smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CC(=O)N1CCO[C@](C)(C(N)=O)C1)Cc1cccnc1 ZINC000072379804 191143284 /nfs/dbraw/zinc/14/32/84/191143284.db2.gz NGBRAUSMWLKCIJ-HNNXBMFYSA-N 1 2 306.366 -0.384 40 0 DBABLO C[N@@H+](CC(=O)N1CCO[C@](C)(C(N)=O)C1)Cc1cccnc1 ZINC000072379804 191143285 /nfs/dbraw/zinc/14/32/85/191143285.db2.gz NGBRAUSMWLKCIJ-HNNXBMFYSA-N 1 2 306.366 -0.384 40 0 DBABLO Nc1[nH+]cnc2c1c(Cl)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000004830569 181158699 /nfs/dbraw/zinc/15/86/99/181158699.db2.gz WUHZZVWKGCJQHU-TXRROPDSSA-N 1 2 300.702 -0.722 40 0 DBABLO [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000001589278 374241628 /nfs/dbraw/zinc/24/16/28/374241628.db2.gz HTOOKGDPMXSJSY-STQMWFEESA-N 1 2 318.333 -0.203 40 0 endogenous,in-man DBABLO CN(C)C(=O)CN1Cc2ccnn2CC[C@@H]1C[NH+]1CCOCC1 ZINC000585098377 374740984 /nfs/dbraw/zinc/74/09/84/374740984.db2.gz XHPXPMZLYXXQDS-CQSZACIVSA-N 1 2 321.425 -0.122 40 0 DBABLO Cc1ccccc1C(=O)N1CC[NH+]([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585288268 374879831 /nfs/dbraw/zinc/87/98/31/374879831.db2.gz SNQDDTCRBVDTKK-OAGGEKHMSA-N 1 2 320.389 -0.127 40 0 DBABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC2(C[C@H](CO)NC2=O)CC1 ZINC000585291958 374882762 /nfs/dbraw/zinc/88/27/62/374882762.db2.gz UDOOSEAFGWITBX-YYRQZUAOSA-N 1 2 304.350 -0.088 40 0 DBABLO CN(C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096058936 374845961 /nfs/dbraw/zinc/84/59/61/374845961.db2.gz RDSZMYRDPDQNMA-UHFFFAOYSA-N 1 2 318.385 -0.201 40 0 DBABLO CN(C)C(=O)NCc1nnc2n1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096058936 374845967 /nfs/dbraw/zinc/84/59/67/374845967.db2.gz RDSZMYRDPDQNMA-UHFFFAOYSA-N 1 2 318.385 -0.201 40 0 DBABLO CCCn1cc(C[N@@H+]2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cn1 ZINC000257251743 377241285 /nfs/dbraw/zinc/24/12/85/377241285.db2.gz JSAVAQVHLQJIOS-VXGBXAGGSA-N 1 2 302.400 -0.613 40 0 DBABLO CCCn1cc(C[N@H+]2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cn1 ZINC000257251743 377241291 /nfs/dbraw/zinc/24/12/91/377241291.db2.gz JSAVAQVHLQJIOS-VXGBXAGGSA-N 1 2 302.400 -0.613 40 0 DBABLO Cc1n[nH]cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC000257257569 377241820 /nfs/dbraw/zinc/24/18/20/377241820.db2.gz KQEOHNZKCAYRCT-CHWSQXEVSA-N 1 2 302.338 -0.517 40 0 DBABLO Cc1n[nH]cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC000257257569 377241827 /nfs/dbraw/zinc/24/18/27/377241827.db2.gz KQEOHNZKCAYRCT-CHWSQXEVSA-N 1 2 302.338 -0.517 40 0 DBABLO OC[C@@H]1O[C@@H]([NH2+]Cc2ccc(Cl)cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000066087549 184387961 /nfs/dbraw/zinc/38/79/61/184387961.db2.gz CZCGQTDVGUBQKO-ZOLYEBIHSA-N 1 2 303.742 -0.771 40 0 DBABLO OC[C@@H]1O[C@@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000066087555 184388247 /nfs/dbraw/zinc/38/82/47/184388247.db2.gz CZCGQTDVGUBQKO-FPYNETTCSA-N 1 2 303.742 -0.771 40 0 DBABLO CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C1=O ZINC000225380928 382500129 /nfs/dbraw/zinc/50/01/29/382500129.db2.gz CRXHRKPHCZCWFK-KGLIPLIRSA-N 1 2 315.373 -0.325 40 0 biogenic,in-vitro DBABLO C[N@H+](CCO)CCOC(=S)N[C@]1(C)CCS(=O)(=O)C1 ZINC000040168423 257129373 /nfs/dbraw/zinc/12/93/73/257129373.db2.gz RKTMFAICMMYEOW-LLVKDONJSA-N 1 2 310.441 -0.621 40 0 DBABLO C[N@H+](CCO)CCOC(=S)NC[C@H]1CCS(=O)(=O)C1 ZINC000040168432 257129649 /nfs/dbraw/zinc/12/96/49/257129649.db2.gz STPGTNOZWFVFFJ-SNVBAGLBSA-N 1 2 310.441 -0.764 40 0 DBABLO CCC(CC)C(=O)N[C@H]1CO[C@@H](C[NH+]2CCOCC2)[C@@H]1O ZINC000514288350 257216288 /nfs/dbraw/zinc/21/62/88/257216288.db2.gz APRMXLZZUKAMLR-MELADBBJSA-N 1 2 300.399 -0.001 40 0 biogenic,in-vitro DBABLO O=C([O-])c1cccc(C[N@H+]2C[C@H]3C[C@@H](O)CN3C3(C[NH2+]C3)C2)c1 ZINC000514290295 257215314 /nfs/dbraw/zinc/21/53/14/257215314.db2.gz WLXYQMNRJOEITM-HUUCEWRRSA-N 1 2 317.389 -0.022 40 0 biogenic,in-vitro DBABLO O=C([O-])c1cccc(C[N@@H+]2C[C@H]3C[C@@H](O)CN3C3(C[NH2+]C3)C2)c1 ZINC000514290295 257215316 /nfs/dbraw/zinc/21/53/16/257215316.db2.gz WLXYQMNRJOEITM-HUUCEWRRSA-N 1 2 317.389 -0.022 40 0 biogenic,in-vitro DBABLO Cc1nc(C)n(CCC(=O)N2CC[N@H+](C)[C@H](C(=O)N(C)C)C2)n1 ZINC000257291483 392897738 /nfs/dbraw/zinc/89/77/38/392897738.db2.gz QHCXMYKYWYJJDN-ZDUSSCGKSA-N 1 2 322.413 -0.484 40 0 DBABLO Cc1nc(C)n(CCC(=O)N2CC[N@@H+](C)[C@H](C(=O)N(C)C)C2)n1 ZINC000257291483 392897745 /nfs/dbraw/zinc/89/77/45/392897745.db2.gz QHCXMYKYWYJJDN-ZDUSSCGKSA-N 1 2 322.413 -0.484 40 0 DBABLO CC(=O)N1CC[N@H+](Cc2nccn2C)C[C@@H](C(=O)N(C)C)C1 ZINC000257252548 278042036 /nfs/dbraw/zinc/04/20/36/278042036.db2.gz JVEARCLLZZPIMT-CYBMUJFWSA-N 1 2 307.398 -0.211 40 0 DBABLO CC(=O)N1CC[N@@H+](Cc2nccn2C)C[C@@H](C(=O)N(C)C)C1 ZINC000257252548 278042038 /nfs/dbraw/zinc/04/20/38/278042038.db2.gz JVEARCLLZZPIMT-CYBMUJFWSA-N 1 2 307.398 -0.211 40 0 DBABLO CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C3COC3)CC[N@@H+]21 ZINC000253403368 281260886 /nfs/dbraw/zinc/26/08/86/281260886.db2.gz PSXQJJGEGKDKPY-NSHDSACASA-N 1 2 303.428 -0.575 40 0 biogenic,in-vitro DBABLO CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C3COC3)CC[N@H+]21 ZINC000253403368 281260889 /nfs/dbraw/zinc/26/08/89/281260889.db2.gz PSXQJJGEGKDKPY-NSHDSACASA-N 1 2 303.428 -0.575 40 0 biogenic,in-vitro DBABLO CN1CC[N@H+](C)C2(CCN(C(=O)c3csnn3)CC2)C1=O ZINC000096077121 290034465 /nfs/dbraw/zinc/03/44/65/290034465.db2.gz HHJWMHGFIGMSFO-UHFFFAOYSA-N 1 2 309.395 -0.083 40 0 DBABLO CN1CC[N@@H+](C)C2(CCN(C(=O)c3csnn3)CC2)C1=O ZINC000096077121 290034466 /nfs/dbraw/zinc/03/44/66/290034466.db2.gz HHJWMHGFIGMSFO-UHFFFAOYSA-N 1 2 309.395 -0.083 40 0 DBABLO C[N@@H+]1CCN(CC2CC2)C(=O)C12CCN(S(C)(=O)=O)CC2 ZINC000096230124 290041449 /nfs/dbraw/zinc/04/14/49/290041449.db2.gz CKIKYDOENRZGBV-UHFFFAOYSA-N 1 2 315.439 -0.035 40 0 DBABLO C[N@H+]1CCN(CC2CC2)C(=O)C12CCN(S(C)(=O)=O)CC2 ZINC000096230124 290041450 /nfs/dbraw/zinc/04/14/50/290041450.db2.gz CKIKYDOENRZGBV-UHFFFAOYSA-N 1 2 315.439 -0.035 40 0 DBABLO O=C(c1ccc2n[nH]nc2c1)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257276058 203005100 /nfs/dbraw/zinc/00/51/00/203005100.db2.gz NSEWXJFQSURFSO-ZIAGYGMSSA-N 1 2 317.349 -0.525 40 0 DBABLO Cn1ccnc1C[N@@H+]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)C1 ZINC000257297785 203023115 /nfs/dbraw/zinc/02/31/15/203023115.db2.gz RITVJHCMLOYFDP-IAQYHMDHSA-N 1 2 319.365 -0.120 40 0 DBABLO Cn1ccnc1C[N@H+]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)C1 ZINC000257297785 203023118 /nfs/dbraw/zinc/02/31/18/203023118.db2.gz RITVJHCMLOYFDP-IAQYHMDHSA-N 1 2 319.365 -0.120 40 0 DBABLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1O)c1ccn[nH]1 ZINC000257277597 203006992 /nfs/dbraw/zinc/00/69/92/203006992.db2.gz NYQGGTNGBNSDOX-CHWSQXEVSA-N 1 2 305.313 -0.081 40 0 DBABLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1O)c1ccn[nH]1 ZINC000257277597 203006996 /nfs/dbraw/zinc/00/69/96/203006996.db2.gz NYQGGTNGBNSDOX-CHWSQXEVSA-N 1 2 305.313 -0.081 40 0 DBABLO Cc1nc(C)n(CCC(=O)N2CC[N@H+](C)[C@@H](C(=O)N(C)C)C2)n1 ZINC000257291482 203017698 /nfs/dbraw/zinc/01/76/98/203017698.db2.gz QHCXMYKYWYJJDN-CYBMUJFWSA-N 1 2 322.413 -0.484 40 0 DBABLO Cc1nc(C)n(CCC(=O)N2CC[N@@H+](C)[C@@H](C(=O)N(C)C)C2)n1 ZINC000257291482 203017700 /nfs/dbraw/zinc/01/77/00/203017700.db2.gz QHCXMYKYWYJJDN-CYBMUJFWSA-N 1 2 322.413 -0.484 40 0 DBABLO CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)Cn1cc[nH+]c1 ZINC000257318214 203043427 /nfs/dbraw/zinc/04/34/27/203043427.db2.gz VMZXAQZOMCKUNR-HNNXBMFYSA-N 1 2 316.365 -0.227 40 0 DBABLO [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000013212346 374351997 /nfs/dbraw/zinc/35/19/97/374351997.db2.gz HTOOKGDPMXSJSY-CHWSQXEVSA-N 1 2 318.333 -0.203 40 0 endogenous,in-man DBABLO O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CC(O)C2)C1 ZINC000585283586 374876520 /nfs/dbraw/zinc/87/65/20/374876520.db2.gz FGQFOOJKXNOZJI-DOTOQJQBSA-N 1 2 320.389 -0.770 40 0 DBABLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3COC[C@@H](O)[C@H]3O)CC2)cn1 ZINC000585288323 374879383 /nfs/dbraw/zinc/87/93/83/374879383.db2.gz VFTCVEAJSHSTPI-KFWWJZLASA-N 1 2 321.377 -0.732 40 0 DBABLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c(C)[nH]1 ZINC000585288388 374880340 /nfs/dbraw/zinc/88/03/40/374880340.db2.gz YYXXJURDWFOJTF-KFWWJZLASA-N 1 2 323.393 -0.490 40 0 DBABLO CC(C)n1nccc1CN1CC[NH+]([C@@H]2COC[C@@H](O)[C@H]2O)CC1 ZINC000585291184 374882063 /nfs/dbraw/zinc/88/20/63/374882063.db2.gz MWXJKMUSEBMEBT-OAGGEKHMSA-N 1 2 324.425 -0.298 40 0 DBABLO CC(=O)NCC(=O)N1CCc2[nH+]cc(Cn3cncn3)n2CC1 ZINC000096197010 374850841 /nfs/dbraw/zinc/85/08/41/374850841.db2.gz OBMHPOYVDTWAPK-UHFFFAOYSA-N 1 2 317.353 -0.956 40 0 DBABLO Cn1cc[nH+]c1CN1CCN2C[C@H](C(=O)[O-])C[N@H+](C)C[C@H]2C1 ZINC000107768685 374920463 /nfs/dbraw/zinc/92/04/63/374920463.db2.gz AWBXJZXDEZCBHO-OLZOCXBDSA-N 1 2 307.398 -0.448 40 0 DBABLO Cn1cc[nH+]c1CN1CCN2C[C@H](C(=O)[O-])C[N@@H+](C)C[C@H]2C1 ZINC000107768685 374920465 /nfs/dbraw/zinc/92/04/65/374920465.db2.gz AWBXJZXDEZCBHO-OLZOCXBDSA-N 1 2 307.398 -0.448 40 0 DBABLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257213802 377235307 /nfs/dbraw/zinc/23/53/07/377235307.db2.gz CJDBSBMBHPJITC-LLVKDONJSA-N 1 2 317.349 -0.282 40 0 DBABLO Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)c2ccccn2)C1 ZINC000257215081 377236451 /nfs/dbraw/zinc/23/64/51/377236451.db2.gz COQCPOPXRMYEQM-ZIAGYGMSSA-N 1 2 301.350 -0.210 40 0 DBABLO Cn1c[nH+]c(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)c1 ZINC000257232458 377237960 /nfs/dbraw/zinc/23/79/60/377237960.db2.gz GKXPQJVIHIFQLW-CHWSQXEVSA-N 1 2 302.338 -0.815 40 0 DBABLO Cn1nccc1CCC(=O)N1C[C@@H](O)[C@H]([NH+]2CCN(C)CC2)C1 ZINC000257246028 377241750 /nfs/dbraw/zinc/24/17/50/377241750.db2.gz ISCVURCMOADJTI-HUUCEWRRSA-N 1 2 321.425 -0.828 40 0 DBABLO CCN(CC)S(=O)(=O)N1CC[C@](O)(C[NH+]2CCOCC2)C1 ZINC000257263831 377244021 /nfs/dbraw/zinc/24/40/21/377244021.db2.gz LRRLPYQOABOPJM-ZDUSSCGKSA-N 1 2 321.443 -0.658 40 0 DBABLO O=C(N[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O)c1ccsc1 ZINC000257323180 377244359 /nfs/dbraw/zinc/24/43/59/377244359.db2.gz WJBADDAZBHTIMJ-NQBHXWOUSA-N 1 2 309.391 -0.198 40 0 DBABLO O=C(N[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O)c1ccsc1 ZINC000257323180 377244364 /nfs/dbraw/zinc/24/43/64/377244364.db2.gz WJBADDAZBHTIMJ-NQBHXWOUSA-N 1 2 309.391 -0.198 40 0 DBABLO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3CC(N)=O)cc1 ZINC000067897666 382667505 /nfs/dbraw/zinc/66/75/05/382667505.db2.gz LHBQZCPSJUVPRG-KGLIPLIRSA-N 1 2 319.361 -0.408 40 0 biogenic,in-vitro DBABLO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3CC(N)=O)cc1 ZINC000067897666 382667506 /nfs/dbraw/zinc/66/75/06/382667506.db2.gz LHBQZCPSJUVPRG-KGLIPLIRSA-N 1 2 319.361 -0.408 40 0 biogenic,in-vitro DBABLO C[N@H+](CCO)CCOC(=S)NC[C@@H]1CCS(=O)(=O)C1 ZINC000040168430 257130037 /nfs/dbraw/zinc/13/00/37/257130037.db2.gz STPGTNOZWFVFFJ-JTQLQIEISA-N 1 2 310.441 -0.764 40 0 DBABLO C[NH+]1CC2(C1)CN(C(=O)c1cccnc1)C[C@H]1C[C@@H](O)CN12 ZINC000514288853 257216112 /nfs/dbraw/zinc/21/61/12/257216112.db2.gz GCAKEYDXPFVXMG-ZIAGYGMSSA-N 1 2 302.378 -0.343 40 0 biogenic,in-vitro DBABLO 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1 2 313.442 -0.086 40 0 biogenic,in-vitro DBABLO C[N@@H+]1CCN(CCO)C(=O)C12CCN(C(=O)c1ccn[nH]1)CC2 ZINC000096230108 392490719 /nfs/dbraw/zinc/49/07/19/392490719.db2.gz RNBZIJOYUCDHDT-UHFFFAOYSA-N 1 2 321.381 -0.849 40 0 DBABLO C[N@H+]1CCN(CCO)C(=O)C12CCN(C(=O)c1ccn[nH]1)CC2 ZINC000096230108 392490725 /nfs/dbraw/zinc/49/07/25/392490725.db2.gz RNBZIJOYUCDHDT-UHFFFAOYSA-N 1 2 321.381 -0.849 40 0 DBABLO C[N@@H+]1CCN(CCO)C(=O)C12CCN(C(=O)c1cc[nH]n1)CC2 ZINC000096230108 392490729 /nfs/dbraw/zinc/49/07/29/392490729.db2.gz RNBZIJOYUCDHDT-UHFFFAOYSA-N 1 2 321.381 -0.849 40 0 DBABLO C[N@H+]1CCN(CCO)C(=O)C12CCN(C(=O)c1cc[nH]n1)CC2 ZINC000096230108 392490735 /nfs/dbraw/zinc/49/07/35/392490735.db2.gz RNBZIJOYUCDHDT-UHFFFAOYSA-N 1 2 321.381 -0.849 40 0 DBABLO O=C(Cn1cc[nH+]c1)NC[C@]1(O)CCN(c2ncccn2)C1 ZINC000257286297 392898156 /nfs/dbraw/zinc/89/81/56/392898156.db2.gz PLBPOTLEMURDFI-CQSZACIVSA-N 1 2 302.338 -0.569 40 0 DBABLO CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccoc3)C2)C1=O ZINC000225385407 273867063 /nfs/dbraw/zinc/86/70/63/273867063.db2.gz HTPVXNAPRIIVQP-NEPJUHHUSA-N 1 2 305.334 -0.732 40 0 biogenic,in-vitro DBABLO CC(=O)Nc1nnc(S(=O)(=O)NC2CC[NH+](C)CC2)s1 ZINC000074861099 191374916 /nfs/dbraw/zinc/37/49/16/191374916.db2.gz WEIKQSOISNRJPU-UHFFFAOYSA-N 1 2 319.412 -0.131 40 0 DBABLO CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000257292959 203017747 /nfs/dbraw/zinc/01/77/47/203017747.db2.gz QNOYYKSMFIUIQE-VIFPVBQESA-N 1 2 300.384 -0.447 40 0 DBABLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)cn1 ZINC000257313095 203037452 /nfs/dbraw/zinc/03/74/52/203037452.db2.gz URAGNZSTEXAOLY-ZIAGYGMSSA-N 1 2 314.349 -0.450 40 0 DBABLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)cn1 ZINC000257313095 203037455 /nfs/dbraw/zinc/03/74/55/203037455.db2.gz URAGNZSTEXAOLY-ZIAGYGMSSA-N 1 2 314.349 -0.450 40 0 DBABLO NC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCOCC1 ZINC000257318475 203042185 /nfs/dbraw/zinc/04/21/85/203042185.db2.gz VOCFBONAHIROKN-KBXIAJHMSA-N 1 2 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CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000257292958 203017270 /nfs/dbraw/zinc/01/72/70/203017270.db2.gz QNOYYKSMFIUIQE-SECBINFHSA-N 1 2 300.384 -0.447 40 0 DBABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1C[C@@H]2NC(=O)CO[C@H]2C1 ZINC000257327141 203051545 /nfs/dbraw/zinc/05/15/45/203051545.db2.gz XADHXHBWHHHZPR-RYUDHWBXSA-N 1 2 313.317 -0.393 40 0 DBABLO CCCn1cc[nH+]c1CN1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000257321086 203044785 /nfs/dbraw/zinc/04/47/85/203044785.db2.gz WAANSKVRFOYWPQ-CHWSQXEVSA-N 1 2 318.381 -0.009 40 0 DBABLO Cc1cnc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)cn1 ZINC000257322334 203047072 /nfs/dbraw/zinc/04/70/72/203047072.db2.gz WFNMUSFSTUAMQW-CHWSQXEVSA-N 1 2 302.338 -0.517 40 0 DBABLO Cc1cnc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)cn1 ZINC000257322334 203047075 /nfs/dbraw/zinc/04/70/75/203047075.db2.gz WFNMUSFSTUAMQW-CHWSQXEVSA-N 1 2 302.338 -0.517 40 0 DBABLO CCCS(=O)(=O)N1CC[C@](O)(C[NH+]2CCN(C)CC2)C1 ZINC000257340483 203061966 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