smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCn1cc[nH+]c1 ZINC000159887908 372191015 /nfs/dbraw/zinc/19/10/15/372191015.db2.gz LCNSFTHZANOEAC-RAXLEYEMSA-N 2 2 275.783 3.230 20 70 CGIDLP C[C@H](c1ccccc1Cl)[N@H+](C)CCn1cc[nH+]c1 ZINC000159763130 392580327 /nfs/dbraw/zinc/58/03/27/392580327.db2.gz AGQJQPDKWKTKJL-GFCCVEGCSA-N 2 2 263.772 3.230 20 70 CGIDLP C[C@H](c1ccccc1Cl)[N@@H+](C)CCn1cc[nH+]c1 ZINC000159763130 392580332 /nfs/dbraw/zinc/58/03/32/392580332.db2.gz AGQJQPDKWKTKJL-GFCCVEGCSA-N 2 2 263.772 3.230 20 70 CGIDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000217876476 270085394 /nfs/dbraw/zinc/08/53/94/270085394.db2.gz JRPALIGFNOLCPH-IRXDYDNUSA-N 2 2 276.399 3.351 20 70 CGIDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000217876476 270085395 /nfs/dbraw/zinc/08/53/95/270085395.db2.gz JRPALIGFNOLCPH-IRXDYDNUSA-N 2 2 276.399 3.351 20 70 CGIDLP Fc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000161133076 572337950 /nfs/dbraw/zinc/33/79/50/572337950.db2.gz VPGFUDFJOZHUIT-CJNGLKHVSA-N 2 2 296.817 3.443 20 70 CGIDLP Fc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000161133076 572337953 /nfs/dbraw/zinc/33/79/53/572337953.db2.gz VPGFUDFJOZHUIT-CJNGLKHVSA-N 2 2 296.817 3.443 20 70 CGIDLP C[N@H+](CCn1cc[nH+]c1)Cc1csc2ccccc12 ZINC000159744399 372175189 /nfs/dbraw/zinc/17/51/89/372175189.db2.gz KIHQOAZQASLFMZ-UHFFFAOYSA-N 2 2 271.389 3.230 20 70 CGIDLP C[N@@H+](CCn1cc[nH+]c1)Cc1csc2ccccc12 ZINC000159744399 372175194 /nfs/dbraw/zinc/17/51/94/372175194.db2.gz KIHQOAZQASLFMZ-UHFFFAOYSA-N 2 2 271.389 3.230 20 70 CGIDLP C[C@H](C[NH2+][C@@H](C)C1(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000160883880 524493282 /nfs/dbraw/zinc/49/32/82/524493282.db2.gz BHLILOHZNXTQLV-CABCVRRESA-N 2 2 260.425 3.285 20 70 CGIDLP C[C@H](C[NH2+][C@@H](C)C1(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000160883880 524493294 /nfs/dbraw/zinc/49/32/94/524493294.db2.gz BHLILOHZNXTQLV-CABCVRRESA-N 2 2 260.425 3.285 20 70 CGIDLP Clc1ccccc1[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000159764728 372178569 /nfs/dbraw/zinc/17/85/69/372178569.db2.gz GPRHCIVUGOOZJE-HNNXBMFYSA-N 2 2 275.783 3.374 20 70 CGIDLP Clc1ccccc1[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000159764728 372178579 /nfs/dbraw/zinc/17/85/79/372178579.db2.gz GPRHCIVUGOOZJE-HNNXBMFYSA-N 2 2 275.783 3.374 20 70 CGIDLP C[C@H]1C[C@H]1c1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)o1 ZINC000159695650 372170570 /nfs/dbraw/zinc/17/05/70/372170570.db2.gz VKZMAZBHIJVYDV-XJKSGUPXSA-N 2 2 285.391 3.264 20 70 CGIDLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)o1 ZINC000159695650 372170576 /nfs/dbraw/zinc/17/05/76/372170576.db2.gz VKZMAZBHIJVYDV-XJKSGUPXSA-N 2 2 285.391 3.264 20 70 CGIDLP C[C@H]1SCC[N@H+](CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000159834439 372185462 /nfs/dbraw/zinc/18/54/62/372185462.db2.gz YXFMJZNZDCUPCO-GDBMZVCRSA-N 2 2 287.432 3.062 20 70 CGIDLP C[C@H]1SCC[N@@H+](CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000159834439 372185464 /nfs/dbraw/zinc/18/54/64/372185464.db2.gz YXFMJZNZDCUPCO-GDBMZVCRSA-N 2 2 287.432 3.062 20 70 CGIDLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217485410 376175306 /nfs/dbraw/zinc/17/53/06/376175306.db2.gz OBOWQDQHJUIGLS-ZYHUDNBSSA-N 2 2 288.313 3.069 20 70 CGIDLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217485410 376175315 /nfs/dbraw/zinc/17/53/15/376175315.db2.gz OBOWQDQHJUIGLS-ZYHUDNBSSA-N 2 2 288.313 3.069 20 70 CGIDLP CC(C)(C)OCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159721893 372173239 /nfs/dbraw/zinc/17/32/39/372173239.db2.gz DQPOOVBFROOGDF-KRWDZBQOSA-N 2 2 290.451 3.056 20 70 CGIDLP CC(C)(C)OCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000159721893 372173244 /nfs/dbraw/zinc/17/32/44/372173244.db2.gz DQPOOVBFROOGDF-KRWDZBQOSA-N 2 2 290.451 3.056 20 70 CGIDLP CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000160889289 372284737 /nfs/dbraw/zinc/28/47/37/372284737.db2.gz JHPLEEQHNDTLCK-WMLDXEAASA-N 2 2 260.425 3.285 20 70 CGIDLP CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000160889289 372284747 /nfs/dbraw/zinc/28/47/47/372284747.db2.gz JHPLEEQHNDTLCK-WMLDXEAASA-N 2 2 260.425 3.285 20 70 CGIDLP Fc1cc(Cl)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000160885439 372284781 /nfs/dbraw/zinc/28/47/81/372284781.db2.gz IDLKUEIDZHKKAJ-UHFFFAOYSA-N 2 2 282.790 3.196 20 70 CGIDLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000161019726 525562134 /nfs/dbraw/zinc/56/21/34/525562134.db2.gz HASNSYCWBQBDHU-YUTCNCBUSA-N 2 2 282.378 3.488 20 70 CGIDLP Cc1[nH+]c2ccccn2c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000160790213 527177474 /nfs/dbraw/zinc/17/74/74/527177474.db2.gz NIMCDCMYHBFSNI-GJZGRUSLSA-N 2 2 269.392 3.407 20 70 CGIDLP Cc1[nH+]c2ccccn2c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000160790213 527177482 /nfs/dbraw/zinc/17/74/82/527177482.db2.gz NIMCDCMYHBFSNI-GJZGRUSLSA-N 2 2 269.392 3.407 20 70 CGIDLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)o1 ZINC000159695514 372170736 /nfs/dbraw/zinc/17/07/36/372170736.db2.gz VKZMAZBHIJVYDV-CZUORRHYSA-N 2 2 285.391 3.264 20 70 CGIDLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)o1 ZINC000159695514 372170744 /nfs/dbraw/zinc/17/07/44/372170744.db2.gz VKZMAZBHIJVYDV-CZUORRHYSA-N 2 2 285.391 3.264 20 70 CGIDLP c1coc([C@H]2CCCCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000159836935 372184149 /nfs/dbraw/zinc/18/41/49/372184149.db2.gz QWYOGCGNXHHIQQ-CQSZACIVSA-N 2 2 259.353 3.093 20 70 CGIDLP c1coc([C@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000159836935 372184158 /nfs/dbraw/zinc/18/41/58/372184158.db2.gz QWYOGCGNXHHIQQ-CQSZACIVSA-N 2 2 259.353 3.093 20 70 CGIDLP Clc1ccccc1[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000159764832 372177463 /nfs/dbraw/zinc/17/74/63/372177463.db2.gz GPRHCIVUGOOZJE-OAHLLOKOSA-N 2 2 275.783 3.374 20 70 CGIDLP Clc1ccccc1[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000159764832 372177468 /nfs/dbraw/zinc/17/74/68/372177468.db2.gz GPRHCIVUGOOZJE-OAHLLOKOSA-N 2 2 275.783 3.374 20 70 CGIDLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1Cl ZINC000161047884 372299083 /nfs/dbraw/zinc/29/90/83/372299083.db2.gz ZCNHJGPIAFKNQF-AVGNSLFASA-N 2 2 281.831 3.258 20 70 CGIDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217688703 392994765 /nfs/dbraw/zinc/99/47/65/392994765.db2.gz QXHIAKIVLZHVSM-ULQDDVLXSA-N 2 2 276.399 3.493 20 70 CGIDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217688703 392994772 /nfs/dbraw/zinc/99/47/72/392994772.db2.gz QXHIAKIVLZHVSM-ULQDDVLXSA-N 2 2 276.399 3.493 20 70 CGIDLP COCC[N@H+](C)CC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000159389393 372138366 /nfs/dbraw/zinc/13/83/66/372138366.db2.gz SXAJBVYUQLPQMK-AWEZNQCLSA-N 2 2 284.469 3.003 20 70 CGIDLP COCC[N@@H+](C)CC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000159389393 372138371 /nfs/dbraw/zinc/13/83/71/372138371.db2.gz SXAJBVYUQLPQMK-AWEZNQCLSA-N 2 2 284.469 3.003 20 70 CGIDLP C[N@H+](CCn1cc[nH+]c1)Cc1cc(Cl)cc(Cl)c1 ZINC000159759848 372176700 /nfs/dbraw/zinc/17/67/00/372176700.db2.gz JUVPKLDSWMRINA-UHFFFAOYSA-N 2 2 284.190 3.322 20 70 CGIDLP C[N@@H+](CCn1cc[nH+]c1)Cc1cc(Cl)cc(Cl)c1 ZINC000159759848 372176706 /nfs/dbraw/zinc/17/67/06/372176706.db2.gz JUVPKLDSWMRINA-UHFFFAOYSA-N 2 2 284.190 3.322 20 70 CGIDLP C[C@@H](c1ccco1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161299408 372316518 /nfs/dbraw/zinc/31/65/18/372316518.db2.gz WQHFHYROCGHYGM-AWEZNQCLSA-N 2 2 250.386 3.148 20 70 CGIDLP C[C@@H](c1ccco1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161299408 372316522 /nfs/dbraw/zinc/31/65/22/372316522.db2.gz WQHFHYROCGHYGM-AWEZNQCLSA-N 2 2 250.386 3.148 20 70 CGIDLP c1[nH+]c2ccccn2c1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000161441173 372325675 /nfs/dbraw/zinc/32/56/75/372325675.db2.gz YUIQXBVLJVTHCC-GJZGRUSLSA-N 2 2 287.432 3.194 20 70 CGIDLP c1[nH+]c2ccccn2c1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000161441173 372325683 /nfs/dbraw/zinc/32/56/83/372325683.db2.gz YUIQXBVLJVTHCC-GJZGRUSLSA-N 2 2 287.432 3.194 20 70 CGIDLP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217793746 376180079 /nfs/dbraw/zinc/18/00/79/376180079.db2.gz RZUKAZUOMOVBEM-UHFFFAOYSA-N 2 2 290.451 3.220 20 70 CGIDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217793746 376180088 /nfs/dbraw/zinc/18/00/88/376180088.db2.gz RZUKAZUOMOVBEM-UHFFFAOYSA-N 2 2 290.451 3.220 20 70 CGIDLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217484527 290223825 /nfs/dbraw/zinc/22/38/25/290223825.db2.gz QZWMWRCQADBGMZ-ZWNOBZJWSA-N 2 2 272.314 3.190 20 70 CGIDLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217484527 290223828 /nfs/dbraw/zinc/22/38/28/290223828.db2.gz QZWMWRCQADBGMZ-ZWNOBZJWSA-N 2 2 272.314 3.190 20 70 CGIDLP CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000160888924 372285834 /nfs/dbraw/zinc/28/58/34/372285834.db2.gz JHPLEEQHNDTLCK-PBHICJAKSA-N 2 2 260.425 3.285 20 70 CGIDLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000160888924 372285840 /nfs/dbraw/zinc/28/58/40/372285840.db2.gz JHPLEEQHNDTLCK-PBHICJAKSA-N 2 2 260.425 3.285 20 70 CGIDLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000161455415 372325772 /nfs/dbraw/zinc/32/57/72/372325772.db2.gz ZJCBGBWPQOGQBU-GFCCVEGCSA-N 2 2 296.842 3.484 20 70 CGIDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC ZINC000218118096 376184938 /nfs/dbraw/zinc/18/49/38/376184938.db2.gz AGSATQVYNNLVHQ-ULQDDVLXSA-N 2 2 288.435 3.363 20 70 CGIDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1OC ZINC000218118096 376184940 /nfs/dbraw/zinc/18/49/40/376184940.db2.gz AGSATQVYNNLVHQ-ULQDDVLXSA-N 2 2 288.435 3.363 20 70 CGIDLP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)C(C)C)s1 ZINC000159775855 372177882 /nfs/dbraw/zinc/17/78/82/372177882.db2.gz DBDLZHZUXPKUGG-UHFFFAOYSA-N 2 2 263.410 3.164 20 70 CGIDLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2)C(C)C)s1 ZINC000159775855 372177886 /nfs/dbraw/zinc/17/78/86/372177886.db2.gz DBDLZHZUXPKUGG-UHFFFAOYSA-N 2 2 263.410 3.164 20 70 CGIDLP C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159933867 372196231 /nfs/dbraw/zinc/19/62/31/372196231.db2.gz JKPFUKNUCVAVFO-GDBMZVCRSA-N 2 2 299.418 3.481 20 70 CGIDLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1Cl ZINC000161047643 372298964 /nfs/dbraw/zinc/29/89/64/372298964.db2.gz ZCNHJGPIAFKNQF-XQQFMLRXSA-N 2 2 281.831 3.258 20 70 CGIDLP Fc1cc(Cl)cc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000160922972 321860192 /nfs/dbraw/zinc/86/01/92/321860192.db2.gz PGHKZRVILFDQOJ-UHFFFAOYSA-N 2 2 281.762 3.246 20 70 CGIDLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000161428289 372323732 /nfs/dbraw/zinc/32/37/32/372323732.db2.gz DSEREDKZRZCJDP-GFCCVEGCSA-N 2 2 298.377 3.341 20 70 CGIDLP C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000161475255 372327703 /nfs/dbraw/zinc/32/77/03/372327703.db2.gz GPCWERTZWQGLLW-OAHLLOKOSA-N 2 2 292.398 3.112 20 70 CGIDLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217484441 287132701 /nfs/dbraw/zinc/13/27/01/287132701.db2.gz QZWMWRCQADBGMZ-GXFFZTMASA-N 2 2 272.314 3.190 20 70 CGIDLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217484441 287132702 /nfs/dbraw/zinc/13/27/02/287132702.db2.gz QZWMWRCQADBGMZ-GXFFZTMASA-N 2 2 272.314 3.190 20 70 CGIDLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)o1 ZINC000159695376 372169716 /nfs/dbraw/zinc/16/97/16/372169716.db2.gz VKZMAZBHIJVYDV-BBRMVZONSA-N 2 2 285.391 3.264 20 70 CGIDLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)o1 ZINC000159695376 372169724 /nfs/dbraw/zinc/16/97/24/372169724.db2.gz VKZMAZBHIJVYDV-BBRMVZONSA-N 2 2 285.391 3.264 20 70 CGIDLP CC[C@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000159865466 372188696 /nfs/dbraw/zinc/18/86/96/372188696.db2.gz FTOOSMOVMIVCDM-WMZOPIPTSA-N 2 2 283.419 3.399 20 70 CGIDLP CC[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000159865466 372188706 /nfs/dbraw/zinc/18/87/06/372188706.db2.gz FTOOSMOVMIVCDM-WMZOPIPTSA-N 2 2 283.419 3.399 20 70 CGIDLP c1coc([C@@H]2CCCCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000159836829 372184542 /nfs/dbraw/zinc/18/45/42/372184542.db2.gz QWYOGCGNXHHIQQ-AWEZNQCLSA-N 2 2 259.353 3.093 20 70 CGIDLP c1coc([C@@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000159836829 372184554 /nfs/dbraw/zinc/18/45/54/372184554.db2.gz QWYOGCGNXHHIQQ-AWEZNQCLSA-N 2 2 259.353 3.093 20 70 CGIDLP CC[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000159865326 372188917 /nfs/dbraw/zinc/18/89/17/372188917.db2.gz FTOOSMOVMIVCDM-AEFFLSMTSA-N 2 2 283.419 3.399 20 70 CGIDLP CC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000159865326 372188921 /nfs/dbraw/zinc/18/89/21/372188921.db2.gz FTOOSMOVMIVCDM-AEFFLSMTSA-N 2 2 283.419 3.399 20 70 CGIDLP C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159933715 372195811 /nfs/dbraw/zinc/19/58/11/372195811.db2.gz JKPFUKNUCVAVFO-GOEBONIOSA-N 2 2 299.418 3.481 20 70 CGIDLP CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000160889030 372285177 /nfs/dbraw/zinc/28/51/77/372285177.db2.gz JHPLEEQHNDTLCK-RHSMWYFYSA-N 2 2 260.425 3.285 20 70 CGIDLP CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000160889030 372285185 /nfs/dbraw/zinc/28/51/85/372285185.db2.gz JHPLEEQHNDTLCK-RHSMWYFYSA-N 2 2 260.425 3.285 20 70 CGIDLP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217644019 376176161 /nfs/dbraw/zinc/17/61/61/376176161.db2.gz IZDOPOAWVGNWJP-GJZGRUSLSA-N 2 2 298.352 3.422 20 70 CGIDLP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217644019 376176166 /nfs/dbraw/zinc/17/61/66/376176166.db2.gz IZDOPOAWVGNWJP-GJZGRUSLSA-N 2 2 298.352 3.422 20 70 CGIDLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218130104 376184995 /nfs/dbraw/zinc/18/49/95/376184995.db2.gz JUXKBJODIHYYCZ-UAGQMJEPSA-N 2 2 288.435 3.281 20 70 CGIDLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218130104 376185000 /nfs/dbraw/zinc/18/50/00/376185000.db2.gz JUXKBJODIHYYCZ-UAGQMJEPSA-N 2 2 288.435 3.281 20 70 CGIDLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000218230728 376187329 /nfs/dbraw/zinc/18/73/29/376187329.db2.gz IERJTQQBSFKHBI-MAZHCROVSA-N 2 2 292.398 3.112 20 70 CGIDLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000218230728 376187336 /nfs/dbraw/zinc/18/73/36/376187336.db2.gz IERJTQQBSFKHBI-MAZHCROVSA-N 2 2 292.398 3.112 20 70 CGIDLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000218572862 392997688 /nfs/dbraw/zinc/99/76/88/392997688.db2.gz VBGZPOZSATUDMU-AEFFLSMTSA-N 2 2 270.420 3.207 20 70 CGIDLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000218572862 392997696 /nfs/dbraw/zinc/99/76/96/392997696.db2.gz VBGZPOZSATUDMU-AEFFLSMTSA-N 2 2 270.420 3.207 20 70 CGIDLP Cc1[nH+]cc(C[NH2+][C@@H]2CCOC(C)(C)C2)n1-c1ccccc1 ZINC000160528317 534743829 /nfs/dbraw/zinc/74/38/29/534743829.db2.gz YWRNETGYBYIWNZ-OAHLLOKOSA-N 2 2 299.418 3.228 20 70 CGIDLP C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000160883739 524748558 /nfs/dbraw/zinc/74/85/58/524748558.db2.gz BHLILOHZNXTQLV-GJZGRUSLSA-N 2 2 260.425 3.285 20 70 CGIDLP C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000160883739 524748566 /nfs/dbraw/zinc/74/85/66/524748566.db2.gz BHLILOHZNXTQLV-GJZGRUSLSA-N 2 2 260.425 3.285 20 70 CGIDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000217659843 392995018 /nfs/dbraw/zinc/99/50/18/392995018.db2.gz CULWOIYAUWPDEH-BZSNNMDCSA-N 2 2 288.435 3.363 20 70 CGIDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000217659843 392995020 /nfs/dbraw/zinc/99/50/20/392995020.db2.gz CULWOIYAUWPDEH-BZSNNMDCSA-N 2 2 288.435 3.363 20 70 CGIDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000159749667 372176218 /nfs/dbraw/zinc/17/62/18/372176218.db2.gz JCSDLHQDZNKTPA-UHFFFAOYSA-N 2 2 263.772 3.059 20 70 CGIDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000159749667 372176230 /nfs/dbraw/zinc/17/62/30/372176230.db2.gz JCSDLHQDZNKTPA-UHFFFAOYSA-N 2 2 263.772 3.059 20 70 CGIDLP Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160245759 372229085 /nfs/dbraw/zinc/22/90/85/372229085.db2.gz DJIHPHSCTBATIJ-UKRRQHHQSA-N 2 2 269.392 3.438 20 70 CGIDLP Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000160245759 372229091 /nfs/dbraw/zinc/22/90/91/372229091.db2.gz DJIHPHSCTBATIJ-UKRRQHHQSA-N 2 2 269.392 3.438 20 70 CGIDLP Cc1ccc([C@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000159844429 372186812 /nfs/dbraw/zinc/18/68/12/372186812.db2.gz BGGZFESWNXZNPX-OAHLLOKOSA-N 2 2 273.380 3.402 20 70 CGIDLP Cc1ccc([C@H]2CCCCC[N@H+]2CCn2cc[nH+]c2)o1 ZINC000159844429 372186819 /nfs/dbraw/zinc/18/68/19/372186819.db2.gz BGGZFESWNXZNPX-OAHLLOKOSA-N 2 2 273.380 3.402 20 70 CGIDLP Cc1ccc([C@@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000159844316 372187668 /nfs/dbraw/zinc/18/76/68/372187668.db2.gz BGGZFESWNXZNPX-HNNXBMFYSA-N 2 2 273.380 3.402 20 70 CGIDLP Cc1ccc([C@@H]2CCCCC[N@H+]2CCn2cc[nH+]c2)o1 ZINC000159844316 372187673 /nfs/dbraw/zinc/18/76/73/372187673.db2.gz BGGZFESWNXZNPX-HNNXBMFYSA-N 2 2 273.380 3.402 20 70 CGIDLP Cc1cccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000159769677 372178131 /nfs/dbraw/zinc/17/81/31/372178131.db2.gz QCTJTFGOBSFXSR-INIZCTEOSA-N 2 2 255.365 3.029 20 70 CGIDLP Cc1cccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000159769677 372178139 /nfs/dbraw/zinc/17/81/39/372178139.db2.gz QCTJTFGOBSFXSR-INIZCTEOSA-N 2 2 255.365 3.029 20 70 CGIDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000217696621 376179380 /nfs/dbraw/zinc/17/93/80/376179380.db2.gz AUDJPNAJVXHOJZ-RCBQFDQVSA-N 2 2 262.372 3.103 20 70 CGIDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000217696621 376179388 /nfs/dbraw/zinc/17/93/88/376179388.db2.gz AUDJPNAJVXHOJZ-RCBQFDQVSA-N 2 2 262.372 3.103 20 70 CGIDLP c1cn(CCCC[NH2+]Cc2coc3ccccc23)c[nH+]1 ZINC000161098741 572882505 /nfs/dbraw/zinc/88/25/05/572882505.db2.gz HLFFSAWOFSBACJ-UHFFFAOYSA-N 2 2 269.348 3.199 20 70 CGIDLP C[N@H+](CCn1cc[nH+]c1)Cc1cccc2ccccc21 ZINC000159757279 372175381 /nfs/dbraw/zinc/17/53/81/372175381.db2.gz KAZINNJLYJRPFD-UHFFFAOYSA-N 2 2 265.360 3.168 20 70 CGIDLP C[N@@H+](CCn1cc[nH+]c1)Cc1cccc2ccccc21 ZINC000159757279 372175384 /nfs/dbraw/zinc/17/53/84/372175384.db2.gz KAZINNJLYJRPFD-UHFFFAOYSA-N 2 2 265.360 3.168 20 70 CGIDLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000159750015 372175576 /nfs/dbraw/zinc/17/55/76/372175576.db2.gz HRTARPALHGGDNT-UHFFFAOYSA-N 2 2 277.799 3.447 20 70 CGIDLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000159750015 372175582 /nfs/dbraw/zinc/17/55/82/372175582.db2.gz HRTARPALHGGDNT-UHFFFAOYSA-N 2 2 277.799 3.447 20 70 CGIDLP Fc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160767307 372273882 /nfs/dbraw/zinc/27/38/82/372273882.db2.gz PYWMDGZXFRPDPM-LLVKDONJSA-N 2 2 282.790 3.053 20 70 CGIDLP Fc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000160767307 372273889 /nfs/dbraw/zinc/27/38/89/372273889.db2.gz PYWMDGZXFRPDPM-LLVKDONJSA-N 2 2 282.790 3.053 20 70 CGIDLP c1[nH+]c2ccccn2c1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000161441324 372324974 /nfs/dbraw/zinc/32/49/74/372324974.db2.gz YUIQXBVLJVTHCC-LSDHHAIUSA-N 2 2 287.432 3.194 20 70 CGIDLP c1[nH+]c2ccccn2c1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000161441324 372324983 /nfs/dbraw/zinc/32/49/83/372324983.db2.gz YUIQXBVLJVTHCC-LSDHHAIUSA-N 2 2 287.432 3.194 20 70 CGIDLP C[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000161445155 372325729 /nfs/dbraw/zinc/32/57/29/372325729.db2.gz CDVUKHMXTYWKAK-OAHLLOKOSA-N 2 2 294.826 3.238 20 70 CGIDLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000218230879 376187370 /nfs/dbraw/zinc/18/73/70/376187370.db2.gz IERJTQQBSFKHBI-RCBQFDQVSA-N 2 2 292.398 3.112 20 70 CGIDLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000218230879 376187380 /nfs/dbraw/zinc/18/73/80/376187380.db2.gz IERJTQQBSFKHBI-RCBQFDQVSA-N 2 2 292.398 3.112 20 70 CGIDLP C[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000161445274 372324799 /nfs/dbraw/zinc/32/47/99/372324799.db2.gz CDVUKHMXTYWKAK-HNNXBMFYSA-N 2 2 294.826 3.238 20 70 CGIDLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217659340 376176983 /nfs/dbraw/zinc/17/69/83/376176983.db2.gz VFEWUDXRCXHVIO-UAGQMJEPSA-N 2 2 288.435 3.363 20 70 CGIDLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217659340 376176990 /nfs/dbraw/zinc/17/69/90/376176990.db2.gz VFEWUDXRCXHVIO-UAGQMJEPSA-N 2 2 288.435 3.363 20 70 CGIDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217688533 376180217 /nfs/dbraw/zinc/18/02/17/376180217.db2.gz QXHIAKIVLZHVSM-BBWFWOEESA-N 2 2 276.399 3.493 20 70 CGIDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217688533 376180222 /nfs/dbraw/zinc/18/02/22/376180222.db2.gz QXHIAKIVLZHVSM-BBWFWOEESA-N 2 2 276.399 3.493 20 70 CGIDLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000160884007 525490588 /nfs/dbraw/zinc/49/05/88/525490588.db2.gz BHLILOHZNXTQLV-LSDHHAIUSA-N 2 2 260.425 3.285 20 70 CGIDLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000160884007 525490596 /nfs/dbraw/zinc/49/05/96/525490596.db2.gz BHLILOHZNXTQLV-LSDHHAIUSA-N 2 2 260.425 3.285 20 70 CGIDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccco2)[C@H](C)C1 ZINC000160172693 372220438 /nfs/dbraw/zinc/22/04/38/372220438.db2.gz WVXVXZNAYDPYFB-OWCLPIDISA-N 2 2 294.439 3.067 20 70 CGIDLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccco2)[C@H](C)C1 ZINC000160172693 372220442 /nfs/dbraw/zinc/22/04/42/372220442.db2.gz WVXVXZNAYDPYFB-OWCLPIDISA-N 2 2 294.439 3.067 20 70 CGIDLP C[C@@H](C[NH2+]C(C1CC1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000160860068 372282733 /nfs/dbraw/zinc/28/27/33/372282733.db2.gz MVCATLMQDYYJRE-AWEZNQCLSA-N 2 2 272.436 3.285 20 70 CGIDLP C[C@@H](C[NH2+]C(C1CC1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000160860068 372282741 /nfs/dbraw/zinc/28/27/41/372282741.db2.gz MVCATLMQDYYJRE-AWEZNQCLSA-N 2 2 272.436 3.285 20 70 CGIDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000217658457 376177092 /nfs/dbraw/zinc/17/70/92/376177092.db2.gz XWSBBBUZGYGNSM-UVBJJODRSA-N 2 2 280.362 3.242 20 70 CGIDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000217658457 376177103 /nfs/dbraw/zinc/17/71/03/376177103.db2.gz XWSBBBUZGYGNSM-UVBJJODRSA-N 2 2 280.362 3.242 20 70 CGIDLP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000161437629 522560778 /nfs/dbraw/zinc/56/07/78/522560778.db2.gz BJTYSHNLFQQBMB-HNNXBMFYSA-N 2 2 296.842 3.484 20 70 CGIDLP Cc1[nH+]c2ccccn2c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000160790086 282090810 /nfs/dbraw/zinc/09/08/10/282090810.db2.gz NIMCDCMYHBFSNI-CABCVRRESA-N 2 2 269.392 3.407 20 70 CGIDLP Cc1[nH+]c2ccccn2c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000160790086 282090812 /nfs/dbraw/zinc/09/08/12/282090812.db2.gz NIMCDCMYHBFSNI-CABCVRRESA-N 2 2 269.392 3.407 20 70 CGIDLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)o1 ZINC000159695237 372169479 /nfs/dbraw/zinc/16/94/79/372169479.db2.gz VKZMAZBHIJVYDV-CJNGLKHVSA-N 2 2 285.391 3.264 20 70 CGIDLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)o1 ZINC000159695237 372169485 /nfs/dbraw/zinc/16/94/85/372169485.db2.gz VKZMAZBHIJVYDV-CJNGLKHVSA-N 2 2 285.391 3.264 20 70 CGIDLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCn1cc[nH+]c1 ZINC000159688559 372169865 /nfs/dbraw/zinc/16/98/65/372169865.db2.gz RPFZJVXRWPWTLQ-ZDUSSCGKSA-N 2 2 269.348 3.322 20 70 CGIDLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000159688559 372169871 /nfs/dbraw/zinc/16/98/71/372169871.db2.gz RPFZJVXRWPWTLQ-ZDUSSCGKSA-N 2 2 269.348 3.322 20 70 CGIDLP Cc1cc2ccccc2[nH+]c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160245876 372229422 /nfs/dbraw/zinc/22/94/22/372229422.db2.gz DJIHPHSCTBATIJ-HIFRSBDPSA-N 2 2 269.392 3.438 20 70 CGIDLP Cc1cc2ccccc2[nH+]c1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000160245876 372229429 /nfs/dbraw/zinc/22/94/29/372229429.db2.gz DJIHPHSCTBATIJ-HIFRSBDPSA-N 2 2 269.392 3.438 20 70 CGIDLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217485345 376174923 /nfs/dbraw/zinc/17/49/23/376174923.db2.gz OBOWQDQHJUIGLS-CMPLNLGQSA-N 2 2 288.313 3.069 20 70 CGIDLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217485345 376174929 /nfs/dbraw/zinc/17/49/29/376174929.db2.gz OBOWQDQHJUIGLS-CMPLNLGQSA-N 2 2 288.313 3.069 20 70 CGIDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC ZINC000218117937 376185077 /nfs/dbraw/zinc/18/50/77/376185077.db2.gz AGSATQVYNNLVHQ-BBWFWOEESA-N 2 2 288.435 3.363 20 70 CGIDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1OC ZINC000218117937 376185079 /nfs/dbraw/zinc/18/50/79/376185079.db2.gz AGSATQVYNNLVHQ-BBWFWOEESA-N 2 2 288.435 3.363 20 70 CGIDLP COCC[N@H+](C)CC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000159389545 523612643 /nfs/dbraw/zinc/61/26/43/523612643.db2.gz SXAJBVYUQLPQMK-CQSZACIVSA-N 2 2 284.469 3.003 20 70 CGIDLP COCC[N@@H+](C)CC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000159389545 523612655 /nfs/dbraw/zinc/61/26/55/523612655.db2.gz SXAJBVYUQLPQMK-CQSZACIVSA-N 2 2 284.469 3.003 20 70 CGIDLP CC[C@@](C)([NH2+]CCC[NH+]1CCCCC1)c1nccs1 ZINC000161433537 523657800 /nfs/dbraw/zinc/65/78/00/523657800.db2.gz ZKXWHELOLMELNX-OAHLLOKOSA-N 2 2 281.469 3.234 20 70 CGIDLP C[C@H](C[NH2+][C@H](C)C1(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000160884138 524499771 /nfs/dbraw/zinc/49/97/71/524499771.db2.gz BHLILOHZNXTQLV-HUUCEWRRSA-N 2 2 260.425 3.285 20 70 CGIDLP C[C@H](C[NH2+][C@H](C)C1(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000160884138 524499777 /nfs/dbraw/zinc/49/97/77/524499777.db2.gz BHLILOHZNXTQLV-HUUCEWRRSA-N 2 2 260.425 3.285 20 70 CGIDLP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000161019829 525637643 /nfs/dbraw/zinc/63/76/43/525637643.db2.gz HASNSYCWBQBDHU-BNOWGMLFSA-N 2 2 282.378 3.488 20 70 CGIDLP Cc1cc[nH+]c(N(C)Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000159703101 372171253 /nfs/dbraw/zinc/17/12/53/372171253.db2.gz FLIDPHNZJZQVBH-UHFFFAOYSA-N 2 2 292.386 3.271 20 70 CGIDLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000159836289 372185160 /nfs/dbraw/zinc/18/51/60/372185160.db2.gz QZRULECNEIFAHU-ZDUSSCGKSA-N 2 2 277.799 3.100 20 70 CGIDLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000159836289 372185168 /nfs/dbraw/zinc/18/51/68/372185168.db2.gz QZRULECNEIFAHU-ZDUSSCGKSA-N 2 2 277.799 3.100 20 70 CGIDLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000160889165 372285726 /nfs/dbraw/zinc/28/57/26/372285726.db2.gz JHPLEEQHNDTLCK-YOEHRIQHSA-N 2 2 260.425 3.285 20 70 CGIDLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000160889165 372285735 /nfs/dbraw/zinc/28/57/35/372285735.db2.gz JHPLEEQHNDTLCK-YOEHRIQHSA-N 2 2 260.425 3.285 20 70 CGIDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000217876260 270085615 /nfs/dbraw/zinc/08/56/15/270085615.db2.gz HRRWYGIRLRYLBF-IRXDYDNUSA-N 2 2 260.425 3.458 20 70 CGIDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000217876260 270085616 /nfs/dbraw/zinc/08/56/16/270085616.db2.gz HRRWYGIRLRYLBF-IRXDYDNUSA-N 2 2 260.425 3.458 20 70 CGIDLP C[C@H](C[NH2+]Cc1ccc(Cl)cc1F)C[NH+]1CCCC1 ZINC000160820393 524488135 /nfs/dbraw/zinc/48/81/35/524488135.db2.gz KQMCGUQBUIGPDL-GFCCVEGCSA-N 2 2 284.806 3.301 20 70 CGIDLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cncs1 ZINC000160473665 525402275 /nfs/dbraw/zinc/40/22/75/525402275.db2.gz DXBTYDVUBOZHMX-GFCCVEGCSA-N 2 2 279.453 3.201 20 70 CGIDLP Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000160212835 372225589 /nfs/dbraw/zinc/22/55/89/372225589.db2.gz SJPKGPYFKXHQQB-GUYCJALGSA-N 2 2 296.418 3.026 20 70 CGIDLP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159838690 281375345 /nfs/dbraw/zinc/37/53/45/281375345.db2.gz HHKRLIPLENNQRG-JKSUJKDBSA-N 2 2 269.392 3.070 20 70 CGIDLP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000159838690 281375349 /nfs/dbraw/zinc/37/53/49/281375349.db2.gz HHKRLIPLENNQRG-JKSUJKDBSA-N 2 2 269.392 3.070 20 70 CGIDLP c1[nH+]c2ccccn2c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000160789951 526609126 /nfs/dbraw/zinc/60/91/26/526609126.db2.gz DNNSBZOSINGDGH-ZFWWWQNUSA-N 2 2 255.365 3.099 20 70 CGIDLP c1[nH+]c2ccccn2c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000160789951 526609132 /nfs/dbraw/zinc/60/91/32/526609132.db2.gz DNNSBZOSINGDGH-ZFWWWQNUSA-N 2 2 255.365 3.099 20 70 CGIDLP Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000160212676 372226565 /nfs/dbraw/zinc/22/65/65/372226565.db2.gz SJPKGPYFKXHQQB-SUMWQHHRSA-N 2 2 296.418 3.026 20 70 CGIDLP CC(C)C[N@@H+]1CCC[C@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000161315785 372316462 /nfs/dbraw/zinc/31/64/62/372316462.db2.gz VULBXRXSKYKIOE-CQSZACIVSA-N 2 2 288.439 3.134 20 70 CGIDLP CC(C)C[N@H+]1CCC[C@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000161315785 372316466 /nfs/dbraw/zinc/31/64/66/372316466.db2.gz VULBXRXSKYKIOE-CQSZACIVSA-N 2 2 288.439 3.134 20 70 CGIDLP CC[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(Cl)c1F ZINC000161480517 522826761 /nfs/dbraw/zinc/82/67/61/522826761.db2.gz KNUFYCXHPBIYFA-CYBMUJFWSA-N 2 2 272.795 3.472 20 70 CGIDLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217643561 376176515 /nfs/dbraw/zinc/17/65/15/376176515.db2.gz NVQLGXPKROHVPR-CABCVRRESA-N 2 2 298.352 3.422 20 70 CGIDLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217643561 376176519 /nfs/dbraw/zinc/17/65/19/376176519.db2.gz NVQLGXPKROHVPR-CABCVRRESA-N 2 2 298.352 3.422 20 70 CGIDLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217677821 376180011 /nfs/dbraw/zinc/18/00/11/376180011.db2.gz LPIUWFRFLIXYKC-XIRDDKMYSA-N 2 2 288.435 3.281 20 70 CGIDLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217677821 376180016 /nfs/dbraw/zinc/18/00/16/376180016.db2.gz LPIUWFRFLIXYKC-XIRDDKMYSA-N 2 2 288.435 3.281 20 70 CGIDLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000161019979 525612938 /nfs/dbraw/zinc/61/29/38/525612938.db2.gz HASNSYCWBQBDHU-UBHSHLNASA-N 2 2 282.378 3.488 20 70 CGIDLP C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159934117 372196003 /nfs/dbraw/zinc/19/60/03/372196003.db2.gz JKPFUKNUCVAVFO-ZBFHGGJFSA-N 2 2 299.418 3.481 20 70 CGIDLP Fc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000161132950 572337869 /nfs/dbraw/zinc/33/78/69/572337869.db2.gz VPGFUDFJOZHUIT-BBRMVZONSA-N 2 2 296.817 3.443 20 70 CGIDLP Fc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000161132950 572337872 /nfs/dbraw/zinc/33/78/72/572337872.db2.gz VPGFUDFJOZHUIT-BBRMVZONSA-N 2 2 296.817 3.443 20 70 CGIDLP c1cn(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c[nH+]1 ZINC000159710307 372172625 /nfs/dbraw/zinc/17/26/25/372172625.db2.gz SJYPGNOWXFLKCY-UHFFFAOYSA-N 2 2 294.402 3.244 20 70 CGIDLP CC[C@@H]([NH2+]CC[N@H+](C)CCOC)c1ccc(Cl)s1 ZINC000159411575 372140918 /nfs/dbraw/zinc/14/09/18/372140918.db2.gz RIQFPYYNNURYSM-LLVKDONJSA-N 2 2 290.860 3.020 20 70 CGIDLP CC[C@@H]([NH2+]CC[N@@H+](C)CCOC)c1ccc(Cl)s1 ZINC000159411575 372140923 /nfs/dbraw/zinc/14/09/23/372140923.db2.gz RIQFPYYNNURYSM-LLVKDONJSA-N 2 2 290.860 3.020 20 70 CGIDLP CC(C)C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000161315924 372316484 /nfs/dbraw/zinc/31/64/84/372316484.db2.gz VULBXRXSKYKIOE-AWEZNQCLSA-N 2 2 288.439 3.134 20 70 CGIDLP CC(C)C[N@H+]1CCC[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000161315924 372316492 /nfs/dbraw/zinc/31/64/92/372316492.db2.gz VULBXRXSKYKIOE-AWEZNQCLSA-N 2 2 288.439 3.134 20 70 CGIDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160983103 530063648 /nfs/dbraw/zinc/06/36/48/530063648.db2.gz GPBQNRVHKFDGEB-NSHDSACASA-N 2 2 290.304 3.028 20 70 CGIDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160983103 530063649 /nfs/dbraw/zinc/06/36/49/530063649.db2.gz GPBQNRVHKFDGEB-NSHDSACASA-N 2 2 290.304 3.028 20 70 CGIDLP C[C@H](c1cc2ccccc2o1)[N@H+](C)CCn1cc[nH+]c1 ZINC000159688720 372169815 /nfs/dbraw/zinc/16/98/15/372169815.db2.gz RPFZJVXRWPWTLQ-CYBMUJFWSA-N 2 2 269.348 3.322 20 70 CGIDLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000159688720 372169820 /nfs/dbraw/zinc/16/98/20/372169820.db2.gz RPFZJVXRWPWTLQ-CYBMUJFWSA-N 2 2 269.348 3.322 20 70 CGIDLP Cc1cccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000159769832 372178766 /nfs/dbraw/zinc/17/87/66/372178766.db2.gz QCTJTFGOBSFXSR-MRXNPFEDSA-N 2 2 255.365 3.029 20 70 CGIDLP Cc1cccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000159769832 372178773 /nfs/dbraw/zinc/17/87/73/372178773.db2.gz QCTJTFGOBSFXSR-MRXNPFEDSA-N 2 2 255.365 3.029 20 70 CGIDLP C[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000161475138 277031561 /nfs/dbraw/zinc/03/15/61/277031561.db2.gz GPCWERTZWQGLLW-HNNXBMFYSA-N 2 2 292.398 3.112 20 70 CGIDLP C[C@@H]1SCC[N@H+](CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000159834584 372185192 /nfs/dbraw/zinc/18/51/92/372185192.db2.gz YXFMJZNZDCUPCO-GOEBONIOSA-N 2 2 287.432 3.062 20 70 CGIDLP C[C@@H]1SCC[N@@H+](CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000159834584 372185195 /nfs/dbraw/zinc/18/51/95/372185195.db2.gz YXFMJZNZDCUPCO-GOEBONIOSA-N 2 2 287.432 3.062 20 70 CGIDLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000217569855 376178095 /nfs/dbraw/zinc/17/80/95/376178095.db2.gz ZMMUNDYXXKULLU-MAUKXSAKSA-N 2 2 284.403 3.300 20 70 CGIDLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000217569855 376178103 /nfs/dbraw/zinc/17/81/03/376178103.db2.gz ZMMUNDYXXKULLU-MAUKXSAKSA-N 2 2 284.403 3.300 20 70 CGIDLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218130286 376185096 /nfs/dbraw/zinc/18/50/96/376185096.db2.gz JUXKBJODIHYYCZ-XIRDDKMYSA-N 2 2 288.435 3.281 20 70 CGIDLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218130286 376185098 /nfs/dbraw/zinc/18/50/98/376185098.db2.gz JUXKBJODIHYYCZ-XIRDDKMYSA-N 2 2 288.435 3.281 20 70 CGIDLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000161441494 526676713 /nfs/dbraw/zinc/67/67/13/526676713.db2.gz WFIMRLDEBCNMQR-LLVKDONJSA-N 2 2 281.469 3.320 20 70 CGIDLP C[C@H]1SCC[N@H+](CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000159834724 291260369 /nfs/dbraw/zinc/26/03/69/291260369.db2.gz YXFMJZNZDCUPCO-ZBFHGGJFSA-N 2 2 287.432 3.062 20 70 CGIDLP C[C@H]1SCC[N@@H+](CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000159834724 291260370 /nfs/dbraw/zinc/26/03/70/291260370.db2.gz YXFMJZNZDCUPCO-ZBFHGGJFSA-N 2 2 287.432 3.062 20 70 CGIDLP CC(C)(C)OCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159721761 372172056 /nfs/dbraw/zinc/17/20/56/372172056.db2.gz DQPOOVBFROOGDF-QGZVFWFLSA-N 2 2 290.451 3.056 20 70 CGIDLP CC(C)(C)OCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000159721761 372172065 /nfs/dbraw/zinc/17/20/65/372172065.db2.gz DQPOOVBFROOGDF-QGZVFWFLSA-N 2 2 290.451 3.056 20 70 CGIDLP c1cn(CC[N@H+](Cc2ccoc2)C2CCCCC2)c[nH+]1 ZINC000159849397 372186892 /nfs/dbraw/zinc/18/68/92/372186892.db2.gz YGKLMBGWFVRIJH-UHFFFAOYSA-N 2 2 273.380 3.311 20 70 CGIDLP c1cn(CC[N@@H+](Cc2ccoc2)C2CCCCC2)c[nH+]1 ZINC000159849397 372186899 /nfs/dbraw/zinc/18/68/99/372186899.db2.gz YGKLMBGWFVRIJH-UHFFFAOYSA-N 2 2 273.380 3.311 20 70 CGIDLP Fc1cc(Cl)ccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000160805551 372276972 /nfs/dbraw/zinc/27/69/72/372276972.db2.gz AVOSETNKPMLSAE-UHFFFAOYSA-N 2 2 281.762 3.246 20 70 CGIDLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000217666624 376177220 /nfs/dbraw/zinc/17/72/20/376177220.db2.gz CVJPDNMNBFYHAI-MAZHCROVSA-N 2 2 292.398 3.112 20 70 CGIDLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000217666624 376177228 /nfs/dbraw/zinc/17/72/28/376177228.db2.gz CVJPDNMNBFYHAI-MAZHCROVSA-N 2 2 292.398 3.112 20 70 CGIDLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(Cl)c1F ZINC000161495805 372329044 /nfs/dbraw/zinc/32/90/44/372329044.db2.gz UQHUZGACLDEPLE-ZDUSSCGKSA-N 2 2 281.762 3.417 20 70 CGIDLP COc1cc(C)[nH+]c(Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000160973758 533704050 /nfs/dbraw/zinc/70/40/50/533704050.db2.gz OSSTXTBMFHBKMP-UHFFFAOYSA-N 2 2 281.359 3.413 20 70 CGIDLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000161441634 526680178 /nfs/dbraw/zinc/68/01/78/526680178.db2.gz WFIMRLDEBCNMQR-NSHDSACASA-N 2 2 281.469 3.320 20 70 CGIDLP C[C@@H]1C[C@H]1C[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000160685221 372268400 /nfs/dbraw/zinc/26/84/00/372268400.db2.gz WVZXQEOMYCYJOE-DQYPLSBCSA-N 2 2 254.377 3.085 20 70 CGIDLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000161455534 372325172 /nfs/dbraw/zinc/32/51/72/372325172.db2.gz ZJCBGBWPQOGQBU-LBPRGKRZSA-N 2 2 296.842 3.484 20 70 CGIDLP Cc1nc(C(C)(C)[NH2+]CCC[NH+]2CCCCC2)sc1C ZINC000161437802 526663454 /nfs/dbraw/zinc/66/34/54/526663454.db2.gz MNMQVIJAUAJXAO-UHFFFAOYSA-N 2 2 295.496 3.461 20 70 CGIDLP CC[C@H]([NH2+]CC[N@H+](C)CCOC)c1ccc(Cl)s1 ZINC000159411440 372140722 /nfs/dbraw/zinc/14/07/22/372140722.db2.gz RIQFPYYNNURYSM-NSHDSACASA-N 2 2 290.860 3.020 20 70 CGIDLP CC[C@H]([NH2+]CC[N@@H+](C)CCOC)c1ccc(Cl)s1 ZINC000159411440 372140724 /nfs/dbraw/zinc/14/07/24/372140724.db2.gz RIQFPYYNNURYSM-NSHDSACASA-N 2 2 290.860 3.020 20 70 CGIDLP C[C@@H](c1ccccc1Cl)[N@H+](C)CCn1cc[nH+]c1 ZINC000159763009 372177533 /nfs/dbraw/zinc/17/75/33/372177533.db2.gz AGQJQPDKWKTKJL-LBPRGKRZSA-N 2 2 263.772 3.230 20 70 CGIDLP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCn1cc[nH+]c1 ZINC000159763009 372177536 /nfs/dbraw/zinc/17/75/36/372177536.db2.gz AGQJQPDKWKTKJL-LBPRGKRZSA-N 2 2 263.772 3.230 20 70 CGIDLP C(C[NH+]1CCCCC1)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000161493870 372329739 /nfs/dbraw/zinc/32/97/39/372329739.db2.gz MODAYSVFLKEXHH-HOTGVXAUSA-N 2 2 282.497 3.222 20 70 CGIDLP C(C[NH+]1CCCCC1)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000161493870 372329742 /nfs/dbraw/zinc/32/97/42/372329742.db2.gz MODAYSVFLKEXHH-HOTGVXAUSA-N 2 2 282.497 3.222 20 70 CGIDLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000217569928 376177867 /nfs/dbraw/zinc/17/78/67/376177867.db2.gz ZMMUNDYXXKULLU-CRAIPNDOSA-N 2 2 284.403 3.300 20 70 CGIDLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000217569928 376177873 /nfs/dbraw/zinc/17/78/73/376177873.db2.gz ZMMUNDYXXKULLU-CRAIPNDOSA-N 2 2 284.403 3.300 20 70 CGIDLP COc1c(C)c[nH+]c(Cn2c(C)[nH+]c3c2CCCC3)c1C ZINC000160736133 542155663 /nfs/dbraw/zinc/15/56/63/542155663.db2.gz FYKHHMPBVFOLEF-UHFFFAOYSA-N 2 2 285.391 3.139 20 70 CGIDLP C[C@@H]1SCC[N@H+](CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000159834871 279072580 /nfs/dbraw/zinc/07/25/80/279072580.db2.gz YXFMJZNZDCUPCO-HOCLYGCPSA-N 2 2 287.432 3.062 20 70 CGIDLP C[C@@H]1SCC[N@@H+](CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000159834871 279072581 /nfs/dbraw/zinc/07/25/81/279072581.db2.gz YXFMJZNZDCUPCO-HOCLYGCPSA-N 2 2 287.432 3.062 20 70 CGIDLP CC[C@H]([NH2+]CCC[NH+](C)C)c1cccc(Cl)c1F ZINC000161480379 522580618 /nfs/dbraw/zinc/58/06/18/522580618.db2.gz KNUFYCXHPBIYFA-ZDUSSCGKSA-N 2 2 272.795 3.472 20 70 CGIDLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000217666794 376176581 /nfs/dbraw/zinc/17/65/81/376176581.db2.gz CVJPDNMNBFYHAI-RCBQFDQVSA-N 2 2 292.398 3.112 20 70 CGIDLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000217666794 376176588 /nfs/dbraw/zinc/17/65/88/376176588.db2.gz CVJPDNMNBFYHAI-RCBQFDQVSA-N 2 2 292.398 3.112 20 70 CGIDLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217643635 376177729 /nfs/dbraw/zinc/17/77/29/376177729.db2.gz NVQLGXPKROHVPR-GJZGRUSLSA-N 2 2 298.352 3.422 20 70 CGIDLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217643635 376177733 /nfs/dbraw/zinc/17/77/33/376177733.db2.gz NVQLGXPKROHVPR-GJZGRUSLSA-N 2 2 298.352 3.422 20 70 CGIDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000217876150 270085397 /nfs/dbraw/zinc/08/53/97/270085397.db2.gz HRRWYGIRLRYLBF-SJORKVTESA-N 2 2 260.425 3.458 20 70 CGIDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000217876150 270085398 /nfs/dbraw/zinc/08/53/98/270085398.db2.gz HRRWYGIRLRYLBF-SJORKVTESA-N 2 2 260.425 3.458 20 70 CGIDLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159838944 372185284 /nfs/dbraw/zinc/18/52/84/372185284.db2.gz HHKRLIPLENNQRG-HZPDHXFCSA-N 2 2 269.392 3.070 20 70 CGIDLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000159838944 372185289 /nfs/dbraw/zinc/18/52/89/372185289.db2.gz HHKRLIPLENNQRG-HZPDHXFCSA-N 2 2 269.392 3.070 20 70 CGIDLP C[C@H](c1ccco1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161299517 372315581 /nfs/dbraw/zinc/31/55/81/372315581.db2.gz WQHFHYROCGHYGM-CQSZACIVSA-N 2 2 250.386 3.148 20 70 CGIDLP C[C@H](c1ccco1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161299517 372315587 /nfs/dbraw/zinc/31/55/87/372315587.db2.gz WQHFHYROCGHYGM-CQSZACIVSA-N 2 2 250.386 3.148 20 70 CGIDLP C[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000161422990 372324146 /nfs/dbraw/zinc/32/41/46/372324146.db2.gz ZNBPCWHSTUKEQM-OAHLLOKOSA-N 2 2 294.826 3.238 20 70 CGIDLP Cc1cccc(N(C)Cc2[nH+]ccn2Cc2ccccc2)[nH+]1 ZINC000159708433 372172035 /nfs/dbraw/zinc/17/20/35/372172035.db2.gz SOCXRUZTKRJGEW-UHFFFAOYSA-N 2 2 292.386 3.271 20 70 CGIDLP Clc1ccccc1C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000159774120 372177571 /nfs/dbraw/zinc/17/75/71/372177571.db2.gz YFVDANGYSNKYQN-HNNXBMFYSA-N 2 2 289.810 3.244 20 70 CGIDLP Clc1ccccc1C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000159774120 372177575 /nfs/dbraw/zinc/17/75/75/372177575.db2.gz YFVDANGYSNKYQN-HNNXBMFYSA-N 2 2 289.810 3.244 20 70 CGIDLP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159838811 372184735 /nfs/dbraw/zinc/18/47/35/372184735.db2.gz HHKRLIPLENNQRG-HOTGVXAUSA-N 2 2 269.392 3.070 20 70 CGIDLP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000159838811 372184741 /nfs/dbraw/zinc/18/47/41/372184741.db2.gz HHKRLIPLENNQRG-HOTGVXAUSA-N 2 2 269.392 3.070 20 70 CGIDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000217659692 376176226 /nfs/dbraw/zinc/17/62/26/376176226.db2.gz CULWOIYAUWPDEH-KSZLIROESA-N 2 2 288.435 3.363 20 70 CGIDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000217659692 376176230 /nfs/dbraw/zinc/17/62/30/376176230.db2.gz CULWOIYAUWPDEH-KSZLIROESA-N 2 2 288.435 3.363 20 70 CGIDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000217876393 270085479 /nfs/dbraw/zinc/08/54/79/270085479.db2.gz JRPALIGFNOLCPH-SJORKVTESA-N 2 2 276.399 3.351 20 70 CGIDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000217876393 270085480 /nfs/dbraw/zinc/08/54/80/270085480.db2.gz JRPALIGFNOLCPH-SJORKVTESA-N 2 2 276.399 3.351 20 70 CGIDLP c1cn(CC[N@@H+]2CCC[C@H]2CC2CCCCC2)c[nH+]1 ZINC000159784693 372179638 /nfs/dbraw/zinc/17/96/38/372179638.db2.gz WJLZRXSJMPTMGB-INIZCTEOSA-N 2 2 261.413 3.318 20 70 CGIDLP c1cn(CC[N@H+]2CCC[C@H]2CC2CCCCC2)c[nH+]1 ZINC000159784693 372179642 /nfs/dbraw/zinc/17/96/42/372179642.db2.gz WJLZRXSJMPTMGB-INIZCTEOSA-N 2 2 261.413 3.318 20 70 CGIDLP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)C[NH+]1CCCC1 ZINC000160820275 524741596 /nfs/dbraw/zinc/74/15/96/524741596.db2.gz KQMCGUQBUIGPDL-LBPRGKRZSA-N 2 2 284.806 3.301 20 70 CGIDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1Cl ZINC000159739936 372173805 /nfs/dbraw/zinc/17/38/05/372173805.db2.gz OMYAMCAINXIRCX-UHFFFAOYSA-N 2 2 263.772 3.059 20 70 CGIDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1Cl ZINC000159739936 372173811 /nfs/dbraw/zinc/17/38/11/372173811.db2.gz OMYAMCAINXIRCX-UHFFFAOYSA-N 2 2 263.772 3.059 20 70 CGIDLP CCc1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)cc1 ZINC000159742366 372176409 /nfs/dbraw/zinc/17/64/09/372176409.db2.gz SBOPEGTXMGARGE-UHFFFAOYSA-N 2 2 269.392 3.110 20 70 CGIDLP CCc1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)cc1 ZINC000159742366 372176417 /nfs/dbraw/zinc/17/64/17/372176417.db2.gz SBOPEGTXMGARGE-UHFFFAOYSA-N 2 2 269.392 3.110 20 70 CGIDLP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217500115 296231821 /nfs/dbraw/zinc/23/18/21/296231821.db2.gz BABCLJOAWKHQDX-SUMWQHHRSA-N 2 2 254.377 3.324 20 70 CGIDLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217500115 296231822 /nfs/dbraw/zinc/23/18/22/296231822.db2.gz BABCLJOAWKHQDX-SUMWQHHRSA-N 2 2 254.377 3.324 20 70 CGIDLP C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1C(F)(F)F ZINC000159711254 372172558 /nfs/dbraw/zinc/17/25/58/372172558.db2.gz IPTCAYYNDOQBIY-UHFFFAOYSA-N 2 2 283.297 3.034 20 70 CGIDLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1C(F)(F)F ZINC000159711254 372172564 /nfs/dbraw/zinc/17/25/64/372172564.db2.gz IPTCAYYNDOQBIY-UHFFFAOYSA-N 2 2 283.297 3.034 20 70 CGIDLP c1[nH+]c2ccccn2c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000160789764 526609496 /nfs/dbraw/zinc/60/94/96/526609496.db2.gz DNNSBZOSINGDGH-HIFRSBDPSA-N 2 2 255.365 3.099 20 70 CGIDLP c1[nH+]c2ccccn2c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000160789764 526609498 /nfs/dbraw/zinc/60/94/98/526609498.db2.gz DNNSBZOSINGDGH-HIFRSBDPSA-N 2 2 255.365 3.099 20 70 CGIDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccco2)[C@H](C)C1 ZINC000160172564 372220487 /nfs/dbraw/zinc/22/04/87/372220487.db2.gz WVXVXZNAYDPYFB-PMPSAXMXSA-N 2 2 294.439 3.067 20 70 CGIDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccco2)[C@H](C)C1 ZINC000160172564 372220493 /nfs/dbraw/zinc/22/04/93/372220493.db2.gz WVXVXZNAYDPYFB-PMPSAXMXSA-N 2 2 294.439 3.067 20 70 CGIDLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000160760753 372273834 /nfs/dbraw/zinc/27/38/34/372273834.db2.gz VNTFYAMOJWYLKX-UHFFFAOYSA-N 2 2 282.790 3.196 20 70 CGIDLP CCOc1ccc(C[N@H+](CC)CCCn2cc[nH+]c2)cc1 ZINC000161246811 372312845 /nfs/dbraw/zinc/31/28/45/372312845.db2.gz YNYUGGSRWSJQHT-UHFFFAOYSA-N 2 2 287.407 3.194 20 70 CGIDLP CCOc1ccc(C[N@@H+](CC)CCCn2cc[nH+]c2)cc1 ZINC000161246811 372312852 /nfs/dbraw/zinc/31/28/52/372312852.db2.gz YNYUGGSRWSJQHT-UHFFFAOYSA-N 2 2 287.407 3.194 20 70 CGIDLP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000161437760 522813343 /nfs/dbraw/zinc/81/33/43/522813343.db2.gz BJTYSHNLFQQBMB-OAHLLOKOSA-N 2 2 296.842 3.484 20 70 CGIDLP Cc1[nH+]cc(C[NH2+][C@H]2CCOC(C)(C)C2)n1-c1ccccc1 ZINC000160528436 534747064 /nfs/dbraw/zinc/74/70/64/534747064.db2.gz YWRNETGYBYIWNZ-HNNXBMFYSA-N 2 2 299.418 3.228 20 70 CGIDLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000161428378 372324057 /nfs/dbraw/zinc/32/40/57/372324057.db2.gz DSEREDKZRZCJDP-LBPRGKRZSA-N 2 2 298.377 3.341 20 70 CGIDLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(Cl)c1F ZINC000161495920 372329112 /nfs/dbraw/zinc/32/91/12/372329112.db2.gz UQHUZGACLDEPLE-CYBMUJFWSA-N 2 2 281.762 3.417 20 70 CGIDLP C[C@@H]1C[C@@H]1C[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000160684997 372267953 /nfs/dbraw/zinc/26/79/53/372267953.db2.gz WVZXQEOMYCYJOE-JLZZUVOBSA-N 2 2 254.377 3.085 20 70 CGIDLP CC[C@](C)([NH2+]CCC[NH+]1CCCCC1)c1nccs1 ZINC000161433406 523489052 /nfs/dbraw/zinc/48/90/52/523489052.db2.gz ZKXWHELOLMELNX-HNNXBMFYSA-N 2 2 281.469 3.234 20 70 CGIDLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cncs1 ZINC000160473527 525294830 /nfs/dbraw/zinc/29/48/30/525294830.db2.gz DXBTYDVUBOZHMX-LBPRGKRZSA-N 2 2 279.453 3.201 20 70 CGIDLP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1Cl ZINC000161047975 296163753 /nfs/dbraw/zinc/16/37/53/296163753.db2.gz ZCNHJGPIAFKNQF-AGIUHOORSA-N 2 2 281.831 3.258 20 70 CGIDLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000218572783 392998477 /nfs/dbraw/zinc/99/84/77/392998477.db2.gz VBGZPOZSATUDMU-SJLPKXTDSA-N 2 2 270.420 3.207 20 70 CGIDLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000218572783 392998479 /nfs/dbraw/zinc/99/84/79/392998479.db2.gz VBGZPOZSATUDMU-SJLPKXTDSA-N 2 2 270.420 3.207 20 70 CGIDLP Cc1[nH+]c2ccccn2c1C[NH+]1CCc2ccccc2CC1 ZINC000160471720 372250111 /nfs/dbraw/zinc/25/01/11/372250111.db2.gz DMXMNTYWCNVCIR-UHFFFAOYSA-N 2 2 291.398 3.244 20 70 CGIDLP Fc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160767165 372272786 /nfs/dbraw/zinc/27/27/86/372272786.db2.gz PYWMDGZXFRPDPM-NSHDSACASA-N 2 2 282.790 3.053 20 70 CGIDLP Fc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000160767165 372272792 /nfs/dbraw/zinc/27/27/92/372272792.db2.gz PYWMDGZXFRPDPM-NSHDSACASA-N 2 2 282.790 3.053 20 70 CGIDLP C[C@H](C[NH2+]C(C1CC1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000160860165 372283362 /nfs/dbraw/zinc/28/33/62/372283362.db2.gz MVCATLMQDYYJRE-CQSZACIVSA-N 2 2 272.436 3.285 20 70 CGIDLP C[C@H](C[NH2+]C(C1CC1)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000160860165 372283369 /nfs/dbraw/zinc/28/33/69/372283369.db2.gz MVCATLMQDYYJRE-CQSZACIVSA-N 2 2 272.436 3.285 20 70 CGIDLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217659495 392994467 /nfs/dbraw/zinc/99/44/67/392994467.db2.gz VFEWUDXRCXHVIO-XIRDDKMYSA-N 2 2 288.435 3.363 20 70 CGIDLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217659495 392994473 /nfs/dbraw/zinc/99/44/73/392994473.db2.gz VFEWUDXRCXHVIO-XIRDDKMYSA-N 2 2 288.435 3.363 20 70 CGIDLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000218060499 277026734 /nfs/dbraw/zinc/02/67/34/277026734.db2.gz OHIQYUGQUHVWBF-RYUDHWBXSA-N 2 2 284.806 3.472 20 70 CGIDLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000218060499 277026735 /nfs/dbraw/zinc/02/67/35/277026735.db2.gz OHIQYUGQUHVWBF-RYUDHWBXSA-N 2 2 284.806 3.472 20 70 CGIDLP Clc1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)cc1 ZINC000159760139 372176019 /nfs/dbraw/zinc/17/60/19/372176019.db2.gz LEYZAPOCYVQAAM-UHFFFAOYSA-N 2 2 275.783 3.201 20 70 CGIDLP Clc1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)cc1 ZINC000159760139 372176025 /nfs/dbraw/zinc/17/60/25/372176025.db2.gz LEYZAPOCYVQAAM-UHFFFAOYSA-N 2 2 275.783 3.201 20 70 CGIDLP Cc1nc(NC(C)(C)C[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000159759283 372176641 /nfs/dbraw/zinc/17/66/41/372176641.db2.gz QXJNBWQVUBLEFK-UHFFFAOYSA-N 2 2 284.407 3.108 20 70 CGIDLP Cc1nc(NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000159759283 372176649 /nfs/dbraw/zinc/17/66/49/372176649.db2.gz QXJNBWQVUBLEFK-UHFFFAOYSA-N 2 2 284.407 3.108 20 70 CGIDLP Clc1ccccc1C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000159774262 372177754 /nfs/dbraw/zinc/17/77/54/372177754.db2.gz YFVDANGYSNKYQN-OAHLLOKOSA-N 2 2 289.810 3.244 20 70 CGIDLP Clc1ccccc1C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000159774262 372177760 /nfs/dbraw/zinc/17/77/60/372177760.db2.gz YFVDANGYSNKYQN-OAHLLOKOSA-N 2 2 289.810 3.244 20 70 CGIDLP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159839082 372184836 /nfs/dbraw/zinc/18/48/36/372184836.db2.gz HHKRLIPLENNQRG-CVEARBPZSA-N 2 2 269.392 3.070 20 70 CGIDLP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000159839082 372184841 /nfs/dbraw/zinc/18/48/41/372184841.db2.gz HHKRLIPLENNQRG-CVEARBPZSA-N 2 2 269.392 3.070 20 70 CGIDLP C[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000161423118 372323428 /nfs/dbraw/zinc/32/34/28/372323428.db2.gz ZNBPCWHSTUKEQM-HNNXBMFYSA-N 2 2 294.826 3.238 20 70 CGIDLP CCCn1nccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000160105326 542153334 /nfs/dbraw/zinc/15/33/34/542153334.db2.gz BMHQKBXPLRAAJZ-UHFFFAOYSA-N 2 2 292.471 3.037 20 70 CGIDLP CCCn1nccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000160105326 542153338 /nfs/dbraw/zinc/15/33/38/542153338.db2.gz BMHQKBXPLRAAJZ-UHFFFAOYSA-N 2 2 292.471 3.037 20 70 CGIDLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217677649 295109749 /nfs/dbraw/zinc/10/97/49/295109749.db2.gz LPIUWFRFLIXYKC-UAGQMJEPSA-N 2 2 288.435 3.281 20 70 CGIDLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217677649 295109751 /nfs/dbraw/zinc/10/97/51/295109751.db2.gz LPIUWFRFLIXYKC-UAGQMJEPSA-N 2 2 288.435 3.281 20 70 CGIDLP c1[nH+]c2ccccn2c1C[NH+]1CCC2(CCCC2)CC1 ZINC000160553115 526609958 /nfs/dbraw/zinc/60/99/58/526609958.db2.gz ARJSFYIBCWMXHZ-UHFFFAOYSA-N 2 2 269.392 3.491 20 70 CGIDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160982964 530057793 /nfs/dbraw/zinc/05/77/93/530057793.db2.gz GPBQNRVHKFDGEB-LLVKDONJSA-N 2 2 290.304 3.028 20 70 CGIDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160982964 530057794 /nfs/dbraw/zinc/05/77/94/530057794.db2.gz GPBQNRVHKFDGEB-LLVKDONJSA-N 2 2 290.304 3.028 20 70 CGIDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000217658295 376176303 /nfs/dbraw/zinc/17/63/03/376176303.db2.gz XWSBBBUZGYGNSM-XZJROXQQSA-N 2 2 280.362 3.242 20 70 CGIDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000217658295 376176312 /nfs/dbraw/zinc/17/63/12/376176312.db2.gz XWSBBBUZGYGNSM-XZJROXQQSA-N 2 2 280.362 3.242 20 70 CGIDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000217696461 278274622 /nfs/dbraw/zinc/27/46/22/278274622.db2.gz AUDJPNAJVXHOJZ-MAZHCROVSA-N 2 2 262.372 3.103 20 70 CGIDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000217696461 278274624 /nfs/dbraw/zinc/27/46/24/278274624.db2.gz AUDJPNAJVXHOJZ-MAZHCROVSA-N 2 2 262.372 3.103 20 70 CGIDLP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000161020130 525679805 /nfs/dbraw/zinc/67/98/05/525679805.db2.gz HASNSYCWBQBDHU-XBFCOCLRSA-N 2 2 282.378 3.488 20 70 CGIDLP c1cn(CC[N@@H+]2CCC[C@@H]2CC2CCCCC2)c[nH+]1 ZINC000159784570 372179377 /nfs/dbraw/zinc/17/93/77/372179377.db2.gz WJLZRXSJMPTMGB-MRXNPFEDSA-N 2 2 261.413 3.318 20 70 CGIDLP c1cn(CC[N@H+]2CCC[C@@H]2CC2CCCCC2)c[nH+]1 ZINC000159784570 372179380 /nfs/dbraw/zinc/17/93/80/372179380.db2.gz WJLZRXSJMPTMGB-MRXNPFEDSA-N 2 2 261.413 3.318 20 70 CGIDLP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000159836418 372184787 /nfs/dbraw/zinc/18/47/87/372184787.db2.gz QZRULECNEIFAHU-CYBMUJFWSA-N 2 2 277.799 3.100 20 70 CGIDLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000159836418 372184794 /nfs/dbraw/zinc/18/47/94/372184794.db2.gz QZRULECNEIFAHU-CYBMUJFWSA-N 2 2 277.799 3.100 20 70 CGIDLP C(C[NH+]1CCCCC1)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000161493998 518386005 /nfs/dbraw/zinc/38/60/05/518386005.db2.gz MODAYSVFLKEXHH-JKSUJKDBSA-N 2 2 282.497 3.222 20 70 CGIDLP C(C[NH+]1CCCCC1)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000161493998 518386012 /nfs/dbraw/zinc/38/60/12/518386012.db2.gz MODAYSVFLKEXHH-JKSUJKDBSA-N 2 2 282.497 3.222 20 70 CGIDLP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217500199 278309591 /nfs/dbraw/zinc/30/95/91/278309591.db2.gz BABCLJOAWKHQDX-CXAGYDPISA-N 2 2 254.377 3.324 20 70 CGIDLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217500199 278309592 /nfs/dbraw/zinc/30/95/92/278309592.db2.gz BABCLJOAWKHQDX-CXAGYDPISA-N 2 2 254.377 3.324 20 70 CGIDLP C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159933995 372195930 /nfs/dbraw/zinc/19/59/30/372195930.db2.gz JKPFUKNUCVAVFO-HOCLYGCPSA-N 2 2 299.418 3.481 20 70 CGIDLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217643934 392993864 /nfs/dbraw/zinc/99/38/64/392993864.db2.gz IZDOPOAWVGNWJP-CABCVRRESA-N 2 2 298.352 3.422 20 70 CGIDLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217643934 392993868 /nfs/dbraw/zinc/99/38/68/392993868.db2.gz IZDOPOAWVGNWJP-CABCVRRESA-N 2 2 298.352 3.422 20 70 CGIDLP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1Cl ZINC000161047758 372298578 /nfs/dbraw/zinc/29/85/78/372298578.db2.gz ZCNHJGPIAFKNQF-UPJWGTAASA-N 2 2 281.831 3.258 20 70 CGIDLP