 3.088 10 10 DGCEHN CCOc1ccc(O)c(CNCc2cc(F)ccc2OC)c1 ZINC000189204753 521151026 /nfs/dbraw/zinc/15/10/26/521151026.db2.gz OBFWJQNQMBOJLH-UHFFFAOYSA-N 0 3 305.349 3.228 10 10 DGCEHN Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000179989089 524679907 /nfs/dbraw/zinc/67/99/07/524679907.db2.gz JCCFNPVXTBMNBP-INIZCTEOSA-N 0 3 311.429 3.338 10 10 DGCEHN Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000179989089 524679909 /nfs/dbraw/zinc/67/99/09/524679909.db2.gz JCCFNPVXTBMNBP-INIZCTEOSA-N 0 3 311.429 3.338 10 10 DGCEHN O=C(c1cc([O-])cs1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000732286314 574570993 /nfs/dbraw/zinc/57/09/93/574570993.db2.gz QPJWKHXZZZHRQS-CQSZACIVSA-N 0 3 322.474 3.182 10 10 DGCEHN Cn1ccnc1C[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000742388076 574995868 /nfs/dbraw/zinc/99/58/68/574995868.db2.gz KQDBZERHMDTGIV-KRWDZBQOSA-N 0 3 307.397 3.199 10 10 DGCEHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(-n2cncn2)cc1 ZINC000153959281 620627322 /nfs/dbraw/zinc/62/73/22/620627322.db2.gz CNTPUJJWZPERGC-KGLIPLIRSA-N 0 3 308.385 3.385 10 10 DGCEHN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185559609 660229844 /nfs/dbraw/zinc/22/98/44/660229844.db2.gz GQZXTGZTHYWXRZ-QWHCGFSZSA-N 0 3 301.434 3.333 10 10 DGCEHN Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186227931 660350157 /nfs/dbraw/zinc/35/01/57/660350157.db2.gz PXHQUBWCUPYUCX-CYBMUJFWSA-N 0 3 301.434 3.334 10 10 DGCEHN Cc1cc(O)c(CN2CC[C@@](O)(C(F)(F)F)C2)cc1C(C)C ZINC000191435198 656169270 /nfs/dbraw/zinc/16/92/70/656169270.db2.gz UHZQXPUGRJIFJW-HNNXBMFYSA-N 0 3 317.351 3.323 10 10 DGCEHN C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1[O-] ZINC000721885576 658797684 /nfs/dbraw/zinc/79/76/84/658797684.db2.gz XTVZAHWMOAKODY-VNHYZAJKSA-N 0 3 320.433 3.298 10 10 DGCEHN CCC[N@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccccc1[O-] ZINC000092705004 662334147 /nfs/dbraw/zinc/33/41/47/662334147.db2.gz NXXDVVIWOXCEPX-UHFFFAOYSA-N 0 3 324.428 3.464 10 10 DGCEHN CCC[N@@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccccc1[O-] ZINC000092705004 662334150 /nfs/dbraw/zinc/33/41/50/662334150.db2.gz NXXDVVIWOXCEPX-UHFFFAOYSA-N 0 3 324.428 3.464 10 10 DGCEHN Cc1ccc(N2C(=O)[C@H](CN3CCCCC3)SC2=S)cc1 ZINC000005751479 181280927 /nfs/dbraw/zinc/28/09/27/181280927.db2.gz DHPSNKOCTJXHOT-AWEZNQCLSA-N 0 3 320.483 3.214 10 10 DGCEHN CN1CCc2cc(O)c(O)c(Sc3ccccc3)c2CC1 ZINC000005966809 181302009 /nfs/dbraw/zinc/30/20/09/181302009.db2.gz XWXULQBTDLGTNR-UHFFFAOYSA-N 0 3 301.411 3.279 10 10 DGCEHN c1coc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000093335163 431914228 /nfs/dbraw/zinc/91/42/28/431914228.db2.gz PHBZYJHMMHWQFF-GOSISDBHSA-N 0 3 312.413 3.453 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C12CCOCC2 ZINC000248636046 432307784 /nfs/dbraw/zinc/30/77/84/432307784.db2.gz KUIMHLMBYZODSV-KBRIMQKVSA-N 0 3 305.418 3.017 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c([O-])c1 ZINC000185997219 432553261 /nfs/dbraw/zinc/55/32/61/432553261.db2.gz PHTDOJKVHGIANK-KBPBESRZSA-N 0 3 314.433 3.081 10 10 DGCEHN C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000223661888 432678072 /nfs/dbraw/zinc/67/80/72/432678072.db2.gz BWPHXUJIGOQNKA-KBPBESRZSA-N 0 3 320.433 3.300 10 10 DGCEHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000277922978 432878792 /nfs/dbraw/zinc/87/87/92/432878792.db2.gz QCHNIMZGXFETEJ-UKRRQHHQSA-N 0 3 320.433 3.127 10 10 DGCEHN CCCN(CCC)c1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000158630746 521649853 /nfs/dbraw/zinc/64/98/53/521649853.db2.gz WCUNRPRUCUPTQD-UHFFFAOYSA-N 0 3 317.477 3.010 10 10 DGCEHN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185559664 660229933 /nfs/dbraw/zinc/22/99/33/660229933.db2.gz GQZXTGZTHYWXRZ-OLZOCXBDSA-N 0 3 301.434 3.333 10 10 DGCEHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccc(-n2ccnn2)cc1 ZINC000183630307 660128015 /nfs/dbraw/zinc/12/80/15/660128015.db2.gz YIDBSYFPQVULLE-ZIAGYGMSSA-N 0 3 308.385 3.385 10 10 DGCEHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(-n2ccnn2)cc1 ZINC000183630270 660128079 /nfs/dbraw/zinc/12/80/79/660128079.db2.gz YIDBSYFPQVULLE-KGLIPLIRSA-N 0 3 308.385 3.385 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](C)[C@@H](OC)C3)c2c1 ZINC000190188595 662022144 /nfs/dbraw/zinc/02/21/44/662022144.db2.gz XICPVVLCPDKUTQ-DJJJIMSYSA-N 0 3 315.413 3.411 10 10 DGCEHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](C)[C@@H](OC)C3)c2c1 ZINC000190188595 662022148 /nfs/dbraw/zinc/02/21/48/662022148.db2.gz XICPVVLCPDKUTQ-DJJJIMSYSA-N 0 3 315.413 3.411 10 10 DGCEHN CCOc1ccc([O-])c(C[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000092223348 193176290 /nfs/dbraw/zinc/17/62/90/193176290.db2.gz XCWBOIGHAWQSSY-UHFFFAOYSA-N 0 3 307.434 3.428 10 10 DGCEHN C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1[O-] ZINC000183556345 533545838 /nfs/dbraw/zinc/54/58/38/533545838.db2.gz QWGZGUNXKAUYGF-OLZOCXBDSA-N 0 3 317.820 3.370 10 10 DGCEHN Cc1ccc(N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)nc1 ZINC000183528540 228374518 /nfs/dbraw/zinc/37/45/18/228374518.db2.gz VOBKKRCEOYLQKN-OAHLLOKOSA-N 0 3 311.429 3.415 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c([O-])c1 ZINC000185879365 228399171 /nfs/dbraw/zinc/39/91/71/228399171.db2.gz HDKPTELCBCGYIV-BBRMVZONSA-N 0 3 310.397 3.477 10 10 DGCEHN COc1cccc(C[N@@H+]2CCc3cccc(OC)c3CC2)c1[O-] ZINC000194571785 274145962 /nfs/dbraw/zinc/14/59/62/274145962.db2.gz HVVRMTGNDOURQV-UHFFFAOYSA-N 0 3 313.397 3.010 10 10 DGCEHN COc1cccc(C[N@H+]2CCc3cccc(OC)c3CC2)c1[O-] ZINC000194571785 274145963 /nfs/dbraw/zinc/14/59/63/274145963.db2.gz HVVRMTGNDOURQV-UHFFFAOYSA-N 0 3 313.397 3.010 10 10 DGCEHN Cc1ccc([O-])c(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000120925152 431738388 /nfs/dbraw/zinc/73/83/88/431738388.db2.gz DJEXPLQVHDLAQF-UHFFFAOYSA-N 0 3 322.412 3.123 10 10 DGCEHN CCCOc1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c([O-])c1 ZINC000121256027 431760979 /nfs/dbraw/zinc/76/09/79/431760979.db2.gz WBEWWEBLCBSPSW-AWEZNQCLSA-N 0 3 315.417 3.284 10 10 DGCEHN CCCOc1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c([O-])c1 ZINC000121256027 431760985 /nfs/dbraw/zinc/76/09/85/431760985.db2.gz WBEWWEBLCBSPSW-AWEZNQCLSA-N 0 3 315.417 3.284 10 10 DGCEHN CC[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccccc1[O-] ZINC000192841074 432419917 /nfs/dbraw/zinc/41/99/17/432419917.db2.gz QJRBQYGFTKSJEO-INIZCTEOSA-N 0 3 304.434 3.080 10 10 DGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C12CCOCC2 ZINC000186311189 432581809 /nfs/dbraw/zinc/58/18/09/432581809.db2.gz ZFEVIATYQLSQJC-JCURWCKSSA-N 0 3 323.408 3.156 10 10 DGCEHN Cc1cccc2c1OCC[C@H]2NCc1cc2c(cc1O)OCO2 ZINC000188872075 432750691 /nfs/dbraw/zinc/75/06/91/432750691.db2.gz SMSYRPPJRJGMJN-CQSZACIVSA-N 0 3 313.353 3.043 10 10 DGCEHN Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1[O-] ZINC000245867603 432866729 /nfs/dbraw/zinc/86/67/29/432866729.db2.gz QQMLAXWETUJOLO-MAUKXSAKSA-N 0 3 300.446 3.149 10 10 DGCEHN Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1[O-] ZINC000245867603 432866730 /nfs/dbraw/zinc/86/67/30/432866730.db2.gz QQMLAXWETUJOLO-MAUKXSAKSA-N 0 3 300.446 3.149 10 10 DGCEHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279689903 432990423 /nfs/dbraw/zinc/99/04/23/432990423.db2.gz HZIQADVMSCEKMD-ZFWWWQNUSA-N 0 3 320.433 3.127 10 10 DGCEHN CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000155647929 522583593 /nfs/dbraw/zinc/58/35/93/522583593.db2.gz CWLJGQPKWIWQPC-AWEZNQCLSA-N 0 3 308.422 3.348 10 10 DGCEHN CC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1[O-] ZINC000156509206 522760532 /nfs/dbraw/zinc/76/05/32/522760532.db2.gz ALHIBPDEBLLHHK-ZFWWWQNUSA-N 0 3 314.433 3.163 10 10 DGCEHN CCn1cc(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)cn1 ZINC000180038208 523357818 /nfs/dbraw/zinc/35/78/18/523357818.db2.gz CSGWROVCOJAAMB-UHFFFAOYSA-N 0 3 303.381 3.127 10 10 DGCEHN Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3ccccc3[O-])C2=O)c(C)c1 ZINC000188942599 524276230 /nfs/dbraw/zinc/27/62/30/524276230.db2.gz CWDPYCWIYVIJNF-KRWDZBQOSA-N 0 3 324.424 3.213 10 10 DGCEHN CN(CC1CC1)C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204583 574568033 /nfs/dbraw/zinc/56/80/33/574568033.db2.gz OCKSQEHCONVKDU-UHFFFAOYSA-N 0 3 316.445 3.005 10 10 DGCEHN CN(CC1CC1)C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204583 574568034 /nfs/dbraw/zinc/56/80/34/574568034.db2.gz OCKSQEHCONVKDU-UHFFFAOYSA-N 0 3 316.445 3.005 10 10 DGCEHN CC(C)c1noc(CCC[NH2+][C@H](C)c2cc(F)ccc2[O-])n1 ZINC000185319656 660215304 /nfs/dbraw/zinc/21/53/04/660215304.db2.gz UTPJOAJONDFBKM-LLVKDONJSA-N 0 3 307.369 3.321 10 10 DGCEHN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1ccccc1[O-] ZINC000186122889 660267861 /nfs/dbraw/zinc/26/78/61/660267861.db2.gz UCRLXNSAVQWMSJ-DOTOQJQBSA-N 0 3 301.386 3.175 10 10 DGCEHN C[C@H]1[C@H]([NH2+]Cc2ccccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000189520883 661981173 /nfs/dbraw/zinc/98/11/73/661981173.db2.gz VKDSPHKENGNHLX-DZGCQCFKSA-N 0 3 320.433 3.270 10 10 DGCEHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1C ZINC000092812592 185343459 /nfs/dbraw/zinc/34/34/59/185343459.db2.gz KDHAAWHBBKUDPN-MRXNPFEDSA-N 0 3 311.429 3.338 10 10 DGCEHN Cc1cc([O-])c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1C ZINC000092812592 185343460 /nfs/dbraw/zinc/34/34/60/185343460.db2.gz KDHAAWHBBKUDPN-MRXNPFEDSA-N 0 3 311.429 3.338 10 10 DGCEHN CCOc1cccc(C[NH+]2CCC(OCC(C)C)CC2)c1[O-] ZINC000092223145 193176864 /nfs/dbraw/zinc/17/68/64/193176864.db2.gz LVAGOCQPXQXNNR-UHFFFAOYSA-N 0 3 307.434 3.428 10 10 DGCEHN CCOc1cccc(CN2CCCC[C@H]2c2cn[nH]c2)c1O ZINC000093438150 193251191 /nfs/dbraw/zinc/25/11/91/193251191.db2.gz MFNPHWNGVCIOFN-HNNXBMFYSA-N 0 3 301.390 3.241 10 10 DGCEHN C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(F)ccc1[O-] ZINC000176982484 533338937 /nfs/dbraw/zinc/33/89/37/533338937.db2.gz BJQVCJKIUKJZCP-CYBMUJFWSA-N 0 3 315.392 3.246 10 10 DGCEHN Cc1cc([O-])c(C[NH+]2CCC(Cc3nccn3C)CC2)cc1C ZINC000121772294 431804593 /nfs/dbraw/zinc/80/45/93/431804593.db2.gz MGJZPYBOFCSMMQ-UHFFFAOYSA-N 0 3 313.445 3.197 10 10 DGCEHN CCCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC000093506768 431915822 /nfs/dbraw/zinc/91/58/22/431915822.db2.gz FGWCLHMTEHWYBV-QAPCUYQASA-N 0 3 305.418 3.182 10 10 DGCEHN CCCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC000093506768 431915824 /nfs/dbraw/zinc/91/58/24/431915824.db2.gz FGWCLHMTEHWYBV-QAPCUYQASA-N 0 3 305.418 3.182 10 10 DGCEHN Cc1ccc(O)c([C@@H](C)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000186151609 432563981 /nfs/dbraw/zinc/56/39/81/432563981.db2.gz KDZQQAKPWPXDDP-SNVBAGLBSA-N 0 3 313.323 3.304 10 10 DGCEHN CC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1[O-] ZINC000186325507 522760066 /nfs/dbraw/zinc/76/00/66/522760066.db2.gz WKMKCIISZPDSAJ-ZFWWWQNUSA-N 0 3 314.433 3.163 10 10 DGCEHN Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000182462494 527445321 /nfs/dbraw/zinc/44/53/21/527445321.db2.gz WOJOKIGCVVVCPE-LLVKDONJSA-N 0 3 307.825 3.285 10 10 DGCEHN Oc1cc2c(cc1CN1Cc3ccccc3C3(CC3)C1)OCO2 ZINC000185148523 660203996 /nfs/dbraw/zinc/20/39/96/660203996.db2.gz APMQGUSQGGPKTE-UHFFFAOYSA-N 0 3 309.365 3.168 10 10 DGCEHN COc1cc(Cl)cc(C[N@@H+](C[C@@H](C)OC)C(C)C)c1[O-] ZINC000708277949 660919526 /nfs/dbraw/zinc/91/95/26/660919526.db2.gz JINDQVTXWQURSU-LLVKDONJSA-N 0 3 301.814 3.300 10 10 DGCEHN COc1cc(Cl)cc(C[N@H+](C[C@@H](C)OC)C(C)C)c1[O-] ZINC000708277949 660919527 /nfs/dbraw/zinc/91/95/27/660919527.db2.gz JINDQVTXWQURSU-LLVKDONJSA-N 0 3 301.814 3.300 10 10 DGCEHN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000381799817 685160168 /nfs/dbraw/zinc/16/01/68/685160168.db2.gz UDFFUBYBVZUDEW-OBJOEFQTSA-N 0 3 320.433 3.271 10 10 DGCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000092813336 185343509 /nfs/dbraw/zinc/34/35/09/185343509.db2.gz CVFBACDGYRGMLB-INIZCTEOSA-N 0 3 311.429 3.338 10 10 DGCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000092813336 185343510 /nfs/dbraw/zinc/34/35/10/185343510.db2.gz CVFBACDGYRGMLB-INIZCTEOSA-N 0 3 311.429 3.338 10 10 DGCEHN Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)nc1 ZINC000183528525 228373714 /nfs/dbraw/zinc/37/37/14/228373714.db2.gz VOBKKRCEOYLQKN-HNNXBMFYSA-N 0 3 311.429 3.415 10 10 DGCEHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c([O-])c1 ZINC000185879343 228399540 /nfs/dbraw/zinc/39/95/40/228399540.db2.gz HDKPTELCBCGYIV-CJNGLKHVSA-N 0 3 310.397 3.477 10 10 DGCEHN CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000109844837 431177507 /nfs/dbraw/zinc/17/75/07/431177507.db2.gz LADKBICXMKZTOI-SFHVURJKSA-N 0 3 320.433 3.175 10 10 DGCEHN Oc1cc2c(cc1CN1CC=C(c3cccs3)CC1)OCO2 ZINC000117865055 431580813 /nfs/dbraw/zinc/58/08/13/431580813.db2.gz WWRGIDIREGNQEB-UHFFFAOYSA-N 0 3 315.394 3.472 10 10 DGCEHN CCOc1ccc([O-])c(C[N@H+](CC)CCc2nccs2)c1 ZINC000093764676 431916815 /nfs/dbraw/zinc/91/68/15/431916815.db2.gz YLBBRHCMGKVLRD-UHFFFAOYSA-N 0 3 306.431 3.312 10 10 DGCEHN CCOc1ccc([O-])c(C[N@@H+](CC)CCc2nccs2)c1 ZINC000093764676 431916817 /nfs/dbraw/zinc/91/68/17/431916817.db2.gz YLBBRHCMGKVLRD-UHFFFAOYSA-N 0 3 306.431 3.312 10 10 DGCEHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000183454517 432294954 /nfs/dbraw/zinc/29/49/54/432294954.db2.gz MEMRDQCVXLRMMR-STQMWFEESA-N 0 3 319.426 3.208 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000248529702 432298225 /nfs/dbraw/zinc/29/82/25/432298225.db2.gz WZEHTVZGWQUYOY-WPPQDWHVSA-N 0 3 317.429 3.399 10 10 DGCEHN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309766007 434095189 /nfs/dbraw/zinc/09/51/89/434095189.db2.gz ZLCYSLZJSOCRIN-INIZCTEOSA-N 0 3 314.404 3.143 10 10 DGCEHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N(C)C(=O)OC(C)(C)C ZINC000296389717 341718120 /nfs/dbraw/zinc/71/81/20/341718120.db2.gz JTGDBHMPXGFQHI-JSGCOSHPSA-N 0 3 320.433 3.225 10 10 DGCEHN C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1[O-] ZINC000183556294 533988891 /nfs/dbraw/zinc/98/88/91/533988891.db2.gz QWGZGUNXKAUYGF-QWHCGFSZSA-N 0 3 317.820 3.370 10 10 DGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000185627966 534205337 /nfs/dbraw/zinc/20/53/37/534205337.db2.gz DRIIXEFLHLYROU-JQFCIGGWSA-N 0 3 315.417 3.432 10 10 DGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(Cn3cccn3)CC2)c1[O-] ZINC000180125884 524860532 /nfs/dbraw/zinc/86/05/32/524860532.db2.gz NMMZKGALTVIXBY-UHFFFAOYSA-N 0 3 319.836 3.463 10 10 DGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000180684102 524865290 /nfs/dbraw/zinc/86/52/90/524865290.db2.gz SBARPEQMOQUNOB-KBPBESRZSA-N 0 3 313.850 3.060 10 10 DGCEHN Cc1cc(Cl)cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000180684102 524865301 /nfs/dbraw/zinc/86/53/01/524865301.db2.gz SBARPEQMOQUNOB-KBPBESRZSA-N 0 3 313.850 3.060 10 10 DGCEHN C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000186152071 525548057 /nfs/dbraw/zinc/54/80/57/525548057.db2.gz QBZIMHXJFILNKJ-MRVPVSSYSA-N 0 3 317.286 3.134 10 10 DGCEHN O=C(c1cc([O-])cs1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000732286312 574570945 /nfs/dbraw/zinc/57/09/45/574570945.db2.gz QPJWKHXZZZHRQS-AWEZNQCLSA-N 0 3 322.474 3.182 10 10 DGCEHN C[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1[O-] ZINC000185091876 660201278 /nfs/dbraw/zinc/20/12/78/660201278.db2.gz PXQJSGZRIIMUSS-YOEHRIQHSA-N 0 3 316.420 3.355 10 10 DGCEHN COc1cc(C)cc(CN2CCC[C@H](C(F)(F)F)C2)c1O ZINC000192483989 658433999 /nfs/dbraw/zinc/43/39/99/658433999.db2.gz VVOQZXPHVBJRKI-LBPRGKRZSA-N 0 3 303.324 3.484 10 10 DGCEHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(-n2ccnn2)cc1 ZINC000183630254 660128013 /nfs/dbraw/zinc/12/80/13/660128013.db2.gz YIDBSYFPQVULLE-KBPBESRZSA-N 0 3 308.385 3.385 10 10 DGCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000092813335 185343703 /nfs/dbraw/zinc/34/37/03/185343703.db2.gz CVFBACDGYRGMLB-MRXNPFEDSA-N 0 3 311.429 3.338 10 10 DGCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000092813335 185343704 /nfs/dbraw/zinc/34/37/04/185343704.db2.gz CVFBACDGYRGMLB-MRXNPFEDSA-N 0 3 311.429 3.338 10 10 DGCEHN O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179554836 228352290 /nfs/dbraw/zinc/35/22/90/228352290.db2.gz LRLIWSYRPOJTEO-MRXNPFEDSA-N 0 3 310.397 3.243 10 10 DGCEHN O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179554836 228352291 /nfs/dbraw/zinc/35/22/91/228352291.db2.gz LRLIWSYRPOJTEO-MRXNPFEDSA-N 0 3 310.397 3.243 10 10 DGCEHN Cc1ccc([O-])c([C@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c1 ZINC000185878048 228399669 /nfs/dbraw/zinc/39/96/69/228399669.db2.gz GIGJCYNMJHDDFG-ZFWWWQNUSA-N 0 3 310.397 3.477 10 10 DGCEHN CCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC000014992333 431601166 /nfs/dbraw/zinc/60/11/66/431601166.db2.gz JBKHZUHPLBWAHJ-WBVHZDCISA-N 0 3 316.445 3.005 10 10 DGCEHN CCCCN1C(=O)CC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC000014992333 431601172 /nfs/dbraw/zinc/60/11/72/431601172.db2.gz JBKHZUHPLBWAHJ-WBVHZDCISA-N 0 3 316.445 3.005 10 10 DGCEHN CCOc1cccc(C[N@H+](C)CCc2ncc(C)s2)c1[O-] ZINC000093807212 431917875 /nfs/dbraw/zinc/91/78/75/431917875.db2.gz MFVSLOFFOWEQCL-UHFFFAOYSA-N 0 3 306.431 3.230 10 10 DGCEHN CCOc1cccc(C[N@@H+](C)CCc2ncc(C)s2)c1[O-] ZINC000093807212 431917878 /nfs/dbraw/zinc/91/78/78/431917878.db2.gz MFVSLOFFOWEQCL-UHFFFAOYSA-N 0 3 306.431 3.230 10 10 DGCEHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000183454534 432294928 /nfs/dbraw/zinc/29/49/28/432294928.db2.gz MEMRDQCVXLRMMR-OLZOCXBDSA-N 0 3 319.426 3.208 10 10 DGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000245872249 432867344 /nfs/dbraw/zinc/86/73/44/432867344.db2.gz RWRJCFTWODZKIQ-WMLDXEAASA-N 0 3 317.385 3.082 10 10 DGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000245872249 432867345 /nfs/dbraw/zinc/86/73/45/432867345.db2.gz RWRJCFTWODZKIQ-WMLDXEAASA-N 0 3 317.385 3.082 10 10 DGCEHN c1ccc([C@H](NCc2ccc3c(c2)CCO3)[C@H]2CCOC2)cc1 ZINC000374472550 433201256 /nfs/dbraw/zinc/20/12/56/433201256.db2.gz QMYRATIGSGFCOT-ICSRJNTNSA-N 0 3 309.409 3.489 10 10 DGCEHN Cc1cccc2c1OCC[C@@H]2NCc1cc2c(cc1O)OCO2 ZINC000188945418 524955521 /nfs/dbraw/zinc/95/55/21/524955521.db2.gz SMSYRPPJRJGMJN-AWEZNQCLSA-N 0 3 313.353 3.043 10 10 DGCEHN C[C@H]([NH2+]CC1(C)OCCCO1)c1cc2c(cc1[O-])CCCC2 ZINC000190652122 525315965 /nfs/dbraw/zinc/31/59/65/525315965.db2.gz HKMBEESPJXCPFZ-ZDUSSCGKSA-N 0 3 305.418 3.075 10 10 DGCEHN CCN(C)c1ccc([C@@H](C)NCc2cccnc2N(C)C)cc1 ZINC000154738054 620708824 /nfs/dbraw/zinc/70/88/24/620708824.db2.gz MBTYMELQLIBJQP-OAHLLOKOSA-N 0 3 312.461 3.455 10 10 DGCEHN CC(C)c1noc(CCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000185319635 660215314 /nfs/dbraw/zinc/21/53/14/660215314.db2.gz UTPJOAJONDFBKM-NSHDSACASA-N 0 3 307.369 3.321 10 10 DGCEHN COc1cc(C)cc(CN2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000192484000 658434108 /nfs/dbraw/zinc/43/41/08/658434108.db2.gz VVOQZXPHVBJRKI-GFCCVEGCSA-N 0 3 303.324 3.484 10 10 DGCEHN CC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)c1ccccc1[O-] ZINC000157032533 658982983 /nfs/dbraw/zinc/98/29/83/658982983.db2.gz HVNKWUUOHSYYCF-QGZVFWFLSA-N 0 3 301.434 3.416 10 10 DGCEHN CC[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(N(C)C)cc1 ZINC000246873840 432175714 /nfs/dbraw/zinc/17/57/14/432175714.db2.gz DCUIXZLUPVLNKX-XUVXKRRUSA-N 0 3 310.441 3.452 10 10 DGCEHN Cc1cccc(N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)n1 ZINC000183518016 228374393 /nfs/dbraw/zinc/37/43/93/228374393.db2.gz JXHDCIQBRTVJHA-OAHLLOKOSA-N 0 3 311.429 3.415 10 10 DGCEHN CC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1[O-] ZINC000186325493 432583376 /nfs/dbraw/zinc/58/33/76/432583376.db2.gz WKMKCIISZPDSAJ-UKRRQHHQSA-N 0 3 314.433 3.163 10 10 DGCEHN [O-]c1c(Cl)cccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245644061 432853344 /nfs/dbraw/zinc/85/33/44/432853344.db2.gz FFESWHLGOBAHRX-GUYCJALGSA-N 0 3 320.864 3.494 10 10 DGCEHN [O-]c1c(Cl)cccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245644061 432853345 /nfs/dbraw/zinc/85/33/45/432853345.db2.gz FFESWHLGOBAHRX-GUYCJALGSA-N 0 3 320.864 3.494 10 10 DGCEHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N(C)C(=O)OC(C)(C)C ZINC000296389720 432902908 /nfs/dbraw/zinc/90/29/08/432902908.db2.gz JTGDBHMPXGFQHI-OCCSQVGLSA-N 0 3 320.433 3.225 10 10 DGCEHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279689871 432990567 /nfs/dbraw/zinc/99/05/67/432990567.db2.gz HZIQADVMSCEKMD-HIFRSBDPSA-N 0 3 320.433 3.127 10 10 DGCEHN c1ccc([C@H](NCc2ccc3c(c2)CCO3)[C@@H]2CCOC2)cc1 ZINC000374472551 433198946 /nfs/dbraw/zinc/19/89/46/433198946.db2.gz QMYRATIGSGFCOT-QUCCMNQESA-N 0 3 309.409 3.489 10 10 DGCEHN Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1[O-] ZINC000282962243 433644427 /nfs/dbraw/zinc/64/44/27/433644427.db2.gz IAEUOIKRVZAEFY-ZDUSSCGKSA-N 0 3 308.422 3.046 10 10 DGCEHN CCO[C@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C12CCOCC2 ZINC000185652591 517720507 /nfs/dbraw/zinc/72/05/07/517720507.db2.gz QTEZOPSZABDMLE-ROUUACIJSA-N 0 3 319.445 3.073 10 10 DGCEHN Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000179989074 524682148 /nfs/dbraw/zinc/68/21/48/524682148.db2.gz JCCFNPVXTBMNBP-MRXNPFEDSA-N 0 3 311.429 3.338 10 10 DGCEHN Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000179989074 524682158 /nfs/dbraw/zinc/68/21/58/524682158.db2.gz JCCFNPVXTBMNBP-MRXNPFEDSA-N 0 3 311.429 3.338 10 10 DGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000180684124 524865895 /nfs/dbraw/zinc/86/58/95/524865895.db2.gz SBARPEQMOQUNOB-UONOGXRCSA-N 0 3 313.850 3.060 10 10 DGCEHN Cc1cc(Cl)cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000180684124 524865900 /nfs/dbraw/zinc/86/59/00/524865900.db2.gz SBARPEQMOQUNOB-UONOGXRCSA-N 0 3 313.850 3.060 10 10 DGCEHN Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCO2)c1[O-] ZINC000124529366 623153339 /nfs/dbraw/zinc/15/33/39/623153339.db2.gz INIQGHUXKBZFBA-CYBMUJFWSA-N 0 3 314.223 3.074 10 10 DGCEHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCCO2)c1[O-] ZINC000124529366 623153345 /nfs/dbraw/zinc/15/33/45/623153345.db2.gz INIQGHUXKBZFBA-CYBMUJFWSA-N 0 3 314.223 3.074 10 10 DGCEHN COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185098142 660201875 /nfs/dbraw/zinc/20/18/75/660201875.db2.gz XTLAVOMWXHCVOX-DYVFJYSZSA-N 0 3 301.386 3.093 10 10 DGCEHN Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185560057 660229917 /nfs/dbraw/zinc/22/99/17/660229917.db2.gz MZWGWLUOXWTRQT-GHMZBOCLSA-N 0 3 305.397 3.163 10 10 DGCEHN Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185559625 660229921 /nfs/dbraw/zinc/22/99/21/660229921.db2.gz GQZXTGZTHYWXRZ-STQMWFEESA-N 0 3 301.434 3.333 10 10 DGCEHN CC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1ccccc1[O-] ZINC000157032396 658983032 /nfs/dbraw/zinc/98/30/32/658983032.db2.gz HVNKWUUOHSYYCF-KRWDZBQOSA-N 0 3 301.434 3.416 10 10 DGCEHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccncc2OC)c1 ZINC000188796939 661945347 /nfs/dbraw/zinc/94/53/47/661945347.db2.gz LKNXYFWFLUCPQV-VXGBXAGGSA-N 0 3 302.374 3.216 10 10 DGCEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000382012328 685161701 /nfs/dbraw/zinc/16/17/01/685161701.db2.gz UZZSRWMQINBWKR-DZGCQCFKSA-N 0 3 320.433 3.175 10 10 DGCEHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CN(C(=O)OC(C)(C)C)C1 ZINC000401671429 1093963375 /nfs/dbraw/zinc/96/33/75/1093963375.db2.gz LOQKQCSSQVFEDY-DZGCQCFKSA-N 0 3 320.433 3.127 10 10 DGCEHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1C ZINC000092812593 185343432 /nfs/dbraw/zinc/34/34/32/185343432.db2.gz KDHAAWHBBKUDPN-INIZCTEOSA-N 0 3 311.429 3.338 10 10 DGCEHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1C ZINC000092812593 185343433 /nfs/dbraw/zinc/34/34/33/185343433.db2.gz KDHAAWHBBKUDPN-INIZCTEOSA-N 0 3 311.429 3.338 10 10 DGCEHN CCc1nccn1[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000122830000 431846334 /nfs/dbraw/zinc/84/63/34/431846334.db2.gz UISHYSQPEFANLC-SFHVURJKSA-N 0 3 312.461 3.349 10 10 DGCEHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c([O-])c1 ZINC000185879325 432541920 /nfs/dbraw/zinc/54/19/20/432541920.db2.gz HDKPTELCBCGYIV-XJKSGUPXSA-N 0 3 310.397 3.477 10 10 DGCEHN C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(F)ccc1[O-] ZINC000176982470 533812484 /nfs/dbraw/zinc/81/24/84/533812484.db2.gz BJQVCJKIUKJZCP-ZDUSSCGKSA-N 0 3 315.392 3.246 10 10 DGCEHN [O-]c1c(Cl)cccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000158026772 526327320 /nfs/dbraw/zinc/32/73/20/526327320.db2.gz ICJBQPATEMTOAF-UHFFFAOYSA-N 0 3 308.853 3.353 10 10 DGCEHN CC[C@H](NCc1cccnc1N(C)C)c1ccc(N(C)C)cc1 ZINC000154764807 620716332 /nfs/dbraw/zinc/71/63/32/620716332.db2.gz VZWDUGRYDCAMRU-SFHVURJKSA-N 0 3 312.461 3.455 10 10 DGCEHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCCO2)c1[O-] ZINC000124529154 623153765 /nfs/dbraw/zinc/15/37/65/623153765.db2.gz INIQGHUXKBZFBA-ZDUSSCGKSA-N 0 3 314.223 3.074 10 10 DGCEHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCCO2)c1[O-] ZINC000124529154 623153769 /nfs/dbraw/zinc/15/37/69/623153769.db2.gz INIQGHUXKBZFBA-ZDUSSCGKSA-N 0 3 314.223 3.074 10 10 DGCEHN Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186227946 660350234 /nfs/dbraw/zinc/35/02/34/660350234.db2.gz PXHQUBWCUPYUCX-ZDUSSCGKSA-N 0 3 301.434 3.334 10 10 DGCEHN O=C(CC1CCCC1)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179573516 655909036 /nfs/dbraw/zinc/90/90/36/655909036.db2.gz POGRQBPAQMYRAO-UHFFFAOYSA-N 0 3 316.445 3.053 10 10 DGCEHN CCOc1cccc(CN[C@H](C)c2ccncc2OC)c1O ZINC000189565083 661982264 /nfs/dbraw/zinc/98/22/64/661982264.db2.gz DPOCCEGMCLRIDV-GFCCVEGCSA-N 0 3 302.374 3.045 10 10 DGCEHN CCCN(CCC)c1ccc(CN2CCC[C@H]2C(=O)NC)cc1 ZINC000092099535 662327437 /nfs/dbraw/zinc/32/74/37/662327437.db2.gz JMKJVOVQTFLEOX-SFHVURJKSA-N 0 3 317.477 3.023 10 10 DGCEHN