smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc2ccccc2c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246595770 432147597 /nfs/dbraw/zinc/14/75/97/432147597.db2.gz CXAGUQVBVCYKAE-AEFFLSMTSA-N 1 0 315.438 3.252 10 10 DGCERO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000043288573 183351207 /nfs/dbraw/zinc/35/12/07/183351207.db2.gz ICFYTBLWUCWQDZ-ZDUSSCGKSA-N 1 0 313.397 3.490 10 10 DGCERO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279689889 130757792 /nfs/dbraw/zinc/75/77/92/130757792.db2.gz HZIQADVMSCEKMD-UKRRQHHQSA-N 1 0 320.433 3.127 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O ZINC000183562347 228374301 /nfs/dbraw/zinc/37/43/01/228374301.db2.gz MCALKBGYTBLMMO-GOEBONIOSA-N 1 0 316.445 3.224 10 10 DGCERO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c(O)c1 ZINC000185340781 228391442 /nfs/dbraw/zinc/39/14/42/228391442.db2.gz WIIPKIPFCXHFSI-ZDUSSCGKSA-N 1 0 308.422 3.266 10 10 DGCERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c(O)c1 ZINC000185586032 228393937 /nfs/dbraw/zinc/39/39/37/228393937.db2.gz QNYXEPHTUWMHQO-QWHCGFSZSA-N 1 0 300.406 3.040 10 10 DGCERO Cc1cc(C(=O)N(C)CC(C)(C)C[NH3+])c(C)n1-c1ccccc1 ZINC000262589780 228644841 /nfs/dbraw/zinc/64/48/41/228644841.db2.gz ZRERBLNZYPZQMM-UHFFFAOYSA-N 1 0 313.445 3.151 10 10 DGCERO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC000121033341 431741106 /nfs/dbraw/zinc/74/11/06/431741106.db2.gz PPBICIYFWHCEEW-OAHLLOKOSA-N 1 0 316.367 3.032 10 10 DGCERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000122829788 431846359 /nfs/dbraw/zinc/84/63/59/431846359.db2.gz UISHYSQPEFANLC-GOSISDBHSA-N 1 0 312.461 3.349 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000248516742 432295940 /nfs/dbraw/zinc/29/59/40/432295940.db2.gz OYHOBVWRQLINDC-DCGLDWPTSA-N 1 0 323.458 3.106 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C12CCOCC2 ZINC000248647949 432310332 /nfs/dbraw/zinc/31/03/32/432310332.db2.gz UHNUVZWJZQHHBH-FHLIZLRMSA-N 1 0 319.445 3.325 10 10 DGCERO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cc(Br)ccc1O ZINC000251136214 432367816 /nfs/dbraw/zinc/36/78/16/432367816.db2.gz ZJHCCHLRKOXBPW-TVYUQYBPSA-N 1 0 314.223 3.373 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000184989322 432454553 /nfs/dbraw/zinc/45/45/53/432454553.db2.gz AGUYUKWFPFBZCL-CQSZACIVSA-N 1 0 308.385 3.132 10 10 DGCERO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccnn2C)cc1F ZINC000192848062 432420718 /nfs/dbraw/zinc/42/07/18/432420718.db2.gz HYUFJKUVVXNPDU-ZDUSSCGKSA-N 1 0 304.413 3.256 10 10 DGCERO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccnn2C)c1O ZINC000186992291 432641018 /nfs/dbraw/zinc/64/10/18/432641018.db2.gz QJVFRKODTQLSCB-SNVBAGLBSA-N 1 0 324.222 3.047 10 10 DGCERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000130486743 524742216 /nfs/dbraw/zinc/74/22/16/524742216.db2.gz WUYWUEFUSDNYGN-KDOFPFPSSA-N 1 0 314.429 3.145 10 10 DGCERO Oc1cc2c(cc1C[NH2+]Cc1ccc(C(F)F)cc1)OCO2 ZINC000185172469 546186630 /nfs/dbraw/zinc/18/66/30/546186630.db2.gz XOBMQFXKCQXSNP-UHFFFAOYSA-N 1 0 307.296 3.348 10 10 DGCERO COc1ccc(O)c(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1 ZINC000184778348 660186645 /nfs/dbraw/zinc/18/66/45/660186645.db2.gz STLXLLXGWUHOEO-UHFFFAOYSA-N 1 0 323.396 3.375 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c1 ZINC000186227728 660350381 /nfs/dbraw/zinc/35/03/81/660350381.db2.gz XUOAHXYZYBYCHK-GFCCVEGCSA-N 1 0 317.433 3.035 10 10 DGCERO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCSC2)c1O ZINC000704800774 660820793 /nfs/dbraw/zinc/82/07/93/660820793.db2.gz YKUJDZQZNXOCKG-SNVBAGLBSA-N 1 0 301.839 3.287 10 10 DGCERO COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCCS2)c1O ZINC000715599824 661212654 /nfs/dbraw/zinc/21/26/54/661212654.db2.gz GCETZWNJGLIHOI-GFCCVEGCSA-N 1 0 301.839 3.430 10 10 DGCERO CC[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1ccccc1O ZINC000185213122 656124840 /nfs/dbraw/zinc/12/48/40/656124840.db2.gz NHFCRJVPEQFCPN-SJKOYZFVSA-N 1 0 301.434 3.414 10 10 DGCERO Cc1cc(Br)cc(C[N@@H+]2CCO[C@@H](C)CC2)c1O ZINC000720497663 657804276 /nfs/dbraw/zinc/80/42/76/657804276.db2.gz WCKJZZAUXIYCND-NSHDSACASA-N 1 0 314.223 3.074 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(C)c(OC)c2C)c1 ZINC000182390274 660049364 /nfs/dbraw/zinc/04/93/64/660049364.db2.gz TUFNGBUJKWTJLV-CYBMUJFWSA-N 1 0 316.401 3.272 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccncc2OC)c1 ZINC000188796878 661945385 /nfs/dbraw/zinc/94/53/85/661945385.db2.gz LKNXYFWFLUCPQV-RYUDHWBXSA-N 1 0 302.374 3.216 10 10 DGCERO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccncc2OC)c1 ZINC000189559610 661981694 /nfs/dbraw/zinc/98/16/94/661981694.db2.gz RTAWWCSSUHVIEV-LBPRGKRZSA-N 1 0 302.374 3.045 10 10 DGCERO CC1(C)CC[C@H](C[NH2+]Cc2cc(Br)ccc2O)O1 ZINC000189723768 661989046 /nfs/dbraw/zinc/98/90/46/661989046.db2.gz YTSUXPNQYOBHRG-GFCCVEGCSA-N 1 0 314.223 3.202 10 10 DGCERO COc1ccc(O)c(C[NH2+]CCc2cc(C)c(O)c(C)c2)c1 ZINC000191576301 662072793 /nfs/dbraw/zinc/07/27/93/662072793.db2.gz CCLCUIUANPBAIL-UHFFFAOYSA-N 1 0 301.386 3.056 10 10 DGCERO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)cc1C ZINC000092785630 662335844 /nfs/dbraw/zinc/33/58/44/662335844.db2.gz UVQBPHKTASKWFD-GOSISDBHSA-N 1 0 302.462 3.459 10 10 DGCERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000381816793 685159531 /nfs/dbraw/zinc/15/95/31/685159531.db2.gz CTXOJIRFOLELQC-UONOGXRCSA-N 1 0 321.465 3.144 10 10 DGCERO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000179578651 432063793 /nfs/dbraw/zinc/06/37/93/432063793.db2.gz OQWSDWPCDTWDQZ-SCLBCKFNSA-N 1 0 301.361 3.493 10 10 DGCERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cn(-c2ccccc2)nn1 ZINC000179896079 228353430 /nfs/dbraw/zinc/35/34/30/228353430.db2.gz QXANHHVYILGFLB-KBPBESRZSA-N 1 0 308.385 3.385 10 10 DGCERO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O ZINC000183562379 228374401 /nfs/dbraw/zinc/37/44/01/228374401.db2.gz MCALKBGYTBLMMO-HOCLYGCPSA-N 1 0 316.445 3.224 10 10 DGCERO C[C@@H](Nc1ccnc(C2CC2)n1)c1ccc(N2CCOCC2)cc1 ZINC000110289732 431187086 /nfs/dbraw/zinc/18/70/86/431187086.db2.gz YCNZTZUTFXAQAH-CQSZACIVSA-N 1 0 324.428 3.364 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000248491867 432296588 /nfs/dbraw/zinc/29/65/88/432296588.db2.gz IXMSDKDPYGHRFX-ZQIUZPCESA-N 1 0 307.459 3.406 10 10 DGCERO CC[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccccc1O ZINC000192841084 432420593 /nfs/dbraw/zinc/42/05/93/432420593.db2.gz QJRBQYGFTKSJEO-MRXNPFEDSA-N 1 0 304.434 3.080 10 10 DGCERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185096644 432465052 /nfs/dbraw/zinc/46/50/52/432465052.db2.gz LMPUZCKJBFFBRX-SUMWQHHRSA-N 1 0 301.386 3.093 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc2c(cc1O)CCCC2 ZINC000185662997 432521393 /nfs/dbraw/zinc/52/13/93/432521393.db2.gz TVAMKFBXOPUEOC-BLLLJJGKSA-N 1 0 312.417 3.048 10 10 DGCERO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245644069 432853039 /nfs/dbraw/zinc/85/30/39/432853039.db2.gz FFESWHLGOBAHRX-SUMWQHHRSA-N 1 0 320.864 3.494 10 10 DGCERO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)C(=O)OC(C)(C)C ZINC000296389713 432902974 /nfs/dbraw/zinc/90/29/74/432902974.db2.gz JTGDBHMPXGFQHI-GXTWGEPZSA-N 1 0 320.433 3.225 10 10 DGCERO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000283187801 433687229 /nfs/dbraw/zinc/68/72/29/433687229.db2.gz KICITJKRFQYRCW-QWHCGFSZSA-N 1 0 308.422 3.298 10 10 DGCERO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000185340917 533853026 /nfs/dbraw/zinc/85/30/26/533853026.db2.gz CJURNPFUVAAATA-NSHDSACASA-N 1 0 312.385 3.097 10 10 DGCERO COc1ccc(O)c(C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000378439298 534198521 /nfs/dbraw/zinc/19/85/21/534198521.db2.gz OEARLFOBSOEFLB-UHFFFAOYSA-N 1 0 305.418 3.039 10 10 DGCERO CCOc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000093636934 521147873 /nfs/dbraw/zinc/14/78/73/521147873.db2.gz IENHRFKWBZUGPJ-SJORKVTESA-N 1 0 318.461 3.238 10 10 DGCERO CC[C@@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1O ZINC000156509328 522953223 /nfs/dbraw/zinc/95/32/23/522953223.db2.gz ALHIBPDEBLLHHK-DZGCQCFKSA-N 1 0 314.433 3.163 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000180021832 524744202 /nfs/dbraw/zinc/74/42/02/524744202.db2.gz FIMHPVSPNJSPDG-LIRRHRJNSA-N 1 0 313.397 3.363 10 10 DGCERO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1O ZINC000180331697 524867154 /nfs/dbraw/zinc/86/71/54/524867154.db2.gz OZBITVGYLFRLFF-LBPRGKRZSA-N 1 0 305.809 3.077 10 10 DGCERO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000180265854 525364282 /nfs/dbraw/zinc/36/42/82/525364282.db2.gz QLLIWXYHIGNYNB-LPHOPBHVSA-N 1 0 318.461 3.133 10 10 DGCERO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])c(C)n1-c1ccccc1 ZINC000237683621 526243865 /nfs/dbraw/zinc/24/38/65/526243865.db2.gz ODTGJWBZZPTVKX-QGZVFWFLSA-N 1 0 311.429 3.048 10 10 DGCERO Oc1ccccc1C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000124817273 526371324 /nfs/dbraw/zinc/37/13/24/526371324.db2.gz XRCWVXCNMAZOMV-UHFFFAOYSA-N 1 0 319.351 3.466 10 10 DGCERO Cc1cc(C[N@H+](C)CC(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000111889510 620767475 /nfs/dbraw/zinc/76/74/75/620767475.db2.gz FNCIGZKMQFDHSJ-UHFFFAOYSA-N 1 0 320.477 3.345 10 10 DGCERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000120553116 621915888 /nfs/dbraw/zinc/91/58/88/621915888.db2.gz LENAHEOKSJCDNK-ZIAGYGMSSA-N 1 0 314.477 3.385 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1 ZINC000185319236 660215458 /nfs/dbraw/zinc/21/54/58/660215458.db2.gz PUBKBZQVJMWUSU-LBPRGKRZSA-N 1 0 319.405 3.191 10 10 DGCERO CO[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@H]1C ZINC000707138786 660888723 /nfs/dbraw/zinc/88/87/23/660888723.db2.gz HFJUOGGRWKFGKI-QMTHXVAHSA-N 1 0 314.223 3.012 10 10 DGCERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1O ZINC000188420563 655690792 /nfs/dbraw/zinc/69/07/92/655690792.db2.gz FHKASRIIABWICC-HNNXBMFYSA-N 1 0 305.809 3.215 10 10 DGCERO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1C ZINC000176168535 655739670 /nfs/dbraw/zinc/73/96/70/655739670.db2.gz MWLNCQYNPFCKKY-AWEZNQCLSA-N 1 0 305.418 3.173 10 10 DGCERO CN(C(=O)Nc1ccc(N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310155937 656558906 /nfs/dbraw/zinc/55/89/06/656558906.db2.gz QDWZZWWCQVKIOK-SFHVURJKSA-N 1 0 324.428 3.007 10 10 DGCERO CO[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC[C@H]1C ZINC000249959028 657442340 /nfs/dbraw/zinc/44/23/40/657442340.db2.gz WCZJDPAZHYLSRG-MLGOLLRUSA-N 1 0 307.434 3.252 10 10 DGCERO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722405553 658950705 /nfs/dbraw/zinc/95/07/05/658950705.db2.gz XIAOXEJJXFKUPU-PELKAZGASA-N 1 0 309.715 3.245 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(C)c(OC)c2C)c1 ZINC000182390255 660049475 /nfs/dbraw/zinc/04/94/75/660049475.db2.gz TUFNGBUJKWTJLV-ZDUSSCGKSA-N 1 0 316.401 3.272 10 10 DGCERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccccc1O ZINC000183630285 660128024 /nfs/dbraw/zinc/12/80/24/660128024.db2.gz YIDBSYFPQVULLE-UONOGXRCSA-N 1 0 308.385 3.385 10 10 DGCERO CCOCc1cc(C[NH2+]C[C@H]2CCC(C)(C)O2)ccc1OC ZINC000189716236 661989028 /nfs/dbraw/zinc/98/90/28/661989028.db2.gz OHQMYXRNEBONFM-MRXNPFEDSA-N 1 0 307.434 3.279 10 10 DGCERO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)CC2(CCCC2)O1 ZINC000190463988 662033183 /nfs/dbraw/zinc/03/31/83/662033183.db2.gz SVXDYRKEBLMWSJ-UHFFFAOYSA-N 1 0 319.401 3.045 10 10 DGCERO COC(C)(C)[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000720288239 662306798 /nfs/dbraw/zinc/30/67/98/662306798.db2.gz MSQPFDFDKUGUMZ-VIFPVBQESA-N 1 0 302.212 3.058 10 10 DGCERO c1ccc2c(c1)C[C@@H](C[NH2+]Cc1ccc(N3CCCC3)cc1)O2 ZINC000378929402 1197702541 /nfs/dbraw/zinc/70/25/41/1197702541.db2.gz WPEQYJSTDVDOMR-IBGZPJMESA-N 1 0 308.425 3.380 10 10 DGCERO Cc1ccccc1N1C(=O)[C@@H](C[NH+]2CCCCC2)SC1=S ZINC000005756235 181280638 /nfs/dbraw/zinc/28/06/38/181280638.db2.gz KAEMSVUUBMKFSA-CQSZACIVSA-N 1 0 320.483 3.214 10 10 DGCERO Cc1ccc(N2C(=O)[C@@H](C[NH+]3CCCCC3)SC2=S)cc1 ZINC000005751516 181280696 /nfs/dbraw/zinc/28/06/96/181280696.db2.gz DHPSNKOCTJXHOT-CQSZACIVSA-N 1 0 320.483 3.214 10 10 DGCERO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000179578639 432064315 /nfs/dbraw/zinc/06/43/15/432064315.db2.gz OQWSDWPCDTWDQZ-FZKQIMNGSA-N 1 0 301.361 3.493 10 10 DGCERO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000246796542 432166765 /nfs/dbraw/zinc/16/67/65/432166765.db2.gz QQROXWRHXDPXKM-ZBFHGGJFSA-N 1 0 315.417 3.071 10 10 DGCERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c(O)c1 ZINC000185585995 228393623 /nfs/dbraw/zinc/39/36/23/228393623.db2.gz QNYXEPHTUWMHQO-STQMWFEESA-N 1 0 300.406 3.040 10 10 DGCERO CC[C@@H]([NH2+][C@H]1CCCOC1)c1cc(Br)ccc1O ZINC000109543686 431178846 /nfs/dbraw/zinc/17/88/46/431178846.db2.gz RCWFITFJZSMEBD-WCQYABFASA-N 1 0 314.223 3.374 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C12CCOCC2 ZINC000248653701 432309879 /nfs/dbraw/zinc/30/98/79/432309879.db2.gz ZFEVIATYQLSQJC-OAUYIBNBSA-N 1 0 323.408 3.156 10 10 DGCERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(N(C)C)cc1 ZINC000248710103 432312637 /nfs/dbraw/zinc/31/26/37/432312637.db2.gz IXLYGSTUUNFSQQ-VIBAHUMZSA-N 1 0 300.446 3.361 10 10 DGCERO CC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1O ZINC000192709292 432403530 /nfs/dbraw/zinc/40/35/30/432403530.db2.gz AXRBJVBLDUAIQW-KRWDZBQOSA-N 1 0 311.429 3.497 10 10 DGCERO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249777912 432357429 /nfs/dbraw/zinc/35/74/29/432357429.db2.gz CNEVGKZBPZPWND-OTWHNJEPSA-N 1 0 300.446 3.334 10 10 DGCERO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cc2c(cc1O)CCCC2 ZINC000185663056 432521857 /nfs/dbraw/zinc/52/18/57/432521857.db2.gz TVAMKFBXOPUEOC-WBMJQRKESA-N 1 0 312.417 3.048 10 10 DGCERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185682432 432523596 /nfs/dbraw/zinc/52/35/96/432523596.db2.gz KOHVBNFGTMFSKR-OCCSQVGLSA-N 1 0 300.406 3.040 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C12CCOCC2 ZINC000186312417 432581773 /nfs/dbraw/zinc/58/17/73/432581773.db2.gz UHNUVZWJZQHHBH-BMGDILEWSA-N 1 0 319.445 3.325 10 10 DGCERO C[C@H](CC[NH2+][C@@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C ZINC000297127005 298440554 /nfs/dbraw/zinc/44/05/54/298440554.db2.gz YUWSGZFQOUBFCK-TZMCWYRMSA-N 1 0 320.433 3.272 10 10 DGCERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000529671031 340767525 /nfs/dbraw/zinc/76/75/25/340767525.db2.gz XGPNYOWGKGHVCW-LFNDISMMSA-N 1 0 314.223 3.056 10 10 DGCERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC)c1ccccc1O ZINC000156314925 522520072 /nfs/dbraw/zinc/52/00/72/522520072.db2.gz LPFBPTBDZMYJOP-UONOGXRCSA-N 1 0 300.406 3.122 10 10 DGCERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1c(O)cccc1Cl ZINC000113335424 526457676 /nfs/dbraw/zinc/45/76/76/526457676.db2.gz FYHQENFIMLWKLO-UHFFFAOYSA-N 1 0 314.813 3.050 10 10 DGCERO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000183552421 528331329 /nfs/dbraw/zinc/33/13/29/528331329.db2.gz SEOUUKAFAYWZHW-JSGCOSHPSA-N 1 0 300.406 3.293 10 10 DGCERO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000154989614 620752815 /nfs/dbraw/zinc/75/28/15/620752815.db2.gz BUPMQMQYNUHVIM-KRWDZBQOSA-N 1 0 317.477 3.010 10 10 DGCERO Cc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2ccccc2)c1O ZINC000119542397 621687005 /nfs/dbraw/zinc/68/70/05/621687005.db2.gz KNJKHLHKXLWYFS-INIZCTEOSA-N 1 0 305.805 3.047 10 10 DGCERO COc1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1C ZINC000222021414 627232977 /nfs/dbraw/zinc/23/29/77/627232977.db2.gz UVOWSCSKTXUFDY-UHFFFAOYSA-N 1 0 308.422 3.008 10 10 DGCERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1O ZINC000185091893 660201360 /nfs/dbraw/zinc/20/13/60/660201360.db2.gz PXQJSGZRIIMUSS-PBHICJAKSA-N 1 0 316.420 3.355 10 10 DGCERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185559023 660229613 /nfs/dbraw/zinc/22/96/13/660229613.db2.gz HXIITBYNPZESHZ-STQMWFEESA-N 1 0 301.434 3.333 10 10 DGCERO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc(F)ccc1O ZINC000186080402 660265132 /nfs/dbraw/zinc/26/51/32/660265132.db2.gz PVUJDRYCCWOQCD-LBPRGKRZSA-N 1 0 300.333 3.133 10 10 DGCERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2c(O)cccc2Br)O1 ZINC000706805335 660873347 /nfs/dbraw/zinc/87/33/47/660873347.db2.gz ZEJPEBPYBJNBKJ-MNOVXSKESA-N 1 0 314.223 3.202 10 10 DGCERO CO[C@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@H]1C ZINC000707138788 660888641 /nfs/dbraw/zinc/88/86/41/660888641.db2.gz HFJUOGGRWKFGKI-YGRLFVJLSA-N 1 0 314.223 3.012 10 10 DGCERO COc1cc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c(O)cc1C ZINC000160264307 655558259 /nfs/dbraw/zinc/55/82/59/655558259.db2.gz ZRWXVHDJJXPZPL-MRXNPFEDSA-N 1 0 315.417 3.051 10 10 DGCERO c1ccc(N2CC[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000078821761 655710656 /nfs/dbraw/zinc/71/06/56/655710656.db2.gz DNPFEHLFYOTVRG-QGZVFWFLSA-N 1 0 308.425 3.238 10 10 DGCERO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000309696840 655876264 /nfs/dbraw/zinc/87/62/64/655876264.db2.gz DSSPEYWAPNZCCC-YJBOKZPZSA-N 1 0 310.441 3.490 10 10 DGCERO COc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)cc1C ZINC000179433437 655892827 /nfs/dbraw/zinc/89/28/27/655892827.db2.gz DAAXBQDTOMJCHV-GFCCVEGCSA-N 1 0 303.324 3.484 10 10 DGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)cc1C ZINC000304275701 657617299 /nfs/dbraw/zinc/61/72/99/657617299.db2.gz LFSIRAJSJULHBZ-CQSZACIVSA-N 1 0 322.449 3.349 10 10 DGCERO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[NH2+]CC1 ZINC000231457859 659385283 /nfs/dbraw/zinc/38/52/83/659385283.db2.gz CUKIRBOVPQWYSQ-LBPRGKRZSA-N 1 0 303.233 3.273 10 10 DGCERO COC(=O)c1sccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182371057 660047967 /nfs/dbraw/zinc/04/79/67/660047967.db2.gz IZRQGJDRJCANQS-SNVBAGLBSA-N 1 0 321.398 3.100 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccncc2OC)c1 ZINC000188796897 661945398 /nfs/dbraw/zinc/94/53/98/661945398.db2.gz LKNXYFWFLUCPQV-NEPJUHHUSA-N 1 0 302.374 3.216 10 10 DGCERO Cc1ccc(O)c(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1 ZINC000389943746 685198052 /nfs/dbraw/zinc/19/80/52/685198052.db2.gz OUSTZOWSNNVXKD-UHFFFAOYSA-N 1 0 307.397 3.235 10 10 DGCERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000389836461 1197709850 /nfs/dbraw/zinc/70/98/50/1197709850.db2.gz KLYJJEKEBPWQJY-RDTXWAMCSA-N 1 0 314.404 3.141 10 10 DGCERO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CN(C(=O)OC(C)(C)C)C1 ZINC000401671441 1093963412 /nfs/dbraw/zinc/96/34/12/1093963412.db2.gz LOQKQCSSQVFEDY-ZFWWWQNUSA-N 1 0 320.433 3.127 10 10 DGCERO Cc1cccc(N2C(=O)[C@@H](C[NH+]3CCCCC3)SC2=S)c1 ZINC000005755437 181280815 /nfs/dbraw/zinc/28/08/15/181280815.db2.gz FXFFWPIYVAESOW-CQSZACIVSA-N 1 0 320.483 3.214 10 10 DGCERO COc1cc(O)c(C[NH+]2CCC(OCC(C)C)CC2)cc1OC ZINC000179439716 432058000 /nfs/dbraw/zinc/05/80/00/432058000.db2.gz IBQAAQMINLDOIW-UHFFFAOYSA-N 1 0 323.433 3.046 10 10 DGCERO CCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179662815 432066751 /nfs/dbraw/zinc/06/67/51/432066751.db2.gz YYYQATGKJKPVFC-UHFFFAOYSA-N 1 0 324.852 3.092 10 10 DGCERO Cc1cc(O)c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1C ZINC000190291179 432140178 /nfs/dbraw/zinc/14/01/78/432140178.db2.gz ADGCBVIRTXJVOY-IRXDYDNUSA-N 1 0 317.454 3.278 10 10 DGCERO CCN1CCS/C1=C/c1sc2cc([N+](=O)[O-])ccc2[n+]1C ZINC000038613585 285364066 /nfs/dbraw/zinc/36/40/66/285364066.db2.gz JZNOEOWJBGURCW-UHFFFAOYSA-N 1 0 322.435 3.001 10 10 DGCERO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000185340936 533383574 /nfs/dbraw/zinc/38/35/74/533383574.db2.gz CJURNPFUVAAATA-LLVKDONJSA-N 1 0 312.385 3.097 10 10 DGCERO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000178612325 228344222 /nfs/dbraw/zinc/34/42/22/228344222.db2.gz SKWUGQOYRZRMKX-LLVKDONJSA-N 1 0 319.836 3.215 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000185340466 228391627 /nfs/dbraw/zinc/39/16/27/228391627.db2.gz JFAKPOMXZHZKFD-CYBMUJFWSA-N 1 0 308.422 3.266 10 10 DGCERO CCCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1 ZINC000093506765 431915830 /nfs/dbraw/zinc/91/58/30/431915830.db2.gz FGWCLHMTEHWYBV-CRAIPNDOSA-N 1 0 305.418 3.182 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C12CCC2 ZINC000248530093 432297799 /nfs/dbraw/zinc/29/77/99/432297799.db2.gz XEDYHEJUJUTLFK-OAUYIBNBSA-N 1 0 305.418 3.399 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c(O)c1 ZINC000184989650 432454370 /nfs/dbraw/zinc/45/43/70/432454370.db2.gz BPXMZOVMDMDXRU-CQSZACIVSA-N 1 0 308.385 3.132 10 10 DGCERO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1cc(F)ccc1O ZINC000186032040 432554761 /nfs/dbraw/zinc/55/47/61/432554761.db2.gz LXAXAZKOQKXRCA-NSHDSACASA-N 1 0 322.405 3.064 10 10 DGCERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185683099 432524176 /nfs/dbraw/zinc/52/41/76/432524176.db2.gz JJXUDPUNCLIKDT-GXTWGEPZSA-N 1 0 300.406 3.040 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293247 432579972 /nfs/dbraw/zinc/57/99/72/432579972.db2.gz IKJLFOCEMRCMGM-UONOGXRCSA-N 1 0 314.433 3.081 10 10 DGCERO COc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1 ZINC000245839609 432864833 /nfs/dbraw/zinc/86/48/33/432864833.db2.gz JJBCUCGEYURNRL-LIRRHRJNSA-N 1 0 313.397 3.363 10 10 DGCERO Cc1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000245872750 432867484 /nfs/dbraw/zinc/86/74/84/432867484.db2.gz SBARPEQMOQUNOB-ZIAGYGMSSA-N 1 0 313.850 3.060 10 10 DGCERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000527805146 435015816 /nfs/dbraw/zinc/01/58/16/435015816.db2.gz UIDKIXOQLDXLQB-LFNDISMMSA-N 1 0 314.223 3.056 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000179963654 534198952 /nfs/dbraw/zinc/19/89/52/534198952.db2.gz IJASZDHGRKIPGX-GFCCVEGCSA-N 1 0 304.415 3.237 10 10 DGCERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000180126071 534779734 /nfs/dbraw/zinc/77/97/34/534779734.db2.gz OXZFRHZNKPUHAM-HNNXBMFYSA-N 1 0 305.809 3.215 10 10 DGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c(O)c1 ZINC000186293842 525941675 /nfs/dbraw/zinc/94/16/75/525941675.db2.gz KQYRFGMAHBVWCZ-UONOGXRCSA-N 1 0 314.433 3.081 10 10 DGCERO CCN(Cc1ccccc1)c1ccc(C[NH2+]C2(CO)CC2)cc1 ZINC000120353254 621847981 /nfs/dbraw/zinc/84/79/81/621847981.db2.gz OBJQMNHQBCUINI-UHFFFAOYSA-N 1 0 310.441 3.328 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c(O)c1 ZINC000185319468 660215309 /nfs/dbraw/zinc/21/53/09/660215309.db2.gz PFYCPRGBVASFHP-CYBMUJFWSA-N 1 0 303.406 3.490 10 10 DGCERO Oc1ccc(Br)cc1C[NH2+]CC[C@H]1CCSC1 ZINC000704812926 660820662 /nfs/dbraw/zinc/82/06/62/660820662.db2.gz FLRRHTWTAQSZSR-JTQLQIEISA-N 1 0 316.264 3.388 10 10 DGCERO CSCCCC[NH2+]Cc1c(O)cccc1Br ZINC000706881610 660879407 /nfs/dbraw/zinc/87/94/07/660879407.db2.gz YKVBFTFVZFVSEC-UHFFFAOYSA-N 1 0 304.253 3.388 10 10 DGCERO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1C ZINC000176168554 655739683 /nfs/dbraw/zinc/73/96/83/655739683.db2.gz MWLNCQYNPFCKKY-CQSZACIVSA-N 1 0 305.418 3.173 10 10 DGCERO COc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(O)cc1C ZINC000179433427 655892857 /nfs/dbraw/zinc/89/28/57/655892857.db2.gz DAAXBQDTOMJCHV-LBPRGKRZSA-N 1 0 303.324 3.484 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000185559225 656127218 /nfs/dbraw/zinc/12/72/18/656127218.db2.gz UZWOVWSSAXFIEX-NEPJUHHUSA-N 1 0 317.433 3.033 10 10 DGCERO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000178898199 657117792 /nfs/dbraw/zinc/11/77/92/657117792.db2.gz FCDDHMOSZYWXDK-CQSZACIVSA-N 1 0 305.418 3.173 10 10 DGCERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(C)cc(C)c3O)C2)no1 ZINC000164285675 658928245 /nfs/dbraw/zinc/92/82/45/658928245.db2.gz BMMBZOWERZCKGB-OAHLLOKOSA-N 1 0 315.417 3.155 10 10 DGCERO CCC[N@@H+](Cc1cc(C)cc(OC)c1O)C[C@@H]1CCCCO1 ZINC000164305155 658928767 /nfs/dbraw/zinc/92/87/67/658928767.db2.gz IDTLCWYTNLQQHQ-INIZCTEOSA-N 1 0 307.434 3.490 10 10 DGCERO CCOc1ccccc1C[N@H+](C)Cc1cc(OC)ccc1O ZINC000179680678 659937877 /nfs/dbraw/zinc/93/78/77/659937877.db2.gz OCDNSUVMDLIFNV-UHFFFAOYSA-N 1 0 301.386 3.432 10 10 DGCERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000245888789 659956750 /nfs/dbraw/zinc/95/67/50/659956750.db2.gz JETXGHBMIWWGAU-GWCFXTLKSA-N 1 0 315.244 3.368 10 10 DGCERO CCCN(Cc1cnc2ccc(C#N)cn12)c1ccc(C[NH3+])cc1 ZINC000194980026 662176493 /nfs/dbraw/zinc/17/64/93/662176493.db2.gz QBDRBBSNHKWRBV-UHFFFAOYSA-N 1 0 319.412 3.081 10 10 DGCERO CCOc1ccc(O)c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000092785822 662335851 /nfs/dbraw/zinc/33/58/51/662335851.db2.gz UAMJPHZYIMVRCB-QGZVFWFLSA-N 1 0 318.461 3.241 10 10 DGCERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000381816790 685159929 /nfs/dbraw/zinc/15/99/29/685159929.db2.gz CTXOJIRFOLELQC-KBPBESRZSA-N 1 0 321.465 3.144 10 10 DGCERO CS[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000390573303 685203437 /nfs/dbraw/zinc/20/34/37/685203437.db2.gz VNHRNJRKUQTWCP-CMPLNLGQSA-N 1 0 302.237 3.138 10 10 DGCERO CC[C@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Br)ccc1O ZINC000393969226 685219854 /nfs/dbraw/zinc/21/98/54/685219854.db2.gz WXLHKLHKNSCJGP-SKDRFNHKSA-N 1 0 316.239 3.355 10 10 DGCERO CC(C)(C)OC(=O)NCC1(CC[NH2+]Cc2ccccc2O)CC1 ZINC000404588856 1094261648 /nfs/dbraw/zinc/26/16/48/1094261648.db2.gz PDSFMVHIWXLIMK-UHFFFAOYSA-N 1 0 320.433 3.177 10 10 DGCERO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438415 193252787 /nfs/dbraw/zinc/25/27/87/193252787.db2.gz SLVTWTJWFBHNRL-INIZCTEOSA-N 1 0 301.390 3.241 10 10 DGCERO COc1ccc2c(c1)n1c(c3cccc4cccc(c1=O)c43)[n+]2C ZINC000038611990 183004677 /nfs/dbraw/zinc/00/46/77/183004677.db2.gz LXEMJLWEBHRMCM-UHFFFAOYSA-N 1 0 315.352 3.297 10 10 DGCERO Cn1ccnc1CC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000121776013 431805939 /nfs/dbraw/zinc/80/59/39/431805939.db2.gz WMXFKNMKCKHXIS-UHFFFAOYSA-N 1 0 319.836 3.234 10 10 DGCERO CCOc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1O ZINC000093615106 431916462 /nfs/dbraw/zinc/91/64/62/431916462.db2.gz FIKXNVFJUSHLRQ-SJORKVTESA-N 1 0 318.461 3.238 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000248732950 432315279 /nfs/dbraw/zinc/31/52/79/432315279.db2.gz PBZSVVNTXDSMDX-AADNMHCOSA-N 1 0 303.402 3.009 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000192709548 432403008 /nfs/dbraw/zinc/40/30/08/432403008.db2.gz VVQCGVVEYKMRTB-HNNXBMFYSA-N 1 0 311.429 3.415 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C12CCOCC2 ZINC000185652569 432519557 /nfs/dbraw/zinc/51/95/57/432519557.db2.gz QTEZOPSZABDMLE-ZWKOTPCHSA-N 1 0 319.445 3.073 10 10 DGCERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185682364 432523842 /nfs/dbraw/zinc/52/38/42/432523842.db2.gz SRFNPYJEFYZOGE-MFKMUULPSA-N 1 0 320.824 3.385 10 10 DGCERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)c1 ZINC000185843692 432537505 /nfs/dbraw/zinc/53/75/05/432537505.db2.gz WPWCIINUVFQKBM-NSHDSACASA-N 1 0 324.222 3.010 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293229 432579194 /nfs/dbraw/zinc/57/91/94/432579194.db2.gz IKJLFOCEMRCMGM-ZIAGYGMSSA-N 1 0 314.433 3.081 10 10 DGCERO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187112003 432646062 /nfs/dbraw/zinc/64/60/62/432646062.db2.gz CNEVGKZBPZPWND-QRVBRYPASA-N 1 0 300.446 3.334 10 10 DGCERO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ccco2)cc1OC ZINC000160206887 432709916 /nfs/dbraw/zinc/70/99/16/432709916.db2.gz YSZNHBHZXBEUME-ZDUSSCGKSA-N 1 0 303.358 3.340 10 10 DGCERO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279689856 432990942 /nfs/dbraw/zinc/99/09/42/432990942.db2.gz HZIQADVMSCEKMD-DZGCQCFKSA-N 1 0 320.433 3.127 10 10 DGCERO COc1cc(O)c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1OC ZINC000245537332 295004290 /nfs/dbraw/zinc/00/42/90/295004290.db2.gz IVZFWFNBTRBSSD-DYVFJYSZSA-N 1 0 323.458 3.269 10 10 DGCERO Cc1ccnc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000371887759 434766850 /nfs/dbraw/zinc/76/68/50/434766850.db2.gz JJHWUTIZFAMAIN-UHFFFAOYSA-N 1 0 301.365 3.009 10 10 DGCERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000527805147 337764978 /nfs/dbraw/zinc/76/49/78/337764978.db2.gz UIDKIXOQLDXLQB-PUXPGTEJSA-N 1 0 314.223 3.056 10 10 DGCERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C12CCOCC2 ZINC000185652633 520549214 /nfs/dbraw/zinc/54/92/14/520549214.db2.gz QTEZOPSZABDMLE-MSOLQXFVSA-N 1 0 319.445 3.073 10 10 DGCERO COc1cc(Br)cc([C@@H]([NH3+])c2ccccc2)c1O ZINC000757132618 617643154 /nfs/dbraw/zinc/64/31/54/617643154.db2.gz HUZROAKGSAXSHU-ZDUSSCGKSA-N 1 0 308.175 3.211 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN2CC(C)C)c1 ZINC000186162438 660326547 /nfs/dbraw/zinc/32/65/47/660326547.db2.gz VKWXPMNWZBHZGI-LSDHHAIUSA-N 1 0 306.450 3.172 10 10 DGCERO C[C@H]([NH2+]Cc1ncc(Br)s1)c1ccccc1O ZINC000714928397 661204966 /nfs/dbraw/zinc/20/49/66/661204966.db2.gz XYTPJWOQPWZULU-QMMMGPOBSA-N 1 0 313.220 3.462 10 10 DGCERO CC[N@H+](Cc1cc(Br)cc(C)c1O)[C@@H]1CCOC1 ZINC000311171303 655981253 /nfs/dbraw/zinc/98/12/53/655981253.db2.gz SWVVEANKMFBYNO-CYBMUJFWSA-N 1 0 314.223 3.074 10 10 DGCERO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc2ccccc2c1O ZINC000187704723 656140024 /nfs/dbraw/zinc/14/00/24/656140024.db2.gz AMJGQNIYQBDXJY-NSHDSACASA-N 1 0 310.353 3.088 10 10 DGCERO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722405712 656722532 /nfs/dbraw/zinc/72/25/32/656722532.db2.gz ZXYOZJRKNQMKHN-JQWIXIFHSA-N 1 0 309.715 3.245 10 10 DGCERO Cc1csc([C@@H]2CN(Cc3cc(C)cc(C)c3O)CCO2)n1 ZINC000164245429 658923198 /nfs/dbraw/zinc/92/31/98/658923198.db2.gz HYYLWAARKCHBCQ-HNNXBMFYSA-N 1 0 318.442 3.347 10 10 DGCERO CCC[N@@H+](Cc1cc(C)cc(OC)c1O)C[C@H]1CCCCO1 ZINC000164305270 658928880 /nfs/dbraw/zinc/92/88/80/658928880.db2.gz IDTLCWYTNLQQHQ-MRXNPFEDSA-N 1 0 307.434 3.490 10 10 DGCERO COc1cc(C[NH+]2CCC([C@H](C)O)CC2)c(O)c(C(C)(C)C)c1 ZINC000164372592 658930238 /nfs/dbraw/zinc/93/02/38/658930238.db2.gz QXRVHAGVDJBDDC-ZDUSSCGKSA-N 1 0 321.461 3.291 10 10 DGCERO COc1cc(C)cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1O ZINC000164436648 658934233 /nfs/dbraw/zinc/93/42/33/658934233.db2.gz IGHPIFYUNKWYQT-SJORKVTESA-N 1 0 318.461 3.156 10 10 DGCERO COc1ccc2ccc(O)c(C[NH+]3CCC([C@@H](C)O)CC3)c2c1 ZINC000158608384 661875209 /nfs/dbraw/zinc/87/52/09/661875209.db2.gz FFIKCEKEKZEUCB-CYBMUJFWSA-N 1 0 315.413 3.147 10 10 DGCERO c1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000078821770 662086319 /nfs/dbraw/zinc/08/63/19/662086319.db2.gz DNPFEHLFYOTVRG-KRWDZBQOSA-N 1 0 308.425 3.238 10 10 DGCERO COCC(C)(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000718693145 662260230 /nfs/dbraw/zinc/26/02/30/662260230.db2.gz FSKJJIZDKFBXFF-UHFFFAOYSA-N 1 0 301.814 3.207 10 10 DGCERO COc1cccc(C[N@H+](CCc2nccs2)C(C)C)c1O ZINC000093764274 662359473 /nfs/dbraw/zinc/35/94/73/662359473.db2.gz VCBUFAKUNVLHDG-UHFFFAOYSA-N 1 0 306.431 3.310 10 10 DGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000381846246 685160175 /nfs/dbraw/zinc/16/01/75/685160175.db2.gz YXRYYOGVQYTYME-KBPBESRZSA-N 1 0 322.449 3.395 10 10 DGCERO CC1(C)SC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000390610834 685203264 /nfs/dbraw/zinc/20/32/64/685203264.db2.gz FBSOZVJLNFSNFC-LLVKDONJSA-N 1 0 302.237 3.138 10 10 DGCERO COc1ccc(C[NH2+]Cc2cccc(Br)c2)c(O)c1 ZINC000048818374 1194493180 /nfs/dbraw/zinc/49/31/80/1194493180.db2.gz DFWOJCIARIUNDN-UHFFFAOYSA-N 1 0 322.202 3.453 10 10 DGCERO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc2c1CCC2 ZINC000069707217 1195814026 /nfs/dbraw/zinc/81/40/26/1195814026.db2.gz UKXZRFSMXFERAW-UHFFFAOYSA-N 1 0 322.452 3.302 10 10 DGCERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000389836458 1197710596 /nfs/dbraw/zinc/71/05/96/1197710596.db2.gz KLYJJEKEBPWQJY-KBXCAEBGSA-N 1 0 314.404 3.141 10 10 DGCERO c1csc(SCCC[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000124246024 1200337556 /nfs/dbraw/zinc/33/75/56/1200337556.db2.gz JLMZILPZFQEDAU-UHFFFAOYSA-N 1 0 306.456 3.350 10 10 DGCERO CN(C)c1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000092812383 185343205 /nfs/dbraw/zinc/34/32/05/185343205.db2.gz CNNFCYVUAMLNRK-QGZVFWFLSA-N 1 0 310.445 3.082 10 10 DGCERO Cc1ccccc1N1C(=O)[C@H](C[NH+]2CCCCC2)SC1=S ZINC000005756232 181280938 /nfs/dbraw/zinc/28/09/38/181280938.db2.gz KAEMSVUUBMKFSA-AWEZNQCLSA-N 1 0 320.483 3.214 10 10 DGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1 ZINC000246314691 432118531 /nfs/dbraw/zinc/11/85/31/432118531.db2.gz DZCABWOLSWSRAI-WMZOPIPTSA-N 1 0 324.472 3.467 10 10 DGCERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3ccccc3O)C2)c1 ZINC000179583510 533088115 /nfs/dbraw/zinc/08/81/15/533088115.db2.gz HJWLLIOGSFHPBH-AWEZNQCLSA-N 1 0 313.397 3.399 10 10 DGCERO C[N@H+](CCSc1ccc(N)cc1)CCc1ccc(N)cc1 ZINC000034334388 400385004 /nfs/dbraw/zinc/38/50/04/400385004.db2.gz MPWAFEDFUZVCRL-UHFFFAOYSA-N 1 0 301.459 3.118 10 10 DGCERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000180126086 228355081 /nfs/dbraw/zinc/35/50/81/228355081.db2.gz OXZFRHZNKPUHAM-OAHLLOKOSA-N 1 0 305.809 3.215 10 10 DGCERO CNC(=S)N(C)CCNc1c2ccccc2[nH+]c2ccccc21 ZINC000026752767 431678595 /nfs/dbraw/zinc/67/85/95/431678595.db2.gz LZXUHHGAOZIYPO-UHFFFAOYSA-N 1 0 324.453 3.236 10 10 DGCERO COc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000122791748 431844054 /nfs/dbraw/zinc/84/40/54/431844054.db2.gz CTBRENDRPWOOOK-OAHLLOKOSA-N 1 0 315.417 3.088 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000248491865 432296842 /nfs/dbraw/zinc/29/68/42/432296842.db2.gz IXMSDKDPYGHRFX-VBQJREDUSA-N 1 0 307.459 3.406 10 10 DGCERO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000185370052 432496480 /nfs/dbraw/zinc/49/64/80/432496480.db2.gz LHLKRFOSIZHFOS-WFASDCNBSA-N 1 0 305.805 3.300 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996623 432552699 /nfs/dbraw/zinc/55/26/99/432552699.db2.gz XQZKRKAVVIPPFZ-KBPBESRZSA-N 1 0 314.433 3.081 10 10 DGCERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186096280 432558220 /nfs/dbraw/zinc/55/82/20/432558220.db2.gz BTJOHTFTLXWKGC-TVQRCGJNSA-N 1 0 306.797 3.131 10 10 DGCERO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc2ccccc2c1O ZINC000185662861 432522099 /nfs/dbraw/zinc/52/20/99/432522099.db2.gz SIPOXWFJGGHURO-LRDDRELGSA-N 1 0 308.385 3.323 10 10 DGCERO Oc1cc2c(cc1CN1CCCC[C@H]1c1nccs1)OCO2 ZINC000195303216 432617103 /nfs/dbraw/zinc/61/71/03/432617103.db2.gz OYAHZRCRSDBDRD-LBPRGKRZSA-N 1 0 318.398 3.305 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C12CCOCC2 ZINC000186304989 432578875 /nfs/dbraw/zinc/57/88/75/432578875.db2.gz XBFRXRIDNGRXCA-JCGIZDLHSA-N 1 0 319.445 3.325 10 10 DGCERO C[C@H](NC(=O)OC(C)(C)C)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217395199 432655045 /nfs/dbraw/zinc/65/50/45/432655045.db2.gz JKAUMFPLCIAGFG-AWEZNQCLSA-N 1 0 319.449 3.024 10 10 DGCERO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1ccccc1 ZINC000237859980 432803526 /nfs/dbraw/zinc/80/35/26/432803526.db2.gz BOBHPRWXJJUYKX-SJPCQFCGSA-N 1 0 323.440 3.107 10 10 DGCERO COc1cc(O)c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1OC ZINC000245537330 432839841 /nfs/dbraw/zinc/83/98/41/432839841.db2.gz IVZFWFNBTRBSSD-CXAGYDPISA-N 1 0 323.458 3.269 10 10 DGCERO c1coc(C2=CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000367688823 434554662 /nfs/dbraw/zinc/55/46/62/434554662.db2.gz SRSVPKLBDOJMMO-UHFFFAOYSA-N 1 0 324.424 3.406 10 10 DGCERO Cc1cc(Cl)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000180393210 524866254 /nfs/dbraw/zinc/86/62/54/524866254.db2.gz LORYJXAUFJQYLO-AWEZNQCLSA-N 1 0 308.853 3.272 10 10 DGCERO Cc1cc(Cl)cc(C[NH2+]C[C@H](c2ccco2)N(C)C)c1O ZINC000181617257 524868451 /nfs/dbraw/zinc/86/84/51/524868451.db2.gz KBWVUUCPQYTJOZ-CQSZACIVSA-N 1 0 308.809 3.340 10 10 DGCERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC000128374088 527319892 /nfs/dbraw/zinc/31/98/92/527319892.db2.gz MTLNIOFMWFIOCB-SFHVURJKSA-N 1 0 324.472 3.400 10 10 DGCERO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000119745604 621721655 /nfs/dbraw/zinc/72/16/55/621721655.db2.gz VTAPINHCGYDRHP-AWEZNQCLSA-N 1 0 321.465 3.318 10 10 DGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000222084070 627234217 /nfs/dbraw/zinc/23/42/17/627234217.db2.gz XUVJTMGAYUNATF-CQSZACIVSA-N 1 0 322.449 3.397 10 10 DGCERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185098190 660201902 /nfs/dbraw/zinc/20/19/02/660201902.db2.gz XTLAVOMWXHCVOX-SUMWQHHRSA-N 1 0 301.386 3.093 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1 ZINC000185319252 660215397 /nfs/dbraw/zinc/21/53/97/660215397.db2.gz PUBKBZQVJMWUSU-GFCCVEGCSA-N 1 0 319.405 3.191 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000185559264 660229636 /nfs/dbraw/zinc/22/96/36/660229636.db2.gz UZWOVWSSAXFIEX-VXGBXAGGSA-N 1 0 317.433 3.033 10 10 DGCERO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1OC)c1ccccc1O ZINC000186122873 660267962 /nfs/dbraw/zinc/26/79/62/660267962.db2.gz UCRLXNSAVQWMSJ-WBVHZDCISA-N 1 0 301.386 3.175 10 10 DGCERO C[C@H]1CCC[C@@H](C[NH2+]Cc2c(O)cccc2Br)O1 ZINC000706805340 660873519 /nfs/dbraw/zinc/87/35/19/660873519.db2.gz ZEJPEBPYBJNBKJ-QWRGUYRKSA-N 1 0 314.223 3.202 10 10 DGCERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000176170068 655745002 /nfs/dbraw/zinc/74/50/02/655745002.db2.gz TWUMMCAZPBRCLN-HNNXBMFYSA-N 1 0 317.429 3.045 10 10 DGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)cc1C ZINC000304275700 657617930 /nfs/dbraw/zinc/61/79/30/657617930.db2.gz LFSIRAJSJULHBZ-AWEZNQCLSA-N 1 0 322.449 3.349 10 10 DGCERO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2Br)c(O)c1 ZINC000720680892 658080353 /nfs/dbraw/zinc/08/03/53/658080353.db2.gz KLYFPNYZKXCYRP-JTQLQIEISA-N 1 0 324.222 3.047 10 10 DGCERO CCOc1cccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c1O ZINC000190396529 662031202 /nfs/dbraw/zinc/03/12/02/662031202.db2.gz GUWCGAMRRNYYED-UHFFFAOYSA-N 1 0 315.413 3.446 10 10 DGCERO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195324451 662185168 /nfs/dbraw/zinc/18/51/68/662185168.db2.gz YBFMQYFEHPZEKX-LJQANCHMSA-N 1 0 323.440 3.014 10 10 DGCERO c1cnn(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)c1 ZINC000054175296 1194758027 /nfs/dbraw/zinc/75/80/27/1194758027.db2.gz MBZLVGDYTXGOSR-UHFFFAOYSA-N 1 0 305.381 3.097 10 10 DGCERO c1cc(N2CCSCC2)ccc1C[NH2+]C1CCSCC1 ZINC000079745556 1196983843 /nfs/dbraw/zinc/98/38/43/1196983843.db2.gz OEBRTEMBWLLSPE-UHFFFAOYSA-N 1 0 308.516 3.225 10 10 DGCERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(C)c(C)cc3O)C2)no1 ZINC000103135118 432003940 /nfs/dbraw/zinc/00/39/40/432003940.db2.gz NGNJBDTYTPOERZ-HNNXBMFYSA-N 1 0 315.417 3.155 10 10 DGCERO Cc1ccc([C@H]2C[NH2+]CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC000027187253 182464207 /nfs/dbraw/zinc/46/42/07/182464207.db2.gz HUYKVHJHQMMMOY-CQSZACIVSA-N 1 0 303.789 3.337 10 10 DGCERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(N(C)C)cc1 ZINC000246569857 432145830 /nfs/dbraw/zinc/14/58/30/432145830.db2.gz XVWIDHYURJXJHZ-ZVZYQTTQSA-N 1 0 320.502 3.458 10 10 DGCERO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179554851 228352724 /nfs/dbraw/zinc/35/27/24/228352724.db2.gz LRLIWSYRPOJTEO-INIZCTEOSA-N 1 0 310.397 3.243 10 10 DGCERO Cc1cc(Cl)cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1O ZINC000179982133 228354345 /nfs/dbraw/zinc/35/43/45/228354345.db2.gz CXJNTVRTCVGARA-UHFFFAOYSA-N 1 0 305.809 3.457 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000180021999 274114830 /nfs/dbraw/zinc/11/48/30/274114830.db2.gz FIMHPVSPNJSPDG-IFXJQAMLSA-N 1 0 313.397 3.363 10 10 DGCERO CCOc1cccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000092785656 276379684 /nfs/dbraw/zinc/37/96/84/276379684.db2.gz GWEPRZZJEHDDSB-QGZVFWFLSA-N 1 0 318.461 3.241 10 10 DGCERO c1coc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000093335162 431914812 /nfs/dbraw/zinc/91/48/12/431914812.db2.gz PHBZYJHMMHWQFF-SFHVURJKSA-N 1 0 312.413 3.453 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000248516740 432296455 /nfs/dbraw/zinc/29/64/55/432296455.db2.gz OYHOBVWRQLINDC-AHIWAGSCSA-N 1 0 323.458 3.106 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)[C@H]1Oc1ccccc1 ZINC000248577913 432303838 /nfs/dbraw/zinc/30/38/38/432303838.db2.gz URCUZOJPNNQFTQ-BHIYHBOVSA-N 1 0 313.397 3.107 10 10 DGCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(O)c1 ZINC000248532166 432298630 /nfs/dbraw/zinc/29/86/30/432298630.db2.gz YHTOZPGJOFFGBG-ZQIUZPCESA-N 1 0 307.459 3.406 10 10 DGCERO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000191407037 432262517 /nfs/dbraw/zinc/26/25/17/432262517.db2.gz MCAPARDTJKRNEH-LBPRGKRZSA-N 1 0 322.767 3.233 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293285 432579315 /nfs/dbraw/zinc/57/93/15/432579315.db2.gz IKJLFOCEMRCMGM-KBPBESRZSA-N 1 0 314.433 3.081 10 10 DGCERO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000230167503 432724641 /nfs/dbraw/zinc/72/46/41/432724641.db2.gz RWSIQEQZUHJKAG-CQSZACIVSA-N 1 0 320.433 3.047 10 10 DGCERO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1O ZINC000282962238 433644525 /nfs/dbraw/zinc/64/45/25/433644525.db2.gz IAEUOIKRVZAEFY-CYBMUJFWSA-N 1 0 308.422 3.046 10 10 DGCERO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC12CCOCC2 ZINC000370083095 434607312 /nfs/dbraw/zinc/60/73/12/434607312.db2.gz PKRGCGNWIHKFRT-UHFFFAOYSA-N 1 0 300.446 3.432 10 10 DGCERO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000183552442 528333248 /nfs/dbraw/zinc/33/32/48/528333248.db2.gz SEOUUKAFAYWZHW-GXTWGEPZSA-N 1 0 300.406 3.293 10 10 DGCERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000230684969 546274426 /nfs/dbraw/zinc/27/44/26/546274426.db2.gz AILHQXKBDJHKDC-HIFRSBDPSA-N 1 0 320.433 3.175 10 10 DGCERO Oc1cc2c(cc1C[NH+]1CCN(c3cccs3)CC1)CCC2 ZINC000121659721 622170319 /nfs/dbraw/zinc/17/03/19/622170319.db2.gz XRIKPGVPPJSEGA-UHFFFAOYSA-N 1 0 314.454 3.265 10 10 DGCERO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc(F)ccc1O ZINC000186080422 660265139 /nfs/dbraw/zinc/26/51/39/660265139.db2.gz PVUJDRYCCWOQCD-GFCCVEGCSA-N 1 0 300.333 3.133 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccc1O ZINC000700744070 660634490 /nfs/dbraw/zinc/63/44/90/660634490.db2.gz KLKSSYIJQPRCBZ-KCQAQPDRSA-N 1 0 320.433 3.441 10 10 DGCERO Oc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704812927 660820641 /nfs/dbraw/zinc/82/06/41/660820641.db2.gz FLRRHTWTAQSZSR-SNVBAGLBSA-N 1 0 316.264 3.388 10 10 DGCERO CSC1CC([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000708321247 660920325 /nfs/dbraw/zinc/92/03/25/660920325.db2.gz QQRYEYJVVDLIQM-UHFFFAOYSA-N 1 0 302.237 3.138 10 10 DGCERO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312787109 656210484 /nfs/dbraw/zinc/21/04/84/656210484.db2.gz IMPMJBBWVCGCRE-PHIMTYICSA-N 1 0 315.244 3.130 10 10 DGCERO C[NH2+][C@H](C)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000261712462 657032535 /nfs/dbraw/zinc/03/25/35/657032535.db2.gz KCUJIVSISHZTPO-LLVKDONJSA-N 1 0 319.836 3.085 10 10 DGCERO C[NH2+][C@@H](C)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000261843939 657133110 /nfs/dbraw/zinc/13/31/10/657133110.db2.gz WQBCNDDFABWTEQ-NSHDSACASA-N 1 0 319.836 3.085 10 10 DGCERO COc1ccc(O)c(C[N@H+](C)CCOc2ccc(C)cc2)c1 ZINC000179620070 659935656 /nfs/dbraw/zinc/93/56/56/659935656.db2.gz VVPNYLZOEQWCGO-UHFFFAOYSA-N 1 0 301.386 3.220 10 10 DGCERO CCOCc1cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)ccc1OC ZINC000189716219 661988683 /nfs/dbraw/zinc/98/86/83/661988683.db2.gz OHQMYXRNEBONFM-INIZCTEOSA-N 1 0 307.434 3.279 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000191225994 662057145 /nfs/dbraw/zinc/05/71/45/662057145.db2.gz GMPDNMUKNLYYEU-UHFFFAOYSA-N 1 0 305.418 3.324 10 10 DGCERO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000720164874 662305758 /nfs/dbraw/zinc/30/57/58/662305758.db2.gz HMJOPWDTTLIDTO-SECBINFHSA-N 1 0 302.212 3.058 10 10 DGCERO COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000720197481 662306259 /nfs/dbraw/zinc/30/62/59/662306259.db2.gz VJCCCYFOXPNYIF-SECBINFHSA-N 1 0 302.212 3.058 10 10 DGCERO COc1cccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1O ZINC000093666030 662357979 /nfs/dbraw/zinc/35/79/79/662357979.db2.gz LHWLAFMORLUIHR-MRXNPFEDSA-N 1 0 305.418 3.324 10 10 DGCERO C[C@H]([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000381377009 685156759 /nfs/dbraw/zinc/15/67/59/685156759.db2.gz OGUCVNHWRMXANR-AVGNSLFASA-N 1 0 308.422 3.345 10 10 DGCERO c1cncc(OCC[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000114507471 1199702759 /nfs/dbraw/zinc/70/27/59/1199702759.db2.gz AUNLVLJEROXJBJ-UHFFFAOYSA-N 1 0 311.429 3.241 10 10 DGCERO c1ccc(CN2CCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000236583065 1202613523 /nfs/dbraw/zinc/61/35/23/1202613523.db2.gz YOBCSFDQYYVPHN-FQEVSTJZSA-N 1 0 322.452 3.376 10 10 DGCERO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)N(C)Cc1ccccc1 ZINC000237583586 1202679249 /nfs/dbraw/zinc/67/92/49/1202679249.db2.gz SUPHIZHWNNLXMY-MRXNPFEDSA-N 1 0 310.441 3.232 10 10 DGCERO CC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCCOC1 ZINC000402708134 1082167979 /nfs/dbraw/zinc/16/79/79/1082167979.db2.gz BMWIUBSNFIZVCR-ZDUSSCGKSA-N 1 0 314.223 3.156 10 10 DGCERO Cc1cccnc1C[NH2+]Cc1cc(Br)ccc1O ZINC000106480189 1083203746 /nfs/dbraw/zinc/20/37/46/1083203746.db2.gz KPUOAOFATNUTRN-UHFFFAOYSA-N 1 0 307.191 3.148 10 10 DGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1C ZINC000701925666 1109003515 /nfs/dbraw/zinc/00/35/15/1109003515.db2.gz WLPQNEJQCBTGHH-AWEZNQCLSA-N 1 0 322.449 3.349 10 10 DGCERO c1ccc2c(c1)CCN2CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000393567476 1109035501 /nfs/dbraw/zinc/03/55/01/1109035501.db2.gz LNUBHKYVLJMBAP-UHFFFAOYSA-N 1 0 308.425 3.164 10 10 DGCERO C[C@@H]([NH3+])c1ccc(N2CCCSCC2)c(Br)c1 ZINC000061696407 184183344 /nfs/dbraw/zinc/18/33/44/184183344.db2.gz CWMKYHQAMCZWIB-SNVBAGLBSA-N 1 0 315.280 3.412 10 10 DGCERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1cc(Cl)ccc1O ZINC000185465820 228392469 /nfs/dbraw/zinc/39/24/69/228392469.db2.gz RNLSVBIIMRVJFK-FGDXXIHYSA-N 1 0 303.789 3.355 10 10 DGCERO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccccc1O)C1CC1 ZINC000109844841 431178022 /nfs/dbraw/zinc/17/80/22/431178022.db2.gz LADKBICXMKZTOI-GOSISDBHSA-N 1 0 320.433 3.175 10 10 DGCERO Cc1ccc([C@@H]2C[NH2+]CCc3c(Cl)c(O)c(O)cc32)cc1 ZINC000002567372 431258809 /nfs/dbraw/zinc/25/88/09/431258809.db2.gz HUYKVHJHQMMMOY-AWEZNQCLSA-N 1 0 303.789 3.337 10 10 DGCERO Oc1cc2c(cc1O)[C@@H](COc1ccc(Cl)cc1)[NH2+]CC2 ZINC000031541360 431757833 /nfs/dbraw/zinc/75/78/33/431757833.db2.gz GVALVWDQPXGPCE-CQSZACIVSA-N 1 0 305.761 3.017 10 10 in-man DGCERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000122724517 431842846 /nfs/dbraw/zinc/84/28/46/431842846.db2.gz UXRJQUVTPQNCQC-SFHVURJKSA-N 1 0 312.461 3.440 10 10 DGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000123086669 431853983 /nfs/dbraw/zinc/85/39/83/431853983.db2.gz RZEPLHNFGKTZAL-INIZCTEOSA-N 1 0 315.417 3.133 10 10 DGCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc2c(cc1O)CCCC2 ZINC000251854423 432372054 /nfs/dbraw/zinc/37/20/54/432372054.db2.gz NTCZFLIMFJBCJR-FRXJQCMVSA-N 1 0 301.430 3.489 10 10 DGCERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185096583 432464704 /nfs/dbraw/zinc/46/47/04/432464704.db2.gz LMPUZCKJBFFBRX-DYVFJYSZSA-N 1 0 301.386 3.093 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000186031505 432555137 /nfs/dbraw/zinc/55/51/37/432555137.db2.gz SUVLLPHYOKVDAK-CYBMUJFWSA-N 1 0 318.442 3.233 10 10 DGCERO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ccco2)cc1OC ZINC000160206731 432710469 /nfs/dbraw/zinc/71/04/69/432710469.db2.gz YSZNHBHZXBEUME-CYBMUJFWSA-N 1 0 303.358 3.340 10 10 DGCERO c1cncc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CCO2)c1 ZINC000294952266 434153973 /nfs/dbraw/zinc/15/39/73/434153973.db2.gz HTAZIBUCQWIRKQ-IEBWSBKVSA-N 1 0 310.397 3.026 10 10 DGCERO Cc1cccnc1CC[NH2+]Cc1cc(Br)ccc1O ZINC000295071132 434178890 /nfs/dbraw/zinc/17/88/90/434178890.db2.gz RBDIIPKNIVZRDO-UHFFFAOYSA-N 1 0 321.218 3.190 10 10 DGCERO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)C(=O)OC(C)(C)C ZINC000296389723 341718113 /nfs/dbraw/zinc/71/81/13/341718113.db2.gz JTGDBHMPXGFQHI-TZMCWYRMSA-N 1 0 320.433 3.225 10 10 DGCERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000230684966 518832110 /nfs/dbraw/zinc/83/21/10/518832110.db2.gz AILHQXKBDJHKDC-ZFWWWQNUSA-N 1 0 320.433 3.175 10 10 DGCERO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000180265873 525456100 /nfs/dbraw/zinc/45/61/00/525456100.db2.gz QLLIWXYHIGNYNB-APWZRJJASA-N 1 0 318.461 3.133 10 10 DGCERO COc1ccc2ccc(O)c(C[N@H+](C)C[C@H]3CCCO3)c2c1 ZINC000151740982 620472383 /nfs/dbraw/zinc/47/23/83/620472383.db2.gz YHDBGMSNMUTOMI-OAHLLOKOSA-N 1 0 301.386 3.165 10 10 DGCERO CN(C)c1ccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)cc1 ZINC000221049787 627213319 /nfs/dbraw/zinc/21/33/19/627213319.db2.gz WEWCCMQNPNALJJ-UHFFFAOYSA-N 1 0 321.465 3.146 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000185559245 660229560 /nfs/dbraw/zinc/22/95/60/660229560.db2.gz UZWOVWSSAXFIEX-RYUDHWBXSA-N 1 0 317.433 3.033 10 10 DGCERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186227619 660350261 /nfs/dbraw/zinc/35/02/61/660350261.db2.gz HNTVKZZTNKOMGV-CYBMUJFWSA-N 1 0 301.434 3.334 10 10 DGCERO CC[C@@H]1[C@@H]([NH2+]Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000704613957 660813277 /nfs/dbraw/zinc/81/32/77/660813277.db2.gz FOYRSMVOZRFGSG-LSDHHAIUSA-N 1 0 320.433 3.270 10 10 DGCERO C[C@@H]1CCC[C@H](C[NH2+]Cc2c(O)cccc2Br)O1 ZINC000706805333 660873468 /nfs/dbraw/zinc/87/34/68/660873468.db2.gz ZEJPEBPYBJNBKJ-GHMZBOCLSA-N 1 0 314.223 3.202 10 10 DGCERO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(O)cc1C ZINC000160335639 655610207 /nfs/dbraw/zinc/61/02/07/655610207.db2.gz VSHZYSIPNXCXCO-SJORKVTESA-N 1 0 318.461 3.156 10 10 DGCERO C[C@@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000715081293 661208286 /nfs/dbraw/zinc/20/82/86/661208286.db2.gz OKWIASASWIMLBA-IYXRBSQSSA-N 1 0 320.433 3.346 10 10 DGCERO Cc1ccc(O)c(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000309962798 656114654 /nfs/dbraw/zinc/11/46/54/656114654.db2.gz BFVHRSMVAKAERC-CYBMUJFWSA-N 1 0 308.422 3.046 10 10 DGCERO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000188399981 656145617 /nfs/dbraw/zinc/14/56/17/656145617.db2.gz MWAHAWUXBNXBLJ-LJQANCHMSA-N 1 0 312.461 3.394 10 10 DGCERO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C ZINC000304302443 657622410 /nfs/dbraw/zinc/62/24/10/657622410.db2.gz PERVLVUEINAPJN-AWEZNQCLSA-N 1 0 321.465 3.098 10 10 DGCERO COc1cc(C)cc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1O ZINC000164387922 658930636 /nfs/dbraw/zinc/93/06/36/658930636.db2.gz WLKXEKLPCDEYHL-INIZCTEOSA-N 1 0 315.417 3.051 10 10 DGCERO Cc1cc(C)c(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000164436385 658934628 /nfs/dbraw/zinc/93/46/28/658934628.db2.gz UBSZJNCSIFGSDO-MSOLQXFVSA-N 1 0 302.462 3.456 10 10 DGCERO CN(Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1O ZINC000173359342 659382354 /nfs/dbraw/zinc/38/23/54/659382354.db2.gz MRQHPDFVLFVADU-UHFFFAOYSA-N 1 0 311.360 3.349 10 10 DGCERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)cn1 ZINC000160132853 661901495 /nfs/dbraw/zinc/90/14/95/661901495.db2.gz SXJPUJQPHMQKJS-SFHVURJKSA-N 1 0 311.429 3.342 10 10 DGCERO CN(C)c1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000092785491 662335603 /nfs/dbraw/zinc/33/56/03/662335603.db2.gz RSOKLHMRKABJBM-IBGZPJMESA-N 1 0 301.478 3.203 10 10 DGCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](C)NC(=O)OC(C)(C)C ZINC000381377008 685156650 /nfs/dbraw/zinc/15/66/50/685156650.db2.gz OGUCVNHWRMXANR-AGIUHOORSA-N 1 0 308.422 3.345 10 10 DGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000381846250 685160048 /nfs/dbraw/zinc/16/00/48/685160048.db2.gz YXRYYOGVQYTYME-UONOGXRCSA-N 1 0 322.449 3.395 10 10 DGCERO CS[C@H]1CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000390573306 685202857 /nfs/dbraw/zinc/20/28/57/685202857.db2.gz VNHRNJRKUQTWCP-PWSUYJOCSA-N 1 0 302.237 3.138 10 10 DGCERO c1ccc(C2(C[NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000069675179 1195811388 /nfs/dbraw/zinc/81/13/88/1195811388.db2.gz WFXMSUCRZVQTEF-UHFFFAOYSA-N 1 0 322.452 3.345 10 10 DGCERO [O-]c1c(F)cccc1C[NH2+]Cc1ccc(Br)o1 ZINC000378915518 1197701360 /nfs/dbraw/zinc/70/13/60/1197701360.db2.gz MJTNUDZKBUPPCQ-UHFFFAOYSA-N 1 0 300.127 3.177 10 10 DGCERO CC[C@H]([NH2+]Cc1ccnn1C)c1cc(Br)ccc1O ZINC000071333096 190959068 /nfs/dbraw/zinc/95/90/68/190959068.db2.gz LJLNFDSFIKLXOL-ZDUSSCGKSA-N 1 0 324.222 3.129 10 10 DGCERO Cc1ccccc1[C@H]1C[NH2+]CCc2c(Cl)c(O)c(O)cc21 ZINC000027106322 182462779 /nfs/dbraw/zinc/46/27/79/182462779.db2.gz HXZMFUWALAULEQ-CQSZACIVSA-N 1 0 303.789 3.337 10 10 DGCERO CCN(CCOC)c1ccc([C@@H](C)[NH2+]C)cc1Br ZINC000061697046 184183846 /nfs/dbraw/zinc/18/38/46/184183846.db2.gz PDLAQDHQJXWSRT-LLVKDONJSA-N 1 0 315.255 3.202 10 10 DGCERO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1O ZINC000246796167 432166230 /nfs/dbraw/zinc/16/62/30/432166230.db2.gz QQEDAJIBORUFLU-LSDHHAIUSA-N 1 0 317.385 3.082 10 10 DGCERO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128553627 227011336 /nfs/dbraw/zinc/01/13/36/227011336.db2.gz GUQWDSONZKDDOX-OAHLLOKOSA-N 1 0 322.412 3.049 10 10 DGCERO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccccc1O ZINC000179884725 228353705 /nfs/dbraw/zinc/35/37/05/228353705.db2.gz LWFACQQGHGSHBN-YOEHRIQHSA-N 1 0 310.397 3.238 10 10 DGCERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1O ZINC000183556309 228374501 /nfs/dbraw/zinc/37/45/01/228374501.db2.gz QWGZGUNXKAUYGF-CHWSQXEVSA-N 1 0 317.820 3.370 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c1 ZINC000185877981 228399371 /nfs/dbraw/zinc/39/93/71/228399371.db2.gz GIGJCYNMJHDDFG-UKRRQHHQSA-N 1 0 310.397 3.477 10 10 DGCERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc2ccccc2c1O ZINC000184888813 432443293 /nfs/dbraw/zinc/44/32/93/432443293.db2.gz DDGIVBFIWODKHJ-CQSZACIVSA-N 1 0 312.413 3.209 10 10 DGCERO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccs2)c(O)c1 ZINC000186031841 432555166 /nfs/dbraw/zinc/55/51/66/432555166.db2.gz ZDFIHVCCAMEGGL-ZDUSSCGKSA-N 1 0 318.442 3.233 10 10 DGCERO CC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1O ZINC000186325523 432582755 /nfs/dbraw/zinc/58/27/55/432582755.db2.gz WKMKCIISZPDSAJ-DZGCQCFKSA-N 1 0 314.433 3.163 10 10 DGCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cc2c(cc1O)CCCC2 ZINC000187289278 432655592 /nfs/dbraw/zinc/65/55/92/432655592.db2.gz NTCZFLIMFJBCJR-QZSAOPTASA-N 1 0 301.430 3.489 10 10 DGCERO Cc1cc(Cl)cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1O ZINC000245872741 432867039 /nfs/dbraw/zinc/86/70/39/432867039.db2.gz SBARPEQMOQUNOB-KGLIPLIRSA-N 1 0 313.850 3.060 10 10 DGCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(N(C)C)cc1 ZINC000248710091 290032386 /nfs/dbraw/zinc/03/23/86/290032386.db2.gz IXLYGSTUUNFSQQ-LIRZEXBASA-N 1 0 300.446 3.361 10 10 DGCERO COc1cccc([C@@H]2C[N@H+](Cc3cccc(C)c3O)CCO2)c1 ZINC000180047657 533736044 /nfs/dbraw/zinc/73/60/44/533736044.db2.gz NQLWIMHZVLRROC-SFHVURJKSA-N 1 0 313.397 3.283 10 10 DGCERO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1O ZINC000185879791 533864854 /nfs/dbraw/zinc/86/48/54/533864854.db2.gz XADZEZJFXBHSPZ-FZMZJTMJSA-N 1 0 314.360 3.308 10 10 DGCERO COc1cc(Cl)cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1O ZINC000184686784 533952902 /nfs/dbraw/zinc/95/29/02/533952902.db2.gz KDYLBAWRVXFGMF-UHFFFAOYSA-N 1 0 321.808 3.157 10 10 DGCERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180120393 522595203 /nfs/dbraw/zinc/59/52/03/522595203.db2.gz LDYNGTXGDTWPBM-OAHLLOKOSA-N 1 0 303.381 3.127 10 10 DGCERO C[C@H](CC[NH2+]Cc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C ZINC000222079620 524193646 /nfs/dbraw/zinc/19/36/46/524193646.db2.gz MFNKNTHRXHHLDQ-CYBMUJFWSA-N 1 0 320.433 3.014 10 10 DGCERO Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1O ZINC000180778455 524410469 /nfs/dbraw/zinc/41/04/69/524410469.db2.gz ZJQSQWJGNPWLRA-WMLDXEAASA-N 1 0 319.351 3.287 10 10 DGCERO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000119745728 621721358 /nfs/dbraw/zinc/72/13/58/621721358.db2.gz VTAPINHCGYDRHP-CQSZACIVSA-N 1 0 321.465 3.318 10 10 DGCERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185098161 660201887 /nfs/dbraw/zinc/20/18/87/660201887.db2.gz XTLAVOMWXHCVOX-GUYCJALGSA-N 1 0 301.386 3.093 10 10 DGCERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185560072 660229893 /nfs/dbraw/zinc/22/98/93/660229893.db2.gz MZWGWLUOXWTRQT-WDEREUQCSA-N 1 0 305.397 3.163 10 10 DGCERO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1ccccc1O ZINC000186122908 660267873 /nfs/dbraw/zinc/26/78/73/660267873.db2.gz UCRLXNSAVQWMSJ-NVXWUHKLSA-N 1 0 301.386 3.175 10 10 DGCERO CO[C@H](C)C[N@H+](Cc1c(O)cccc1Br)C(C)C ZINC000707142900 660887988 /nfs/dbraw/zinc/88/79/88/660887988.db2.gz NKJIPEHYZPHTHA-LLVKDONJSA-N 1 0 316.239 3.400 10 10 DGCERO CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)C[C@@H]1CCCCO1 ZINC000160161174 655524247 /nfs/dbraw/zinc/52/42/47/655524247.db2.gz BGJFMZXVWXFPGN-HNNXBMFYSA-N 1 0 323.433 3.191 10 10 DGCERO COc1cc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c(O)cc1C ZINC000160264121 655558078 /nfs/dbraw/zinc/55/80/78/655558078.db2.gz ZRWXVHDJJXPZPL-INIZCTEOSA-N 1 0 315.417 3.051 10 10 DGCERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000176170051 655744961 /nfs/dbraw/zinc/74/49/61/655744961.db2.gz TWUMMCAZPBRCLN-OAHLLOKOSA-N 1 0 317.429 3.045 10 10 DGCERO CCOc1ccc(O)c(C[NH2+]CCc2cc(C)c(O)c(C)c2)c1 ZINC000190395357 655865303 /nfs/dbraw/zinc/86/53/03/655865303.db2.gz MQXAEABXKBKUMA-UHFFFAOYSA-N 1 0 315.413 3.446 10 10 DGCERO CN(C(=O)Nc1ccc(N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310155935 655891864 /nfs/dbraw/zinc/89/18/64/655891864.db2.gz QDWZZWWCQVKIOK-GOSISDBHSA-N 1 0 324.428 3.007 10 10 DGCERO C[C@H]([NH2+]Cc1ccc(Br)cc1O)c1ccns1 ZINC000715965289 661216274 /nfs/dbraw/zinc/21/62/74/661216274.db2.gz JDDMRKLRPOZXLH-QMMMGPOBSA-N 1 0 313.220 3.462 10 10 DGCERO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000124062772 656222684 /nfs/dbraw/zinc/22/26/84/656222684.db2.gz XWLYOZBWHJKQRX-MRXNPFEDSA-N 1 0 318.461 3.099 10 10 DGCERO CCN(CC)c1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1F ZINC000092969840 656258306 /nfs/dbraw/zinc/25/83/06/656258306.db2.gz JHTYUMPNHYXVQG-CQSZACIVSA-N 1 0 308.441 3.265 10 10 DGCERO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000722405709 656722430 /nfs/dbraw/zinc/72/24/30/656722430.db2.gz ZXYOZJRKNQMKHN-CMPLNLGQSA-N 1 0 309.715 3.245 10 10 DGCERO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(N(C)C)cc1 ZINC000178562128 656847905 /nfs/dbraw/zinc/84/79/05/656847905.db2.gz GACUYPPOVGNNNI-ZDUSSCGKSA-N 1 0 302.393 3.235 10 10 DGCERO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722405554 658951294 /nfs/dbraw/zinc/95/12/94/658951294.db2.gz XIAOXEJJXFKUPU-PRHODGIISA-N 1 0 309.715 3.245 10 10 DGCERO Cc1cccc(C[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000227438590 659155110 /nfs/dbraw/zinc/15/51/10/659155110.db2.gz MFERILZXMGETLM-UHFFFAOYSA-N 1 0 307.191 3.148 10 10 DGCERO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188853780 661947765 /nfs/dbraw/zinc/94/77/65/661947765.db2.gz KFTHTBBXSAAVNQ-UHFFFAOYSA-N 1 0 323.440 3.014 10 10 DGCERO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2O)CCCN1C(=O)OC(C)(C)C ZINC000189520901 661980913 /nfs/dbraw/zinc/98/09/13/661980913.db2.gz VKDSPHKENGNHLX-HIFRSBDPSA-N 1 0 320.433 3.270 10 10 DGCERO Oc1cc2c(cc1C[NH+]1CCC([C@@H]3CCCO3)CC1)CCC2 ZINC000190183287 662021856 /nfs/dbraw/zinc/02/18/56/662021856.db2.gz QTUNBWHLKULEDB-IBGZPJMESA-N 1 0 301.430 3.272 10 10 DGCERO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C)[C@@H](OC)C3)c2c1 ZINC000190188577 662022305 /nfs/dbraw/zinc/02/23/05/662022305.db2.gz XICPVVLCPDKUTQ-YJYMSZOUSA-N 1 0 315.413 3.411 10 10 DGCERO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000092813007 662336128 /nfs/dbraw/zinc/33/61/28/662336128.db2.gz KBWYBVGQGSWFGY-SFHVURJKSA-N 1 0 324.472 3.390 10 10 DGCERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000381377013 685156682 /nfs/dbraw/zinc/15/66/82/685156682.db2.gz OGUCVNHWRMXANR-XQQFMLRXSA-N 1 0 308.422 3.345 10 10 DGCERO CCc1cccc(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000724926928 1109161533 /nfs/dbraw/zinc/16/15/33/1109161533.db2.gz SGNBRIOQPJYICS-OAHLLOKOSA-N 1 0 320.433 3.054 10 10 DGCERO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000066699453 432019642 /nfs/dbraw/zinc/01/96/42/432019642.db2.gz DVWXOTXFCPEWKI-HNNXBMFYSA-N 1 0 321.465 3.044 10 10 DGCERO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000092094923 193156197 /nfs/dbraw/zinc/15/61/97/193156197.db2.gz QTAKTAXVDKZVAH-WMLDXEAASA-N 1 0 319.351 3.287 10 10 DGCERO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1O ZINC000093438149 193251320 /nfs/dbraw/zinc/25/13/20/193251320.db2.gz MFNPHWNGVCIOFN-OAHLLOKOSA-N 1 0 301.390 3.241 10 10 DGCERO Nc1ccc(CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020192427 182196216 /nfs/dbraw/zinc/19/62/16/182196216.db2.gz KRTMLVSRCYLHLT-UHFFFAOYSA-N 1 0 309.457 3.019 10 10 DGCERO C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000283187799 533409168 /nfs/dbraw/zinc/40/91/68/533409168.db2.gz KICITJKRFQYRCW-CHWSQXEVSA-N 1 0 308.422 3.298 10 10 DGCERO NC(=[NH2+])c1ccc(OCCCCCOc2ccc(N)cc2)cc1 ZINC000040955514 400402649 /nfs/dbraw/zinc/40/26/49/400402649.db2.gz HQVVKFSXNIDTGJ-UHFFFAOYSA-N 1 0 313.401 3.181 10 10 DGCERO [O-]c1c(Cl)cccc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000180285126 228355825 /nfs/dbraw/zinc/35/58/25/228355825.db2.gz DBQPWYFUMYHVBI-INIZCTEOSA-N 1 0 319.788 3.325 10 10 DGCERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccccc3O)CC2)n1 ZINC000183518000 228374536 /nfs/dbraw/zinc/37/45/36/228374536.db2.gz JXHDCIQBRTVJHA-HNNXBMFYSA-N 1 0 311.429 3.415 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000185585352 228393843 /nfs/dbraw/zinc/39/38/43/228393843.db2.gz JESOZJBJQTTXDF-OLZOCXBDSA-N 1 0 300.406 3.040 10 10 DGCERO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(N(C)C)cc1 ZINC000151494055 432251112 /nfs/dbraw/zinc/25/11/12/432251112.db2.gz FQZWOPXHBNZVQI-HNNXBMFYSA-N 1 0 321.428 3.184 10 10 DGCERO CC[C@H]([NH2+][C@H]1CCCOC1)c1cc(Br)ccc1O ZINC000109543683 431177553 /nfs/dbraw/zinc/17/75/53/431177553.db2.gz RCWFITFJZSMEBD-AAEUAGOBSA-N 1 0 314.223 3.374 10 10 DGCERO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc2ccccc2c1O ZINC000185332759 432490181 /nfs/dbraw/zinc/49/01/81/432490181.db2.gz LMSKRHVWWUFCGM-CYBMUJFWSA-N 1 0 314.385 3.038 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c(O)c1 ZINC000186293826 432578950 /nfs/dbraw/zinc/57/89/50/432578950.db2.gz KQYRFGMAHBVWCZ-ZIAGYGMSSA-N 1 0 314.433 3.081 10 10 DGCERO COc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccccc32)c1O ZINC000228673745 432719315 /nfs/dbraw/zinc/71/93/15/432719315.db2.gz MDUJETJSTBLPIH-CYBMUJFWSA-N 1 0 305.761 3.278 10 10 DGCERO c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H]2CCOC2)cc1 ZINC000374472552 433200950 /nfs/dbraw/zinc/20/09/50/433200950.db2.gz QMYRATIGSGFCOT-UYAOXDASSA-N 1 0 309.409 3.489 10 10 DGCERO C[C@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccccc1O ZINC000283187802 433686881 /nfs/dbraw/zinc/68/68/81/433686881.db2.gz KICITJKRFQYRCW-STQMWFEESA-N 1 0 308.422 3.298 10 10 DGCERO C[N@H+](CCCCOc1ccc(N)cc1)CCc1ccc(N)cc1 ZINC000584595016 337373980 /nfs/dbraw/zinc/37/39/80/337373980.db2.gz QWWFLRZVXJTFIK-UHFFFAOYSA-N 1 0 313.445 3.185 10 10 DGCERO Cc1cc(Cl)cc(C[NH+]2CCC(c3ccnn3C)CC2)c1O ZINC000179981536 524862769 /nfs/dbraw/zinc/86/27/69/524862769.db2.gz HVKGSTAXJNUPLA-UHFFFAOYSA-N 1 0 319.836 3.467 10 10 DGCERO Cc1cc(Cl)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000180393187 524863544 /nfs/dbraw/zinc/86/35/44/524863544.db2.gz LORYJXAUFJQYLO-CQSZACIVSA-N 1 0 308.853 3.272 10 10 DGCERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000230684977 546275278 /nfs/dbraw/zinc/27/52/78/546275278.db2.gz AILHQXKBDJHKDC-UKRRQHHQSA-N 1 0 320.433 3.175 10 10 DGCERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(-n2cncn2)cc1 ZINC000153959185 620627266 /nfs/dbraw/zinc/62/72/66/620627266.db2.gz CNTPUJJWZPERGC-KBPBESRZSA-N 1 0 308.385 3.385 10 10 DGCERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185559645 660229831 /nfs/dbraw/zinc/22/98/31/660229831.db2.gz GQZXTGZTHYWXRZ-CHWSQXEVSA-N 1 0 301.434 3.333 10 10 DGCERO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C ZINC000700753165 660633015 /nfs/dbraw/zinc/63/30/15/660633015.db2.gz SQMWXUHNGBGJPC-RISCZKNCSA-N 1 0 324.396 3.019 10 10 DGCERO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000700744624 660634456 /nfs/dbraw/zinc/63/44/56/660634456.db2.gz BRBFAOPUNSCINB-HIFRSBDPSA-N 1 0 320.433 3.188 10 10 DGCERO C[C@@]1(C[NH2+]Cc2ccc(Br)cc2O)CC1(F)F ZINC000701016582 660649975 /nfs/dbraw/zinc/64/99/75/660649975.db2.gz WMCCITLRKNBTRU-NSHDSACASA-N 1 0 306.150 3.290 10 10 DGCERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706883729 660879330 /nfs/dbraw/zinc/87/93/30/660879330.db2.gz XRYHMOYNVUXNOQ-PUXPGTEJSA-N 1 0 314.223 3.056 10 10 DGCERO C[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1O ZINC000185091931 656123490 /nfs/dbraw/zinc/12/34/90/656123490.db2.gz PXQJSGZRIIMUSS-RHSMWYFYSA-N 1 0 316.420 3.355 10 10 DGCERO CO[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC[C@@H]1C ZINC000190193682 656159443 /nfs/dbraw/zinc/15/94/43/656159443.db2.gz WCZJDPAZHYLSRG-LRDDRELGSA-N 1 0 307.434 3.252 10 10 DGCERO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000178898183 657116979 /nfs/dbraw/zinc/11/69/79/657116979.db2.gz FCDDHMOSZYWXDK-AWEZNQCLSA-N 1 0 305.418 3.173 10 10 DGCERO CO[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC[C@@H]1C ZINC000249959023 657442177 /nfs/dbraw/zinc/44/21/77/657442177.db2.gz WCZJDPAZHYLSRG-BLLLJJGKSA-N 1 0 307.434 3.252 10 10 DGCERO Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1C ZINC000174097776 659412913 /nfs/dbraw/zinc/41/29/13/659412913.db2.gz BJZPITHIRRARNT-MSOLQXFVSA-N 1 0 302.462 3.456 10 10 DGCERO C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccccc1O ZINC000179873219 659944899 /nfs/dbraw/zinc/94/48/99/659944899.db2.gz TWBHBMKPPQNRBU-AWEZNQCLSA-N 1 0 310.397 3.022 10 10 DGCERO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccccc1O ZINC000180392177 659961553 /nfs/dbraw/zinc/96/15/53/659961553.db2.gz YRNTZYOMHOVQMM-DZGCQCFKSA-N 1 0 320.433 3.127 10 10 DGCERO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746581 661832619 /nfs/dbraw/zinc/83/26/19/661832619.db2.gz MKEKQAXECZUKIR-FUNVUKJBSA-N 1 0 315.244 3.414 10 10 DGCERO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccncc2OC)c1 ZINC000189559629 661981718 /nfs/dbraw/zinc/98/17/18/661981718.db2.gz RTAWWCSSUHVIEV-GFCCVEGCSA-N 1 0 302.374 3.045 10 10 DGCERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000246993946 662295894 /nfs/dbraw/zinc/29/58/94/662295894.db2.gz IBHIDJAIQMAYEV-BBRMVZONSA-N 1 0 318.461 3.064 10 10 DGCERO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237404568 1202673399 /nfs/dbraw/zinc/67/33/99/1202673399.db2.gz AKWGKKVPHPXWKU-KRWDZBQOSA-N 1 0 310.441 3.417 10 10 DGCERO Cc1cc(Cl)cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000179796933 432070853 /nfs/dbraw/zinc/07/08/53/432070853.db2.gz AEEVWNVAIOEJPB-UHFFFAOYSA-N 1 0 324.852 3.044 10 10 DGCERO CCN(CCOC)c1ccc([C@H](C)[NH2+]C)cc1Br ZINC000061697047 184183811 /nfs/dbraw/zinc/18/38/11/184183811.db2.gz PDLAQDHQJXWSRT-NSHDSACASA-N 1 0 315.255 3.202 10 10 DGCERO Oc1ccc2ccccc2c1C[NH2+]C[C@H]1CSCCS1 ZINC000125205111 226992929 /nfs/dbraw/zinc/99/29/29/226992929.db2.gz UDJNZQOFIRWNKE-ZDUSSCGKSA-N 1 0 305.468 3.484 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c1 ZINC000185585411 228394443 /nfs/dbraw/zinc/39/44/43/228394443.db2.gz JESOZJBJQTTXDF-QWHCGFSZSA-N 1 0 300.406 3.040 10 10 DGCERO [NH3+]CCCCCCNc1cccc2c1C(=O)c1ccccc1C2=O ZINC000027422205 431688349 /nfs/dbraw/zinc/68/83/49/431688349.db2.gz NIVJPFDJZYTZMA-UHFFFAOYSA-N 1 0 322.408 3.393 10 10 DGCERO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1C ZINC000093457726 431915917 /nfs/dbraw/zinc/91/59/17/431915917.db2.gz WQEAIHUOLWBEOV-LJQANCHMSA-N 1 0 313.397 3.288 10 10 DGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(O)c1 ZINC000248532164 432298108 /nfs/dbraw/zinc/29/81/08/432298108.db2.gz YHTOZPGJOFFGBG-VBQJREDUSA-N 1 0 307.459 3.406 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293263 432579544 /nfs/dbraw/zinc/57/95/44/432579544.db2.gz IKJLFOCEMRCMGM-KGLIPLIRSA-N 1 0 314.433 3.081 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000245872237 432867108 /nfs/dbraw/zinc/86/71/08/432867108.db2.gz RWRJCFTWODZKIQ-RHSMWYFYSA-N 1 0 317.385 3.082 10 10 DGCERO CC(=O)c1cc(Cl)cc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1O ZINC000291148209 433223179 /nfs/dbraw/zinc/22/31/79/433223179.db2.gz ADNULUHCWHTVNM-AWEZNQCLSA-N 1 0 311.809 3.248 10 10 DGCERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000529671032 340767527 /nfs/dbraw/zinc/76/75/27/340767527.db2.gz XGPNYOWGKGHVCW-PUXPGTEJSA-N 1 0 314.223 3.056 10 10 DGCERO CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccccc1O ZINC000155648048 522828703 /nfs/dbraw/zinc/82/87/03/522828703.db2.gz CWLJGQPKWIWQPC-CQSZACIVSA-N 1 0 308.422 3.348 10 10 DGCERO Oc1ccc(Br)cc1C[NH2+][C@@H]1COc2ccccc21 ZINC000105468277 526342356 /nfs/dbraw/zinc/34/23/56/526342356.db2.gz QXWDQQDJUNIPHQ-CYBMUJFWSA-N 1 0 320.186 3.378 10 10 DGCERO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccccc1O ZINC000183552476 528333257 /nfs/dbraw/zinc/33/32/57/528333257.db2.gz SEOUUKAFAYWZHW-TZMCWYRMSA-N 1 0 300.406 3.293 10 10 DGCERO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725848623 575929892 /nfs/dbraw/zinc/92/98/92/575929892.db2.gz YZCVVWVOKPVATQ-ZFWWWQNUSA-N 1 0 303.406 3.331 10 10 DGCERO Cc1cc(CC[NH2+]Cc2ccn(C)n2)c(C)n1-c1ccccc1 ZINC000727465781 576127236 /nfs/dbraw/zinc/12/72/36/576127236.db2.gz RZWGICKNXWQNGA-UHFFFAOYSA-N 1 0 308.429 3.160 10 10 DGCERO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CCCSC1 ZINC000131182398 625961483 /nfs/dbraw/zinc/96/14/83/625961483.db2.gz GSYWZESMJJELTB-HNNXBMFYSA-N 1 0 308.516 3.225 10 10 DGCERO COc1cccc(C[N@H+](C)CCOc2ccc(C)cc2)c1O ZINC000121504782 630430317 /nfs/dbraw/zinc/43/03/17/630430317.db2.gz VVLWUPDYAIKEQN-UHFFFAOYSA-N 1 0 301.386 3.220 10 10 DGCERO CCc1cnc(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)s1 ZINC000185583339 660231815 /nfs/dbraw/zinc/23/18/15/660231815.db2.gz XERAVIIQQFULAE-NSHDSACASA-N 1 0 306.431 3.313 10 10 DGCERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706883730 660879325 /nfs/dbraw/zinc/87/93/25/660879325.db2.gz XRYHMOYNVUXNOQ-QOBXEIRBSA-N 1 0 314.223 3.056 10 10 DGCERO COc1cc(C[N@H+](C)CCc2ncc(C)s2)c(O)cc1C ZINC000160496121 655646906 /nfs/dbraw/zinc/64/69/06/655646906.db2.gz XZSRCJGBBOUUDE-UHFFFAOYSA-N 1 0 306.431 3.149 10 10 DGCERO Cc1cccc(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c1O ZINC000715079769 661207619 /nfs/dbraw/zinc/20/76/19/661207619.db2.gz GKTWXCNHAVRGEB-UHFFFAOYSA-N 1 0 320.433 3.094 10 10 DGCERO C[C@H]([NH2+]Cc1c(O)cccc1Br)c1ccns1 ZINC000716032224 661216756 /nfs/dbraw/zinc/21/67/56/661216756.db2.gz BKXCVPHMCNUDPK-QMMMGPOBSA-N 1 0 313.220 3.462 10 10 DGCERO COc1ccc(O)c(C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000180538792 656093598 /nfs/dbraw/zinc/09/35/98/656093598.db2.gz PFKNJIRFBKQPHI-UHFFFAOYSA-N 1 0 306.431 3.310 10 10 DGCERO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000124062535 656222350 /nfs/dbraw/zinc/22/23/50/656222350.db2.gz XWLYOZBWHJKQRX-INIZCTEOSA-N 1 0 318.461 3.099 10 10 DGCERO CCN(CC)c1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1F ZINC000092969842 656258152 /nfs/dbraw/zinc/25/81/52/656258152.db2.gz JHTYUMPNHYXVQG-AWEZNQCLSA-N 1 0 308.441 3.265 10 10 DGCERO COc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000125086324 656266681 /nfs/dbraw/zinc/26/66/81/656266681.db2.gz HMJQXMNJHDKZDO-STQMWFEESA-N 1 0 307.434 3.308 10 10 DGCERO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(N(C)C)cc1 ZINC000178562139 656848258 /nfs/dbraw/zinc/84/82/58/656848258.db2.gz GACUYPPOVGNNNI-CYBMUJFWSA-N 1 0 302.393 3.235 10 10 DGCERO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C)[C@H](OC)C3)c2c1 ZINC000249968631 657442204 /nfs/dbraw/zinc/44/22/04/657442204.db2.gz XICPVVLCPDKUTQ-BFUOFWGJSA-N 1 0 315.413 3.411 10 10 DGCERO CC1([NH2+]Cc2c(O)cccc2Br)CC(F)(F)C1 ZINC000720934077 658236820 /nfs/dbraw/zinc/23/68/20/658236820.db2.gz CGTCDNHAQULMIR-UHFFFAOYSA-N 1 0 306.150 3.432 10 10 DGCERO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000164504366 658937575 /nfs/dbraw/zinc/93/75/75/658937575.db2.gz IEROVDIHHAQJQU-HNNXBMFYSA-N 1 0 319.426 3.344 10 10 DGCERO COc1ccc2ccc(O)c(C[N@@H+]3CCS[C@@H](C)C3)c2c1 ZINC000171606550 659291075 /nfs/dbraw/zinc/29/10/75/659291075.db2.gz XOPHZTMBADZEIZ-LBPRGKRZSA-N 1 0 303.427 3.491 10 10 DGCERO C[C@H]([NH2+]CCCn1ccnn1)c1ccc(N2CCCCC2)cc1 ZINC000184267226 660161154 /nfs/dbraw/zinc/16/11/54/660161154.db2.gz PMSNXMGLTORXLS-INIZCTEOSA-N 1 0 313.449 3.009 10 10 DGCERO COc1ccc2ccc(O)c(C[NH+]3CCC([C@H](C)O)CC3)c2c1 ZINC000158608220 661875202 /nfs/dbraw/zinc/87/52/02/661875202.db2.gz FFIKCEKEKZEUCB-ZDUSSCGKSA-N 1 0 315.413 3.147 10 10 DGCERO Cc1nc(C[NH2+]Cc2ccccc2O)sc1Br ZINC000719312043 662273187 /nfs/dbraw/zinc/27/31/87/662273187.db2.gz WLAYWSIXVREBFG-UHFFFAOYSA-N 1 0 313.220 3.209 10 10 DGCERO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000381387570 685156608 /nfs/dbraw/zinc/15/66/08/685156608.db2.gz RBCTYOYQYPCEOV-CHWSQXEVSA-N 1 0 308.422 3.092 10 10 DGCERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000381377011 685156636 /nfs/dbraw/zinc/15/66/36/685156636.db2.gz OGUCVNHWRMXANR-UPJWGTAASA-N 1 0 308.422 3.345 10 10 DGCERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000381799820 685160148 /nfs/dbraw/zinc/16/01/48/685160148.db2.gz UDFFUBYBVZUDEW-SGMGOOAPSA-N 1 0 320.433 3.271 10 10 DGCERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000236836813 1202627962 /nfs/dbraw/zinc/62/79/62/1202627962.db2.gz STOASSZRWYVEHF-LJQANCHMSA-N 1 0 301.478 3.251 10 10 DGCERO c1ccc(CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000072659238 1081960872 /nfs/dbraw/zinc/96/08/72/1081960872.db2.gz ZFUZXUKTCLKNQT-UHFFFAOYSA-N 1 0 310.441 3.246 10 10 DGCERO CCc1cccc(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c1O ZINC000724926926 1109161759 /nfs/dbraw/zinc/16/17/59/1109161759.db2.gz SGNBRIOQPJYICS-HNNXBMFYSA-N 1 0 320.433 3.054 10 10 DGCERO COc1ccc2c(c1O)[C@@H](Cc1ccc(O)cc1)[N+](C)(C)CC2 ZINC000006068298 181310581 /nfs/dbraw/zinc/31/05/81/181310581.db2.gz POJZOQWVMMYVBU-MRXNPFEDSA-O 1 0 314.405 3.023 10 10 endogenous,in-man DGCERO COc1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000396180904 257103040 /nfs/dbraw/zinc/10/30/40/257103040.db2.gz GOCDRVGIPIWKBO-HDICACEKSA-N 1 0 308.425 3.263 10 10 DGCERO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O ZINC000183562394 533543331 /nfs/dbraw/zinc/54/33/31/533543331.db2.gz MCALKBGYTBLMMO-ZBFHGGJFSA-N 1 0 316.445 3.224 10 10 DGCERO COc1ccc(N(CC[NH+]2CCCC2)Cc2ccccn2)cc1 ZINC000002012483 400081461 /nfs/dbraw/zinc/08/14/61/400081461.db2.gz IVGQOXLSSOMKAB-UHFFFAOYSA-N 1 0 311.429 3.193 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2O)C12CCOCC2 ZINC000248544581 286288841 /nfs/dbraw/zinc/28/88/41/286288841.db2.gz DPXQHJOQHMZNNR-CGTJXYLNSA-N 1 0 319.445 3.407 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000248484990 286339168 /nfs/dbraw/zinc/33/91/68/286339168.db2.gz DRIIXEFLHLYROU-RRQGHBQHSA-N 1 0 315.417 3.432 10 10 DGCERO Cc1cc(O)c(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1C ZINC000185694033 228396128 /nfs/dbraw/zinc/39/61/28/228396128.db2.gz DOURKQYYAMKCNC-UHFFFAOYSA-N 1 0 311.429 3.116 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)ccc1O ZINC000248521684 432298413 /nfs/dbraw/zinc/29/84/13/432298413.db2.gz ROJDQMRYXHRTCR-GHJWDPDVSA-N 1 0 311.422 3.237 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C12CCOCC2 ZINC000248653699 432309823 /nfs/dbraw/zinc/30/98/23/432309823.db2.gz ZFEVIATYQLSQJC-CSMYWGQOSA-N 1 0 323.408 3.156 10 10 DGCERO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1O ZINC000185879756 432541892 /nfs/dbraw/zinc/54/18/92/432541892.db2.gz XADZEZJFXBHSPZ-SMDDNHRTSA-N 1 0 314.360 3.308 10 10 DGCERO C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000223662006 432678438 /nfs/dbraw/zinc/67/84/38/432678438.db2.gz BWPHXUJIGOQNKA-UONOGXRCSA-N 1 0 320.433 3.300 10 10 DGCERO CCCOc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1 ZINC000245707349 432857490 /nfs/dbraw/zinc/85/74/90/432857490.db2.gz FGWCLHMTEHWYBV-MAUKXSAKSA-N 1 0 305.418 3.182 10 10 DGCERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000527805149 435015826 /nfs/dbraw/zinc/01/58/26/435015826.db2.gz UIDKIXOQLDXLQB-RZGXBDKHSA-N 1 0 314.223 3.056 10 10 DGCERO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O ZINC000180331716 524864993 /nfs/dbraw/zinc/86/49/93/524864993.db2.gz OZBITVGYLFRLFF-GFCCVEGCSA-N 1 0 305.809 3.077 10 10 DGCERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(N2CCCCC2)cc1 ZINC000190660833 525316217 /nfs/dbraw/zinc/31/62/17/525316217.db2.gz NUWWBMNJSGJUFS-INIZCTEOSA-N 1 0 318.461 3.481 10 10 DGCERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(N2CCCCC2)cc1 ZINC000190660857 525419276 /nfs/dbraw/zinc/41/92/76/525419276.db2.gz NUWWBMNJSGJUFS-MRXNPFEDSA-N 1 0 318.461 3.481 10 10 DGCERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC000128373900 527301098 /nfs/dbraw/zinc/30/10/98/527301098.db2.gz MTLNIOFMWFIOCB-GOSISDBHSA-N 1 0 324.472 3.400 10 10 DGCERO COc1cc(Br)cc([C@H]([NH3+])c2ccccc2)c1O ZINC000757132603 617643322 /nfs/dbraw/zinc/64/33/22/617643322.db2.gz HUZROAKGSAXSHU-CYBMUJFWSA-N 1 0 308.175 3.211 10 10 DGCERO Cc1cc(O)c(C[NH+]2CCN(c3cccc(O)c3)CC2)cc1C ZINC000153380071 620557197 /nfs/dbraw/zinc/55/71/97/620557197.db2.gz CRCDIHMJSNJKLU-UHFFFAOYSA-N 1 0 312.413 3.037 10 10 DGCERO CCN(C)c1ccc([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124177544 622946409 /nfs/dbraw/zinc/94/64/09/622946409.db2.gz BWRBOGIIZKHNQD-AWEZNQCLSA-N 1 0 314.477 3.386 10 10 DGCERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)c1ccccc1O ZINC000700744071 660634425 /nfs/dbraw/zinc/63/44/25/660634425.db2.gz KLKSSYIJQPRCBZ-VNHYZAJKSA-N 1 0 320.433 3.441 10 10 DGCERO Oc1cccc(Br)c1C[NH2+]CC[C@H]1CCSC1 ZINC000704819775 660820564 /nfs/dbraw/zinc/82/05/64/660820564.db2.gz BSPJAZKCKLMPGN-JTQLQIEISA-N 1 0 316.264 3.388 10 10 DGCERO C[C@]1(C[NH2+]Cc2c(O)cccc2Br)CC1(F)F ZINC000706872915 660875966 /nfs/dbraw/zinc/87/59/66/660875966.db2.gz UUTFSOPKHWGAKR-LLVKDONJSA-N 1 0 306.150 3.290 10 10 DGCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000320739388 657802883 /nfs/dbraw/zinc/80/28/83/657802883.db2.gz SWUATHJMHMFYGZ-KVWWFHCMSA-N 1 0 300.446 3.192 10 10 DGCERO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1O ZINC000721892830 658803008 /nfs/dbraw/zinc/80/30/08/658803008.db2.gz XTVZAHWMOAKODY-UMVBOHGHSA-N 1 0 320.433 3.298 10 10 DGCERO COc1cc(C)cc(C[N@H+](C)Cc2ccc(Cl)nc2)c1O ZINC000163895869 658907048 /nfs/dbraw/zinc/90/70/48/658907048.db2.gz UIZXEOTUWSQKIY-UHFFFAOYSA-N 1 0 306.793 3.390 10 10 DGCERO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000722405555 658950394 /nfs/dbraw/zinc/95/03/94/658950394.db2.gz XIAOXEJJXFKUPU-QPUJVOFHSA-N 1 0 309.715 3.245 10 10 DGCERO CCN(CC)c1ccc(C[NH2+][C@@H](COC)C2CCOCC2)cc1 ZINC000187795622 661903976 /nfs/dbraw/zinc/90/39/76/661903976.db2.gz LAJJMGJIEHJGHT-IBGZPJMESA-N 1 0 320.477 3.064 10 10 DGCERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c1O ZINC000188420537 661930360 /nfs/dbraw/zinc/93/03/60/661930360.db2.gz FHKASRIIABWICC-OAHLLOKOSA-N 1 0 305.809 3.215 10 10 DGCERO CCOc1ccc(O)c(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000092785821 662335826 /nfs/dbraw/zinc/33/58/26/662335826.db2.gz UAMJPHZYIMVRCB-KRWDZBQOSA-N 1 0 318.461 3.241 10 10 DGCERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000248532650 662352041 /nfs/dbraw/zinc/35/20/41/662352041.db2.gz YPYAJTHOPDDWPY-OWQGQXMQSA-N 1 0 303.446 3.473 10 10 DGCERO COc1cccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1O ZINC000093666029 662358419 /nfs/dbraw/zinc/35/84/19/662358419.db2.gz LHWLAFMORLUIHR-INIZCTEOSA-N 1 0 305.418 3.324 10 10 DGCERO C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccccc1O ZINC000389948061 685198383 /nfs/dbraw/zinc/19/83/83/685198383.db2.gz VMVFGGDVEMYYIG-OAHLLOKOSA-N 1 0 307.397 3.488 10 10 DGCERO c1ccc2[nH]c(CCC[NH2+]Cc3ccc4c(c3)CCO4)nc2c1 ZINC000077325342 1196588189 /nfs/dbraw/zinc/58/81/89/1196588189.db2.gz JJNCKYRCXXWLNO-UHFFFAOYSA-N 1 0 307.397 3.220 10 10 DGCERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000237516710 1202675645 /nfs/dbraw/zinc/67/56/45/1202675645.db2.gz MALQOJFNDZGVRW-UZLBHIALSA-N 1 0 322.452 3.232 10 10 DGCERO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237575174 1202678914 /nfs/dbraw/zinc/67/89/14/1202678914.db2.gz AKWGKKVPHPXWKU-QGZVFWFLSA-N 1 0 310.441 3.417 10 10 DGCERO CN(C)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000248725930 1203809987 /nfs/dbraw/zinc/80/99/87/1203809987.db2.gz IILUOZSUKOVYMW-ROUUACIJSA-N 1 0 320.502 3.239 10 10 DGCERO c1ccc2c(c1)OC[C@H](C[NH2+]Cc1ccc(N3CCCC3)cc1)O2 ZINC000393429829 1109012694 /nfs/dbraw/zinc/01/26/94/1109012694.db2.gz SFCMQYRMOKUQQX-SFHVURJKSA-N 1 0 324.424 3.216 10 10 DGCERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(C)c(C)cc3O)C2)no1 ZINC000103135116 432003696 /nfs/dbraw/zinc/00/36/96/432003696.db2.gz NGNJBDTYTPOERZ-OAHLLOKOSA-N 1 0 315.417 3.155 10 10 DGCERO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000066699452 432019804 /nfs/dbraw/zinc/01/98/04/432019804.db2.gz DVWXOTXFCPEWKI-OAHLLOKOSA-N 1 0 321.465 3.044 10 10 DGCERO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438414 193253288 /nfs/dbraw/zinc/25/32/88/193253288.db2.gz SLVTWTJWFBHNRL-MRXNPFEDSA-N 1 0 301.390 3.241 10 10 DGCERO CC[C@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000062460738 184238213 /nfs/dbraw/zinc/23/82/13/184238213.db2.gz XZDSCWMKXOMQOQ-GOSISDBHSA-N 1 0 309.413 3.044 10 10 DGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1O ZINC000180053203 228354253 /nfs/dbraw/zinc/35/42/53/228354253.db2.gz MKFNQUPOWQGQNG-HNNXBMFYSA-N 1 0 305.809 3.425 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000185340485 228391335 /nfs/dbraw/zinc/39/13/35/228391335.db2.gz JFAKPOMXZHZKFD-ZDUSSCGKSA-N 1 0 308.422 3.266 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c1 ZINC000185585392 228394267 /nfs/dbraw/zinc/39/42/67/228394267.db2.gz JESOZJBJQTTXDF-CHWSQXEVSA-N 1 0 300.406 3.040 10 10 DGCERO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1O ZINC000185879774 228399339 /nfs/dbraw/zinc/39/93/39/228399339.db2.gz XADZEZJFXBHSPZ-BXUZGUMPSA-N 1 0 314.360 3.308 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c(O)c1 ZINC000185879307 228399355 /nfs/dbraw/zinc/39/93/55/228399355.db2.gz HDKPTELCBCGYIV-CZUORRHYSA-N 1 0 310.397 3.477 10 10 DGCERO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(N(C)C)cc1 ZINC000151494124 432250267 /nfs/dbraw/zinc/25/02/67/432250267.db2.gz FQZWOPXHBNZVQI-OAHLLOKOSA-N 1 0 321.428 3.184 10 10 DGCERO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc2ccccc2c1O ZINC000185332743 432490407 /nfs/dbraw/zinc/49/04/07/432490407.db2.gz LMSKRHVWWUFCGM-ZDUSSCGKSA-N 1 0 314.385 3.038 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)C12CCOCC2 ZINC000186303215 432580188 /nfs/dbraw/zinc/58/01/88/432580188.db2.gz KUIMHLMBYZODSV-RRQGHBQHSA-N 1 0 305.418 3.017 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000180136145 534200991 /nfs/dbraw/zinc/20/09/91/534200991.db2.gz DXYRPTZRCDEUOH-MRXNPFEDSA-N 1 0 315.417 3.088 10 10 DGCERO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000128536645 520894668 /nfs/dbraw/zinc/89/46/68/520894668.db2.gz DGZOXCZVGZWZNG-KRWDZBQOSA-N 1 0 312.461 3.256 10 10 DGCERO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725848619 575929869 /nfs/dbraw/zinc/92/98/69/575929869.db2.gz YZCVVWVOKPVATQ-HIFRSBDPSA-N 1 0 303.406 3.331 10 10 DGCERO Cc1cc(CC[NH2+]Cc2cncn2C)c(C)n1-c1ccccc1 ZINC000727465682 576127396 /nfs/dbraw/zinc/12/73/96/576127396.db2.gz OWCVMROZOCTZFQ-UHFFFAOYSA-N 1 0 308.429 3.160 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN2CC(C)C)c1 ZINC000186162460 660326472 /nfs/dbraw/zinc/32/64/72/660326472.db2.gz VKWXPMNWZBHZGI-HUUCEWRRSA-N 1 0 306.450 3.172 10 10 DGCERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186228137 660350428 /nfs/dbraw/zinc/35/04/28/660350428.db2.gz YTXLJPTUIKVKGV-NSHDSACASA-N 1 0 305.397 3.165 10 10 DGCERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186228156 660350435 /nfs/dbraw/zinc/35/04/35/660350435.db2.gz YTXLJPTUIKVKGV-LLVKDONJSA-N 1 0 305.397 3.165 10 10 DGCERO Oc1cc(Br)ccc1C[NH2+]CCCc1ccccn1 ZINC000701014846 660650052 /nfs/dbraw/zinc/65/00/52/660650052.db2.gz LFDUKNWOIQRNOD-UHFFFAOYSA-N 1 0 321.218 3.272 10 10 DGCERO CO[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC[C@H]1C ZINC000190193662 656159499 /nfs/dbraw/zinc/15/94/99/656159499.db2.gz WCZJDPAZHYLSRG-WBMJQRKESA-N 1 0 307.434 3.252 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2Br)c(O)c1 ZINC000720680893 658080525 /nfs/dbraw/zinc/08/05/25/658080525.db2.gz KLYFPNYZKXCYRP-SNVBAGLBSA-N 1 0 324.222 3.047 10 10 DGCERO CC[N@H+](CCc1nccs1)Cc1cc(C)cc(OC)c1O ZINC000164608498 658938981 /nfs/dbraw/zinc/93/89/81/658938981.db2.gz UOYHQLASNNNPOY-UHFFFAOYSA-N 1 0 306.431 3.230 10 10 DGCERO CCC1(CC)C[N@H+](Cc2cc(C)c(C)cc2O)CC[S@]1=O ZINC000187556810 661887567 /nfs/dbraw/zinc/88/75/67/661887567.db2.gz YJIZLQNUJMOTHS-OAQYLSRUSA-N 1 0 309.475 3.132 10 10 DGCERO CCC1(CC)C[N@H+](Cc2cc(C)c(C)cc2O)CC[S@@]1=O ZINC000187556789 661887592 /nfs/dbraw/zinc/88/75/92/661887592.db2.gz YJIZLQNUJMOTHS-NRFANRHFSA-N 1 0 309.475 3.132 10 10 DGCERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(C)ccc1O ZINC000246195844 662250513 /nfs/dbraw/zinc/25/05/13/662250513.db2.gz LOQUJGJCUYAUNT-KBMXLJTQSA-N 1 0 303.402 3.007 10 10 DGCERO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC)cc1 ZINC000092099532 662327595 /nfs/dbraw/zinc/32/75/95/662327595.db2.gz JMKJVOVQTFLEOX-GOSISDBHSA-N 1 0 317.477 3.023 10 10 DGCERO c1cc(N2CCOCC2)ccc1C[NH+](CC1CC1)CC1CC1 ZINC000093480096 662356057 /nfs/dbraw/zinc/35/60/57/662356057.db2.gz HPLWSKJKKIYNFC-UHFFFAOYSA-N 1 0 300.446 3.145 10 10 DGCERO Cc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000381346082 685156699 /nfs/dbraw/zinc/15/66/99/685156699.db2.gz GQAAMONNQUKTLI-CHWSQXEVSA-N 1 0 308.422 3.092 10 10 DGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000381846247 685160205 /nfs/dbraw/zinc/16/02/05/685160205.db2.gz YXRYYOGVQYTYME-KGLIPLIRSA-N 1 0 322.449 3.395 10 10 DGCERO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708180236 1082640838 /nfs/dbraw/zinc/64/08/38/1082640838.db2.gz XEDIPTXZLBVICQ-PWSUYJOCSA-N 1 0 320.614 3.075 10 10 DGCERO CCn1cc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cn1 ZINC000092809100 185342996 /nfs/dbraw/zinc/34/29/96/185342996.db2.gz JGVLCWVDWVTXPN-UHFFFAOYSA-N 1 0 312.461 3.349 10 10 DGCERO CN1CCc2cc(C[NH2+][C@H]3CCOC4(CCCC4)C3)ccc21 ZINC000125064844 529812551 /nfs/dbraw/zinc/81/25/51/529812551.db2.gz BREBYLDEFLCOJU-KRWDZBQOSA-N 1 0 300.446 3.260 10 10 DGCERO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCc1ccc(N)cc1)CC2 ZINC000004211963 181085409 /nfs/dbraw/zinc/08/54/09/181085409.db2.gz GNCHTURXQMPGMG-HNNXBMFYSA-N 1 0 310.441 3.309 10 10 in-man DGCERO Cc1ccc2oc(N3CC[NH+](Cc4ccccc4O)CC3)nc2c1 ZINC000179571525 432063012 /nfs/dbraw/zinc/06/30/12/432063012.db2.gz JGGISXUWFZQGOF-UHFFFAOYSA-N 1 0 323.396 3.164 10 10 DGCERO COc1ccc2c(c1O)[C@H](Cc1ccc(O)cc1)[N+](C)(C)CC2 ZINC000006068297 181310425 /nfs/dbraw/zinc/31/04/25/181310425.db2.gz POJZOQWVMMYVBU-INIZCTEOSA-O 1 0 314.405 3.023 10 10 endogenous,in-man DGCERO COCCN(c1ccc([C@H](C)[NH3+])cc1Br)C1CC1 ZINC000061697143 184183908 /nfs/dbraw/zinc/18/39/08/184183908.db2.gz KYRONJOLCFQDHY-JTQLQIEISA-N 1 0 313.239 3.084 10 10 DGCERO COc1ccc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000396180906 257102991 /nfs/dbraw/zinc/10/29/91/257102991.db2.gz GOCDRVGIPIWKBO-ROUUACIJSA-N 1 0 308.425 3.263 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c(O)c1 ZINC000185585977 228393744 /nfs/dbraw/zinc/39/37/44/228393744.db2.gz QNYXEPHTUWMHQO-OLZOCXBDSA-N 1 0 300.406 3.040 10 10 DGCERO Cc1ccc(O)c(C[NH2+]CCc2nc3c(cccc3F)n2C)c1 ZINC000113358826 431345358 /nfs/dbraw/zinc/34/53/58/431345358.db2.gz SQZMKTXLGFCFJU-UHFFFAOYSA-N 1 0 313.376 3.059 10 10 DGCERO COc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1O ZINC000092788820 431911618 /nfs/dbraw/zinc/91/16/18/431911618.db2.gz UQIWHXFNXCPOCN-CYBMUJFWSA-N 1 0 304.415 3.237 10 10 DGCERO CCOc1cccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1O ZINC000092757912 431912120 /nfs/dbraw/zinc/91/21/20/431912120.db2.gz MHXMBHALPNZUCV-QGZVFWFLSA-N 1 0 312.413 3.477 10 10 DGCERO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c(O)c1 ZINC000192709254 432404215 /nfs/dbraw/zinc/40/42/15/432404215.db2.gz IGVFTDBZADKMCP-HNNXBMFYSA-N 1 0 311.429 3.415 10 10 DGCERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185096610 432465965 /nfs/dbraw/zinc/46/59/65/432465965.db2.gz LMPUZCKJBFFBRX-GUYCJALGSA-N 1 0 301.386 3.093 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C12CCOCC2 ZINC000186311150 432581334 /nfs/dbraw/zinc/58/13/34/432581334.db2.gz ZFEVIATYQLSQJC-AFAVFJNCSA-N 1 0 323.408 3.156 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 ZINC000245839606 432865658 /nfs/dbraw/zinc/86/56/58/432865658.db2.gz JJBCUCGEYURNRL-KUHUBIRLSA-N 1 0 313.397 3.363 10 10 DGCERO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000245613244 432850047 /nfs/dbraw/zinc/85/00/47/432850047.db2.gz OQWSDWPCDTWDQZ-UGSOOPFHSA-N 1 0 301.361 3.493 10 10 DGCERO c1cc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cc2c1OCC2 ZINC000527751122 435014259 /nfs/dbraw/zinc/01/42/59/435014259.db2.gz HJVAWGOFLYIULC-SFHVURJKSA-N 1 0 300.446 3.118 10 10 DGCERO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000193022199 519457710 /nfs/dbraw/zinc/45/77/10/519457710.db2.gz XGWJNYYZOWKAMZ-OAHLLOKOSA-N 1 0 317.477 3.050 10 10 DGCERO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3ccccc3O)C2=O)c(C)c1 ZINC000188942621 524276863 /nfs/dbraw/zinc/27/68/63/524276863.db2.gz CWDPYCWIYVIJNF-QGZVFWFLSA-N 1 0 324.424 3.213 10 10 DGCERO COc1ccc2ccc(O)c(C[N@H+](C)C[C@@H]3CCCO3)c2c1 ZINC000151740867 620472218 /nfs/dbraw/zinc/47/22/18/620472218.db2.gz YHDBGMSNMUTOMI-HNNXBMFYSA-N 1 0 301.386 3.165 10 10 DGCERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)CCC4)C2)c1 ZINC000152935182 620529011 /nfs/dbraw/zinc/52/90/11/620529011.db2.gz NQUZDVXURQLCPI-GOSISDBHSA-N 1 0 311.429 3.223 10 10 DGCERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000120553266 621915692 /nfs/dbraw/zinc/91/56/92/621915692.db2.gz LENAHEOKSJCDNK-UONOGXRCSA-N 1 0 314.477 3.385 10 10 DGCERO Cc1ccc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c(O)c1 ZINC000185319486 660215438 /nfs/dbraw/zinc/21/54/38/660215438.db2.gz PFYCPRGBVASFHP-ZDUSSCGKSA-N 1 0 303.406 3.490 10 10 DGCERO COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCSC2)c1O ZINC000704800773 660820579 /nfs/dbraw/zinc/82/05/79/660820579.db2.gz YKUJDZQZNXOCKG-JTQLQIEISA-N 1 0 301.839 3.287 10 10 DGCERO CSC1CC([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000708268415 660919283 /nfs/dbraw/zinc/91/92/83/660919283.db2.gz BDWANHRDQHSYGB-UHFFFAOYSA-N 1 0 302.237 3.138 10 10 DGCERO Cc1ccc(O)c(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000715082341 661208013 /nfs/dbraw/zinc/20/80/13/661208013.db2.gz WYGYHZTYRBQYSZ-UHFFFAOYSA-N 1 0 320.433 3.094 10 10 DGCERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(C)cc(C)c3O)C2)no1 ZINC000164285796 657301102 /nfs/dbraw/zinc/30/11/02/657301102.db2.gz BMMBZOWERZCKGB-HNNXBMFYSA-N 1 0 315.417 3.155 10 10 DGCERO COc1cc(C)cc(C[N@H+](C)CCc2ncc(C)s2)c1O ZINC000165185974 658969821 /nfs/dbraw/zinc/96/98/21/658969821.db2.gz BGBXDKNDKTVKEV-UHFFFAOYSA-N 1 0 306.431 3.149 10 10 DGCERO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180218056 659955905 /nfs/dbraw/zinc/95/59/05/659955905.db2.gz QRXSHMWOIAZCMZ-CQSZACIVSA-N 1 0 324.396 3.020 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)c1 ZINC000192926362 662116242 /nfs/dbraw/zinc/11/62/42/662116242.db2.gz XBKBTUVMBKVSJN-KDOFPFPSSA-N 1 0 314.429 3.354 10 10 DGCERO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195324459 662185158 /nfs/dbraw/zinc/18/51/58/662185158.db2.gz YBFMQYFEHPZEKX-IBGZPJMESA-N 1 0 323.440 3.014 10 10 DGCERO c1ccc2c(c1)C[C@H](C[NH2+]Cc1ccc(N3CCCC3)cc1)O2 ZINC000378929403 1197702215 /nfs/dbraw/zinc/70/22/15/1197702215.db2.gz WPEQYJSTDVDOMR-LJQANCHMSA-N 1 0 308.425 3.380 10 10 DGCERO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c2c(c1)OCCCO2 ZINC000236581420 1202612799 /nfs/dbraw/zinc/61/27/99/1202612799.db2.gz IQHKTAQPVPFKLR-UHFFFAOYSA-N 1 0 311.381 3.073 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(N(C)C)cc1 ZINC000246569841 432145587 /nfs/dbraw/zinc/14/55/87/432145587.db2.gz XVWIDHYURJXJHZ-LESCRADOSA-N 1 0 320.502 3.458 10 10 DGCERO c1cn2c(n1)CC[C@H](C[NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000275394122 130315099 /nfs/dbraw/zinc/31/50/99/130315099.db2.gz CCVFKPNLXGSYJZ-GOSISDBHSA-N 1 0 324.472 3.226 10 10 DGCERO c1ccc([C@H]2OCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000328587767 285494542 /nfs/dbraw/zinc/49/45/42/285494542.db2.gz HMJLSXIPFOFEQR-UYAOXDASSA-N 1 0 309.409 3.489 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C12CCOCC2 ZINC000186305022 286288319 /nfs/dbraw/zinc/28/83/19/286288319.db2.gz XBFRXRIDNGRXCA-BMGDILEWSA-N 1 0 319.445 3.325 10 10 DGCERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cc(F)ccc1O ZINC000176981379 228323077 /nfs/dbraw/zinc/32/30/77/228323077.db2.gz NJTVFJJHXQXRBT-CXAGYDPISA-N 1 0 302.393 3.485 10 10 DGCERO Oc1cc2c(cc1O)[C@H](COc1ccc(Cl)cc1)[NH2+]CC2 ZINC000031541355 431758781 /nfs/dbraw/zinc/75/87/81/431758781.db2.gz GVALVWDQPXGPCE-AWEZNQCLSA-N 1 0 305.761 3.017 10 10 in-man DGCERO COc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000122791573 431844285 /nfs/dbraw/zinc/84/42/85/431844285.db2.gz CTBRENDRPWOOOK-HNNXBMFYSA-N 1 0 315.417 3.088 10 10 DGCERO Cc1noc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000089518206 431868892 /nfs/dbraw/zinc/86/88/92/431868892.db2.gz KHYRAMYDKBKKGL-CQSZACIVSA-N 1 0 314.433 3.262 10 10 DGCERO CC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1O ZINC000186325476 432582948 /nfs/dbraw/zinc/58/29/48/432582948.db2.gz WKMKCIISZPDSAJ-HIFRSBDPSA-N 1 0 314.433 3.163 10 10 DGCERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000529671034 335651241 /nfs/dbraw/zinc/65/12/41/335651241.db2.gz XGPNYOWGKGHVCW-RZGXBDKHSA-N 1 0 314.223 3.056 10 10 DGCERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000527805148 337765069 /nfs/dbraw/zinc/76/50/69/337765069.db2.gz UIDKIXOQLDXLQB-QOBXEIRBSA-N 1 0 314.223 3.056 10 10 DGCERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cc(F)ccc1O ZINC000176981368 533994173 /nfs/dbraw/zinc/99/41/73/533994173.db2.gz NJTVFJJHXQXRBT-SUMWQHHRSA-N 1 0 302.393 3.485 10 10 DGCERO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249777908 534472375 /nfs/dbraw/zinc/47/23/75/534472375.db2.gz CNEVGKZBPZPWND-IPMKNSEASA-N 1 0 300.446 3.334 10 10 DGCERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc2ccccc2c1O ZINC000190670576 525418512 /nfs/dbraw/zinc/41/85/12/525418512.db2.gz SUUXWZFRQZEPTI-CYBMUJFWSA-N 1 0 301.386 3.349 10 10 DGCERO CN(C)c1ccc(/C=C\C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000033848668 620769787 /nfs/dbraw/zinc/76/97/87/620769787.db2.gz CVLYLTKTMXXSRX-TWGQIWQCSA-N 1 0 310.441 3.260 10 10 DGCERO CC(C)[N@H+](CCc1nccs1)Cc1cc2c(cc1O)OCO2 ZINC000151546973 620458411 /nfs/dbraw/zinc/45/84/11/620458411.db2.gz KNSFYAOQLFPBFL-UHFFFAOYSA-N 1 0 320.414 3.031 10 10 DGCERO C[C@H]1CCC[C@H](C[NH2+]Cc2c(O)cccc2Br)O1 ZINC000706805343 660873446 /nfs/dbraw/zinc/87/34/46/660873446.db2.gz ZEJPEBPYBJNBKJ-WDEREUQCSA-N 1 0 314.223 3.202 10 10 DGCERO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)c2c1 ZINC000249968637 657441953 /nfs/dbraw/zinc/44/19/53/657441953.db2.gz XICPVVLCPDKUTQ-ORAYPTAESA-N 1 0 315.413 3.411 10 10 DGCERO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722405556 658950916 /nfs/dbraw/zinc/95/09/16/658950916.db2.gz XIAOXEJJXFKUPU-UFBFGSQYSA-N 1 0 309.715 3.245 10 10 DGCERO CN(C)[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000170842935 659925482 /nfs/dbraw/zinc/92/54/82/659925482.db2.gz FSONDRLSPITNRV-ZDUSSCGKSA-N 1 0 314.429 3.153 10 10 DGCERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000246993977 662295809 /nfs/dbraw/zinc/29/58/09/662295809.db2.gz IBHIDJAIQMAYEV-CJNGLKHVSA-N 1 0 318.461 3.064 10 10 DGCERO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000720164876 662305856 /nfs/dbraw/zinc/30/58/56/662305856.db2.gz HMJOPWDTTLIDTO-VIFPVBQESA-N 1 0 302.212 3.058 10 10 DGCERO Cc1cc(O)c(C[N@@H+]2CCCC[C@H](N3CCCC3)C2)cc1C ZINC000092785629 662335640 /nfs/dbraw/zinc/33/56/40/662335640.db2.gz UVQBPHKTASKWFD-SFHVURJKSA-N 1 0 302.462 3.459 10 10 DGCERO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381816791 685159920 /nfs/dbraw/zinc/15/99/20/685159920.db2.gz CTXOJIRFOLELQC-KGLIPLIRSA-N 1 0 321.465 3.144 10 10 DGCERO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](C)NC(=O)OC(C)(C)C ZINC000381844987 685160041 /nfs/dbraw/zinc/16/00/41/685160041.db2.gz YVSNKPDZIYIQGH-OLZOCXBDSA-N 1 0 320.433 3.013 10 10 DGCERO c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CO2 ZINC000328137761 1176638333 /nfs/dbraw/zinc/63/83/33/1176638333.db2.gz PSODMHCUKNMAHC-GOSISDBHSA-N 1 0 308.425 3.380 10 10 DGCERO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)N(C)Cc1ccccc1 ZINC000237413827 1202673356 /nfs/dbraw/zinc/67/33/56/1202673356.db2.gz SUPHIZHWNNLXMY-INIZCTEOSA-N 1 0 310.441 3.232 10 10 DGCERO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000716019933 1091315236 /nfs/dbraw/zinc/31/52/36/1091315236.db2.gz FAWYEEOHLKRMMN-AWEZNQCLSA-N 1 0 316.445 3.366 10 10 DGCERO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CN(C(=O)OC(C)(C)C)C1 ZINC000401671439 1093963174 /nfs/dbraw/zinc/96/31/74/1093963174.db2.gz LOQKQCSSQVFEDY-UKRRQHHQSA-N 1 0 320.433 3.127 10 10 DGCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403174550 1094102442 /nfs/dbraw/zinc/10/24/42/1094102442.db2.gz DRAWCMDCJMZFIT-KURKYZTESA-N 1 0 300.446 3.049 10 10 DGCERO CN(C)c1ccc(C[NH+]2CCC(Nc3nccs3)CC2)cc1 ZINC000189955205 432108278 /nfs/dbraw/zinc/10/82/78/432108278.db2.gz MITVXFMINHCZME-UHFFFAOYSA-N 1 0 316.474 3.286 10 10 DGCERO Cc1ccc(O)c(C[NH+]2CCC(Nc3nccs3)CC2)c1 ZINC000189961159 432108760 /nfs/dbraw/zinc/10/87/60/432108760.db2.gz RCIYHGJWOIORAZ-UHFFFAOYSA-N 1 0 303.431 3.234 10 10 DGCERO CN(C)c1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000190291499 432139896 /nfs/dbraw/zinc/13/98/96/432139896.db2.gz VWQFOJBOABFWHY-WMZOPIPTSA-N 1 0 316.470 3.022 10 10 DGCERO CC[NH+](CC)CCN(Cc1ccccn1)c1ccc(OC)cc1 ZINC000002012456 400081376 /nfs/dbraw/zinc/08/13/76/400081376.db2.gz CPBVYRBCZWSCQC-UHFFFAOYSA-N 1 0 313.445 3.439 10 10 DGCERO CN1CCc2cc(C[NH2+][C@H]3CCCO[C@@H]3c3ccncc3)ccc21 ZINC000328639852 400183594 /nfs/dbraw/zinc/18/35/94/400183594.db2.gz PRXARKTYXZZJMW-AZUAARDMSA-N 1 0 323.440 3.084 10 10 DGCERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cc(F)ccc1O ZINC000176981338 228323088 /nfs/dbraw/zinc/32/30/88/228323088.db2.gz NJTVFJJHXQXRBT-GUYCJALGSA-N 1 0 302.393 3.485 10 10 DGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000180053184 228354032 /nfs/dbraw/zinc/35/40/32/228354032.db2.gz MKFNQUPOWQGQNG-OAHLLOKOSA-N 1 0 305.809 3.425 10 10 DGCERO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(O)c1 ZINC000121256210 431762289 /nfs/dbraw/zinc/76/22/89/431762289.db2.gz WBEWWEBLCBSPSW-CQSZACIVSA-N 1 0 315.417 3.284 10 10 DGCERO CCCOc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c(O)c1 ZINC000092810926 431911547 /nfs/dbraw/zinc/91/15/47/431911547.db2.gz VUCMAWPTLYMBBV-UHFFFAOYSA-N 1 0 315.417 3.284 10 10 DGCERO Cn1nccc1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000092810386 431912104 /nfs/dbraw/zinc/91/21/04/431912104.db2.gz ZUUGTDWETBOMNE-UHFFFAOYSA-N 1 0 305.809 3.159 10 10 DGCERO COc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1O ZINC000092788819 431912159 /nfs/dbraw/zinc/91/21/59/431912159.db2.gz UQIWHXFNXCPOCN-ZDUSSCGKSA-N 1 0 304.415 3.237 10 10 DGCERO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cc(Cl)ccc1O ZINC000248526650 432298391 /nfs/dbraw/zinc/29/83/91/432298391.db2.gz VDCSXADDZVQGKQ-HKJPBSJPSA-N 1 0 303.789 3.355 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000248529699 432298757 /nfs/dbraw/zinc/29/87/57/432298757.db2.gz WZEHTVZGWQUYOY-MZTNWIODSA-N 1 0 317.429 3.399 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C12CCOCC2 ZINC000248647952 432309619 /nfs/dbraw/zinc/30/96/19/432309619.db2.gz UHNUVZWJZQHHBH-ZTFGCOKTSA-N 1 0 319.445 3.325 10 10 DGCERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc2ccccc2c1O ZINC000184888794 432442493 /nfs/dbraw/zinc/44/24/93/432442493.db2.gz DDGIVBFIWODKHJ-AWEZNQCLSA-N 1 0 312.413 3.209 10 10 DGCERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185096521 432465079 /nfs/dbraw/zinc/46/50/79/432465079.db2.gz BQROGVWEIKDTRE-BZNIZROVSA-N 1 0 321.804 3.438 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)c(O)c1 ZINC000186031825 432554948 /nfs/dbraw/zinc/55/49/48/432554948.db2.gz ZDFIHVCCAMEGGL-CYBMUJFWSA-N 1 0 318.442 3.233 10 10 DGCERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185682400 432524010 /nfs/dbraw/zinc/52/40/10/432524010.db2.gz KOHVBNFGTMFSKR-JSGCOSHPSA-N 1 0 300.406 3.040 10 10 DGCERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185682381 432524670 /nfs/dbraw/zinc/52/46/70/432524670.db2.gz SRFNPYJEFYZOGE-ZWNOBZJWSA-N 1 0 320.824 3.385 10 10 DGCERO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)N(C)C(=O)OC(C)(C)C ZINC000283187800 433683892 /nfs/dbraw/zinc/68/38/92/433683892.db2.gz KICITJKRFQYRCW-OLZOCXBDSA-N 1 0 308.422 3.298 10 10 DGCERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000529671033 435039268 /nfs/dbraw/zinc/03/92/68/435039268.db2.gz XGPNYOWGKGHVCW-QOBXEIRBSA-N 1 0 314.223 3.056 10 10 DGCERO CC[C@H](c1ccc(O)cc1)[C@@H](C(=O)C[N+]#N)c1ccc(O)cc1 ZINC000584626682 337376054 /nfs/dbraw/zinc/37/60/54/337376054.db2.gz TZNSSOKMCLUZLI-AEFFLSMTSA-N 1 0 310.353 3.245 10 10 DGCERO C[C@H](CC[NH2+][C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000183595974 533944624 /nfs/dbraw/zinc/94/46/24/533944624.db2.gz GDMVJPPDWYPCAY-CHWSQXEVSA-N 1 0 308.422 3.346 10 10 DGCERO CC[N@H+](CCc1nccs1)Cc1cc(F)cc(C(C)=O)c1O ZINC000159419816 521179692 /nfs/dbraw/zinc/17/96/92/521179692.db2.gz GAMCCZLPEPVPNN-UHFFFAOYSA-N 1 0 322.405 3.255 10 10 DGCERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000130486623 524741440 /nfs/dbraw/zinc/74/14/40/524741440.db2.gz WUYWUEFUSDNYGN-KSSFIOAISA-N 1 0 314.429 3.145 10 10 DGCERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000130486933 524800550 /nfs/dbraw/zinc/80/05/50/524800550.db2.gz WUYWUEFUSDNYGN-KBXCAEBGSA-N 1 0 314.429 3.145 10 10 DGCERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000230167500 525348982 /nfs/dbraw/zinc/34/89/82/525348982.db2.gz RWSIQEQZUHJKAG-AWEZNQCLSA-N 1 0 320.433 3.047 10 10 DGCERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1cc2c(cc1O)CCCC2 ZINC000190652144 525418586 /nfs/dbraw/zinc/41/85/86/525418586.db2.gz HKMBEESPJXCPFZ-CYBMUJFWSA-N 1 0 305.418 3.075 10 10 DGCERO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccccc1O ZINC000183552458 528331013 /nfs/dbraw/zinc/33/10/13/528331013.db2.gz SEOUUKAFAYWZHW-OCCSQVGLSA-N 1 0 300.406 3.293 10 10 DGCERO Cc1ccc(C)n1-c1ccc(C(=O)NCCCC[NH+](C)C)cc1 ZINC000733161602 574600218 /nfs/dbraw/zinc/60/02/18/574600218.db2.gz NMEBRPWIEZERHG-UHFFFAOYSA-N 1 0 313.445 3.166 10 10 DGCERO Cc1cnn([C@H]2CCC[N@H+](Cc3cc4c(cc3O)CCC4)C2)c1 ZINC000152935298 620528835 /nfs/dbraw/zinc/52/88/35/620528835.db2.gz NQUZDVXURQLCPI-SFHVURJKSA-N 1 0 311.429 3.223 10 10 DGCERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000153247658 620543779 /nfs/dbraw/zinc/54/37/79/620543779.db2.gz IBHIDJAIQMAYEV-XJKSGUPXSA-N 1 0 318.461 3.064 10 10 DGCERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185559040 660229603 /nfs/dbraw/zinc/22/96/03/660229603.db2.gz HXIITBYNPZESHZ-CHWSQXEVSA-N 1 0 301.434 3.333 10 10 DGCERO CCOc1ccccc1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000054550887 660407513 /nfs/dbraw/zinc/40/75/13/660407513.db2.gz AKYMXDHKJFZFNY-UHFFFAOYSA-N 1 0 315.369 3.152 10 10 DGCERO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000700745723 660634362 /nfs/dbraw/zinc/63/43/62/660634362.db2.gz VMXRGIPUTXLZMF-HIFRSBDPSA-N 1 0 320.433 3.188 10 10 DGCERO Oc1ccc(Br)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701938896 660693125 /nfs/dbraw/zinc/69/31/25/660693125.db2.gz ZOWWRXOLPUOZML-SECBINFHSA-N 1 0 306.150 3.290 10 10 DGCERO C[C@H](C[NH2+]Cc1c(O)cccc1Br)c1ccccn1 ZINC000706808405 660873482 /nfs/dbraw/zinc/87/34/82/660873482.db2.gz LVZKITONXLJCIO-LLVKDONJSA-N 1 0 321.218 3.443 10 10 DGCERO C[NH2+][C@@H](C)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000261712464 655665351 /nfs/dbraw/zinc/66/53/51/655665351.db2.gz KCUJIVSISHZTPO-NSHDSACASA-N 1 0 319.836 3.085 10 10 DGCERO C[C@H]([NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000715081292 661208157 /nfs/dbraw/zinc/20/81/57/661208157.db2.gz OKWIASASWIMLBA-HSBZDZAISA-N 1 0 320.433 3.346 10 10 DGCERO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000178689315 656998046 /nfs/dbraw/zinc/99/80/46/656998046.db2.gz OOBWCBXFEQQWBB-LLVKDONJSA-N 1 0 319.836 3.215 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)nc2Br)c1 ZINC000720682509 658081807 /nfs/dbraw/zinc/08/18/07/658081807.db2.gz YQFQXXBWPQKHQJ-JTQLQIEISA-N 1 0 324.222 3.047 10 10 DGCERO Cc1cc(O)c(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1C(C)C ZINC000120060116 658727560 /nfs/dbraw/zinc/72/75/60/658727560.db2.gz IMBVQYRKNAACTI-UHFFFAOYSA-N 1 0 318.461 3.124 10 10 DGCERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000245888794 659956879 /nfs/dbraw/zinc/95/68/79/659956879.db2.gz JETXGHBMIWWGAU-MFKMUULPSA-N 1 0 315.244 3.368 10 10 DGCERO Cc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000381346087 685156807 /nfs/dbraw/zinc/15/68/07/685156807.db2.gz GQAAMONNQUKTLI-OLZOCXBDSA-N 1 0 308.422 3.092 10 10 DGCERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000389836459 1197709915 /nfs/dbraw/zinc/70/99/15/1197709915.db2.gz KLYJJEKEBPWQJY-KDOFPFPSSA-N 1 0 314.404 3.141 10 10 DGCERO c1[nH]nc2c1C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000124617982 1200356740 /nfs/dbraw/zinc/35/67/40/1200356740.db2.gz OGZBAXCELHJSKK-KRWDZBQOSA-N 1 0 310.445 3.047 10 10 DGCERO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCCOC1 ZINC000402708132 1082167946 /nfs/dbraw/zinc/16/79/46/1082167946.db2.gz BMWIUBSNFIZVCR-CYBMUJFWSA-N 1 0 314.223 3.156 10 10 DGCERO c1cc(N2CCOCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403687628 1094166607 /nfs/dbraw/zinc/16/66/07/1094166607.db2.gz KPTXMTDNOLIXNP-ZNXRZULTSA-N 1 0 318.486 3.039 10 10 DGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)cc1C ZINC000701925667 1109003252 /nfs/dbraw/zinc/00/32/52/1109003252.db2.gz WLPQNEJQCBTGHH-CQSZACIVSA-N 1 0 322.449 3.349 10 10 DGCERO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000043288575 183351476 /nfs/dbraw/zinc/35/14/76/183351476.db2.gz ICFYTBLWUCWQDZ-CYBMUJFWSA-N 1 0 313.397 3.490 10 10 DGCERO Cc1ccc(O)c(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000113335123 292164818 /nfs/dbraw/zinc/16/48/18/292164818.db2.gz NHSOSKRNPDSLJA-UHFFFAOYSA-N 1 0 308.422 3.094 10 10 DGCERO Oc1ccc(Cl)cc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000122078531 226973171 /nfs/dbraw/zinc/97/31/71/226973171.db2.gz SBERVXITGADNAY-UHFFFAOYSA-N 1 0 305.809 3.154 10 10 DGCERO [O-]c1c(Cl)cccc1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000180285146 228355791 /nfs/dbraw/zinc/35/57/91/228355791.db2.gz DBQPWYFUMYHVBI-MRXNPFEDSA-N 1 0 319.788 3.325 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c(O)c1 ZINC000185340761 228391582 /nfs/dbraw/zinc/39/15/82/228391582.db2.gz WIIPKIPFCXHFSI-CYBMUJFWSA-N 1 0 308.422 3.266 10 10 DGCERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1cc(Cl)ccc1O ZINC000248521371 432297564 /nfs/dbraw/zinc/29/75/64/432297564.db2.gz RNLSVBIIMRVJFK-GLZQIGESSA-N 1 0 303.789 3.355 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2O)C12CCOCC2 ZINC000248544582 432300014 /nfs/dbraw/zinc/30/00/14/432300014.db2.gz DPXQHJOQHMZNNR-KBAYOESNSA-N 1 0 319.445 3.407 10 10 DGCERO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152177736 432311109 /nfs/dbraw/zinc/31/11/09/432311109.db2.gz XOVFQALJZQMSBG-CQSZACIVSA-N 1 0 316.424 3.400 10 10 DGCERO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@@H]1CCCO1 ZINC000185000329 432454283 /nfs/dbraw/zinc/45/42/83/432454283.db2.gz PSZNNPRFKWKULJ-RBZYPMLTSA-N 1 0 314.223 3.373 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000186031523 432554122 /nfs/dbraw/zinc/55/41/22/432554122.db2.gz SUVLLPHYOKVDAK-ZDUSSCGKSA-N 1 0 318.442 3.233 10 10 DGCERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185683137 432523706 /nfs/dbraw/zinc/52/37/06/432523706.db2.gz JJXUDPUNCLIKDT-TZMCWYRMSA-N 1 0 300.406 3.040 10 10 DGCERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1O ZINC000277922977 432878804 /nfs/dbraw/zinc/87/88/04/432878804.db2.gz QCHNIMZGXFETEJ-HIFRSBDPSA-N 1 0 320.433 3.127 10 10 DGCERO CCCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(O)c1 ZINC000245707356 432858296 /nfs/dbraw/zinc/85/82/96/432858296.db2.gz FGWCLHMTEHWYBV-YJBOKZPZSA-N 1 0 305.418 3.182 10 10 DGCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(N(C)C)cc1 ZINC000248710097 290033335 /nfs/dbraw/zinc/03/33/35/290033335.db2.gz IXLYGSTUUNFSQQ-OKDNKWQNSA-N 1 0 300.446 3.361 10 10 DGCERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1O ZINC000183556327 534004901 /nfs/dbraw/zinc/00/49/01/534004901.db2.gz QWGZGUNXKAUYGF-STQMWFEESA-N 1 0 317.820 3.370 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccccc1O ZINC000179884695 525554573 /nfs/dbraw/zinc/55/45/73/525554573.db2.gz LWFACQQGHGSHBN-WMLDXEAASA-N 1 0 310.397 3.238 10 10 DGCERO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000182462513 527438600 /nfs/dbraw/zinc/43/86/00/527438600.db2.gz WOJOKIGCVVVCPE-NSHDSACASA-N 1 0 307.825 3.285 10 10 DGCERO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000154738161 620708816 /nfs/dbraw/zinc/70/88/16/620708816.db2.gz MBTYMELQLIBJQP-HNNXBMFYSA-N 1 0 312.461 3.455 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000185647016 660235316 /nfs/dbraw/zinc/23/53/16/660235316.db2.gz FMDOMILBJWJXHE-NSHDSACASA-N 1 0 323.339 3.409 10 10 DGCERO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000093644963 655740563 /nfs/dbraw/zinc/74/05/63/655740563.db2.gz HMGFFUAQGIHZGW-VQIMIIECSA-N 1 0 303.494 3.447 10 10 DGCERO C[C@H]1[C@@H]([NH2+]Cc2ccccc2O)CCCN1C(=O)OC(C)(C)C ZINC000189520927 656156105 /nfs/dbraw/zinc/15/61/05/656156105.db2.gz VKDSPHKENGNHLX-ZFWWWQNUSA-N 1 0 320.433 3.270 10 10 DGCERO CN(C)[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000170842934 659925522 /nfs/dbraw/zinc/92/55/22/659925522.db2.gz FSONDRLSPITNRV-CYBMUJFWSA-N 1 0 314.429 3.153 10 10 DGCERO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccccc1O ZINC000180392158 659961566 /nfs/dbraw/zinc/96/15/66/659961566.db2.gz YRNTZYOMHOVQMM-UKRRQHHQSA-N 1 0 320.433 3.127 10 10 DGCERO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccccc1O ZINC000180392123 659961723 /nfs/dbraw/zinc/96/17/23/659961723.db2.gz YRNTZYOMHOVQMM-HIFRSBDPSA-N 1 0 320.433 3.127 10 10 DGCERO Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC000180530201 659964208 /nfs/dbraw/zinc/96/42/08/659964208.db2.gz YVWYNIIELOOGCI-OAHLLOKOSA-N 1 0 320.433 3.190 10 10 DGCERO CCCN(Cc1cnc2nc(C)cc(C)n12)c1ccc(C[NH3+])cc1 ZINC000194979089 662176681 /nfs/dbraw/zinc/17/66/81/662176681.db2.gz IQXXCQZWMGXGLG-UHFFFAOYSA-N 1 0 323.444 3.221 10 10 DGCERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000381844991 685159904 /nfs/dbraw/zinc/15/99/04/685159904.db2.gz YVSNKPDZIYIQGH-STQMWFEESA-N 1 0 320.433 3.013 10 10 DGCERO Oc1ccc(F)cc1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389949119 685198302 /nfs/dbraw/zinc/19/83/02/685198302.db2.gz VZKCMBCZFPLMLU-UHFFFAOYSA-N 1 0 311.360 3.066 10 10 DGCERO c1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc2c1OCO2 ZINC000378931929 1197702553 /nfs/dbraw/zinc/70/25/53/1197702553.db2.gz YWCVWTJYRSNACW-UHFFFAOYSA-N 1 0 310.397 3.305 10 10 DGCERO c1ccc(CN2CCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000236592863 1202614109 /nfs/dbraw/zinc/61/41/09/1202614109.db2.gz YOBCSFDQYYVPHN-HXUWFJFHSA-N 1 0 322.452 3.376 10 10 DGCERO Cc1cc(C[NH2+]Cc2cc(Br)ccc2O)sn1 ZINC000404307232 1082652603 /nfs/dbraw/zinc/65/26/03/1082652603.db2.gz CLWVTDMTZLYADQ-UHFFFAOYSA-N 1 0 313.220 3.209 10 10 DGCERO c1ccc2c(c1)OC[C@@H](C[NH2+]Cc1ccc(N3CCCC3)cc1)O2 ZINC000393429826 1109012908 /nfs/dbraw/zinc/01/29/08/1109012908.db2.gz SFCMQYRMOKUQQX-GOSISDBHSA-N 1 0 324.424 3.216 10 10 DGCERO COc1cccc([C@@H]2C[N@H+](Cc3cc(C)ccc3O)CCO2)c1 ZINC000093080259 193200942 /nfs/dbraw/zinc/20/09/42/193200942.db2.gz PGHRJELOFSJKNX-IBGZPJMESA-N 1 0 313.397 3.283 10 10 DGCERO COc1ccc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000396180905 257103073 /nfs/dbraw/zinc/10/30/73/257103073.db2.gz GOCDRVGIPIWKBO-QZTJIDSGSA-N 1 0 308.425 3.263 10 10 DGCERO Oc1ccc2ccccc2c1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246595777 285391121 /nfs/dbraw/zinc/39/11/21/285391121.db2.gz CXAGUQVBVCYKAE-SJLPKXTDSA-N 1 0 315.438 3.252 10 10 DGCERO c1cc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc2c1OCC2 ZINC000269349157 432165322 /nfs/dbraw/zinc/16/53/22/432165322.db2.gz REPIJFVYKPEESS-MRXNPFEDSA-N 1 0 319.470 3.156 10 10 DGCERO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000246796142 432166940 /nfs/dbraw/zinc/16/69/40/432166940.db2.gz QQEDAJIBORUFLU-HUUCEWRRSA-N 1 0 317.385 3.082 10 10 DGCERO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1O ZINC000179896093 228353389 /nfs/dbraw/zinc/35/33/89/228353389.db2.gz QXANHHVYILGFLB-KGLIPLIRSA-N 1 0 308.385 3.385 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c1 ZINC000185878003 228399745 /nfs/dbraw/zinc/39/97/45/228399745.db2.gz GIGJCYNMJHDDFG-DZGCQCFKSA-N 1 0 310.397 3.477 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c(O)c1 ZINC000185997166 228401973 /nfs/dbraw/zinc/40/19/73/228401973.db2.gz PHTDOJKVHGIANK-ZIAGYGMSSA-N 1 0 314.433 3.081 10 10 DGCERO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000125758275 431934984 /nfs/dbraw/zinc/93/49/84/431934984.db2.gz MSLLKGSPZPFYON-UHFFFAOYSA-N 1 0 306.793 3.471 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000248484988 432296821 /nfs/dbraw/zinc/29/68/21/432296821.db2.gz DRIIXEFLHLYROU-IAOVAPTHSA-N 1 0 315.417 3.432 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C12CCC2 ZINC000248530092 432298484 /nfs/dbraw/zinc/29/84/84/432298484.db2.gz XEDYHEJUJUTLFK-CSMYWGQOSA-N 1 0 305.418 3.399 10 10 DGCERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)ccc1O ZINC000248521686 432298568 /nfs/dbraw/zinc/29/85/68/432298568.db2.gz ROJDQMRYXHRTCR-RBOXIYTFSA-N 1 0 311.422 3.237 10 10 DGCERO CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1O ZINC000248562562 432302063 /nfs/dbraw/zinc/30/20/63/432302063.db2.gz NNRFVIFKOUESMJ-QRTARXTBSA-N 1 0 307.459 3.488 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000248732958 432315016 /nfs/dbraw/zinc/31/50/16/432315016.db2.gz PBZSVVNTXDSMDX-XYZKALLWSA-N 1 0 303.402 3.009 10 10 DGCERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(Br)cc1O ZINC000185001486 432453730 /nfs/dbraw/zinc/45/37/30/432453730.db2.gz TYKFUNCFYBWHAH-BHDSKKPTSA-N 1 0 314.223 3.373 10 10 DGCERO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c(O)c1 ZINC000184989671 432454433 /nfs/dbraw/zinc/45/44/33/432454433.db2.gz BPXMZOVMDMDXRU-AWEZNQCLSA-N 1 0 308.385 3.132 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996604 432553632 /nfs/dbraw/zinc/55/36/32/432553632.db2.gz XQZKRKAVVIPPFZ-KGLIPLIRSA-N 1 0 314.433 3.081 10 10 DGCERO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c(O)c1 ZINC000186151897 432562916 /nfs/dbraw/zinc/56/29/16/432562916.db2.gz WFPOFDUPWMHSRX-JTQLQIEISA-N 1 0 313.323 3.304 10 10 DGCERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185682330 432524054 /nfs/dbraw/zinc/52/40/54/432524054.db2.gz SRFNPYJEFYZOGE-GWCFXTLKSA-N 1 0 320.824 3.385 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)C12CCOCC2 ZINC000186303254 432579641 /nfs/dbraw/zinc/57/96/41/432579641.db2.gz KUIMHLMBYZODSV-IAOVAPTHSA-N 1 0 305.418 3.017 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C12CCOCC2 ZINC000186312377 432581879 /nfs/dbraw/zinc/58/18/79/432581879.db2.gz UHNUVZWJZQHHBH-JCGIZDLHSA-N 1 0 319.445 3.325 10 10 DGCERO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000230393656 432728364 /nfs/dbraw/zinc/72/83/64/432728364.db2.gz LMHWDEKABVDOFM-AWEZNQCLSA-N 1 0 320.433 3.047 10 10 DGCERO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000230393659 432728582 /nfs/dbraw/zinc/72/85/82/432728582.db2.gz LMHWDEKABVDOFM-CQSZACIVSA-N 1 0 320.433 3.047 10 10 DGCERO COc1cccc(CC[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000185040447 333368967 /nfs/dbraw/zinc/36/89/67/333368967.db2.gz SDFYSYPTFPWLSB-CYBMUJFWSA-N 1 0 301.386 3.303 10 10 DGCERO C[NH2+][C@H](C)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000261843935 337611469 /nfs/dbraw/zinc/61/14/69/337611469.db2.gz WQBCNDDFABWTEQ-LLVKDONJSA-N 1 0 319.836 3.085 10 10 DGCERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185682448 522518538 /nfs/dbraw/zinc/51/85/38/522518538.db2.gz KOHVBNFGTMFSKR-TZMCWYRMSA-N 1 0 300.406 3.040 10 10 DGCERO CC[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccccc1O ZINC000156569435 522829220 /nfs/dbraw/zinc/82/92/20/522829220.db2.gz MFJNIQOMZKKARS-CQSZACIVSA-N 1 0 318.442 3.315 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000179963632 524743074 /nfs/dbraw/zinc/74/30/74/524743074.db2.gz IJASZDHGRKIPGX-LBPRGKRZSA-N 1 0 304.415 3.237 10 10 DGCERO CC[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(N(C)C)cc1 ZINC000154764916 620716418 /nfs/dbraw/zinc/71/64/18/620716418.db2.gz VZWDUGRYDCAMRU-GOSISDBHSA-N 1 0 312.461 3.455 10 10 DGCERO CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000132091176 626699012 /nfs/dbraw/zinc/69/90/12/626699012.db2.gz GELOWOKUIHKCPX-VQTJNVASSA-N 1 0 312.457 3.397 10 10 DGCERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185098175 660201947 /nfs/dbraw/zinc/20/19/47/660201947.db2.gz XTLAVOMWXHCVOX-CXAGYDPISA-N 1 0 301.386 3.093 10 10 DGCERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000185507481 660226303 /nfs/dbraw/zinc/22/63/03/660226303.db2.gz YPYAJTHOPDDWPY-XCRHUMRWSA-N 1 0 303.446 3.473 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2CC(C)C)c1 ZINC000185545938 660229024 /nfs/dbraw/zinc/22/90/24/660229024.db2.gz XVNMKGLVVCCMNX-CYBMUJFWSA-N 1 0 303.406 3.104 10 10 DGCERO CC(C)(C)OCC[NH2+]Cc1c(O)cccc1Br ZINC000706821310 660873892 /nfs/dbraw/zinc/87/38/92/660873892.db2.gz BZQUXATVTSRKBG-UHFFFAOYSA-N 1 0 302.212 3.059 10 10 DGCERO CSC1CC([NH2+]Cc2c(O)cccc2Br)C1 ZINC000708268989 660919349 /nfs/dbraw/zinc/91/93/49/660919349.db2.gz HZFVUWISRYKWSA-UHFFFAOYSA-N 1 0 302.237 3.138 10 10 DGCERO CN(CC[N@H+](C)Cc1ccccc1O)Cc1ccc(F)cc1 ZINC000160540305 655652869 /nfs/dbraw/zinc/65/28/69/655652869.db2.gz ZQAZRQCSYWTNTK-UHFFFAOYSA-N 1 0 302.393 3.095 10 10 DGCERO Cc1cc(Br)cc(C[N@@H+]2CCO[C@H](C)CC2)c1O ZINC000720497662 657805002 /nfs/dbraw/zinc/80/50/02/657805002.db2.gz WCKJZZAUXIYCND-LLVKDONJSA-N 1 0 314.223 3.074 10 10 DGCERO COc1ccccc1CC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164297639 658928235 /nfs/dbraw/zinc/92/82/35/658928235.db2.gz DLMMTQWICMZGTQ-UHFFFAOYSA-N 1 0 315.413 3.392 10 10 DGCERO CCOc1cccc(C[NH2+][C@@H](C)c2ccncc2OC)c1O ZINC000189565063 661982233 /nfs/dbraw/zinc/98/22/33/661982233.db2.gz DPOCCEGMCLRIDV-LBPRGKRZSA-N 1 0 302.374 3.045 10 10 DGCERO Cc1cc(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1C(C)C ZINC000191435182 662066412 /nfs/dbraw/zinc/06/64/12/662066412.db2.gz UHZQXPUGRJIFJW-OAHLLOKOSA-N 1 0 317.351 3.323 10 10 DGCERO CC(=O)c1cc(F)cc(C[N@@H+](C(C)C)C2CCOCC2)c1[O-] ZINC000079443649 662110623 /nfs/dbraw/zinc/11/06/23/662110623.db2.gz DKXDDSZAGJLGIY-UHFFFAOYSA-N 1 0 309.381 3.123 10 10 DGCERO CN(C)c1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000092785492 662335726 /nfs/dbraw/zinc/33/57/26/662335726.db2.gz RSOKLHMRKABJBM-LJQANCHMSA-N 1 0 301.478 3.203 10 10 DGCERO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H](C)NC(=O)OC(C)(C)C ZINC000381799806 685159624 /nfs/dbraw/zinc/15/96/24/685159624.db2.gz UDFFUBYBVZUDEW-DYEKYZERSA-N 1 0 320.433 3.271 10 10 DGCERO COc1ccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)cc1C ZINC000397854413 1177013144 /nfs/dbraw/zinc/01/31/44/1177013144.db2.gz LPJHOOIGYYXJIO-UHFFFAOYSA-N 1 0 322.449 3.398 10 10 DGCERO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1F ZINC000194009928 1201338127 /nfs/dbraw/zinc/33/81/27/1201338127.db2.gz MQFDAOLKYXJKRD-ZTFGCOKTSA-N 1 0 318.436 3.329 10 10 DGCERO CC[N@H+](Cc1cccc(Br)c1[O-])[C@H]1CCCOC1 ZINC000402753749 1094060910 /nfs/dbraw/zinc/06/09/10/1094060910.db2.gz MJKQUOOBOJWYFL-LBPRGKRZSA-N 1 0 314.223 3.156 10 10 DGCERO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000092812384 185343471 /nfs/dbraw/zinc/34/34/71/185343471.db2.gz CNNFCYVUAMLNRK-KRWDZBQOSA-N 1 0 310.445 3.082 10 10 DGCERO Cc1cccc(N2C(=O)[C@H](C[NH+]3CCCCC3)SC2=S)c1 ZINC000005755419 181280594 /nfs/dbraw/zinc/28/05/94/181280594.db2.gz FXFFWPIYVAESOW-AWEZNQCLSA-N 1 0 320.483 3.214 10 10 DGCERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000179780524 432070330 /nfs/dbraw/zinc/07/03/30/432070330.db2.gz JGOXANQBSOWPJV-LBPRGKRZSA-N 1 0 305.809 3.457 10 10 DGCERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180119904 432079000 /nfs/dbraw/zinc/07/90/00/432079000.db2.gz PZIIIZJLGKPFHN-OAHLLOKOSA-N 1 0 303.381 3.219 10 10 DGCERO [O-]c1c(F)cccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309766013 285380374 /nfs/dbraw/zinc/38/03/74/285380374.db2.gz ZLCYSLZJSOCRIN-MRXNPFEDSA-N 1 0 314.404 3.143 10 10 DGCERO COc1cccc([C@H]2C[N@H+](Cc3cccc(C)c3O)CCO2)c1 ZINC000180047677 228354130 /nfs/dbraw/zinc/35/41/30/228354130.db2.gz NQLWIMHZVLRROC-GOSISDBHSA-N 1 0 313.397 3.283 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000185585372 228393664 /nfs/dbraw/zinc/39/36/64/228393664.db2.gz JESOZJBJQTTXDF-STQMWFEESA-N 1 0 300.406 3.040 10 10 DGCERO Cc1ccccc1[C@@H]1C[NH2+]CCc2c(Cl)c(O)c(O)cc21 ZINC000027106319 431682390 /nfs/dbraw/zinc/68/23/90/431682390.db2.gz HXZMFUWALAULEQ-AWEZNQCLSA-N 1 0 303.789 3.337 10 10 DGCERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000122724737 431842475 /nfs/dbraw/zinc/84/24/75/431842475.db2.gz UXRJQUVTPQNCQC-GOSISDBHSA-N 1 0 312.461 3.440 10 10 DGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000123086831 431854035 /nfs/dbraw/zinc/85/40/35/431854035.db2.gz RZEPLHNFGKTZAL-MRXNPFEDSA-N 1 0 315.417 3.133 10 10 DGCERO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812627 431911427 /nfs/dbraw/zinc/91/14/27/431911427.db2.gz TUSFMOCCJJTBOZ-CYBMUJFWSA-N 1 0 317.820 3.375 10 10 DGCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1cc2c(cc1O)CCCC2 ZINC000251853891 432371922 /nfs/dbraw/zinc/37/19/22/432371922.db2.gz NTCZFLIMFJBCJR-FAAYRAOTSA-N 1 0 301.430 3.489 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000186151629 432563004 /nfs/dbraw/zinc/56/30/04/432563004.db2.gz KDZQQAKPWPXDDP-JTQLQIEISA-N 1 0 313.323 3.304 10 10 DGCERO Cc1cnn(CC[NH2+][C@@H](C)c2cc(Br)ccc2O)c1 ZINC000185842465 432538742 /nfs/dbraw/zinc/53/87/42/432538742.db2.gz VEGNUEUASPDQPL-NSHDSACASA-N 1 0 324.222 3.010 10 10 DGCERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CC)c1ccccc1O ZINC000156314795 522514347 /nfs/dbraw/zinc/51/43/47/522514347.db2.gz LPFBPTBDZMYJOP-KBPBESRZSA-N 1 0 300.406 3.122 10 10 DGCERO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000180265909 525458804 /nfs/dbraw/zinc/45/88/04/525458804.db2.gz QLLIWXYHIGNYNB-VQIMIIECSA-N 1 0 318.461 3.133 10 10 DGCERO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccnn2C)c1O ZINC000186992312 526160464 /nfs/dbraw/zinc/16/04/64/526160464.db2.gz QJVFRKODTQLSCB-JTQLQIEISA-N 1 0 324.222 3.047 10 10 DGCERO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000151648681 620467922 /nfs/dbraw/zinc/46/79/22/620467922.db2.gz QJLOOLYWSBCSHZ-AWEZNQCLSA-N 1 0 305.418 3.209 10 10 DGCERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1O ZINC000153959389 620627292 /nfs/dbraw/zinc/62/72/92/620627292.db2.gz CNTPUJJWZPERGC-UONOGXRCSA-N 1 0 308.385 3.385 10 10 DGCERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000120552765 621915870 /nfs/dbraw/zinc/91/58/70/621915870.db2.gz LENAHEOKSJCDNK-KGLIPLIRSA-N 1 0 314.477 3.385 10 10 DGCERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000221045070 627213311 /nfs/dbraw/zinc/21/33/11/627213311.db2.gz BVFHKUUJYZODKS-UHFFFAOYSA-N 1 0 320.433 3.014 10 10 DGCERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186227640 660350168 /nfs/dbraw/zinc/35/01/68/660350168.db2.gz HNTVKZZTNKOMGV-ZDUSSCGKSA-N 1 0 301.434 3.334 10 10 DGCERO Oc1cccc(Br)c1C[NH2+]CC[C@@H]1CC1(F)F ZINC000706880723 660879444 /nfs/dbraw/zinc/87/94/44/660879444.db2.gz IJHGMAIRABEQDN-MRVPVSSYSA-N 1 0 306.150 3.290 10 10 DGCERO Cc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000715142798 661208829 /nfs/dbraw/zinc/20/88/29/661208829.db2.gz WYGYHZTYRBQYSZ-OTVXOJSOSA-N 1 0 320.433 3.094 10 10 DGCERO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccns1 ZINC000715940137 661216033 /nfs/dbraw/zinc/21/60/33/661216033.db2.gz DIOGRMPKQFENPO-QMMMGPOBSA-N 1 0 313.220 3.462 10 10 DGCERO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722405717 656722711 /nfs/dbraw/zinc/72/27/11/656722711.db2.gz ZXYOZJRKNQMKHN-ZYHUDNBSSA-N 1 0 309.715 3.245 10 10 DGCERO COc1cc(C)cc(C[NH+]2CCC(OCC(C)C)CC2)c1O ZINC000178863257 657092739 /nfs/dbraw/zinc/09/27/39/657092739.db2.gz TWYYCQXBUMFXGM-UHFFFAOYSA-N 1 0 307.434 3.346 10 10 DGCERO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)c1ccccc1O ZINC000720682580 658082065 /nfs/dbraw/zinc/08/20/65/658082065.db2.gz ZSHKEPFDSALQKX-GFCCVEGCSA-N 1 0 324.222 3.129 10 10 DGCERO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000164504484 658937539 /nfs/dbraw/zinc/93/75/39/658937539.db2.gz IEROVDIHHAQJQU-OAHLLOKOSA-N 1 0 319.426 3.344 10 10 DGCERO COc1cc(Cl)cc(C[NH2+][C@@H](CC(C)C)CN(C)C)c1O ZINC000228673288 659201999 /nfs/dbraw/zinc/20/19/99/659201999.db2.gz CNSYWIRHHFBIFS-AWEZNQCLSA-N 1 0 314.857 3.120 10 10 DGCERO COc1ccc2ccc(O)c(C[N@@H+]3CCS[C@H](C)C3)c2c1 ZINC000171606548 659290809 /nfs/dbraw/zinc/29/08/09/659290809.db2.gz XOPHZTMBADZEIZ-GFCCVEGCSA-N 1 0 303.427 3.491 10 10 DGCERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(C)ccc1O ZINC000246195812 662250221 /nfs/dbraw/zinc/25/02/21/662250221.db2.gz LOQUJGJCUYAUNT-BMFZPTHFSA-N 1 0 303.402 3.007 10 10 DGCERO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H](C)NC(=O)OC(C)(C)C ZINC000381799813 685159725 /nfs/dbraw/zinc/15/97/25/685159725.db2.gz UDFFUBYBVZUDEW-MBNYWOFBSA-N 1 0 320.433 3.271 10 10 DGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000381846252 685160197 /nfs/dbraw/zinc/16/01/97/685160197.db2.gz YXRYYOGVQYTYME-ZIAGYGMSSA-N 1 0 322.449 3.395 10 10 DGCERO CS[C@@H]1CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000390573308 685203199 /nfs/dbraw/zinc/20/31/99/685203199.db2.gz VNHRNJRKUQTWCP-ZYHUDNBSSA-N 1 0 302.237 3.138 10 10 DGCERO c1cn(Cc2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2)cn1 ZINC000077327325 1196588093 /nfs/dbraw/zinc/58/80/93/1196588093.db2.gz VXIHIAMDUBTZEM-UHFFFAOYSA-N 1 0 319.408 3.156 10 10 DGCERO CN(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000097503618 1199139326 /nfs/dbraw/zinc/13/93/26/1199139326.db2.gz PCJDONCVBISJBX-GOSISDBHSA-N 1 0 302.462 3.222 10 10 DGCERO c1[nH]nc2c1C[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000124617750 1200357623 /nfs/dbraw/zinc/35/76/23/1200357623.db2.gz OGZBAXCELHJSKK-QGZVFWFLSA-N 1 0 310.445 3.047 10 10 DGCERO c1cc(N2CCOCC2)ccc1C[NH2+]CC1(C2CC2)CCC1 ZINC000127512416 1200685720 /nfs/dbraw/zinc/68/57/20/1200685720.db2.gz WLXKFGLAPKHJCN-UHFFFAOYSA-N 1 0 300.446 3.193 10 10 DGCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1 ZINC000246314683 432118017 /nfs/dbraw/zinc/11/80/17/432118017.db2.gz DZCABWOLSWSRAI-AEFFLSMTSA-N 1 0 324.472 3.467 10 10 DGCERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cc(F)ccc1O ZINC000176981353 533509983 /nfs/dbraw/zinc/50/99/83/533509983.db2.gz NJTVFJJHXQXRBT-DYVFJYSZSA-N 1 0 302.393 3.485 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C12CCOCC2 ZINC000248651021 286402164 /nfs/dbraw/zinc/40/21/64/286402164.db2.gz XBFRXRIDNGRXCA-FHLIZLRMSA-N 1 0 319.445 3.325 10 10 DGCERO Cc1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1O ZINC000179611653 228352503 /nfs/dbraw/zinc/35/25/03/228352503.db2.gz QFODCVLWMAPTMD-UHFFFAOYSA-N 1 0 322.412 3.123 10 10 DGCERO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1cc(F)ccc1O ZINC000185879807 228399836 /nfs/dbraw/zinc/39/98/36/228399836.db2.gz XADZEZJFXBHSPZ-RISCZKNCSA-N 1 0 314.360 3.308 10 10 DGCERO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc2ccccc2c1O ZINC000185662881 278384507 /nfs/dbraw/zinc/38/45/07/278384507.db2.gz SIPOXWFJGGHURO-WBMJQRKESA-N 1 0 308.385 3.323 10 10 DGCERO CC[C@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)ccc1O ZINC000109543676 431180375 /nfs/dbraw/zinc/18/03/75/431180375.db2.gz RCWFITFJZSMEBD-YPMHNXCESA-N 1 0 314.223 3.374 10 10 DGCERO CC[C@@H]([NH2+]Cc1ccnn1C)c1cc(Br)ccc1O ZINC000071333098 431279541 /nfs/dbraw/zinc/27/95/41/431279541.db2.gz LJLNFDSFIKLXOL-CYBMUJFWSA-N 1 0 324.222 3.129 10 10 DGCERO Cn1cc([C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)cn1 ZINC000116257585 431498256 /nfs/dbraw/zinc/49/82/56/431498256.db2.gz BMIAGMRISVSWAU-OAHLLOKOSA-N 1 0 307.397 3.268 10 10 DGCERO Cn1cc([C@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)cn1 ZINC000116257588 431499394 /nfs/dbraw/zinc/49/93/94/431499394.db2.gz BMIAGMRISVSWAU-HNNXBMFYSA-N 1 0 307.397 3.268 10 10 DGCERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000089518205 431869044 /nfs/dbraw/zinc/86/90/44/431869044.db2.gz KHYRAMYDKBKKGL-AWEZNQCLSA-N 1 0 314.433 3.262 10 10 DGCERO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1C ZINC000093457725 431915581 /nfs/dbraw/zinc/91/55/81/431915581.db2.gz WQEAIHUOLWBEOV-IBGZPJMESA-N 1 0 313.397 3.288 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@H]1Oc1ccccc1 ZINC000248577914 432303377 /nfs/dbraw/zinc/30/33/77/432303377.db2.gz URCUZOJPNNQFTQ-QXAKKESOSA-N 1 0 313.397 3.107 10 10 DGCERO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cc(Cl)ccc1O ZINC000248526652 432297490 /nfs/dbraw/zinc/29/74/90/432297490.db2.gz VDCSXADDZVQGKQ-LZVXQISVSA-N 1 0 303.789 3.355 10 10 DGCERO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000185370070 432496169 /nfs/dbraw/zinc/49/61/69/432496169.db2.gz LHLKRFOSIZHFOS-DOMZBBRYSA-N 1 0 305.805 3.300 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996584 432552543 /nfs/dbraw/zinc/55/25/43/432552543.db2.gz XQZKRKAVVIPPFZ-UONOGXRCSA-N 1 0 314.433 3.081 10 10 DGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c(O)c1 ZINC000185997180 432552676 /nfs/dbraw/zinc/55/26/76/432552676.db2.gz PHTDOJKVHGIANK-UONOGXRCSA-N 1 0 314.433 3.081 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc2ccccc2c1O ZINC000185662823 432522891 /nfs/dbraw/zinc/52/28/91/432522891.db2.gz SIPOXWFJGGHURO-BLLLJJGKSA-N 1 0 308.385 3.323 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c(O)c1 ZINC000186293860 432580160 /nfs/dbraw/zinc/58/01/60/432580160.db2.gz KQYRFGMAHBVWCZ-KGLIPLIRSA-N 1 0 314.433 3.081 10 10 DGCERO Cc1ccc(O)c(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000226647903 432708189 /nfs/dbraw/zinc/70/81/89/432708189.db2.gz JLJOLUGTMDAFPN-CYBMUJFWSA-N 1 0 308.422 3.094 10 10 DGCERO COc1ccc(N2CCCN(c3ccnc(C4CC4)n3)CC2)cc1 ZINC000301228275 433460764 /nfs/dbraw/zinc/46/07/64/433460764.db2.gz GDYAECOQHXHAJC-UHFFFAOYSA-N 1 0 324.428 3.079 10 10 DGCERO COc1cccc(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185040427 333368787 /nfs/dbraw/zinc/36/87/87/333368787.db2.gz SDFYSYPTFPWLSB-ZDUSSCGKSA-N 1 0 301.386 3.303 10 10 DGCERO CCOc1cccc(C[NH2+]Cc2cc(F)ccc2OC)c1O ZINC000189208229 521367532 /nfs/dbraw/zinc/36/75/32/521367532.db2.gz QCFCPEJSHPRMMD-UHFFFAOYSA-N 1 0 305.349 3.228 10 10 DGCERO CC[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccccc1O ZINC000156569314 522583847 /nfs/dbraw/zinc/58/38/47/522583847.db2.gz MFJNIQOMZKKARS-AWEZNQCLSA-N 1 0 318.442 3.315 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c1 ZINC000180021848 524751005 /nfs/dbraw/zinc/75/10/05/524751005.db2.gz FIMHPVSPNJSPDG-AUUYWEPGSA-N 1 0 313.397 3.363 10 10 DGCERO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000130657859 525957745 /nfs/dbraw/zinc/95/77/45/525957745.db2.gz FHLVTSATJNTXCJ-KSSFIOAISA-N 1 0 313.397 3.363 10 10 DGCERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000230684973 546274371 /nfs/dbraw/zinc/27/43/71/546274371.db2.gz AILHQXKBDJHKDC-DZGCQCFKSA-N 1 0 320.433 3.175 10 10 DGCERO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725848621 575929897 /nfs/dbraw/zinc/92/98/97/575929897.db2.gz YZCVVWVOKPVATQ-UKRRQHHQSA-N 1 0 303.406 3.331 10 10 DGCERO Cc1cc(CC[NH2+]Cc2ccnn2C)c(C)n1-c1ccccc1 ZINC000727642866 576135801 /nfs/dbraw/zinc/13/58/01/576135801.db2.gz OFDPUKUWJCDBHZ-UHFFFAOYSA-N 1 0 308.429 3.160 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)c1 ZINC000185559287 660229571 /nfs/dbraw/zinc/22/95/71/660229571.db2.gz UZWOVWSSAXFIEX-NWDGAFQWSA-N 1 0 317.433 3.033 10 10 DGCERO Oc1cc(Br)ccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701937027 660693034 /nfs/dbraw/zinc/69/30/34/660693034.db2.gz VRORBWKOBGQBCA-SECBINFHSA-N 1 0 306.150 3.290 10 10 DGCERO Oc1cc(Br)ccc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704869985 660823029 /nfs/dbraw/zinc/82/30/29/660823029.db2.gz XFNRALBZQOIYAJ-SNVBAGLBSA-N 1 0 316.264 3.388 10 10 DGCERO CCCN(CCC)c1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000176756175 655801315 /nfs/dbraw/zinc/80/13/15/655801315.db2.gz MQRLTBVJYGSGIS-SFHVURJKSA-N 1 0 322.518 3.271 10 10 DGCERO C[C@@H]([NH2+]Cc1c(O)cccc1Br)c1ccns1 ZINC000716032222 661216561 /nfs/dbraw/zinc/21/65/61/661216561.db2.gz BKXCVPHMCNUDPK-MRVPVSSYSA-N 1 0 313.220 3.462 10 10 DGCERO CC1([NH2+]Cc2cc(Br)ccc2O)CC(F)(F)C1 ZINC000720936847 658237007 /nfs/dbraw/zinc/23/70/07/658237007.db2.gz UYQREBKBMNTKMM-UHFFFAOYSA-N 1 0 306.150 3.432 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)c1 ZINC000192926375 658796809 /nfs/dbraw/zinc/79/68/09/658796809.db2.gz XBKBTUVMBKVSJN-KBXCAEBGSA-N 1 0 314.429 3.354 10 10 DGCERO Cc1csc([C@H]2CN(Cc3cc(C)cc(C)c3O)CCO2)n1 ZINC000164245555 658923188 /nfs/dbraw/zinc/92/31/88/658923188.db2.gz HYYLWAARKCHBCQ-OAHLLOKOSA-N 1 0 318.442 3.347 10 10 DGCERO COc1cc(C[N@H+](C)C[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000164356054 658929586 /nfs/dbraw/zinc/92/95/86/658929586.db2.gz LDKNCHLKXMVFJD-AWEZNQCLSA-N 1 0 307.434 3.309 10 10 DGCERO COc1cc(Cl)cc(C[NH2+][C@H](CC(C)C)CN(C)C)c1O ZINC000228673299 659202131 /nfs/dbraw/zinc/20/21/31/659202131.db2.gz CNSYWIRHHFBIFS-CQSZACIVSA-N 1 0 314.857 3.120 10 10 DGCERO CC[C@H]([NH2+]C1CC(OC)C1)c1cc(Br)ccc1O ZINC000229578429 659270148 /nfs/dbraw/zinc/27/01/48/659270148.db2.gz HBDRIIQTLLBZAZ-XIVSLSHWSA-N 1 0 314.223 3.373 10 10 DGCERO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[NH2+]CC1 ZINC000231457828 659385375 /nfs/dbraw/zinc/38/53/75/659385375.db2.gz CUKIRBOVPQWYSQ-GFCCVEGCSA-N 1 0 303.233 3.273 10 10 DGCERO COCC(C)(C)CC[NH2+]Cc1cc(Br)ccc1O ZINC000718757924 662260900 /nfs/dbraw/zinc/26/09/00/662260900.db2.gz QHVPNRNRXZUNSF-UHFFFAOYSA-N 1 0 316.239 3.307 10 10 DGCERO Cc1ccc(O)c(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000092755016 662335167 /nfs/dbraw/zinc/33/51/67/662335167.db2.gz BDHATKXMBYXFCT-OAHLLOKOSA-N 1 0 318.461 3.073 10 10 DGCERO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000093757739 662359941 /nfs/dbraw/zinc/35/99/41/662359941.db2.gz SPEZCWCBXLIJFU-OAHLLOKOSA-N 1 0 320.433 3.190 10 10 DGCERO c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000054173972 1194758144 /nfs/dbraw/zinc/75/81/44/1194758144.db2.gz SVURYUQUNOUCNI-UHFFFAOYSA-N 1 0 305.381 3.097 10 10 DGCERO COc1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)cc1C ZINC000716295293 1091953310 /nfs/dbraw/zinc/95/33/10/1091953310.db2.gz XJUNUUXMCSGCEJ-LJQANCHMSA-N 1 0 310.441 3.368 10 10 DGCERO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CN(C(=O)OC(C)(C)C)C1 ZINC000401671433 1093963542 /nfs/dbraw/zinc/96/35/42/1093963542.db2.gz LOQKQCSSQVFEDY-HIFRSBDPSA-N 1 0 320.433 3.127 10 10 DGCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403174548 1094102286 /nfs/dbraw/zinc/10/22/86/1094102286.db2.gz DRAWCMDCJMZFIT-FGTMMUONSA-N 1 0 300.446 3.049 10 10 DGCERO Cc1cccc(C[NH+]2CCC(Nc3nccs3)CC2)c1O ZINC000189949743 432108287 /nfs/dbraw/zinc/10/82/87/432108287.db2.gz KMMWNCYRTZVHTC-UHFFFAOYSA-N 1 0 303.431 3.234 10 10 DGCERO c1ccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC000091676242 400131135 /nfs/dbraw/zinc/13/11/35/400131135.db2.gz WMYHHVBBBVTTGW-UHFFFAOYSA-N 1 0 322.456 3.226 10 10 DGCERO COc1ccc(C[N@H+](C)CCCc2ccc(N)cc2)cc1OC ZINC000136332019 400591483 /nfs/dbraw/zinc/59/14/83/400591483.db2.gz UCRGQRHPPKJIGF-UHFFFAOYSA-N 1 0 314.429 3.351 10 10 DGCERO Cc1ccc(O)c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000172112647 432197327 /nfs/dbraw/zinc/19/73/27/432197327.db2.gz AIXOEGOVVZQNBF-UHFFFAOYSA-N 1 0 324.424 3.095 10 10 DGCERO Oc1ccc(F)cc1C[NH+]1CCC(Nc2nccs2)CC1 ZINC000189960491 228497336 /nfs/dbraw/zinc/49/73/36/228497336.db2.gz NOYMXEYMZFJZDB-UHFFFAOYSA-N 1 0 307.394 3.064 10 10 DGCERO COc1cccc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1O ZINC000191226519 432236989 /nfs/dbraw/zinc/23/69/89/432236989.db2.gz LCBLPDWRZGFGTR-UHFFFAOYSA-N 1 0 305.418 3.324 10 10 DGCERO C[C@]12CC[C@@H]3c4ccc(O)c(C[NH3+])c4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000027200885 431687407 /nfs/dbraw/zinc/68/74/07/431687407.db2.gz KNGPSVFXRQOIMN-AFTVQHQSSA-N 1 0 301.430 3.068 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2O)C12CCOCC2 ZINC000248544580 432299326 /nfs/dbraw/zinc/29/93/26/432299326.db2.gz DPXQHJOQHMZNNR-BPQIPLTHSA-N 1 0 319.445 3.407 10 10 DGCERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000184982659 432452015 /nfs/dbraw/zinc/45/20/15/432452015.db2.gz MMCCRTDSZPIWRC-LBPRGKRZSA-N 1 0 324.852 3.343 10 10 DGCERO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000184982673 432453073 /nfs/dbraw/zinc/45/30/73/432453073.db2.gz MMCCRTDSZPIWRC-GFCCVEGCSA-N 1 0 324.852 3.343 10 10 DGCERO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@@H]1CCCO1 ZINC000185001525 432453654 /nfs/dbraw/zinc/45/36/54/432453654.db2.gz TYKFUNCFYBWHAH-RBZYPMLTSA-N 1 0 314.223 3.373 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996569 432552713 /nfs/dbraw/zinc/55/27/13/432552713.db2.gz XQZKRKAVVIPPFZ-ZIAGYGMSSA-N 1 0 314.433 3.081 10 10 DGCERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186096264 432557958 /nfs/dbraw/zinc/55/79/58/432557958.db2.gz BTJOHTFTLXWKGC-ZANVPECISA-N 1 0 306.797 3.131 10 10 DGCERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1O ZINC000277922979 432878911 /nfs/dbraw/zinc/87/89/11/432878911.db2.gz QCHNIMZGXFETEJ-ZFWWWQNUSA-N 1 0 320.433 3.127 10 10 DGCERO Cc1ccnc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000371887664 434766467 /nfs/dbraw/zinc/76/64/67/434766467.db2.gz IMDQRNHWSFFJTP-UHFFFAOYSA-N 1 0 310.445 3.231 10 10 DGCERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000186096295 333216994 /nfs/dbraw/zinc/21/69/94/333216994.db2.gz BTJOHTFTLXWKGC-RNCFNFMXSA-N 1 0 306.797 3.131 10 10 DGCERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180120408 522600147 /nfs/dbraw/zinc/60/01/47/522600147.db2.gz LDYNGTXGDTWPBM-HNNXBMFYSA-N 1 0 303.381 3.127 10 10 DGCERO Cc1cc(Cl)cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1O ZINC000181617233 524869183 /nfs/dbraw/zinc/86/91/83/524869183.db2.gz KBWVUUCPQYTJOZ-AWEZNQCLSA-N 1 0 308.809 3.340 10 10 DGCERO CC(C)[NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000053010790 527734779 /nfs/dbraw/zinc/73/47/79/527734779.db2.gz AWNKCKDHJFDAEK-GFCCVEGCSA-N 1 0 302.340 3.410 10 10 DGCERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000120552939 621915866 /nfs/dbraw/zinc/91/58/66/621915866.db2.gz LENAHEOKSJCDNK-KBPBESRZSA-N 1 0 314.477 3.385 10 10 DGCERO CO[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@@H]1C ZINC000707138784 660888616 /nfs/dbraw/zinc/88/86/16/660888616.db2.gz HFJUOGGRWKFGKI-IINYFYTJSA-N 1 0 314.223 3.012 10 10 DGCERO CC[N@H+](Cc1c(O)cccc1Br)[C@@H]1CCCOC1 ZINC000707131028 660889746 /nfs/dbraw/zinc/88/97/46/660889746.db2.gz FXIJKPKIBHJGDP-LLVKDONJSA-N 1 0 314.223 3.156 10 10 DGCERO COc1cc(Cl)cc(C[N@@H+](C[C@H](C)OC)C(C)C)c1O ZINC000708277950 660919516 /nfs/dbraw/zinc/91/95/16/660919516.db2.gz JINDQVTXWQURSU-NSHDSACASA-N 1 0 301.814 3.300 10 10 DGCERO CC(C)(C)OCC[NH2+]Cc1cc(Br)ccc1O ZINC000308728003 655739066 /nfs/dbraw/zinc/73/90/66/655739066.db2.gz HPNQFNBIZNBCDC-UHFFFAOYSA-N 1 0 302.212 3.059 10 10 DGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1C ZINC000227757706 659163165 /nfs/dbraw/zinc/16/31/65/659163165.db2.gz QDHIQGZTEWSGKV-VOTSOKGWSA-N 1 0 320.433 3.174 10 10 DGCERO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1ccccc1O ZINC000180392142 659961673 /nfs/dbraw/zinc/96/16/73/659961673.db2.gz YRNTZYOMHOVQMM-ZFWWWQNUSA-N 1 0 320.433 3.127 10 10 DGCERO COC(=O)c1sccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182371039 660048231 /nfs/dbraw/zinc/04/82/31/660048231.db2.gz IZRQGJDRJCANQS-JTQLQIEISA-N 1 0 321.398 3.100 10 10 DGCERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000183483766 660117847 /nfs/dbraw/zinc/11/78/47/660117847.db2.gz MCMMFZFKSRXRHM-CQSZACIVSA-N 1 0 314.477 3.386 10 10 DGCERO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000188400002 661929928 /nfs/dbraw/zinc/92/99/28/661929928.db2.gz MWAHAWUXBNXBLJ-IBGZPJMESA-N 1 0 312.461 3.394 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccncc2OC)c1 ZINC000188796918 661945301 /nfs/dbraw/zinc/94/53/01/661945301.db2.gz LKNXYFWFLUCPQV-NWDGAFQWSA-N 1 0 302.374 3.216 10 10 DGCERO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H]1CCCCO1 ZINC000379179827 685147329 /nfs/dbraw/zinc/14/73/29/685147329.db2.gz ORCBFHPGFAWNDQ-QMTHXVAHSA-N 1 0 314.223 3.202 10 10 DGCERO CC[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)NC(=O)OC(C)(C)C ZINC000227716906 1176524496 /nfs/dbraw/zinc/52/44/96/1176524496.db2.gz AUQPHDLDDLZTBZ-HNNXBMFYSA-N 1 0 322.449 3.397 10 10 DGCERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000389866912 1197711697 /nfs/dbraw/zinc/71/16/97/1197711697.db2.gz MALQOJFNDZGVRW-OXQOHEQNSA-N 1 0 322.452 3.232 10 10 DGCERO c1cc(C[NH2+]Cc2ccc(OCC3CC3)nc2)cc2c1OCC2 ZINC000159943806 1202606905 /nfs/dbraw/zinc/60/69/05/1202606905.db2.gz VVUFXHKRLOGHPT-UHFFFAOYSA-N 1 0 310.397 3.095 10 10 DGCERO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128553355 227011731 /nfs/dbraw/zinc/01/17/31/227011731.db2.gz GUQWDSONZKDDOX-HNNXBMFYSA-N 1 0 322.412 3.049 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c(O)c1 ZINC000185586012 228393570 /nfs/dbraw/zinc/39/35/70/228393570.db2.gz QNYXEPHTUWMHQO-CHWSQXEVSA-N 1 0 300.406 3.040 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)C12CCOCC2 ZINC000248636048 432307596 /nfs/dbraw/zinc/30/75/96/432307596.db2.gz KUIMHLMBYZODSV-XOKHGSTOSA-N 1 0 305.418 3.017 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c(O)c1 ZINC000192709244 432403292 /nfs/dbraw/zinc/40/32/92/432403292.db2.gz IGVFTDBZADKMCP-OAHLLOKOSA-N 1 0 311.429 3.415 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000184989342 432454139 /nfs/dbraw/zinc/45/41/39/432454139.db2.gz AGUYUKWFPFBZCL-AWEZNQCLSA-N 1 0 308.385 3.132 10 10 DGCERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185682348 432524043 /nfs/dbraw/zinc/52/40/43/432524043.db2.gz SRFNPYJEFYZOGE-GXFFZTMASA-N 1 0 320.824 3.385 10 10 DGCERO c1nc2c([nH]1)C[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000377789550 433995818 /nfs/dbraw/zinc/99/58/18/433995818.db2.gz YCQZYGCOIRMMAY-MRXNPFEDSA-N 1 0 310.445 3.047 10 10 DGCERO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000377788773 433996260 /nfs/dbraw/zinc/99/62/60/433996260.db2.gz YCQZYGCOIRMMAY-INIZCTEOSA-N 1 0 310.445 3.047 10 10 DGCERO Cc1ccnc(C2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000371889346 434767303 /nfs/dbraw/zinc/76/73/03/434767303.db2.gz XNGVUASNRALHCV-UHFFFAOYSA-N 1 0 311.429 3.487 10 10 DGCERO C[C@H](CC[NH2+][C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C ZINC000183595943 533942719 /nfs/dbraw/zinc/94/27/19/533942719.db2.gz GDMVJPPDWYPCAY-OLZOCXBDSA-N 1 0 308.422 3.346 10 10 DGCERO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000128536900 520896049 /nfs/dbraw/zinc/89/60/49/520896049.db2.gz DGZOXCZVGZWZNG-QGZVFWFLSA-N 1 0 312.461 3.256 10 10 DGCERO CC[C@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1O ZINC000156508955 522722452 /nfs/dbraw/zinc/72/24/52/522722452.db2.gz ALHIBPDEBLLHHK-HIFRSBDPSA-N 1 0 314.433 3.163 10 10 DGCERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000130487166 524799829 /nfs/dbraw/zinc/79/98/29/524799829.db2.gz WUYWUEFUSDNYGN-RDTXWAMCSA-N 1 0 314.429 3.145 10 10 DGCERO Cc1ccc(O)c(C[NH2+]CCCc2nc3ccccc3n2C)c1 ZINC000124405121 525350545 /nfs/dbraw/zinc/35/05/45/525350545.db2.gz CFSLTUFBKVZWHX-UHFFFAOYSA-N 1 0 309.413 3.310 10 10 DGCERO CCCOc1ccc(CN2CCC([NH+]3CCCC3)CC2)c(O)c1 ZINC000127754003 528663374 /nfs/dbraw/zinc/66/33/74/528663374.db2.gz HOXREQDIAAAWDI-UHFFFAOYSA-N 1 0 318.461 3.241 10 10 DGCERO Cn1ccnc1C[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000742388077 574995960 /nfs/dbraw/zinc/99/59/60/574995960.db2.gz KQDBZERHMDTGIV-QGZVFWFLSA-N 1 0 307.397 3.199 10 10 DGCERO Cc1ccc(C)n1-c1ccsc1C(=O)NCCCC[NH+](C)C ZINC000729628251 575257880 /nfs/dbraw/zinc/25/78/80/575257880.db2.gz XKIBWMYQKIYASD-UHFFFAOYSA-N 1 0 319.474 3.227 10 10 DGCERO CN(C)C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000021014262 619058038 /nfs/dbraw/zinc/05/80/38/619058038.db2.gz OCJHOLGBKDVWCJ-INIZCTEOSA-N 1 0 304.821 3.438 10 10 DGCERO CC[N@H+](CCc1nccs1)Cc1cc2c(cc1O)CCC2 ZINC000134033302 626851326 /nfs/dbraw/zinc/85/13/26/626851326.db2.gz QDBWISNGTNXIMG-UHFFFAOYSA-N 1 0 302.443 3.402 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000185507446 660226302 /nfs/dbraw/zinc/22/63/02/660226302.db2.gz YPYAJTHOPDDWPY-FDQGKXFDSA-N 1 0 303.446 3.473 10 10 DGCERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000185531491 660227223 /nfs/dbraw/zinc/22/72/23/660227223.db2.gz QWBGWQBSOZDKOI-OWQGQXMQSA-N 1 0 303.446 3.473 10 10 DGCERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185560038 660229882 /nfs/dbraw/zinc/22/98/82/660229882.db2.gz MZWGWLUOXWTRQT-QWRGUYRKSA-N 1 0 305.397 3.163 10 10 DGCERO CCc1cnc(CC[NH2+][C@H](C)c2cc(OC)ccc2O)s1 ZINC000185583353 660231841 /nfs/dbraw/zinc/23/18/41/660231841.db2.gz XERAVIIQQFULAE-LLVKDONJSA-N 1 0 306.431 3.313 10 10 DGCERO CC[C@H]([NH2+]C[C@H](O)c1ccccc1OC)c1ccccc1O ZINC000186122852 660267932 /nfs/dbraw/zinc/26/79/32/660267932.db2.gz UCRLXNSAVQWMSJ-RDJZCZTQSA-N 1 0 301.386 3.175 10 10 DGCERO C[C@@]1(C[NH2+]Cc2c(O)cccc2Br)CC1(F)F ZINC000706872917 660875981 /nfs/dbraw/zinc/87/59/81/660875981.db2.gz UUTFSOPKHWGAKR-NSHDSACASA-N 1 0 306.150 3.290 10 10 DGCERO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000178612731 655785142 /nfs/dbraw/zinc/78/51/42/655785142.db2.gz UJJUFOYAVVBJGD-QGZVFWFLSA-N 1 0 311.429 3.124 10 10 DGCERO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCCS2)c1O ZINC000715599826 661212823 /nfs/dbraw/zinc/21/28/23/661212823.db2.gz GCETZWNJGLIHOI-LBPRGKRZSA-N 1 0 301.839 3.430 10 10 DGCERO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccns1 ZINC000715940134 661215899 /nfs/dbraw/zinc/21/58/99/661215899.db2.gz DIOGRMPKQFENPO-MRVPVSSYSA-N 1 0 313.220 3.462 10 10 DGCERO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000178612740 656959777 /nfs/dbraw/zinc/95/97/77/656959777.db2.gz UJJUFOYAVVBJGD-KRWDZBQOSA-N 1 0 311.429 3.124 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)c1 ZINC000192926390 658796790 /nfs/dbraw/zinc/79/67/90/658796790.db2.gz XBKBTUVMBKVSJN-RDTXWAMCSA-N 1 0 314.429 3.354 10 10 DGCERO CC(C)(C)OC(=O)N1CCC[C@@H]1CC[NH2+]Cc1ccccc1O ZINC000227639715 659159324 /nfs/dbraw/zinc/15/93/24/659159324.db2.gz WAPOOMKITVNCHB-OAHLLOKOSA-N 1 0 320.433 3.271 10 10 DGCERO CCN(CC)c1ccc(C[NH2+][C@H](COC)C2CCOCC2)cc1 ZINC000187795637 659320990 /nfs/dbraw/zinc/32/09/90/659320990.db2.gz LAJJMGJIEHJGHT-LJQANCHMSA-N 1 0 320.477 3.064 10 10 DGCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000246924422 662291326 /nfs/dbraw/zinc/29/13/26/662291326.db2.gz GPCXQAFOTYANPT-JXFKEZNVSA-N 1 0 312.457 3.397 10 10 DGCERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc2ccccc2c1O ZINC000168847368 685101881 /nfs/dbraw/zinc/10/18/81/685101881.db2.gz BISOSPXBFPINOB-OYMPBJRDSA-N 1 0 305.443 3.353 10 10 DGCERO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCCCO1 ZINC000379179825 685147385 /nfs/dbraw/zinc/14/73/85/685147385.db2.gz ORCBFHPGFAWNDQ-HZMBPMFUSA-N 1 0 314.223 3.202 10 10 DGCERO c1csc(SCCC[NH2+]Cc2cnc3ccccn23)n1 ZINC000124238332 1200333963 /nfs/dbraw/zinc/33/39/63/1200333963.db2.gz HKXJLPIKVVIUND-UHFFFAOYSA-N 1 0 304.444 3.063 10 10 DGCERO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000230392455 1202597962 /nfs/dbraw/zinc/59/79/62/1202597962.db2.gz KHYHCIIXTFGXQX-UHFFFAOYSA-N 1 0 324.396 3.068 10 10 DGCERO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000716019939 1091316270 /nfs/dbraw/zinc/31/62/70/1091316270.db2.gz FAWYEEOHLKRMMN-CQSZACIVSA-N 1 0 316.445 3.366 10 10 DGCERO CC[N@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000402753746 1094061153 /nfs/dbraw/zinc/06/11/53/1094061153.db2.gz MJKQUOOBOJWYFL-GFCCVEGCSA-N 1 0 314.223 3.156 10 10 DGCERO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179557344 432061624 /nfs/dbraw/zinc/06/16/24/432061624.db2.gz RIRMRRZNILEJGL-UHFFFAOYSA-N 1 0 324.424 3.095 10 10 DGCERO C[C@H]([NH3+])c1ccc(N2CCCSCC2)c(Br)c1 ZINC000061696406 184183268 /nfs/dbraw/zinc/18/32/68/184183268.db2.gz CWMKYHQAMCZWIB-JTQLQIEISA-N 1 0 315.280 3.412 10 10 DGCERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O ZINC000183562365 533523043 /nfs/dbraw/zinc/52/30/43/533523043.db2.gz MCALKBGYTBLMMO-GDBMZVCRSA-N 1 0 316.445 3.224 10 10 DGCERO c1cc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc2c1OCC2 ZINC000269349156 432164942 /nfs/dbraw/zinc/16/49/42/432164942.db2.gz REPIJFVYKPEESS-INIZCTEOSA-N 1 0 319.470 3.156 10 10 DGCERO C[C@H](Nc1ccnc(C2CC2)n1)c1ccc(N2CCOCC2)cc1 ZINC000110289731 431186780 /nfs/dbraw/zinc/18/67/80/431186780.db2.gz YCNZTZUTFXAQAH-AWEZNQCLSA-N 1 0 324.428 3.364 10 10 DGCERO CCOc1cccc(C[N@H+](CC)CCc2nccs2)c1O ZINC000093764531 431916793 /nfs/dbraw/zinc/91/67/93/431916793.db2.gz WJNOGHZXKMXLIR-UHFFFAOYSA-N 1 0 306.431 3.312 10 10 DGCERO CCOc1ccc(O)c(C[N@H+](C)CCc2ncc(C)s2)c1 ZINC000093807361 431917067 /nfs/dbraw/zinc/91/70/67/431917067.db2.gz YRHUWQNWBITFMZ-UHFFFAOYSA-N 1 0 306.431 3.230 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000248529697 432297826 /nfs/dbraw/zinc/29/78/26/432297826.db2.gz WZEHTVZGWQUYOY-GGBBIFEXSA-N 1 0 317.429 3.399 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C12CCOCC2 ZINC000248651022 432309786 /nfs/dbraw/zinc/30/97/86/432309786.db2.gz XBFRXRIDNGRXCA-ZTFGCOKTSA-N 1 0 319.445 3.325 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000248732954 432314628 /nfs/dbraw/zinc/31/46/28/432314628.db2.gz PBZSVVNTXDSMDX-OUENDJJVSA-N 1 0 303.402 3.009 10 10 DGCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1cc2c(cc1O)CCCC2 ZINC000251854424 432371822 /nfs/dbraw/zinc/37/18/22/432371822.db2.gz NTCZFLIMFJBCJR-IQRRUJBNSA-N 1 0 301.430 3.489 10 10 DGCERO CC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1O ZINC000192709303 432403420 /nfs/dbraw/zinc/40/34/20/432403420.db2.gz AXRBJVBLDUAIQW-QGZVFWFLSA-N 1 0 311.429 3.497 10 10 DGCERO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3cocn3)C2)cc1 ZINC000192319963 432358984 /nfs/dbraw/zinc/35/89/84/432358984.db2.gz POKMMUIOIYGXAD-GFCCVEGCSA-N 1 0 323.343 3.035 10 10 DGCERO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(F)ccc1O ZINC000186152052 432563065 /nfs/dbraw/zinc/56/30/65/432563065.db2.gz QBZIMHXJFILNKJ-QMMMGPOBSA-N 1 0 317.286 3.134 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c1 ZINC000185878026 432540843 /nfs/dbraw/zinc/54/08/43/432540843.db2.gz GIGJCYNMJHDDFG-HIFRSBDPSA-N 1 0 310.397 3.477 10 10 DGCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c(O)c1 ZINC000186293876 432579891 /nfs/dbraw/zinc/57/98/91/432579891.db2.gz KQYRFGMAHBVWCZ-KBPBESRZSA-N 1 0 314.433 3.081 10 10 DGCERO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000245613238 432850887 /nfs/dbraw/zinc/85/08/87/432850887.db2.gz OQWSDWPCDTWDQZ-ACJLOTCBSA-N 1 0 301.361 3.493 10 10 DGCERO c1cc2c(o1)CCC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000368130350 434565606 /nfs/dbraw/zinc/56/56/06/434565606.db2.gz AXCNMGIFEJITJA-UHFFFAOYSA-N 1 0 312.413 3.065 10 10 DGCERO Cc1cc([C@@H]2C[N@H+](Cc3ccccc3O)CCO2)ccc1F ZINC000179579338 534047821 /nfs/dbraw/zinc/04/78/21/534047821.db2.gz WCDQHODGHVLYFK-SFHVURJKSA-N 1 0 301.361 3.413 10 10 DGCERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185096503 524741582 /nfs/dbraw/zinc/74/15/82/524741582.db2.gz BQROGVWEIKDTRE-ZBEGNZNMSA-N 1 0 321.804 3.438 10 10 DGCERO Cc1cc(Cl)cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1O ZINC000180333727 524862981 /nfs/dbraw/zinc/86/29/81/524862981.db2.gz QGWGHXYTRWPPKZ-UHFFFAOYSA-N 1 0 324.852 3.044 10 10 DGCERO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCS1 ZINC000131301579 626622310 /nfs/dbraw/zinc/62/23/10/626622310.db2.gz AFAPCOAJPXZEQF-SECBINFHSA-N 1 0 302.237 3.092 10 10 DGCERO C[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1O ZINC000185091908 660201299 /nfs/dbraw/zinc/20/12/99/660201299.db2.gz PXQJSGZRIIMUSS-WMLDXEAASA-N 1 0 316.420 3.355 10 10 DGCERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185560021 660229924 /nfs/dbraw/zinc/22/99/24/660229924.db2.gz MZWGWLUOXWTRQT-MNOVXSKESA-N 1 0 305.397 3.163 10 10 DGCERO Oc1cc(Br)ccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000701937029 660693145 /nfs/dbraw/zinc/69/31/45/660693145.db2.gz VRORBWKOBGQBCA-VIFPVBQESA-N 1 0 306.150 3.290 10 10 DGCERO Cc1cccnc1CC[NH2+]Cc1c(O)cccc1Br ZINC000706824783 660873806 /nfs/dbraw/zinc/87/38/06/660873806.db2.gz CCBCGMGQWBYLBE-UHFFFAOYSA-N 1 0 321.218 3.190 10 10 DGCERO Oc1cccc(Br)c1C[NH2+]CC[C@H]1CC1(F)F ZINC000706880724 660879262 /nfs/dbraw/zinc/87/92/62/660879262.db2.gz IJHGMAIRABEQDN-QMMMGPOBSA-N 1 0 306.150 3.290 10 10 DGCERO CC1(C)OCC[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000706883613 660879313 /nfs/dbraw/zinc/87/93/13/660879313.db2.gz QTMBLDNYEOAYDE-JTQLQIEISA-N 1 0 314.223 3.059 10 10 DGCERO CC[N@H+](Cc1cc(Br)cc(C)c1O)[C@H]1CCOC1 ZINC000311171304 655981410 /nfs/dbraw/zinc/98/14/10/655981410.db2.gz SWVVEANKMFBYNO-ZDUSSCGKSA-N 1 0 314.223 3.074 10 10 DGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cc1C ZINC000309695236 656114635 /nfs/dbraw/zinc/11/46/35/656114635.db2.gz QDHIQGZTEWSGKV-SREVYHEPSA-N 1 0 320.433 3.174 10 10 DGCERO COc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000125086541 656266702 /nfs/dbraw/zinc/26/67/02/656266702.db2.gz HMJQXMNJHDKZDO-CHWSQXEVSA-N 1 0 307.434 3.308 10 10 DGCERO CO[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@H]1C ZINC000249247385 657041748 /nfs/dbraw/zinc/04/17/48/657041748.db2.gz XMQDNQIYDOZNPG-QMTHXVAHSA-N 1 0 314.223 3.012 10 10 DGCERO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)N(C)C(=O)OC(C)(C)C ZINC000304302445 657622159 /nfs/dbraw/zinc/62/21/59/657622159.db2.gz PERVLVUEINAPJN-CQSZACIVSA-N 1 0 321.465 3.098 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)c1 ZINC000192926348 658796874 /nfs/dbraw/zinc/79/68/74/658796874.db2.gz XBKBTUVMBKVSJN-KSSFIOAISA-N 1 0 314.429 3.354 10 10 DGCERO COc1cc(C[N@H+](C)C[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000164356149 658929747 /nfs/dbraw/zinc/92/97/47/658929747.db2.gz LDKNCHLKXMVFJD-CQSZACIVSA-N 1 0 307.434 3.309 10 10 DGCERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)cn1 ZINC000160133002 661901343 /nfs/dbraw/zinc/90/13/43/661901343.db2.gz SXJPUJQPHMQKJS-GOSISDBHSA-N 1 0 311.429 3.342 10 10 DGCERO COC(C)(C)[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000720197482 662306356 /nfs/dbraw/zinc/30/63/56/662306356.db2.gz VJCCCYFOXPNYIF-VIFPVBQESA-N 1 0 302.212 3.058 10 10 DGCERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000381844989 685160158 /nfs/dbraw/zinc/16/01/58/685160158.db2.gz YVSNKPDZIYIQGH-QWHCGFSZSA-N 1 0 320.433 3.013 10 10 DGCERO c1cn(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)cn1 ZINC000066876415 1195572023 /nfs/dbraw/zinc/57/20/23/1195572023.db2.gz XFLIUYDFSPKHGA-UHFFFAOYSA-N 1 0 305.381 3.097 10 10 DGCERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000389836460 1197710540 /nfs/dbraw/zinc/71/05/40/1197710540.db2.gz KLYJJEKEBPWQJY-KSSFIOAISA-N 1 0 314.404 3.141 10 10 DGCERO c1ccc(C2(C[NH2+]Cc3ccc4c(c3)CCO4)CCOCC2)cc1 ZINC000121892972 1200245692 /nfs/dbraw/zinc/24/56/92/1200245692.db2.gz NOIRHTSONHFSQV-UHFFFAOYSA-N 1 0 323.436 3.460 10 10 DGCERO c1csc(SCCC[NH2+]Cc2cccc3c2OCO3)n1 ZINC000124246488 1200335908 /nfs/dbraw/zinc/33/59/08/1200335908.db2.gz ZMMVHMHURYXELP-UHFFFAOYSA-N 1 0 308.428 3.144 10 10 DGCERO O=C(C(=O)c1ccc(C[n+]2ccccc2)cc1)c1ccccc1 ZINC000038636130 183005477 /nfs/dbraw/zinc/00/54/77/183005477.db2.gz ACPQYOXIAUOCQU-UHFFFAOYSA-N 1 0 302.353 3.088 10 10 DGCERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2O)C12CCOCC2 ZINC000248544583 286396408 /nfs/dbraw/zinc/39/64/08/286396408.db2.gz DPXQHJOQHMZNNR-RYQLBKOJSA-N 1 0 319.445 3.407 10 10 DGCERO CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1O ZINC000248562559 288071322 /nfs/dbraw/zinc/07/13/22/288071322.db2.gz NNRFVIFKOUESMJ-KMFMINBZSA-N 1 0 307.459 3.488 10 10 DGCERO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812626 431912048 /nfs/dbraw/zinc/91/20/48/431912048.db2.gz TUSFMOCCJJTBOZ-ZDUSSCGKSA-N 1 0 317.820 3.375 10 10 DGCERO Cc1ccc([C@@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)o1 ZINC000093864783 431918812 /nfs/dbraw/zinc/91/88/12/431918812.db2.gz VLSQQGRNVRUWJC-SFHVURJKSA-N 1 0 301.386 3.484 10 10 DGCERO Cc1ccc([C@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)o1 ZINC000093864784 431919107 /nfs/dbraw/zinc/91/91/07/431919107.db2.gz VLSQQGRNVRUWJC-GOSISDBHSA-N 1 0 301.386 3.484 10 10 DGCERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185096537 432464677 /nfs/dbraw/zinc/46/46/77/432464677.db2.gz BQROGVWEIKDTRE-MEDUHNTESA-N 1 0 321.804 3.438 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c(O)c1 ZINC000185997199 432552945 /nfs/dbraw/zinc/55/29/45/432552945.db2.gz PHTDOJKVHGIANK-KGLIPLIRSA-N 1 0 314.433 3.081 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C12CCOCC2 ZINC000185652612 432520830 /nfs/dbraw/zinc/52/08/30/432520830.db2.gz QTEZOPSZABDMLE-QZTJIDSGSA-N 1 0 319.445 3.073 10 10 DGCERO CC(=O)c1cc(F)cc(C[NH+]2CCC(OCC(C)C)CC2)c1O ZINC000267459521 518284660 /nfs/dbraw/zinc/28/46/60/518284660.db2.gz RIDACTCDFPQWOO-UHFFFAOYSA-N 1 0 323.408 3.371 10 10 DGCERO CC[C@@H]([NH2+][C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1O ZINC000156509070 522928346 /nfs/dbraw/zinc/92/83/46/522928346.db2.gz ALHIBPDEBLLHHK-UKRRQHHQSA-N 1 0 314.433 3.163 10 10 DGCERO Cc1cc(C(=O)NC2(C[NH3+])CCCC2)c(C)n1-c1ccccc1 ZINC000154290654 526263949 /nfs/dbraw/zinc/26/39/49/526263949.db2.gz BKMJIGGOAWONFL-UHFFFAOYSA-N 1 0 311.429 3.095 10 10 DGCERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(-n2cncn2)cc1 ZINC000153959467 620627471 /nfs/dbraw/zinc/62/74/71/620627471.db2.gz CNTPUJJWZPERGC-ZIAGYGMSSA-N 1 0 308.385 3.385 10 10 DGCERO CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)C[C@H]1CCCCO1 ZINC000160161320 655524296 /nfs/dbraw/zinc/52/42/96/655524296.db2.gz BGJFMZXVWXFPGN-OAHLLOKOSA-N 1 0 323.433 3.191 10 10 DGCERO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000309696838 655876064 /nfs/dbraw/zinc/87/60/64/655876064.db2.gz DSSPEYWAPNZCCC-MAUKXSAKSA-N 1 0 310.441 3.490 10 10 DGCERO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722405715 656722839 /nfs/dbraw/zinc/72/28/39/656722839.db2.gz ZXYOZJRKNQMKHN-PWSUYJOCSA-N 1 0 309.715 3.245 10 10 DGCERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc2ccccc2c1O ZINC000252803390 657635215 /nfs/dbraw/zinc/63/52/15/657635215.db2.gz BISOSPXBFPINOB-BYVOGVQKSA-N 1 0 305.443 3.353 10 10 DGCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000320739387 657802841 /nfs/dbraw/zinc/80/28/41/657802841.db2.gz SWUATHJMHMFYGZ-GXOAENINSA-N 1 0 300.446 3.192 10 10 DGCERO Oc1ccc(Br)cc1C[NH2+]CCOC1CCCC1 ZINC000227441558 659154600 /nfs/dbraw/zinc/15/46/00/659154600.db2.gz APPLGZHHRUXGBC-UHFFFAOYSA-N 1 0 314.223 3.204 10 10 DGCERO COc1ccc(O)c(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000180456170 659962898 /nfs/dbraw/zinc/96/28/98/659962898.db2.gz WDPSEMVSKDFQTF-QGZVFWFLSA-N 1 0 305.418 3.324 10 10 DGCERO CSCCCC[NH2+]Cc1cc(Br)ccc1O ZINC000076764769 661997685 /nfs/dbraw/zinc/99/76/85/661997685.db2.gz ZYSXZLSELJUAFT-UHFFFAOYSA-N 1 0 304.253 3.388 10 10 DGCERO Oc1cc2c(cc1C[NH+]1CCC([C@H]3CCCO3)CC1)CCC2 ZINC000190183310 662021789 /nfs/dbraw/zinc/02/17/89/662021789.db2.gz QTUNBWHLKULEDB-LJQANCHMSA-N 1 0 301.430 3.272 10 10 DGCERO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000381387574 685156868 /nfs/dbraw/zinc/15/68/68/685156868.db2.gz RBCTYOYQYPCEOV-STQMWFEESA-N 1 0 308.422 3.092 10 10 DGCERO Cc1cccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1O ZINC000389908781 685197952 /nfs/dbraw/zinc/19/79/52/685197952.db2.gz CVSUPHNDJRVXHN-UHFFFAOYSA-N 1 0 307.397 3.235 10 10 DGCERO c1ccc(N2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000115622038 1199756909 /nfs/dbraw/zinc/75/69/09/1199756909.db2.gz NZEHYERJUIBULI-GOSISDBHSA-N 1 0 308.425 3.380 10 10 DGCERO COc1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)cc1C ZINC000716295291 1091949646 /nfs/dbraw/zinc/94/96/46/1091949646.db2.gz XJUNUUXMCSGCEJ-IBGZPJMESA-N 1 0 310.441 3.368 10 10 DGCERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000179780542 432069952 /nfs/dbraw/zinc/06/99/52/432069952.db2.gz JGOXANQBSOWPJV-GFCCVEGCSA-N 1 0 305.809 3.457 10 10 DGCERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3ccccc3O)C2)c1 ZINC000179583498 533084198 /nfs/dbraw/zinc/08/41/98/533084198.db2.gz HJWLLIOGSFHPBH-CQSZACIVSA-N 1 0 313.397 3.399 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000185627930 286339298 /nfs/dbraw/zinc/33/92/98/286339298.db2.gz DRIIXEFLHLYROU-XKQJLSEDSA-N 1 0 315.417 3.432 10 10 DGCERO CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000246796528 432166641 /nfs/dbraw/zinc/16/66/41/432166641.db2.gz QQROXWRHXDPXKM-HOCLYGCPSA-N 1 0 315.417 3.071 10 10 DGCERO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(N(C)C)cc1 ZINC000246873865 432176087 /nfs/dbraw/zinc/17/60/87/432176087.db2.gz DCUIXZLUPVLNKX-ZCNNSNEGSA-N 1 0 310.441 3.452 10 10 DGCERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1cc(Cl)ccc1O ZINC000185465858 228393204 /nfs/dbraw/zinc/39/32/04/228393204.db2.gz RNLSVBIIMRVJFK-QXKQMHMISA-N 1 0 303.789 3.355 10 10 DGCERO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C(F)(F)F ZINC000121033192 431741487 /nfs/dbraw/zinc/74/14/87/431741487.db2.gz PPBICIYFWHCEEW-HNNXBMFYSA-N 1 0 316.367 3.032 10 10 DGCERO CCOc1cccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1O ZINC000092757910 431911680 /nfs/dbraw/zinc/91/16/80/431911680.db2.gz MHXMBHALPNZUCV-KRWDZBQOSA-N 1 0 312.413 3.477 10 10 DGCERO CN1CCc2cc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)ccc21 ZINC000125064598 431912629 /nfs/dbraw/zinc/91/26/29/431912629.db2.gz BREBYLDEFLCOJU-QGZVFWFLSA-N 1 0 300.446 3.260 10 10 DGCERO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccccc2O)c(OC)c1 ZINC000183430014 432292663 /nfs/dbraw/zinc/29/26/63/432292663.db2.gz OHRUQOPOZUFYIG-LBPRGKRZSA-N 1 0 317.385 3.269 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000192709530 432403318 /nfs/dbraw/zinc/40/33/18/432403318.db2.gz VVQCGVVEYKMRTB-OAHLLOKOSA-N 1 0 311.429 3.415 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1O ZINC000185445226 432501189 /nfs/dbraw/zinc/50/11/89/432501189.db2.gz GWUJUYTWSHUPNN-BIMULSAOSA-N 1 0 314.223 3.109 10 10 DGCERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185096627 432465479 /nfs/dbraw/zinc/46/54/79/432465479.db2.gz LMPUZCKJBFFBRX-CXAGYDPISA-N 1 0 301.386 3.093 10 10 DGCERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cc(F)ccc1O ZINC000186032060 432555073 /nfs/dbraw/zinc/55/50/73/432555073.db2.gz LXAXAZKOQKXRCA-LLVKDONJSA-N 1 0 322.405 3.064 10 10 DGCERO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc2ccccc2c1O ZINC000185662841 432522032 /nfs/dbraw/zinc/52/20/32/432522032.db2.gz SIPOXWFJGGHURO-MLGOLLRUSA-N 1 0 308.385 3.323 10 10 DGCERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1O ZINC000277922976 432878865 /nfs/dbraw/zinc/87/88/65/432878865.db2.gz QCHNIMZGXFETEJ-DZGCQCFKSA-N 1 0 320.433 3.127 10 10 DGCERO c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]2CCOC2)cc1 ZINC000374472549 433199958 /nfs/dbraw/zinc/19/99/58/433199958.db2.gz QMYRATIGSGFCOT-AZUAARDMSA-N 1 0 309.409 3.489 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000180136134 534201766 /nfs/dbraw/zinc/20/17/66/534201766.db2.gz DXYRPTZRCDEUOH-INIZCTEOSA-N 1 0 315.417 3.088 10 10 DGCERO CCOc1ccc(O)c(C[NH2+]Cc2cc(F)ccc2OC)c1 ZINC000189204753 521151011 /nfs/dbraw/zinc/15/10/11/521151011.db2.gz OBFWJQNQMBOJLH-UHFFFAOYSA-N 1 0 305.349 3.228 10 10 DGCERO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000179989089 524679861 /nfs/dbraw/zinc/67/98/61/524679861.db2.gz JCCFNPVXTBMNBP-INIZCTEOSA-N 1 0 311.429 3.338 10 10 DGCERO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c1O ZINC000130657644 525957581 /nfs/dbraw/zinc/95/75/81/525957581.db2.gz FHLVTSATJNTXCJ-KDOFPFPSSA-N 1 0 313.397 3.363 10 10 DGCERO Oc1ccc(Br)cc1C[NH2+][C@H]1COc2ccccc21 ZINC000105468279 526343844 /nfs/dbraw/zinc/34/38/44/526343844.db2.gz QXWDQQDJUNIPHQ-ZDUSSCGKSA-N 1 0 320.186 3.378 10 10 DGCERO O=C(C1=CC(=O)CS1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000732286314 574570992 /nfs/dbraw/zinc/57/09/92/574570992.db2.gz QPJWKHXZZZHRQS-CQSZACIVSA-N 1 0 322.474 3.182 10 10 DGCERO Cn1ccnc1C[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000742388076 574995865 /nfs/dbraw/zinc/99/58/65/574995865.db2.gz KQDBZERHMDTGIV-KRWDZBQOSA-N 1 0 307.397 3.199 10 10 DGCERO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725848617 575929883 /nfs/dbraw/zinc/92/98/83/575929883.db2.gz YZCVVWVOKPVATQ-DZGCQCFKSA-N 1 0 303.406 3.331 10 10 DGCERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000153247551 620543718 /nfs/dbraw/zinc/54/37/18/620543718.db2.gz IBHIDJAIQMAYEV-CZUORRHYSA-N 1 0 318.461 3.064 10 10 DGCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(-n2cncn2)cc1 ZINC000153959281 620627320 /nfs/dbraw/zinc/62/73/20/620627320.db2.gz CNTPUJJWZPERGC-KGLIPLIRSA-N 1 0 308.385 3.385 10 10 DGCERO CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(N(C)C)cc1 ZINC000124209407 622959593 /nfs/dbraw/zinc/95/95/93/622959593.db2.gz MMXOOCDTBQXDNF-LJQANCHMSA-N 1 0 314.477 3.386 10 10 DGCERO COc1ccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)cc1C ZINC000221047410 627213364 /nfs/dbraw/zinc/21/33/64/627213364.db2.gz CSNRBOHTCGXZKO-UHFFFAOYSA-N 1 0 322.449 3.397 10 10 DGCERO COc1cccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1O ZINC000184773348 660186083 /nfs/dbraw/zinc/18/60/83/660186083.db2.gz GKJNPOAJKGUKCB-UHFFFAOYSA-N 1 0 323.396 3.375 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+]Cc2nccn2CC(C)C)c1 ZINC000185545921 660229090 /nfs/dbraw/zinc/22/90/90/660229090.db2.gz XVNMKGLVVCCMNX-ZDUSSCGKSA-N 1 0 303.406 3.104 10 10 DGCERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185559609 660229843 /nfs/dbraw/zinc/22/98/43/660229843.db2.gz GQZXTGZTHYWXRZ-QWHCGFSZSA-N 1 0 301.434 3.333 10 10 DGCERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186227931 660350155 /nfs/dbraw/zinc/35/01/55/660350155.db2.gz PXHQUBWCUPYUCX-CYBMUJFWSA-N 1 0 301.434 3.334 10 10 DGCERO CO[C@@H](C)C[N@H+](Cc1c(O)cccc1Br)C(C)C ZINC000707142903 660887838 /nfs/dbraw/zinc/88/78/38/660887838.db2.gz NKJIPEHYZPHTHA-NSHDSACASA-N 1 0 316.239 3.400 10 10 DGCERO Oc1cc2c(cc1C[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000002630215 655728254 /nfs/dbraw/zinc/72/82/54/655728254.db2.gz VZKCLLQKALAJPA-UHFFFAOYSA-N 1 0 308.425 3.203 10 10 DGCERO Cc1cc(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1C(C)C ZINC000191435198 656169266 /nfs/dbraw/zinc/16/92/66/656169266.db2.gz UHZQXPUGRJIFJW-HNNXBMFYSA-N 1 0 317.351 3.323 10 10 DGCERO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1O)CCC2 ZINC000046477506 657388969 /nfs/dbraw/zinc/38/89/69/657388969.db2.gz ZWAMOPYAPAULQS-UHFFFAOYSA-N 1 0 312.369 3.421 10 10 DGCERO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1O ZINC000721885576 658797678 /nfs/dbraw/zinc/79/76/78/658797678.db2.gz XTVZAHWMOAKODY-VNHYZAJKSA-N 1 0 320.433 3.298 10 10 DGCERO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc2ccccc2c1O ZINC000187704744 661902642 /nfs/dbraw/zinc/90/26/42/661902642.db2.gz AMJGQNIYQBDXJY-LLVKDONJSA-N 1 0 310.353 3.088 10 10 DGCERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(C)ccc1O ZINC000246195835 662250518 /nfs/dbraw/zinc/25/05/18/662250518.db2.gz LOQUJGJCUYAUNT-IMJJTQAJSA-N 1 0 303.402 3.007 10 10 DGCERO CCN(CC)c1ccc(CN2CCC([NH+](C)C)CC2)cc1F ZINC000091670092 662312681 /nfs/dbraw/zinc/31/26/81/662312681.db2.gz PUYDUBPJQWAGEL-UHFFFAOYSA-N 1 0 307.457 3.198 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000248532651 662351918 /nfs/dbraw/zinc/35/19/18/662351918.db2.gz YPYAJTHOPDDWPY-QANKJYHBSA-N 1 0 303.446 3.473 10 10 DGCERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000381816795 685160027 /nfs/dbraw/zinc/16/00/27/685160027.db2.gz CTXOJIRFOLELQC-ZIAGYGMSSA-N 1 0 321.465 3.144 10 10 DGCERO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000397916881 1177013831 /nfs/dbraw/zinc/01/38/31/1177013831.db2.gz FBGCJEVDICZETO-UHFFFAOYSA-N 1 0 320.433 3.016 10 10 DGCERO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(OCC2CC2)n1 ZINC000067123191 1195594618 /nfs/dbraw/zinc/59/46/18/1195594618.db2.gz WSGQPQLTHJIVPO-UHFFFAOYSA-N 1 0 310.397 3.095 10 10 DGCERO c1cc(N2CCCC2)ccc1C[NH2+]CCN1CCCCCC1 ZINC000382386998 1197705272 /nfs/dbraw/zinc/70/52/72/1197705272.db2.gz OMABSFJDAMDSFY-UHFFFAOYSA-N 1 0 301.478 3.252 10 10 DGCERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000389866911 1197711851 /nfs/dbraw/zinc/71/18/51/1197711851.db2.gz MALQOJFNDZGVRW-OXJNMPFZSA-N 1 0 322.452 3.232 10 10 DGCERO CN(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000097503616 1199139692 /nfs/dbraw/zinc/13/96/92/1199139692.db2.gz PCJDONCVBISJBX-SFHVURJKSA-N 1 0 302.462 3.222 10 10 DGCERO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c1O ZINC000130658042 432028740 /nfs/dbraw/zinc/02/87/40/432028740.db2.gz FHLVTSATJNTXCJ-RDTXWAMCSA-N 1 0 313.397 3.363 10 10 DGCERO Cc1ccc(N2C(=O)[C@H](C[NH+]3CCCCC3)SC2=S)cc1 ZINC000005751479 181280925 /nfs/dbraw/zinc/28/09/25/181280925.db2.gz DHPSNKOCTJXHOT-AWEZNQCLSA-N 1 0 320.483 3.214 10 10 DGCERO C[N@@H+]1CCc2cc(O)c(O)c(Sc3ccccc3)c2CC1 ZINC000005966809 181302004 /nfs/dbraw/zinc/30/20/04/181302004.db2.gz XWXULQBTDLGTNR-UHFFFAOYSA-N 1 0 301.411 3.279 10 10 DGCERO NC(=[NH2+])c1cccc(OCCCCCOc2ccc(N)cc2)c1 ZINC000169318683 400758274 /nfs/dbraw/zinc/75/82/74/400758274.db2.gz KNSKWZRGTBIMMP-UHFFFAOYSA-N 1 0 313.401 3.181 10 10 DGCERO c1coc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000093335163 431914222 /nfs/dbraw/zinc/91/42/22/431914222.db2.gz PHBZYJHMMHWQFF-GOSISDBHSA-N 1 0 312.413 3.453 10 10 DGCERO [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000191407019 432262014 /nfs/dbraw/zinc/26/20/14/432262014.db2.gz MCAPARDTJKRNEH-GFCCVEGCSA-N 1 0 322.767 3.233 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)C12CCOCC2 ZINC000248636046 432307782 /nfs/dbraw/zinc/30/77/82/432307782.db2.gz KUIMHLMBYZODSV-KBRIMQKVSA-N 1 0 305.418 3.017 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc(Br)ccc1O ZINC000185444734 432500139 /nfs/dbraw/zinc/50/01/39/432500139.db2.gz YYJBEATWRPKHHR-BHYNMZESSA-N 1 0 314.223 3.109 10 10 DGCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c(O)c1 ZINC000185997219 432553256 /nfs/dbraw/zinc/55/32/56/432553256.db2.gz PHTDOJKVHGIANK-KBPBESRZSA-N 1 0 314.433 3.081 10 10 DGCERO Cc1cnn(CC[NH2+][C@H](C)c2cc(Br)ccc2O)c1 ZINC000185842484 432538840 /nfs/dbraw/zinc/53/88/40/432538840.db2.gz VEGNUEUASPDQPL-LLVKDONJSA-N 1 0 324.222 3.010 10 10 DGCERO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000223661888 432678065 /nfs/dbraw/zinc/67/80/65/432678065.db2.gz BWPHXUJIGOQNKA-KBPBESRZSA-N 1 0 320.433 3.300 10 10 DGCERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1O ZINC000277922978 432878791 /nfs/dbraw/zinc/87/87/91/432878791.db2.gz QCHNIMZGXFETEJ-UKRRQHHQSA-N 1 0 320.433 3.127 10 10 DGCERO Oc1cccc2c1[C@@H]([NH2+]Cc1ccn(Cc3ccccc3)n1)CC2 ZINC000296246126 432888816 /nfs/dbraw/zinc/88/88/16/432888816.db2.gz BBFANFLLLDQIIZ-SFHVURJKSA-N 1 0 319.408 3.414 10 10 DGCERO CCCN(CCC)c1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000158630746 521649844 /nfs/dbraw/zinc/64/98/44/521649844.db2.gz WCUNRPRUCUPTQD-UHFFFAOYSA-N 1 0 317.477 3.010 10 10 DGCERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185682415 522518453 /nfs/dbraw/zinc/51/84/53/522518453.db2.gz KOHVBNFGTMFSKR-GXTWGEPZSA-N 1 0 300.406 3.040 10 10 DGCERO CCOC(=O)C1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000033299949 618622678 /nfs/dbraw/zinc/62/26/78/618622678.db2.gz XCAHGFLJDLRKJQ-WAYWQWQTSA-N 1 0 316.445 3.041 10 10 DGCERO CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000132091013 626699143 /nfs/dbraw/zinc/69/91/43/626699143.db2.gz GELOWOKUIHKCPX-PMACEKPBSA-N 1 0 312.457 3.397 10 10 DGCERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185559664 660229932 /nfs/dbraw/zinc/22/99/32/660229932.db2.gz GQZXTGZTHYWXRZ-OLZOCXBDSA-N 1 0 301.434 3.333 10 10 DGCERO C[C@]1(C[NH2+]Cc2ccc(Br)cc2O)CC1(F)F ZINC000701016581 660649969 /nfs/dbraw/zinc/64/99/69/660649969.db2.gz WMCCITLRKNBTRU-LLVKDONJSA-N 1 0 306.150 3.290 10 10 DGCERO Oc1ccc(Br)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000701938897 660693153 /nfs/dbraw/zinc/69/31/53/660693153.db2.gz ZOWWRXOLPUOZML-VIFPVBQESA-N 1 0 306.150 3.290 10 10 DGCERO CC1(C)OCC[C@@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000706883616 660879370 /nfs/dbraw/zinc/87/93/70/660879370.db2.gz QTMBLDNYEOAYDE-SNVBAGLBSA-N 1 0 314.223 3.059 10 10 DGCERO Cc1cnc(CC[N@@H+](C)Cc2cc3c(cc2O)CCC3)s1 ZINC000178922764 657301709 /nfs/dbraw/zinc/30/17/09/657301709.db2.gz QTHMDNXKWCZNNG-UHFFFAOYSA-N 1 0 302.443 3.320 10 10 DGCERO CC1([NH2+]Cc2ccc(Br)cc2O)CC(F)(F)C1 ZINC000720967996 658271126 /nfs/dbraw/zinc/27/11/26/658271126.db2.gz URYWPNRREPENEX-UHFFFAOYSA-N 1 0 306.150 3.432 10 10 DGCERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(-n2ccnn2)cc1 ZINC000183630307 660128014 /nfs/dbraw/zinc/12/80/14/660128014.db2.gz YIDBSYFPQVULLE-ZIAGYGMSSA-N 1 0 308.385 3.385 10 10 DGCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(-n2ccnn2)cc1 ZINC000183630270 660128077 /nfs/dbraw/zinc/12/80/77/660128077.db2.gz YIDBSYFPQVULLE-KGLIPLIRSA-N 1 0 308.385 3.385 10 10 DGCERO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](C)[C@@H](OC)C3)c2c1 ZINC000190188595 662022137 /nfs/dbraw/zinc/02/21/37/662022137.db2.gz XICPVVLCPDKUTQ-DJJJIMSYSA-N 1 0 315.413 3.411 10 10 DGCERO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000381387573 685156605 /nfs/dbraw/zinc/15/66/05/685156605.db2.gz RBCTYOYQYPCEOV-QWHCGFSZSA-N 1 0 308.422 3.092 10 10 DGCERO Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000381346092 685156618 /nfs/dbraw/zinc/15/66/18/685156618.db2.gz GQAAMONNQUKTLI-QWHCGFSZSA-N 1 0 308.422 3.092 10 10 DGCERO CC1(C)SC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000390610836 685203221 /nfs/dbraw/zinc/20/32/21/685203221.db2.gz FBSOZVJLNFSNFC-NSHDSACASA-N 1 0 302.237 3.138 10 10 DGCERO CC[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)NC(=O)OC(C)(C)C ZINC000227716911 1176524206 /nfs/dbraw/zinc/52/42/06/1176524206.db2.gz AUQPHDLDDLZTBZ-OAHLLOKOSA-N 1 0 322.449 3.397 10 10 DGCERO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1C ZINC000066876473 1195572354 /nfs/dbraw/zinc/57/23/54/1195572354.db2.gz VOTHUHCBDYMRQB-UHFFFAOYSA-N 1 0 307.397 3.479 10 10 DGCERO c1cc(N2CCCCC2)ccc1C[NH2+]CCN1CCCCC1 ZINC000075757481 1196417457 /nfs/dbraw/zinc/41/74/57/1196417457.db2.gz XPXZWXIYHYNNHH-UHFFFAOYSA-N 1 0 301.478 3.252 10 10 DGCERO c1ccc(N2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000115622036 1199757201 /nfs/dbraw/zinc/75/72/01/1199757201.db2.gz NZEHYERJUIBULI-SFHVURJKSA-N 1 0 308.425 3.380 10 10 DGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)cc1C ZINC000222029595 1202568123 /nfs/dbraw/zinc/56/81/23/1202568123.db2.gz BLMZCUVPZOWHPE-UHFFFAOYSA-N 1 0 322.449 3.350 10 10 DGCERO CCOc1cccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000092785655 185340979 /nfs/dbraw/zinc/34/09/79/185340979.db2.gz GWEPRZZJEHDDSB-KRWDZBQOSA-N 1 0 318.461 3.241 10 10 DGCERO CCOc1ccc(O)c(C[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000092223348 193176289 /nfs/dbraw/zinc/17/62/89/193176289.db2.gz XCWBOIGHAWQSSY-UHFFFAOYSA-N 1 0 307.434 3.428 10 10 DGCERO COc1cccc([C@H]2C[N@H+](Cc3cc(C)ccc3O)CCO2)c1 ZINC000093080264 193200779 /nfs/dbraw/zinc/20/07/79/193200779.db2.gz PGHRJELOFSJKNX-LJQANCHMSA-N 1 0 313.397 3.283 10 10 DGCERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cn(-c2ccccc2)nn1 ZINC000179896115 533535813 /nfs/dbraw/zinc/53/58/13/533535813.db2.gz QXANHHVYILGFLB-ZIAGYGMSSA-N 1 0 308.385 3.385 10 10 DGCERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1O ZINC000183556345 533545830 /nfs/dbraw/zinc/54/58/30/533545830.db2.gz QWGZGUNXKAUYGF-OLZOCXBDSA-N 1 0 317.820 3.370 10 10 DGCERO CCOP(=O)(OCC)C([N+]#N)P(=O)(OCC)OCC ZINC000038296331 400394738 /nfs/dbraw/zinc/39/47/38/400394738.db2.gz GWFURKNOQXNBFT-UHFFFAOYSA-N 1 0 314.215 3.104 10 10 DGCERO CN1CCc2cc(C[NH2+][C@H]3CCOc4c(F)cccc43)ccc21 ZINC000191126168 432223173 /nfs/dbraw/zinc/22/31/73/432223173.db2.gz XBCXISKJROXPTN-KRWDZBQOSA-N 1 0 312.388 3.431 10 10 DGCERO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccccc3O)CC2)nc1 ZINC000183528540 228374512 /nfs/dbraw/zinc/37/45/12/228374512.db2.gz VOBKKRCEOYLQKN-OAHLLOKOSA-N 1 0 311.429 3.415 10 10 DGCERO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c(O)c1 ZINC000185879365 228399169 /nfs/dbraw/zinc/39/91/69/228399169.db2.gz HDKPTELCBCGYIV-BBRMVZONSA-N 1 0 310.397 3.477 10 10 DGCERO COc1cccc(C[N@@H+]2CCc3cccc(OC)c3CC2)c1O ZINC000194571785 274145960 /nfs/dbraw/zinc/14/59/60/274145960.db2.gz HVVRMTGNDOURQV-UHFFFAOYSA-N 1 0 313.397 3.010 10 10 DGCERO Cc1ccc(O)c(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000120925152 431738374 /nfs/dbraw/zinc/73/83/74/431738374.db2.gz DJEXPLQVHDLAQF-UHFFFAOYSA-N 1 0 322.412 3.123 10 10 DGCERO CCCOc1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(O)c1 ZINC000121256027 431760943 /nfs/dbraw/zinc/76/09/43/431760943.db2.gz WBEWWEBLCBSPSW-AWEZNQCLSA-N 1 0 315.417 3.284 10 10 DGCERO CC[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccccc1O ZINC000192841074 432419910 /nfs/dbraw/zinc/41/99/10/432419910.db2.gz QJRBQYGFTKSJEO-INIZCTEOSA-N 1 0 304.434 3.080 10 10 DGCERO COc1cc(Cl)cc(CN2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000184681942 432421342 /nfs/dbraw/zinc/42/13/42/432421342.db2.gz OHEMTXLBEIOJFJ-UONOGXRCSA-N 1 0 311.809 3.198 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c(O)c1 ZINC000186151881 432563868 /nfs/dbraw/zinc/56/38/68/432563868.db2.gz WFPOFDUPWMHSRX-SNVBAGLBSA-N 1 0 313.323 3.304 10 10 DGCERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C12CCOCC2 ZINC000186311189 432581807 /nfs/dbraw/zinc/58/18/07/432581807.db2.gz ZFEVIATYQLSQJC-JCURWCKSSA-N 1 0 323.408 3.156 10 10 DGCERO COc1cc(Cl)cc(C[NH2+][C@H]2COc3ccccc32)c1O ZINC000228673764 432719479 /nfs/dbraw/zinc/71/94/79/432719479.db2.gz MDUJETJSTBLPIH-ZDUSSCGKSA-N 1 0 305.761 3.278 10 10 DGCERO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000188872075 432750685 /nfs/dbraw/zinc/75/06/85/432750685.db2.gz SMSYRPPJRJGMJN-CQSZACIVSA-N 1 0 313.353 3.043 10 10 DGCERO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1O ZINC000245755908 432861532 /nfs/dbraw/zinc/86/15/32/432861532.db2.gz OPUDFSHLPALCOE-WBMJQRKESA-N 1 0 319.426 3.424 10 10 DGCERO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279689903 432990419 /nfs/dbraw/zinc/99/04/19/432990419.db2.gz HZIQADVMSCEKMD-ZFWWWQNUSA-N 1 0 320.433 3.127 10 10 DGCERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000193022188 519458996 /nfs/dbraw/zinc/45/89/96/519458996.db2.gz XGWJNYYZOWKAMZ-HNNXBMFYSA-N 1 0 317.477 3.050 10 10 DGCERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](CC)c1ccccc1O ZINC000156315187 522518364 /nfs/dbraw/zinc/51/83/64/522518364.db2.gz LPFBPTBDZMYJOP-ZIAGYGMSSA-N 1 0 300.406 3.122 10 10 DGCERO CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccccc1O ZINC000155647929 522583577 /nfs/dbraw/zinc/58/35/77/522583577.db2.gz CWLJGQPKWIWQPC-AWEZNQCLSA-N 1 0 308.422 3.348 10 10 DGCERO CC[C@H]([NH2+][C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1O ZINC000156509206 522760518 /nfs/dbraw/zinc/76/05/18/522760518.db2.gz ALHIBPDEBLLHHK-ZFWWWQNUSA-N 1 0 314.433 3.163 10 10 DGCERO CCn1cc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)cn1 ZINC000180038208 523357805 /nfs/dbraw/zinc/35/78/05/523357805.db2.gz CSGWROVCOJAAMB-UHFFFAOYSA-N 1 0 303.381 3.127 10 10 DGCERO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3ccccc3O)C2=O)c(C)c1 ZINC000188942599 524276216 /nfs/dbraw/zinc/27/62/16/524276216.db2.gz CWDPYCWIYVIJNF-KRWDZBQOSA-N 1 0 324.424 3.213 10 10 DGCERO Cc1cc(C(=O)NC2CCC([NH3+])CC2)c(C)n1-c1ccccc1 ZINC000237715243 526264022 /nfs/dbraw/zinc/26/40/22/526264022.db2.gz XMCRHRHTPXPLPQ-UHFFFAOYSA-N 1 0 311.429 3.094 10 10 DGCERO CN(CC1CC1)C(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000732204583 574568031 /nfs/dbraw/zinc/56/80/31/574568031.db2.gz OCKSQEHCONVKDU-UHFFFAOYSA-N 1 0 316.445 3.005 10 10 DGCERO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCCSC1 ZINC000131182199 625961054 /nfs/dbraw/zinc/96/10/54/625961054.db2.gz GSYWZESMJJELTB-OAHLLOKOSA-N 1 0 308.516 3.225 10 10 DGCERO CC(C)c1noc(CCC[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000185319656 660215303 /nfs/dbraw/zinc/21/53/03/660215303.db2.gz UTPJOAJONDFBKM-LLVKDONJSA-N 1 0 307.369 3.321 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1 ZINC000185319151 660215363 /nfs/dbraw/zinc/21/53/63/660215363.db2.gz TXRFEKACPZJTFB-CYBMUJFWSA-N 1 0 303.406 3.490 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000185647034 660235301 /nfs/dbraw/zinc/23/53/01/660235301.db2.gz FMDOMILBJWJXHE-LLVKDONJSA-N 1 0 323.339 3.409 10 10 DGCERO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1ccccc1O ZINC000186122889 660267858 /nfs/dbraw/zinc/26/78/58/660267858.db2.gz UCRLXNSAVQWMSJ-DOTOQJQBSA-N 1 0 301.386 3.175 10 10 DGCERO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000724667065 655806988 /nfs/dbraw/zinc/80/69/88/655806988.db2.gz BNKUIQPJOSACDW-IWIIMEHWSA-N 1 0 314.223 3.200 10 10 DGCERO CCC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1O ZINC000170779320 659236376 /nfs/dbraw/zinc/23/63/76/659236376.db2.gz OGPUAAIMBSVXNE-UHFFFAOYSA-N 1 0 316.376 3.382 10 10 DGCERO C[C@@H]([NH2+]CCCn1ccnn1)c1ccc(N2CCCCC2)cc1 ZINC000184267245 660161178 /nfs/dbraw/zinc/16/11/78/660161178.db2.gz PMSNXMGLTORXLS-MRXNPFEDSA-N 1 0 313.449 3.009 10 10 DGCERO C[C@H]1[C@H]([NH2+]Cc2ccccc2O)CCCN1C(=O)OC(C)(C)C ZINC000189520883 661981171 /nfs/dbraw/zinc/98/11/71/661981171.db2.gz VKDSPHKENGNHLX-DZGCQCFKSA-N 1 0 320.433 3.270 10 10 DGCERO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000246924442 662291145 /nfs/dbraw/zinc/29/11/45/662291145.db2.gz GPCXQAFOTYANPT-UZLBHIALSA-N 1 0 312.457 3.397 10 10 DGCERO COC(C)(C)[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000720288237 662306708 /nfs/dbraw/zinc/30/67/08/662306708.db2.gz MSQPFDFDKUGUMZ-SECBINFHSA-N 1 0 302.212 3.058 10 10 DGCERO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000092813008 662336265 /nfs/dbraw/zinc/33/62/65/662336265.db2.gz KBWYBVGQGSWFGY-GOSISDBHSA-N 1 0 324.472 3.390 10 10 DGCERO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@H]1CCCCO1 ZINC000379179826 685147141 /nfs/dbraw/zinc/14/71/41/685147141.db2.gz ORCBFHPGFAWNDQ-IINYFYTJSA-N 1 0 314.223 3.202 10 10 DGCERO CS[C@H]1CC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000390573305 685203557 /nfs/dbraw/zinc/20/35/57/685203557.db2.gz VNHRNJRKUQTWCP-JQWIXIFHSA-N 1 0 302.237 3.138 10 10 DGCERO Cc1cc(O)c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1C ZINC000092812592 185343455 /nfs/dbraw/zinc/34/34/55/185343455.db2.gz KDHAAWHBBKUDPN-MRXNPFEDSA-N 1 0 311.429 3.338 10 10 DGCERO CCOc1cccc(C[NH+]2CCC(OCC(C)C)CC2)c1O ZINC000092223145 193176862 /nfs/dbraw/zinc/17/68/62/193176862.db2.gz LVAGOCQPXQXNNR-UHFFFAOYSA-N 1 0 307.434 3.428 10 10 DGCERO CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1O ZINC000093438150 193251188 /nfs/dbraw/zinc/25/11/88/193251188.db2.gz MFNPHWNGVCIOFN-HNNXBMFYSA-N 1 0 301.390 3.241 10 10 DGCERO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(F)ccc1O ZINC000176982484 533338913 /nfs/dbraw/zinc/33/89/13/533338913.db2.gz BJQVCJKIUKJZCP-CYBMUJFWSA-N 1 0 315.392 3.246 10 10 DGCERO Cc1cc(O)c(C[NH+]2CCC(Cc3nccn3C)CC2)cc1C ZINC000121772294 431804570 /nfs/dbraw/zinc/80/45/70/431804570.db2.gz MGJZPYBOFCSMMQ-UHFFFAOYSA-N 1 0 313.445 3.197 10 10 DGCERO CCCOc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1 ZINC000093506768 431915818 /nfs/dbraw/zinc/91/58/18/431915818.db2.gz FGWCLHMTEHWYBV-QAPCUYQASA-N 1 0 305.418 3.182 10 10 DGCERO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3cocn3)C2)cc1 ZINC000192319958 432359234 /nfs/dbraw/zinc/35/92/34/432359234.db2.gz POKMMUIOIYGXAD-LBPRGKRZSA-N 1 0 323.343 3.035 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000186151609 432563976 /nfs/dbraw/zinc/56/39/76/432563976.db2.gz KDZQQAKPWPXDDP-SNVBAGLBSA-N 1 0 313.323 3.304 10 10 DGCERO COc1cccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1O ZINC000245755901 432861462 /nfs/dbraw/zinc/86/14/62/432861462.db2.gz OPUDFSHLPALCOE-LRDDRELGSA-N 1 0 319.426 3.424 10 10 DGCERO CC(=O)c1cc(F)cc(C[N@H+](C)CCc2ncc(C)s2)c1O ZINC000157642401 518282560 /nfs/dbraw/zinc/28/25/60/518282560.db2.gz GZVIRIRYNQRBTJ-UHFFFAOYSA-N 1 0 322.405 3.173 10 10 DGCERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](CC)c1ccccc1O ZINC000156315055 522514201 /nfs/dbraw/zinc/51/42/01/522514201.db2.gz LPFBPTBDZMYJOP-KGLIPLIRSA-N 1 0 300.406 3.122 10 10 DGCERO CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cc(Br)ccc1O ZINC000251136224 522758840 /nfs/dbraw/zinc/75/88/40/522758840.db2.gz ZJHCCHLRKOXBPW-XDTLVQLUSA-N 1 0 314.223 3.373 10 10 DGCERO CC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1O ZINC000186325507 522760034 /nfs/dbraw/zinc/76/00/34/522760034.db2.gz WKMKCIISZPDSAJ-ZFWWWQNUSA-N 1 0 314.433 3.163 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c1 ZINC000180021822 524745873 /nfs/dbraw/zinc/74/58/73/524745873.db2.gz FIMHPVSPNJSPDG-KUHUBIRLSA-N 1 0 313.397 3.363 10 10 DGCERO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000180265892 525362437 /nfs/dbraw/zinc/36/24/37/525362437.db2.gz QLLIWXYHIGNYNB-QFBILLFUSA-N 1 0 318.461 3.133 10 10 DGCERO Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000182462494 527445307 /nfs/dbraw/zinc/44/53/07/527445307.db2.gz WOJOKIGCVVVCPE-LLVKDONJSA-N 1 0 307.825 3.285 10 10 DGCERO CC[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)ccc1O ZINC000109543680 529203228 /nfs/dbraw/zinc/20/32/28/529203228.db2.gz RCWFITFJZSMEBD-DGCLKSJQSA-N 1 0 314.223 3.374 10 10 DGCERO CN(C)C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000021014260 619058085 /nfs/dbraw/zinc/05/80/85/619058085.db2.gz OCJHOLGBKDVWCJ-MRXNPFEDSA-N 1 0 304.821 3.438 10 10 DGCERO CCC[N@H+](Cc1nc(-c2ccoc2)no1)Cc1ccccc1O ZINC000105609012 630848176 /nfs/dbraw/zinc/84/81/76/630848176.db2.gz JUXOCGYMYXBURS-UHFFFAOYSA-N 1 0 313.357 3.447 10 10 DGCERO Oc1cc2c(cc1C[N@@H+]1Cc3ccccc3C3(CC3)C1)OCO2 ZINC000185148523 660203994 /nfs/dbraw/zinc/20/39/94/660203994.db2.gz APMQGUSQGGPKTE-UHFFFAOYSA-N 1 0 309.365 3.168 10 10 DGCERO Oc1cccc(Br)c1C[NH2+]CC[C@@H]1CCSC1 ZINC000704819777 660820572 /nfs/dbraw/zinc/82/05/72/660820572.db2.gz BSPJAZKCKLMPGN-SNVBAGLBSA-N 1 0 316.264 3.388 10 10 DGCERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706883728 660879360 /nfs/dbraw/zinc/87/93/60/660879360.db2.gz XRYHMOYNVUXNOQ-LFNDISMMSA-N 1 0 314.223 3.056 10 10 DGCERO CC[N@H+](Cc1c(O)cccc1Br)[C@H]1CCCOC1 ZINC000707131032 660889716 /nfs/dbraw/zinc/88/97/16/660889716.db2.gz FXIJKPKIBHJGDP-NSHDSACASA-N 1 0 314.223 3.156 10 10 DGCERO COc1cc(Cl)cc(C[N@@H+](C[C@@H](C)OC)C(C)C)c1O ZINC000708277949 660919524 /nfs/dbraw/zinc/91/95/24/660919524.db2.gz JINDQVTXWQURSU-LLVKDONJSA-N 1 0 301.814 3.300 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)c1 ZINC000185319167 656125744 /nfs/dbraw/zinc/12/57/44/656125744.db2.gz TXRFEKACPZJTFB-ZDUSSCGKSA-N 1 0 303.406 3.490 10 10 DGCERO CC[C@@H]([NH2+]C1CC(OC)C1)c1cc(Br)ccc1O ZINC000229578419 659270067 /nfs/dbraw/zinc/27/00/67/659270067.db2.gz HBDRIIQTLLBZAZ-GCZXYKMCSA-N 1 0 314.223 3.373 10 10 DGCERO COc1cccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)c1O ZINC000190391638 662030871 /nfs/dbraw/zinc/03/08/71/662030871.db2.gz VPXVXCMIZPDOIH-UHFFFAOYSA-N 1 0 301.386 3.056 10 10 DGCERO COCC(C)(C)CC[NH2+]Cc1c(O)cccc1Br ZINC000718740469 662261111 /nfs/dbraw/zinc/26/11/11/662261111.db2.gz LXBDFUNWCQFONB-UHFFFAOYSA-N 1 0 316.239 3.307 10 10 DGCERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000248520247 662351616 /nfs/dbraw/zinc/35/16/16/662351616.db2.gz QWBGWQBSOZDKOI-FDQGKXFDSA-N 1 0 303.446 3.473 10 10 DGCERO C[C@H](CC[NH2+][C@@H](C)c1ccc2ccccc2c1O)[S@](C)=O ZINC000168847434 685102061 /nfs/dbraw/zinc/10/20/61/685102061.db2.gz BISOSPXBFPINOB-RRMDADRESA-N 1 0 305.443 3.353 10 10 DGCERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000381799817 685160165 /nfs/dbraw/zinc/16/01/65/685160165.db2.gz UDFFUBYBVZUDEW-OBJOEFQTSA-N 1 0 320.433 3.271 10 10 DGCERO CC[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Br)ccc1O ZINC000393969223 685220387 /nfs/dbraw/zinc/22/03/87/685220387.db2.gz WXLHKLHKNSCJGP-BXKDBHETSA-N 1 0 316.239 3.355 10 10 DGCERO Cc1ccc(C[NH2+]Cc2cc(Br)ccc2O)nc1 ZINC000400944941 1093928806 /nfs/dbraw/zinc/92/88/06/1093928806.db2.gz RKRFUSCUEDDJAO-UHFFFAOYSA-N 1 0 307.191 3.148 10 10 DGCERO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000092813336 185343505 /nfs/dbraw/zinc/34/35/05/185343505.db2.gz CVFBACDGYRGMLB-INIZCTEOSA-N 1 0 311.429 3.338 10 10 DGCERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccccc3O)CC2)nc1 ZINC000183528525 228373706 /nfs/dbraw/zinc/37/37/06/228373706.db2.gz VOBKKRCEOYLQKN-HNNXBMFYSA-N 1 0 311.429 3.415 10 10 DGCERO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c(O)c1 ZINC000185879343 228399537 /nfs/dbraw/zinc/39/95/37/228399537.db2.gz HDKPTELCBCGYIV-CJNGLKHVSA-N 1 0 310.397 3.477 10 10 DGCERO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccccc1O)C1CC1 ZINC000109844837 431177494 /nfs/dbraw/zinc/17/74/94/431177494.db2.gz LADKBICXMKZTOI-SFHVURJKSA-N 1 0 320.433 3.175 10 10 DGCERO COc1ccc(C[NH2+]CCc2ccccc2)cc1Cn1ccnc1 ZINC000009740734 431442794 /nfs/dbraw/zinc/44/27/94/431442794.db2.gz UIQWLXJMCRLAHB-UHFFFAOYSA-N 1 0 321.424 3.272 10 10 DGCERO Oc1cc2c(cc1C[N@H+]1CC=C(c3cccs3)CC1)OCO2 ZINC000117865055 431580803 /nfs/dbraw/zinc/58/08/03/431580803.db2.gz WWRGIDIREGNQEB-UHFFFAOYSA-N 1 0 315.394 3.472 10 10 DGCERO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000092094918 431908043 /nfs/dbraw/zinc/90/80/43/431908043.db2.gz QTAKTAXVDKZVAH-RHSMWYFYSA-N 1 0 319.351 3.287 10 10 DGCERO CCOc1ccc(O)c(C[N@H+](CC)CCc2nccs2)c1 ZINC000093764676 431916812 /nfs/dbraw/zinc/91/68/12/431916812.db2.gz YLBBRHCMGKVLRD-UHFFFAOYSA-N 1 0 306.431 3.312 10 10 DGCERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000183454517 432294951 /nfs/dbraw/zinc/29/49/51/432294951.db2.gz MEMRDQCVXLRMMR-STQMWFEESA-N 1 0 319.426 3.208 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000248529702 432298222 /nfs/dbraw/zinc/29/82/22/432298222.db2.gz WZEHTVZGWQUYOY-WPPQDWHVSA-N 1 0 317.429 3.399 10 10 DGCERO C[C@H]([NH2+]Cc1ccnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152177646 432311599 /nfs/dbraw/zinc/31/15/99/432311599.db2.gz XOVFQALJZQMSBG-AWEZNQCLSA-N 1 0 316.424 3.400 10 10 DGCERO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cc2c(cc1O)CCCC2 ZINC000185663035 432521881 /nfs/dbraw/zinc/52/18/81/432521881.db2.gz TVAMKFBXOPUEOC-LRDDRELGSA-N 1 0 312.417 3.048 10 10 DGCERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(Br)cc2O)c1 ZINC000185843709 432537610 /nfs/dbraw/zinc/53/76/10/432537610.db2.gz WPWCIINUVFQKBM-LLVKDONJSA-N 1 0 324.222 3.010 10 10 DGCERO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187111968 432646559 /nfs/dbraw/zinc/64/65/59/432646559.db2.gz CNEVGKZBPZPWND-GUDVDZBRSA-N 1 0 300.446 3.334 10 10 DGCERO Oc1cccc2c1[C@H]([NH2+]Cc1ccn(Cc3ccccc3)n1)CC2 ZINC000296246118 432888838 /nfs/dbraw/zinc/88/88/38/432888838.db2.gz BBFANFLLLDQIIZ-GOSISDBHSA-N 1 0 319.408 3.414 10 10 DGCERO CC(=O)c1cc(Cl)cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1O ZINC000291148210 433225947 /nfs/dbraw/zinc/22/59/47/433225947.db2.gz ADNULUHCWHTVNM-CQSZACIVSA-N 1 0 311.809 3.248 10 10 DGCERO [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309766007 434095154 /nfs/dbraw/zinc/09/51/54/434095154.db2.gz ZLCYSLZJSOCRIN-INIZCTEOSA-N 1 0 314.404 3.143 10 10 DGCERO c1cc(C[NH2+]C[C@H]2CCN2C2CCCCC2)cc2c1OCC2 ZINC000527751121 435013796 /nfs/dbraw/zinc/01/37/96/435013796.db2.gz HJVAWGOFLYIULC-GOSISDBHSA-N 1 0 300.446 3.118 10 10 DGCERO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)C(=O)OC(C)(C)C ZINC000296389717 341718119 /nfs/dbraw/zinc/71/81/19/341718119.db2.gz JTGDBHMPXGFQHI-JSGCOSHPSA-N 1 0 320.433 3.225 10 10 DGCERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1O ZINC000183556294 533988882 /nfs/dbraw/zinc/98/88/82/533988882.db2.gz QWGZGUNXKAUYGF-QWHCGFSZSA-N 1 0 317.820 3.370 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000185627966 534205325 /nfs/dbraw/zinc/20/53/25/534205325.db2.gz DRIIXEFLHLYROU-JQFCIGGWSA-N 1 0 315.417 3.432 10 10 DGCERO Cc1cc(Cl)cc(C[NH+]2CCC(Cn3cccn3)CC2)c1O ZINC000180125884 524860526 /nfs/dbraw/zinc/86/05/26/524860526.db2.gz NMMZKGALTVIXBY-UHFFFAOYSA-N 1 0 319.836 3.463 10 10 DGCERO Cc1cc(Cl)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000180684102 524865268 /nfs/dbraw/zinc/86/52/68/524865268.db2.gz SBARPEQMOQUNOB-KBPBESRZSA-N 1 0 313.850 3.060 10 10 DGCERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(F)ccc1O ZINC000186152071 525548039 /nfs/dbraw/zinc/54/80/39/525548039.db2.gz QBZIMHXJFILNKJ-MRVPVSSYSA-N 1 0 317.286 3.134 10 10 DGCERO O=C(C1=CC(=O)CS1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000732286312 574570944 /nfs/dbraw/zinc/57/09/44/574570944.db2.gz QPJWKHXZZZHRQS-AWEZNQCLSA-N 1 0 322.474 3.182 10 10 DGCERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000151648778 620468260 /nfs/dbraw/zinc/46/82/60/620468260.db2.gz QJLOOLYWSBCSHZ-CQSZACIVSA-N 1 0 305.418 3.209 10 10 DGCERO CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(N(C)C)cc1 ZINC000124209178 622959534 /nfs/dbraw/zinc/95/95/34/622959534.db2.gz MMXOOCDTBQXDNF-IBGZPJMESA-N 1 0 314.477 3.386 10 10 DGCERO C[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1cc(F)ccc1O ZINC000185091876 660201277 /nfs/dbraw/zinc/20/12/77/660201277.db2.gz PXQJSGZRIIMUSS-YOEHRIQHSA-N 1 0 316.420 3.355 10 10 DGCERO Oc1cc(Br)ccc1C[NH2+]CC[C@H]1CCSC1 ZINC000704869982 660823247 /nfs/dbraw/zinc/82/32/47/660823247.db2.gz XFNRALBZQOIYAJ-JTQLQIEISA-N 1 0 316.264 3.388 10 10 DGCERO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1CC[NH3+] ZINC000723883753 655728489 /nfs/dbraw/zinc/72/84/89/655728489.db2.gz QIPUMBKSYATIOM-NXEZZACHSA-N 1 0 303.233 3.116 10 10 DGCERO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)nc2Br)c1 ZINC000720682512 658082239 /nfs/dbraw/zinc/08/22/39/658082239.db2.gz YQFQXXBWPQKHQJ-SNVBAGLBSA-N 1 0 324.222 3.047 10 10 DGCERO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000192483989 658433990 /nfs/dbraw/zinc/43/39/90/658433990.db2.gz VVOQZXPHVBJRKI-LBPRGKRZSA-N 1 0 303.324 3.484 10 10 DGCERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(-n2ccnn2)cc1 ZINC000183630254 660128012 /nfs/dbraw/zinc/12/80/12/660128012.db2.gz YIDBSYFPQVULLE-KBPBESRZSA-N 1 0 308.385 3.385 10 10 DGCERO CO[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@@H]1C ZINC000188296119 661924913 /nfs/dbraw/zinc/92/49/13/661924913.db2.gz XMQDNQIYDOZNPG-HZMBPMFUSA-N 1 0 314.223 3.012 10 10 DGCERO CO[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@H]1C ZINC000188296092 661924997 /nfs/dbraw/zinc/92/49/97/661924997.db2.gz XMQDNQIYDOZNPG-YGRLFVJLSA-N 1 0 314.223 3.012 10 10 DGCERO CC1(C)CC[C@@H](C[NH2+]Cc2cc(Br)ccc2O)O1 ZINC000189723785 661988910 /nfs/dbraw/zinc/98/89/10/661988910.db2.gz YTSUXPNQYOBHRG-LBPRGKRZSA-N 1 0 314.223 3.202 10 10 DGCERO CCCN(CCC)c1ccc(C[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000093013612 662342937 /nfs/dbraw/zinc/34/29/37/662342937.db2.gz NQYDTMVOYSGTKN-UHFFFAOYSA-N 1 0 318.461 3.262 10 10 DGCERO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000381387571 685156573 /nfs/dbraw/zinc/15/65/73/685156573.db2.gz RBCTYOYQYPCEOV-OLZOCXBDSA-N 1 0 308.422 3.092 10 10 DGCERO C[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCN(Cc2ccccc2)C1 ZINC000406003281 1199601692 /nfs/dbraw/zinc/60/16/92/1199601692.db2.gz QMZLXEYZQRHIMK-NRFANRHFSA-N 1 0 322.452 3.376 10 10 DGCERO c1csc(SCCC[NH2+]Cc2ccc3c(c2)OCCO3)n1 ZINC000124259025 1200336864 /nfs/dbraw/zinc/33/68/64/1200336864.db2.gz VNFNSDPIRLSZOC-UHFFFAOYSA-N 1 0 322.455 3.186 10 10 DGCERO c1ccc(CCOCCC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000236722630 1202622230 /nfs/dbraw/zinc/62/22/30/1202622230.db2.gz JVLYDVLHUHXTGR-UHFFFAOYSA-N 1 0 311.425 3.361 10 10 DGCERO C[C@@H]([NH2+]Cc1sncc1Br)c1ccccc1O ZINC000722818267 1103591028 /nfs/dbraw/zinc/59/10/28/1103591028.db2.gz IWQYDSANQZFTGI-MRVPVSSYSA-N 1 0 313.220 3.462 10 10 DGCERO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000092813335 185343699 /nfs/dbraw/zinc/34/36/99/185343699.db2.gz CVFBACDGYRGMLB-MRXNPFEDSA-N 1 0 311.429 3.338 10 10 DGCERO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000246246056 432111918 /nfs/dbraw/zinc/11/19/18/432111918.db2.gz SBZWRSJTBCZDBE-KBRIMQKVSA-N 1 0 306.425 3.185 10 10 DGCERO c1cn2c(n1)CC[C@@H](C[NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000275394125 130315544 /nfs/dbraw/zinc/31/55/44/130315544.db2.gz CCVFKPNLXGSYJZ-SFHVURJKSA-N 1 0 324.472 3.226 10 10 DGCERO C[C@H]([NH3+])c1ccc(N2CCOC(C)(C)C2)c(Br)c1 ZINC000061695726 134803339 /nfs/dbraw/zinc/80/33/39/134803339.db2.gz ZPYLGMDYRKSCSQ-JTQLQIEISA-N 1 0 313.239 3.084 10 10 DGCERO Oc1cccc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000383928162 685169198 /nfs/dbraw/zinc/16/91/98/685169198.db2.gz IZCKKCITFYEZHG-UHFFFAOYSA-N 1 0 308.175 3.150 10 10 DGCERO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179554836 228352283 /nfs/dbraw/zinc/35/22/83/228352283.db2.gz LRLIWSYRPOJTEO-MRXNPFEDSA-N 1 0 310.397 3.243 10 10 DGCERO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)c1 ZINC000185878048 228399667 /nfs/dbraw/zinc/39/96/67/228399667.db2.gz GIGJCYNMJHDDFG-ZFWWWQNUSA-N 1 0 310.397 3.477 10 10 DGCERO CCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000014992333 431601153 /nfs/dbraw/zinc/60/11/53/431601153.db2.gz JBKHZUHPLBWAHJ-WBVHZDCISA-N 1 0 316.445 3.005 10 10 DGCERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000092813965 431912233 /nfs/dbraw/zinc/91/22/33/431912233.db2.gz YHXIPQLQGVWUON-LBPRGKRZSA-N 1 0 321.808 3.192 10 10 DGCERO CCOc1cccc(C[N@H+](C)CCc2ncc(C)s2)c1O ZINC000093807212 431917867 /nfs/dbraw/zinc/91/78/67/431917867.db2.gz MFVSLOFFOWEQCL-UHFFFAOYSA-N 1 0 306.431 3.230 10 10 DGCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000183454534 432294922 /nfs/dbraw/zinc/29/49/22/432294922.db2.gz MEMRDQCVXLRMMR-OLZOCXBDSA-N 1 0 319.426 3.208 10 10 DGCERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185683119 432524656 /nfs/dbraw/zinc/52/46/56/432524656.db2.gz JJXUDPUNCLIKDT-OCCSQVGLSA-N 1 0 300.406 3.040 10 10 DGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000245872249 432867342 /nfs/dbraw/zinc/86/73/42/432867342.db2.gz RWRJCFTWODZKIQ-WMLDXEAASA-N 1 0 317.385 3.082 10 10 DGCERO c1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]2CCOC2)cc1 ZINC000374472550 433201248 /nfs/dbraw/zinc/20/12/48/433201248.db2.gz QMYRATIGSGFCOT-ICSRJNTNSA-N 1 0 309.409 3.489 10 10 DGCERO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1O ZINC000180778432 524410328 /nfs/dbraw/zinc/41/03/28/524410328.db2.gz ZJQSQWJGNPWLRA-RHSMWYFYSA-N 1 0 319.351 3.287 10 10 DGCERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000188945418 524955498 /nfs/dbraw/zinc/95/54/98/524955498.db2.gz SMSYRPPJRJGMJN-AWEZNQCLSA-N 1 0 313.353 3.043 10 10 DGCERO C[C@H]([NH2+]CC1(C)OCCCO1)c1cc2c(cc1O)CCCC2 ZINC000190652122 525315951 /nfs/dbraw/zinc/31/59/51/525315951.db2.gz HKMBEESPJXCPFZ-ZDUSSCGKSA-N 1 0 305.418 3.075 10 10 DGCERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc2ccccc2c1O ZINC000190670557 525316112 /nfs/dbraw/zinc/31/61/12/525316112.db2.gz SUUXWZFRQZEPTI-ZDUSSCGKSA-N 1 0 301.386 3.349 10 10 DGCERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000185000297 525523142 /nfs/dbraw/zinc/52/31/42/525523142.db2.gz PSZNNPRFKWKULJ-BHDSKKPTSA-N 1 0 314.223 3.373 10 10 DGCERO CC(C)[NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000053010788 527734624 /nfs/dbraw/zinc/73/46/24/527734624.db2.gz AWNKCKDHJFDAEK-LBPRGKRZSA-N 1 0 302.340 3.410 10 10 DGCERO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000154738054 620708822 /nfs/dbraw/zinc/70/88/22/620708822.db2.gz MBTYMELQLIBJQP-OAHLLOKOSA-N 1 0 312.461 3.455 10 10 DGCERO CO[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@@H]1C ZINC000221275364 618621198 /nfs/dbraw/zinc/62/11/98/618621198.db2.gz XMQDNQIYDOZNPG-IINYFYTJSA-N 1 0 314.223 3.012 10 10 DGCERO CC(C)c1noc(CCC[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000185319635 660215313 /nfs/dbraw/zinc/21/53/13/660215313.db2.gz UTPJOAJONDFBKM-NSHDSACASA-N 1 0 307.369 3.321 10 10 DGCERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185559001 660229606 /nfs/dbraw/zinc/22/96/06/660229606.db2.gz HXIITBYNPZESHZ-QWHCGFSZSA-N 1 0 301.434 3.333 10 10 DGCERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706883731 660879394 /nfs/dbraw/zinc/87/93/94/660879394.db2.gz XRYHMOYNVUXNOQ-RZGXBDKHSA-N 1 0 314.223 3.056 10 10 DGCERO CC[N@H+](CCc1nccs1)Cc1cc(OC)c(C)cc1O ZINC000160484354 655643979 /nfs/dbraw/zinc/64/39/79/655643979.db2.gz DKDLAEMQIJARNC-UHFFFAOYSA-N 1 0 306.431 3.230 10 10 DGCERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000188063232 656143238 /nfs/dbraw/zinc/14/32/38/656143238.db2.gz HWUKKUZMZRWJSL-INIZCTEOSA-N 1 0 302.462 3.490 10 10 DGCERO C[C@H](CC[NH2+][C@@H](C)c1ccc2ccccc2c1O)[S@](C)=O ZINC000252803389 657635104 /nfs/dbraw/zinc/63/51/04/657635104.db2.gz BISOSPXBFPINOB-BHVCSQLQSA-N 1 0 305.443 3.353 10 10 DGCERO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000192484000 658434099 /nfs/dbraw/zinc/43/40/99/658434099.db2.gz VVOQZXPHVBJRKI-GFCCVEGCSA-N 1 0 303.324 3.484 10 10 DGCERO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1O ZINC000164388044 658930371 /nfs/dbraw/zinc/93/03/71/658930371.db2.gz WLKXEKLPCDEYHL-MRXNPFEDSA-N 1 0 315.417 3.051 10 10 DGCERO COc1cc(C[NH+]2CCC([C@@H](C)O)CC2)c(O)c(C(C)(C)C)c1 ZINC000164372709 658930398 /nfs/dbraw/zinc/93/03/98/658930398.db2.gz QXRVHAGVDJBDDC-CYBMUJFWSA-N 1 0 321.461 3.291 10 10 DGCERO CC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)c1ccccc1O ZINC000157032533 658982952 /nfs/dbraw/zinc/98/29/52/658982952.db2.gz HVNKWUUOHSYYCF-QGZVFWFLSA-N 1 0 301.434 3.416 10 10 DGCERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000183483750 660117983 /nfs/dbraw/zinc/11/79/83/660117983.db2.gz MCMMFZFKSRXRHM-AWEZNQCLSA-N 1 0 314.477 3.386 10 10 DGCERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(N2CCCCC2)cc1 ZINC000188063251 661913679 /nfs/dbraw/zinc/91/36/79/661913679.db2.gz HWUKKUZMZRWJSL-MRXNPFEDSA-N 1 0 302.462 3.490 10 10 DGCERO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000189991837 662000374 /nfs/dbraw/zinc/00/03/74/662000374.db2.gz JJVJCXZFGHKROJ-IBGZPJMESA-N 1 0 316.445 3.204 10 10 DGCERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(C)ccc1O ZINC000246195825 662250206 /nfs/dbraw/zinc/25/02/06/662250206.db2.gz LOQUJGJCUYAUNT-BPUTZDHNSA-N 1 0 303.402 3.007 10 10 DGCERO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCCCO1 ZINC000379179828 685147214 /nfs/dbraw/zinc/14/72/14/685147214.db2.gz ORCBFHPGFAWNDQ-YGRLFVJLSA-N 1 0 314.223 3.202 10 10 DGCERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000381844983 685160092 /nfs/dbraw/zinc/16/00/92/685160092.db2.gz YVSNKPDZIYIQGH-CHWSQXEVSA-N 1 0 320.433 3.013 10 10 DGCERO C[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCN(Cc2ccccc2)C1 ZINC000406003284 1199601091 /nfs/dbraw/zinc/60/10/91/1199601091.db2.gz QMZLXEYZQRHIMK-OAQYLSRUSA-N 1 0 322.452 3.376 10 10 DGCERO CN(C)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000193454887 1201272238 /nfs/dbraw/zinc/27/22/38/1201272238.db2.gz IILUOZSUKOVYMW-QZTJIDSGSA-N 1 0 320.502 3.239 10 10 DGCERO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cc(Br)ccc1O ZINC000134243337 432074413 /nfs/dbraw/zinc/07/44/13/432074413.db2.gz ZJHCCHLRKOXBPW-ICCXJUOJSA-N 1 0 314.223 3.373 10 10 DGCERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cc(Br)ccc1O ZINC000134243290 432075187 /nfs/dbraw/zinc/07/51/87/432075187.db2.gz ZJHCCHLRKOXBPW-JIMOISOXSA-N 1 0 314.223 3.373 10 10 DGCERO CC[C@@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000062460731 184238160 /nfs/dbraw/zinc/23/81/60/184238160.db2.gz XZDSCWMKXOMQOQ-SFHVURJKSA-N 1 0 309.413 3.044 10 10 DGCERO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(N(C)C)cc1 ZINC000246873840 432175710 /nfs/dbraw/zinc/17/57/10/432175710.db2.gz DCUIXZLUPVLNKX-XUVXKRRUSA-N 1 0 310.441 3.452 10 10 DGCERO Cc1cccc(N2CCC([NH2+][C@H](C)c3ccccc3O)CC2)n1 ZINC000183518016 228374385 /nfs/dbraw/zinc/37/43/85/228374385.db2.gz JXHDCIQBRTVJHA-OAHLLOKOSA-N 1 0 311.429 3.415 10 10 DGCERO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])c(C)n1-c1ccccc1 ZINC000237685150 274678005 /nfs/dbraw/zinc/67/80/05/274678005.db2.gz ODTGJWBZZPTVKX-KRWDZBQOSA-N 1 0 311.429 3.048 10 10 DGCERO CCC[N@@H+]1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000000011665 431112409 /nfs/dbraw/zinc/11/24/09/431112409.db2.gz HLRBSTGXOFUEHW-OAHLLOKOSA-N 1 0 311.381 3.336 10 10 DGCERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000092813966 431911736 /nfs/dbraw/zinc/91/17/36/431911736.db2.gz YHXIPQLQGVWUON-GFCCVEGCSA-N 1 0 321.808 3.192 10 10 DGCERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185096558 432465980 /nfs/dbraw/zinc/46/59/80/432465980.db2.gz BQROGVWEIKDTRE-BDJLRTHQSA-N 1 0 321.804 3.438 10 10 DGCERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000186096315 432558000 /nfs/dbraw/zinc/55/80/00/432558000.db2.gz BTJOHTFTLXWKGC-NOZJJQNGSA-N 1 0 306.797 3.131 10 10 DGCERO Oc1cc2c(cc1CN1CCCC[C@@H]1c1nccs1)OCO2 ZINC000195303308 432616778 /nfs/dbraw/zinc/61/67/78/432616778.db2.gz OYAHZRCRSDBDRD-GFCCVEGCSA-N 1 0 318.398 3.305 10 10 DGCERO CC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1O ZINC000186325493 432583373 /nfs/dbraw/zinc/58/33/73/432583373.db2.gz WKMKCIISZPDSAJ-UKRRQHHQSA-N 1 0 314.433 3.163 10 10 DGCERO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245644061 432853325 /nfs/dbraw/zinc/85/33/25/432853325.db2.gz FFESWHLGOBAHRX-GUYCJALGSA-N 1 0 320.864 3.494 10 10 DGCERO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)C(=O)OC(C)(C)C ZINC000296389720 432902905 /nfs/dbraw/zinc/90/29/05/432902905.db2.gz JTGDBHMPXGFQHI-OCCSQVGLSA-N 1 0 320.433 3.225 10 10 DGCERO C[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279689871 432990564 /nfs/dbraw/zinc/99/05/64/432990564.db2.gz HZIQADVMSCEKMD-HIFRSBDPSA-N 1 0 320.433 3.127 10 10 DGCERO c1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H]2CCOC2)cc1 ZINC000374472551 433198930 /nfs/dbraw/zinc/19/89/30/433198930.db2.gz QMYRATIGSGFCOT-QUCCMNQESA-N 1 0 309.409 3.489 10 10 DGCERO Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1O ZINC000282962243 433644410 /nfs/dbraw/zinc/64/44/10/433644410.db2.gz IAEUOIKRVZAEFY-ZDUSSCGKSA-N 1 0 308.422 3.046 10 10 DGCERO CCO[C@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C12CCOCC2 ZINC000185652591 517720462 /nfs/dbraw/zinc/72/04/62/517720462.db2.gz QTEZOPSZABDMLE-ROUUACIJSA-N 1 0 319.445 3.073 10 10 DGCERO Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000179989074 524682099 /nfs/dbraw/zinc/68/20/99/524682099.db2.gz JCCFNPVXTBMNBP-MRXNPFEDSA-N 1 0 311.429 3.338 10 10 DGCERO Cc1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000180684124 524865877 /nfs/dbraw/zinc/86/58/77/524865877.db2.gz SBARPEQMOQUNOB-UONOGXRCSA-N 1 0 313.850 3.060 10 10 DGCERO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000130658254 525957212 /nfs/dbraw/zinc/95/72/12/525957212.db2.gz FHLVTSATJNTXCJ-KBXCAEBGSA-N 1 0 313.397 3.363 10 10 DGCERO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124177292 622946208 /nfs/dbraw/zinc/94/62/08/622946208.db2.gz BWRBOGIIZKHNQD-CQSZACIVSA-N 1 0 314.477 3.386 10 10 DGCERO Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCO2)c1O ZINC000124529366 623153330 /nfs/dbraw/zinc/15/33/30/623153330.db2.gz INIQGHUXKBZFBA-CYBMUJFWSA-N 1 0 314.223 3.074 10 10 DGCERO Cc1cc(O)c(C[N@H+](C)CC(=O)NC(C)(C)C)cc1C(C)C ZINC000008147859 632534286 /nfs/dbraw/zinc/53/42/86/632534286.db2.gz ZEEIWQPFGBNYHK-UHFFFAOYSA-N 1 0 306.450 3.171 10 10 DGCERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185098142 660201874 /nfs/dbraw/zinc/20/18/74/660201874.db2.gz XTLAVOMWXHCVOX-DYVFJYSZSA-N 1 0 301.386 3.093 10 10 DGCERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185560057 660229916 /nfs/dbraw/zinc/22/99/16/660229916.db2.gz MZWGWLUOXWTRQT-GHMZBOCLSA-N 1 0 305.397 3.163 10 10 DGCERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185559625 660229920 /nfs/dbraw/zinc/22/99/20/660229920.db2.gz GQZXTGZTHYWXRZ-STQMWFEESA-N 1 0 301.434 3.333 10 10 DGCERO COc1ccc(O)c([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c1 ZINC000186227711 660350349 /nfs/dbraw/zinc/35/03/49/660350349.db2.gz XUOAHXYZYBYCHK-LBPRGKRZSA-N 1 0 317.433 3.035 10 10 DGCERO CCCN(CCC)c1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000176756153 655801106 /nfs/dbraw/zinc/80/11/06/655801106.db2.gz MQRLTBVJYGSGIS-GOSISDBHSA-N 1 0 322.518 3.271 10 10 DGCERO CC[C@H]([NH2+]Cc1cn(C)nc1Br)c1ccccc1O ZINC000720682582 658082025 /nfs/dbraw/zinc/08/20/25/658082025.db2.gz ZSHKEPFDSALQKX-LBPRGKRZSA-N 1 0 324.222 3.129 10 10 DGCERO Cc1cc(C)n2c(C[N@@H+](C)Cc3ccc(N(C)C)cc3)cnc2n1 ZINC000156470531 658924869 /nfs/dbraw/zinc/92/48/69/658924869.db2.gz RFYAKPFRGKZMKF-UHFFFAOYSA-N 1 0 323.444 3.044 10 10 DGCERO CC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1ccccc1O ZINC000157032396 658983024 /nfs/dbraw/zinc/98/30/24/658983024.db2.gz HVNKWUUOHSYYCF-KRWDZBQOSA-N 1 0 301.434 3.416 10 10 DGCERO COc1cc(C[NH+]2CCC(OCC(C)C)CC2)c(O)cc1C ZINC000159909962 661897702 /nfs/dbraw/zinc/89/77/02/661897702.db2.gz HZSPBOMWQRQFPV-UHFFFAOYSA-N 1 0 307.434 3.346 10 10 DGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccncc2OC)c1 ZINC000188796939 661945346 /nfs/dbraw/zinc/94/53/46/661945346.db2.gz LKNXYFWFLUCPQV-VXGBXAGGSA-N 1 0 302.374 3.216 10 10 DGCERO COCC(C)(C)CC[NH2+]Cc1ccc(Br)cc1O ZINC000718771625 662261234 /nfs/dbraw/zinc/26/12/34/662261234.db2.gz DETALDSAXPCCGN-UHFFFAOYSA-N 1 0 316.239 3.307 10 10 DGCERO Cc1ccc(O)c(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000092755015 662335216 /nfs/dbraw/zinc/33/52/16/662335216.db2.gz BDHATKXMBYXFCT-HNNXBMFYSA-N 1 0 318.461 3.073 10 10 DGCERO CCOc1ccc(O)c(C[N@H+](C)CCc2ccccc2OC)c1 ZINC000093105311 662344234 /nfs/dbraw/zinc/34/42/34/662344234.db2.gz AISSEVMOQQHPEN-UHFFFAOYSA-N 1 0 315.413 3.474 10 10 DGCERO Cc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000381346094 685156731 /nfs/dbraw/zinc/15/67/31/685156731.db2.gz GQAAMONNQUKTLI-STQMWFEESA-N 1 0 308.422 3.092 10 10 DGCERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000382012328 685161695 /nfs/dbraw/zinc/16/16/95/685161695.db2.gz UZZSRWMQINBWKR-DZGCQCFKSA-N 1 0 320.433 3.175 10 10 DGCERO C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccccc1O ZINC000389948057 685198455 /nfs/dbraw/zinc/19/84/55/685198455.db2.gz VMVFGGDVEMYYIG-HNNXBMFYSA-N 1 0 307.397 3.488 10 10 DGCERO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000236674192 1202618777 /nfs/dbraw/zinc/61/87/77/1202618777.db2.gz CXWUMAODVHQFJF-GOSISDBHSA-N 1 0 313.489 3.251 10 10 DGCERO CN(C)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000248725934 1203810134 /nfs/dbraw/zinc/81/01/34/1203810134.db2.gz IILUOZSUKOVYMW-ZWKOTPCHSA-N 1 0 320.502 3.239 10 10 DGCERO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CN(C(=O)OC(C)(C)C)C1 ZINC000401671429 1093963371 /nfs/dbraw/zinc/96/33/71/1093963371.db2.gz LOQKQCSSQVFEDY-DZGCQCFKSA-N 1 0 320.433 3.127 10 10 DGCERO CCN(CC)c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000069709655 1099198356 /nfs/dbraw/zinc/19/83/56/1099198356.db2.gz ITHLDLBPAROMJK-UHFFFAOYSA-N 1 0 318.461 3.308 10 10 DGCERO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1C ZINC000092812593 185343428 /nfs/dbraw/zinc/34/34/28/185343428.db2.gz KDHAAWHBBKUDPN-INIZCTEOSA-N 1 0 311.429 3.338 10 10 DGCERO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000246246054 432112039 /nfs/dbraw/zinc/11/20/39/432112039.db2.gz SBZWRSJTBCZDBE-IAOVAPTHSA-N 1 0 306.425 3.185 10 10 DGCERO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1c1ccsc1 ZINC000190297517 432141406 /nfs/dbraw/zinc/14/14/06/432141406.db2.gz ZIYRSQKEXUAGDY-ZFWWWQNUSA-N 1 0 323.845 3.315 10 10 DGCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cn(-c2ccccc2)nn1 ZINC000179896108 533506518 /nfs/dbraw/zinc/50/65/18/533506518.db2.gz QXANHHVYILGFLB-UONOGXRCSA-N 1 0 308.385 3.385 10 10 DGCERO Cc1cc([C@H]2C[N@H+](Cc3ccccc3O)CCO2)ccc1F ZINC000179579349 228352260 /nfs/dbraw/zinc/35/22/60/228352260.db2.gz WCDQHODGHVLYFK-GOSISDBHSA-N 1 0 301.361 3.413 10 10 DGCERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000122830000 431846328 /nfs/dbraw/zinc/84/63/28/431846328.db2.gz UISHYSQPEFANLC-SFHVURJKSA-N 1 0 312.461 3.349 10 10 DGCERO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccnn2C)cc1F ZINC000192848086 432419963 /nfs/dbraw/zinc/41/99/63/432419963.db2.gz HYUFJKUVVXNPDU-CYBMUJFWSA-N 1 0 304.413 3.256 10 10 DGCERO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc2c(cc1O)CCCC2 ZINC000185663014 432522107 /nfs/dbraw/zinc/52/21/07/432522107.db2.gz TVAMKFBXOPUEOC-MLGOLLRUSA-N 1 0 312.417 3.048 10 10 DGCERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185683083 432524868 /nfs/dbraw/zinc/52/48/68/432524868.db2.gz JJXUDPUNCLIKDT-JSGCOSHPSA-N 1 0 300.406 3.040 10 10 DGCERO Cc1ccc([C@H](C)[NH2+]CC[C@H]2C(=O)Nc3ccccc32)c(O)c1 ZINC000185879325 432541916 /nfs/dbraw/zinc/54/19/16/432541916.db2.gz HDKPTELCBCGYIV-XJKSGUPXSA-N 1 0 310.397 3.477 10 10 DGCERO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(F)ccc1O ZINC000176982470 533812458 /nfs/dbraw/zinc/81/24/58/533812458.db2.gz BJQVCJKIUKJZCP-ZDUSSCGKSA-N 1 0 315.392 3.246 10 10 DGCERO [O-]c1c(Cl)cccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000158026772 526327308 /nfs/dbraw/zinc/32/73/08/526327308.db2.gz ICJBQPATEMTOAF-UHFFFAOYSA-N 1 0 308.853 3.353 10 10 DGCERO CC[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(N(C)C)cc1 ZINC000154764807 620716327 /nfs/dbraw/zinc/71/63/27/620716327.db2.gz VZWDUGRYDCAMRU-SFHVURJKSA-N 1 0 312.461 3.455 10 10 DGCERO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000154989731 620752701 /nfs/dbraw/zinc/75/27/01/620752701.db2.gz BUPMQMQYNUHVIM-QGZVFWFLSA-N 1 0 317.477 3.010 10 10 DGCERO Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCCO2)c1O ZINC000124529154 623153756 /nfs/dbraw/zinc/15/37/56/623153756.db2.gz INIQGHUXKBZFBA-ZDUSSCGKSA-N 1 0 314.223 3.074 10 10 DGCERO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCS1 ZINC000131301771 626622605 /nfs/dbraw/zinc/62/26/05/626622605.db2.gz AFAPCOAJPXZEQF-VIFPVBQESA-N 1 0 302.237 3.092 10 10 DGCERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185559056 660229534 /nfs/dbraw/zinc/22/95/34/660229534.db2.gz HXIITBYNPZESHZ-OLZOCXBDSA-N 1 0 301.434 3.333 10 10 DGCERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186227946 660350233 /nfs/dbraw/zinc/35/02/33/660350233.db2.gz PXHQUBWCUPYUCX-ZDUSSCGKSA-N 1 0 301.434 3.334 10 10 DGCERO C[C@@H](C[NH2+]Cc1c(O)cccc1Br)c1ccccn1 ZINC000706808407 660873587 /nfs/dbraw/zinc/87/35/87/660873587.db2.gz LVZKITONXLJCIO-NSHDSACASA-N 1 0 321.218 3.443 10 10 DGCERO CO[C@H]1C[N@H+](Cc2c(O)cccc2Br)CC[C@@H]1C ZINC000707138782 660888256 /nfs/dbraw/zinc/88/82/56/660888256.db2.gz HFJUOGGRWKFGKI-HZMBPMFUSA-N 1 0 314.223 3.012 10 10 DGCERO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000707144984 660890106 /nfs/dbraw/zinc/89/01/06/660890106.db2.gz CKUQNERLBZUWCO-MNOVXSKESA-N 1 0 314.223 3.154 10 10 DGCERO CCc1cccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)c1O ZINC000709408178 660928108 /nfs/dbraw/zinc/92/81/08/660928108.db2.gz VQUXTXYNESXPTD-UHFFFAOYSA-N 1 0 322.449 3.348 10 10 DGCERO COc1ccccc1CC[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000160152075 655523701 /nfs/dbraw/zinc/52/37/01/655523701.db2.gz SDCOCAWMKSGWQF-UHFFFAOYSA-N 1 0 315.413 3.392 10 10 DGCERO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179573516 655909031 /nfs/dbraw/zinc/90/90/31/655909031.db2.gz POGRQBPAQMYRAO-UHFFFAOYSA-N 1 0 316.445 3.053 10 10 DGCERO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1ccns1 ZINC000715965288 661216369 /nfs/dbraw/zinc/21/63/69/661216369.db2.gz JDDMRKLRPOZXLH-MRVPVSSYSA-N 1 0 313.220 3.462 10 10 DGCERO Cc1ccc(O)c(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000309962799 656114561 /nfs/dbraw/zinc/11/45/61/656114561.db2.gz BFVHRSMVAKAERC-ZDUSSCGKSA-N 1 0 308.422 3.046 10 10 DGCERO COc1ccc(O)c(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000180456150 659962823 /nfs/dbraw/zinc/96/28/23/659962823.db2.gz WDPSEMVSKDFQTF-KRWDZBQOSA-N 1 0 305.418 3.324 10 10 DGCERO CCOc1cccc(C[NH2+][C@H](C)c2ccncc2OC)c1O ZINC000189565083 661982261 /nfs/dbraw/zinc/98/22/61/661982261.db2.gz DPOCCEGMCLRIDV-GFCCVEGCSA-N 1 0 302.374 3.045 10 10 DGCERO COc1cc(Cl)cc(C[NH2+]Cc2cnc(Cl)s2)c1O ZINC000718205545 662249843 /nfs/dbraw/zinc/24/98/43/662249843.db2.gz UDZOJHSVEJCVLS-UHFFFAOYSA-N 1 0 319.213 3.454 10 10 DGCERO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC)cc1 ZINC000092099535 662327433 /nfs/dbraw/zinc/32/74/33/662327433.db2.gz JMKJVOVQTFLEOX-SFHVURJKSA-N 1 0 317.477 3.023 10 10 DGCERO Cc1nc(C)c(C[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000385543623 685173437 /nfs/dbraw/zinc/17/34/37/685173437.db2.gz VCFSUKICYOSYNN-UHFFFAOYSA-N 1 0 311.179 3.049 10 10 DGCERO c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)CO2 ZINC000328137762 1176638095 /nfs/dbraw/zinc/63/80/95/1176638095.db2.gz PSODMHCUKNMAHC-SFHVURJKSA-N 1 0 308.425 3.380 10 10 DGCERO CN(C)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000193454873 1201272380 /nfs/dbraw/zinc/27/23/80/1201272380.db2.gz IILUOZSUKOVYMW-MSOLQXFVSA-N 1 0 320.502 3.239 10 10 DGCERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000236842213 1202629140 /nfs/dbraw/zinc/62/91/40/1202629140.db2.gz STOASSZRWYVEHF-IBGZPJMESA-N 1 0 301.478 3.251 10 10 DGCERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000237682085 1202689438 /nfs/dbraw/zinc/68/94/38/1202689438.db2.gz MALQOJFNDZGVRW-JXFKEZNVSA-N 1 0 322.452 3.232 10 10 DGCERO