smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1O ZINC000079438491 399045266 /nfs/dbraw/zinc/04/52/66/399045266.db2.gz XMWPZNRZKMGPRS-LBPRGKRZSA-N 2 2 317.364 2.837 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1O ZINC000079438491 399045273 /nfs/dbraw/zinc/04/52/73/399045273.db2.gz XMWPZNRZKMGPRS-LBPRGKRZSA-N 2 2 317.364 2.837 20 10 DFCDLP COc1ccc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1C ZINC000275530623 130329672 /nfs/dbraw/zinc/32/96/72/130329672.db2.gz LWPKQHOJVYOKBB-YJBOKZPZSA-N 2 2 315.417 2.747 20 10 DFCDLP COc1cccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c1O ZINC000074336825 426046835 /nfs/dbraw/zinc/04/68/35/426046835.db2.gz CYBCDUHTTUABDO-UHFFFAOYSA-N 2 2 311.385 2.849 20 10 DFCDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859542 427466301 /nfs/dbraw/zinc/46/63/01/427466301.db2.gz IFLIOMKNDVWNGD-HZMBPMFUSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859542 427466309 /nfs/dbraw/zinc/46/63/09/427466309.db2.gz IFLIOMKNDVWNGD-HZMBPMFUSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859542 427466315 /nfs/dbraw/zinc/46/63/15/427466315.db2.gz IFLIOMKNDVWNGD-HZMBPMFUSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859542 427466321 /nfs/dbraw/zinc/46/63/21/427466321.db2.gz IFLIOMKNDVWNGD-HZMBPMFUSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@H]([NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccccc1O ZINC000278875000 427483466 /nfs/dbraw/zinc/48/34/66/427483466.db2.gz CCIIOILBUYIVGD-GDZNZVCISA-N 2 2 301.390 2.697 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000362310496 428699701 /nfs/dbraw/zinc/69/97/01/428699701.db2.gz RUYSEBYIKFAGEP-ZYSHUDEJSA-N 2 2 317.477 2.657 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000362310496 428699706 /nfs/dbraw/zinc/69/97/06/428699706.db2.gz RUYSEBYIKFAGEP-ZYSHUDEJSA-N 2 2 317.477 2.657 20 10 DFCDLP CC1([NH+]2CCOCC2)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000529663292 430047844 /nfs/dbraw/zinc/04/78/44/430047844.db2.gz JBSIVESIWWZRCD-UHFFFAOYSA-N 2 2 324.852 2.732 20 10 DFCDLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1O ZINC000368478743 336845654 /nfs/dbraw/zinc/84/56/54/336845654.db2.gz VVMWTNIMQPZRFR-LBPRGKRZSA-N 2 2 303.381 2.957 20 10 DFCDLP CCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000376045743 337025870 /nfs/dbraw/zinc/02/58/70/337025870.db2.gz OSDRAHZZWKEPMH-HNNXBMFYSA-N 2 2 315.417 2.904 20 10 DFCDLP CCOc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000376045743 337025871 /nfs/dbraw/zinc/02/58/71/337025871.db2.gz OSDRAHZZWKEPMH-HNNXBMFYSA-N 2 2 315.417 2.904 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000376894878 337043357 /nfs/dbraw/zinc/04/33/57/337043357.db2.gz UYVZZRLPMVKMKF-HRCADAONSA-N 2 2 304.434 2.605 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000376894878 337043358 /nfs/dbraw/zinc/04/33/58/337043358.db2.gz UYVZZRLPMVKMKF-HRCADAONSA-N 2 2 304.434 2.605 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1O ZINC000376900388 337043472 /nfs/dbraw/zinc/04/34/72/337043472.db2.gz ZMLOYEZCNJRLGR-XEZPLFJOSA-N 2 2 324.852 2.950 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1O ZINC000376900388 337043473 /nfs/dbraw/zinc/04/34/73/337043473.db2.gz ZMLOYEZCNJRLGR-XEZPLFJOSA-N 2 2 324.852 2.950 20 10 DFCDLP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000367703998 521148875 /nfs/dbraw/zinc/14/88/75/521148875.db2.gz OEPVCZMHXZOQFG-ZDUSSCGKSA-N 2 2 301.390 2.514 20 10 DFCDLP CCOc1ccc(O)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000367703998 521148885 /nfs/dbraw/zinc/14/88/85/521148885.db2.gz OEPVCZMHXZOQFG-ZDUSSCGKSA-N 2 2 301.390 2.514 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180614890 524740963 /nfs/dbraw/zinc/74/09/63/524740963.db2.gz ZYRJLFONWBQFIR-OAHLLOKOSA-N 2 2 301.390 2.570 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180614890 524740970 /nfs/dbraw/zinc/74/09/70/524740970.db2.gz ZYRJLFONWBQFIR-OAHLLOKOSA-N 2 2 301.390 2.570 20 10 DFCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000272373227 130024968 /nfs/dbraw/zinc/02/49/68/130024968.db2.gz GXOQCVVMBLJWAW-DYVFJYSZSA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000272373227 130024970 /nfs/dbraw/zinc/02/49/70/130024970.db2.gz GXOQCVVMBLJWAW-DYVFJYSZSA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000272373227 130024973 /nfs/dbraw/zinc/02/49/73/130024973.db2.gz GXOQCVVMBLJWAW-DYVFJYSZSA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000272373227 130024978 /nfs/dbraw/zinc/02/49/78/130024978.db2.gz GXOQCVVMBLJWAW-DYVFJYSZSA-N 2 2 304.409 2.980 20 10 DFCDLP CC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000168305715 426134873 /nfs/dbraw/zinc/13/48/73/426134873.db2.gz FQTUTSVQQYQRCV-GOSISDBHSA-N 2 2 319.493 2.904 20 10 DFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000129909968 426141328 /nfs/dbraw/zinc/14/13/28/426141328.db2.gz AMQUTGMLBHLQDZ-INIZCTEOSA-N 2 2 305.441 2.809 20 10 DFCDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000129909968 426141329 /nfs/dbraw/zinc/14/13/29/426141329.db2.gz AMQUTGMLBHLQDZ-INIZCTEOSA-N 2 2 305.441 2.809 20 10 DFCDLP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000153151711 426372983 /nfs/dbraw/zinc/37/29/83/426372983.db2.gz ITOGADOGXDXDJW-IAGOWNOFSA-N 2 2 319.493 2.762 20 10 DFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C3CC3)CC2)cc1 ZINC000177189930 426451910 /nfs/dbraw/zinc/45/19/10/426451910.db2.gz IIZSNBVEINQUCN-INIZCTEOSA-N 2 2 317.477 2.595 20 10 DFCDLP C[C@H]([NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccccc1O ZINC000278874992 427484086 /nfs/dbraw/zinc/48/40/86/427484086.db2.gz CCIIOILBUYIVGD-AHIWAGSCSA-N 2 2 301.390 2.697 20 10 DFCDLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)cc1O ZINC000184843011 427548352 /nfs/dbraw/zinc/54/83/52/427548352.db2.gz QJNFHQXBLXZEOG-SNVBAGLBSA-N 2 2 301.228 2.757 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000376894875 337043352 /nfs/dbraw/zinc/04/33/52/337043352.db2.gz UYVZZRLPMVKMKF-ARFHVFGLSA-N 2 2 304.434 2.605 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000376894875 337043353 /nfs/dbraw/zinc/04/33/53/337043353.db2.gz UYVZZRLPMVKMKF-ARFHVFGLSA-N 2 2 304.434 2.605 20 10 DFCDLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc(F)ccc1O ZINC000184989840 337202179 /nfs/dbraw/zinc/20/21/79/337202179.db2.gz PVDPBVDKHIYYQQ-GFCCVEGCSA-N 2 2 312.348 2.963 20 10 DFCDLP CCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O ZINC000180125849 521338971 /nfs/dbraw/zinc/33/89/71/521338971.db2.gz MENGTYUTAYCRFY-MRXNPFEDSA-N 2 2 315.417 2.960 20 10 DFCDLP CCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O ZINC000180125849 521338979 /nfs/dbraw/zinc/33/89/79/521338979.db2.gz MENGTYUTAYCRFY-MRXNPFEDSA-N 2 2 315.417 2.960 20 10 DFCDLP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1O ZINC000278864797 296129435 /nfs/dbraw/zinc/12/94/35/296129435.db2.gz BEUYGCARMUHXQI-MNOVXSKESA-N 2 2 307.344 2.780 20 10 DFCDLP CC[N@H+](CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000155852887 425928559 /nfs/dbraw/zinc/92/85/59/425928559.db2.gz NHZRPKIHJGHOBN-UHFFFAOYSA-N 2 2 317.477 2.738 20 10 DFCDLP CC[N@@H+](CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000155852887 425928563 /nfs/dbraw/zinc/92/85/63/425928563.db2.gz NHZRPKIHJGHOBN-UHFFFAOYSA-N 2 2 317.477 2.738 20 10 DFCDLP CN1CCc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc21 ZINC000126661373 426031323 /nfs/dbraw/zinc/03/13/23/426031323.db2.gz DYCRKVMRTHJLTO-UHFFFAOYSA-N 2 2 322.456 2.833 20 10 DFCDLP CC[N@@H+]1CCC[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000133027565 426171684 /nfs/dbraw/zinc/17/16/84/426171684.db2.gz JMHUZKXRAICESO-KRWDZBQOSA-N 2 2 317.477 2.738 20 10 DFCDLP CC[N@H+]1CCC[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000133027565 426171687 /nfs/dbraw/zinc/17/16/87/426171687.db2.gz JMHUZKXRAICESO-KRWDZBQOSA-N 2 2 317.477 2.738 20 10 DFCDLP CN(C)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000078969094 426188178 /nfs/dbraw/zinc/18/81/78/426188178.db2.gz AGRTZANEICNXRC-UHFFFAOYSA-N 2 2 310.445 2.906 20 10 DFCDLP COc1ccc(O)c(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000289814532 426675362 /nfs/dbraw/zinc/67/53/62/426675362.db2.gz NTUYLYZNZBZRSX-UHFFFAOYSA-N 2 2 318.417 2.948 20 10 DFCDLP COc1ccc(O)c(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000289814532 426675366 /nfs/dbraw/zinc/67/53/66/426675366.db2.gz NTUYLYZNZBZRSX-UHFFFAOYSA-N 2 2 318.417 2.948 20 10 DFCDLP COc1ccc(O)c(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000289814532 426675370 /nfs/dbraw/zinc/67/53/70/426675370.db2.gz NTUYLYZNZBZRSX-UHFFFAOYSA-N 2 2 318.417 2.948 20 10 DFCDLP COc1ccc(O)c(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000289814532 426675373 /nfs/dbraw/zinc/67/53/73/426675373.db2.gz NTUYLYZNZBZRSX-UHFFFAOYSA-N 2 2 318.417 2.948 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293093520 427214926 /nfs/dbraw/zinc/21/49/26/427214926.db2.gz XEQAGGPTIYODED-GOSISDBHSA-N 2 2 320.408 2.652 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293093520 427214933 /nfs/dbraw/zinc/21/49/33/427214933.db2.gz XEQAGGPTIYODED-GOSISDBHSA-N 2 2 320.408 2.652 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1O ZINC000293093520 427214949 /nfs/dbraw/zinc/21/49/49/427214949.db2.gz XEQAGGPTIYODED-GOSISDBHSA-N 2 2 320.408 2.652 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1O ZINC000293093520 427214952 /nfs/dbraw/zinc/21/49/52/427214952.db2.gz XEQAGGPTIYODED-GOSISDBHSA-N 2 2 320.408 2.652 20 10 DFCDLP C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)C[NH+]1CCOCC1 ZINC000185504699 427664027 /nfs/dbraw/zinc/66/40/27/427664027.db2.gz VPXWTQNHRUAITK-CHWSQXEVSA-N 2 2 312.841 2.665 20 10 DFCDLP Oc1ccc(Br)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370728450 428285699 /nfs/dbraw/zinc/28/56/99/428285699.db2.gz AUNWIWUOVCJLDB-NSHDSACASA-N 2 2 322.206 2.525 20 10 DFCDLP Oc1ccc(Br)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370728450 428285703 /nfs/dbraw/zinc/28/57/03/428285703.db2.gz AUNWIWUOVCJLDB-NSHDSACASA-N 2 2 322.206 2.525 20 10 DFCDLP COc1ccc(O)c(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1 ZINC000371419581 428390030 /nfs/dbraw/zinc/39/00/30/428390030.db2.gz VJIMVBSLVJSTSI-AWEZNQCLSA-N 2 2 304.434 2.850 20 10 DFCDLP COc1ccc(O)c(C[NH+]2CCC([N@H+]3CCC[C@@H]3C)CC2)c1 ZINC000371419581 428390034 /nfs/dbraw/zinc/39/00/34/428390034.db2.gz VJIMVBSLVJSTSI-AWEZNQCLSA-N 2 2 304.434 2.850 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c(O)c1 ZINC000371870276 428407055 /nfs/dbraw/zinc/40/70/55/428407055.db2.gz OXWJLLLDYPOIDH-JZXOWHBKSA-N 2 2 318.461 2.852 20 10 DFCDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000374898307 428779617 /nfs/dbraw/zinc/77/96/17/428779617.db2.gz QYXMJBIWZYLMPT-UHFFFAOYSA-N 2 2 303.381 2.720 20 10 DFCDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(F)cc1O ZINC000363848334 428998129 /nfs/dbraw/zinc/99/81/29/428998129.db2.gz FJAQNMIAXWYCKR-GFCCVEGCSA-N 2 2 312.348 2.963 20 10 DFCDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cc(F)ccc1O ZINC000363855233 428999539 /nfs/dbraw/zinc/99/95/39/428999539.db2.gz NDFWXRLUDUVYNI-LBPRGKRZSA-N 2 2 312.348 2.963 20 10 DFCDLP C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367667078 429695395 /nfs/dbraw/zinc/69/53/95/429695395.db2.gz AAMTXQUMKPXRKL-GFCCVEGCSA-N 2 2 305.809 2.937 20 10 DFCDLP C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367667078 429695399 /nfs/dbraw/zinc/69/53/99/429695399.db2.gz AAMTXQUMKPXRKL-GFCCVEGCSA-N 2 2 305.809 2.937 20 10 DFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1O ZINC000367757465 429712179 /nfs/dbraw/zinc/71/21/79/429712179.db2.gz ZIDNTMSAUGGCSQ-BMFZPTHFSA-N 2 2 324.852 2.729 20 10 DFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1O ZINC000367757465 429712184 /nfs/dbraw/zinc/71/21/84/429712184.db2.gz ZIDNTMSAUGGCSQ-BMFZPTHFSA-N 2 2 324.852 2.729 20 10 DFCDLP CCCOc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(O)c1 ZINC000368136249 429794963 /nfs/dbraw/zinc/79/49/63/429794963.db2.gz UGDBREWEWAHEEB-OAHLLOKOSA-N 2 2 315.417 2.904 20 10 DFCDLP CCCOc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(O)c1 ZINC000368136249 429794966 /nfs/dbraw/zinc/79/49/66/429794966.db2.gz UGDBREWEWAHEEB-OAHLLOKOSA-N 2 2 315.417 2.904 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1O ZINC000369349886 429929050 /nfs/dbraw/zinc/92/90/50/429929050.db2.gz PAFKFRPAVXWYJL-UHFFFAOYSA-N 2 2 317.364 2.837 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000368477086 336845733 /nfs/dbraw/zinc/84/57/33/336845733.db2.gz BJKLSCVKYFJBAX-ZDUSSCGKSA-N 2 2 315.417 2.827 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000371869114 336915222 /nfs/dbraw/zinc/91/52/22/336915222.db2.gz DGLKVNPVSIBZSS-ZQIUZPCESA-N 2 2 322.424 2.683 20 10 DFCDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)C2 ZINC000375580618 337013840 /nfs/dbraw/zinc/01/38/40/337013840.db2.gz ZLJQSZVBPOGHHU-WDEREUQCSA-N 2 2 307.344 2.841 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(F)cc1O ZINC000375895367 337022457 /nfs/dbraw/zinc/02/24/57/337022457.db2.gz LUJKQUNKALZNQQ-VYDXJSESSA-N 2 2 322.424 2.825 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(F)cc1O ZINC000375895367 337022458 /nfs/dbraw/zinc/02/24/58/337022458.db2.gz LUJKQUNKALZNQQ-VYDXJSESSA-N 2 2 322.424 2.825 20 10 DFCDLP CCOc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1O ZINC000376730559 337040168 /nfs/dbraw/zinc/04/01/68/337040168.db2.gz YMTRPEYHZJHKMX-UHFFFAOYSA-N 2 2 301.390 2.614 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000184697723 337199881 /nfs/dbraw/zinc/19/98/81/337199881.db2.gz JEQMFMPPABASHY-ZDUSSCGKSA-N 2 2 324.852 2.972 20 10 DFCDLP COc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000184728612 337200188 /nfs/dbraw/zinc/20/01/88/337200188.db2.gz CMMLFKDOBSHMJV-AWEZNQCLSA-N 2 2 315.417 2.589 20 10 DFCDLP COc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000184728612 337200189 /nfs/dbraw/zinc/20/01/89/337200189.db2.gz CMMLFKDOBSHMJV-AWEZNQCLSA-N 2 2 315.417 2.589 20 10 DFCDLP Oc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178583 340781765 /nfs/dbraw/zinc/78/17/65/340781765.db2.gz OPXRSUIIDHAVAS-ZDUSSCGKSA-N 2 2 311.223 2.529 20 10 DFCDLP Oc1c(Cl)cccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249843 340783867 /nfs/dbraw/zinc/78/38/67/340783867.db2.gz ZCGLETAREBLKBJ-OAHLLOKOSA-N 2 2 324.852 2.636 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000247882192 341370976 /nfs/dbraw/zinc/37/09/76/341370976.db2.gz BZFXTLZLVUWSMC-SUMWQHHRSA-N 2 2 320.408 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000247882192 341370977 /nfs/dbraw/zinc/37/09/77/341370977.db2.gz BZFXTLZLVUWSMC-SUMWQHHRSA-N 2 2 320.408 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000247882192 341370978 /nfs/dbraw/zinc/37/09/78/341370978.db2.gz BZFXTLZLVUWSMC-SUMWQHHRSA-N 2 2 320.408 2.650 20 10 DFCDLP CCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1O ZINC000092072339 398556319 /nfs/dbraw/zinc/55/63/19/398556319.db2.gz ITDIVEUVIIZTEN-AWEZNQCLSA-N 2 2 301.390 2.894 20 10 DFCDLP CCOc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1O ZINC000092072339 398556322 /nfs/dbraw/zinc/55/63/22/398556322.db2.gz ITDIVEUVIIZTEN-AWEZNQCLSA-N 2 2 301.390 2.894 20 10 DFCDLP CCC[N@@H+](c1ccc(C[NH3+])cc1)[C@@H](C)C1CCS(=O)(=O)CC1 ZINC000280655066 283308570 /nfs/dbraw/zinc/30/85/70/283308570.db2.gz SLGUULOSBGYOQU-AWEZNQCLSA-N 2 2 324.490 2.575 20 10 DFCDLP CCC[N@H+](c1ccc(C[NH3+])cc1)[C@@H](C)C1CCS(=O)(=O)CC1 ZINC000280655066 283308573 /nfs/dbraw/zinc/30/85/73/283308573.db2.gz SLGUULOSBGYOQU-AWEZNQCLSA-N 2 2 324.490 2.575 20 10 DFCDLP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1O ZINC000091960740 193132030 /nfs/dbraw/zinc/13/20/30/193132030.db2.gz RAKZWRMIHATPCG-HIFRSBDPSA-N 2 2 301.390 2.680 20 10 DFCDLP COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1O ZINC000091960740 193132033 /nfs/dbraw/zinc/13/20/33/193132033.db2.gz RAKZWRMIHATPCG-HIFRSBDPSA-N 2 2 301.390 2.680 20 10 DFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000273484277 130126485 /nfs/dbraw/zinc/12/64/85/130126485.db2.gz MUUXKWLSWLGYTR-ZDUSSCGKSA-N 2 2 320.433 2.702 20 10 DFCDLP Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1C ZINC000275537985 130333598 /nfs/dbraw/zinc/33/35/98/130333598.db2.gz MKKYGVKIJQPEDS-YJBOKZPZSA-N 2 2 315.417 2.752 20 10 DFCDLP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187752893 286198130 /nfs/dbraw/zinc/19/81/30/286198130.db2.gz FDSNQXQIOBEWHM-RYUDHWBXSA-N 2 2 316.392 2.678 20 10 DFCDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000151629668 426305090 /nfs/dbraw/zinc/30/50/90/426305090.db2.gz MHIWLIPFNXFCJY-CYBMUJFWSA-N 2 2 318.417 2.570 20 10 DFCDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000151629668 426305093 /nfs/dbraw/zinc/30/50/93/426305093.db2.gz MHIWLIPFNXFCJY-CYBMUJFWSA-N 2 2 318.417 2.570 20 10 DFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)C3CC3)CC2)cc1 ZINC000177189949 426451390 /nfs/dbraw/zinc/45/13/90/426451390.db2.gz IIZSNBVEINQUCN-MRXNPFEDSA-N 2 2 317.477 2.595 20 10 DFCDLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000154978676 426461179 /nfs/dbraw/zinc/46/11/79/426461179.db2.gz YVRDRBZMQNLXLQ-HLLBOEOZSA-N 2 2 306.450 2.932 20 10 DFCDLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000154978676 426461182 /nfs/dbraw/zinc/46/11/82/426461182.db2.gz YVRDRBZMQNLXLQ-HLLBOEOZSA-N 2 2 306.450 2.932 20 10 DFCDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(Cl)c2O)CCCO1 ZINC000277386444 427186890 /nfs/dbraw/zinc/18/68/90/427186890.db2.gz GNLWBLYNNYQFTM-ZDUSSCGKSA-N 2 2 312.841 2.636 20 10 DFCDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(Cl)c2O)CCCO1 ZINC000277386444 427186897 /nfs/dbraw/zinc/18/68/97/427186897.db2.gz GNLWBLYNNYQFTM-ZDUSSCGKSA-N 2 2 312.841 2.636 20 10 DFCDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(Br)ccc1O ZINC000184868315 427554947 /nfs/dbraw/zinc/55/49/47/427554947.db2.gz TVZNRSBWALKLLT-SNVBAGLBSA-N 2 2 310.195 2.702 20 10 DFCDLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000184914791 427565363 /nfs/dbraw/zinc/56/53/63/427565363.db2.gz YNOCBCYZKBODHU-MJBXVCDLSA-N 2 2 310.413 2.681 20 10 DFCDLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000184914791 427565369 /nfs/dbraw/zinc/56/53/69/427565369.db2.gz YNOCBCYZKBODHU-MJBXVCDLSA-N 2 2 310.413 2.681 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1O ZINC000185142538 427602965 /nfs/dbraw/zinc/60/29/65/427602965.db2.gz IQCDRSXOZPBZSL-CMPLNLGQSA-N 2 2 313.239 2.900 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1O ZINC000185142538 427602969 /nfs/dbraw/zinc/60/29/69/427602969.db2.gz IQCDRSXOZPBZSL-CMPLNLGQSA-N 2 2 313.239 2.900 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)c(O)c1 ZINC000371870277 428407383 /nfs/dbraw/zinc/40/73/83/428407383.db2.gz OXWJLLLDYPOIDH-LZLYRXPVSA-N 2 2 318.461 2.852 20 10 DFCDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(F)cc1O ZINC000363848336 428997467 /nfs/dbraw/zinc/99/74/67/428997467.db2.gz FJAQNMIAXWYCKR-LBPRGKRZSA-N 2 2 312.348 2.963 20 10 DFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000369387606 429935961 /nfs/dbraw/zinc/93/59/61/429935961.db2.gz CCJNLLDWQOINAV-MRXNPFEDSA-N 2 2 315.392 2.940 20 10 DFCDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000369387606 429935964 /nfs/dbraw/zinc/93/59/64/429935964.db2.gz CCJNLLDWQOINAV-MRXNPFEDSA-N 2 2 315.392 2.940 20 10 DFCDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc3c(c1)CCN3C)CCC2 ZINC000369772594 336871627 /nfs/dbraw/zinc/87/16/27/336871627.db2.gz LRBQVNUNXCJTFO-QGZVFWFLSA-N 2 2 310.445 2.851 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c(O)c1C ZINC000375242464 337006498 /nfs/dbraw/zinc/00/64/98/337006498.db2.gz OJOFTUMWFRVWDM-YESZJQIVSA-N 2 2 318.461 2.913 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000375271478 337007087 /nfs/dbraw/zinc/00/70/87/337007087.db2.gz ZPDYHWPTHMQPOA-GFCCVEGCSA-N 2 2 301.390 2.784 20 10 DFCDLP CCOc1ccc(O)c(C[NH2+]Cc2[nH+]c(C)n3c2CCCC3)c1 ZINC000360054625 337084355 /nfs/dbraw/zinc/08/43/55/337084355.db2.gz BSLMMPJISAEVCH-UHFFFAOYSA-N 2 2 315.417 2.922 20 10 DFCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180131375 521144251 /nfs/dbraw/zinc/14/42/51/521144251.db2.gz FHPSZBZYXWSSPA-INIZCTEOSA-N 2 2 315.417 2.960 20 10 DFCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180131375 521144258 /nfs/dbraw/zinc/14/42/58/521144258.db2.gz FHPSZBZYXWSSPA-INIZCTEOSA-N 2 2 315.417 2.960 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000179986964 524746029 /nfs/dbraw/zinc/74/60/29/524746029.db2.gz FQNDTESRJHYGHL-CQSZACIVSA-N 2 2 313.401 2.730 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000179986964 524746039 /nfs/dbraw/zinc/74/60/39/524746039.db2.gz FQNDTESRJHYGHL-CQSZACIVSA-N 2 2 313.401 2.730 20 10 DFCDLP Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131117467 526362956 /nfs/dbraw/zinc/36/29/56/526362956.db2.gz VMYOZIITWXHVCR-AWEZNQCLSA-N 2 2 324.852 2.590 20 10 DFCDLP Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131117467 526362958 /nfs/dbraw/zinc/36/29/58/526362958.db2.gz VMYOZIITWXHVCR-AWEZNQCLSA-N 2 2 324.852 2.590 20 10 DFCDLP COc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1O ZINC000092812763 185343415 /nfs/dbraw/zinc/34/34/15/185343415.db2.gz XONWIQAVZWYQFA-CQSZACIVSA-N 2 2 313.401 2.730 20 10 DFCDLP COc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1O ZINC000092812763 185343416 /nfs/dbraw/zinc/34/34/16/185343416.db2.gz XONWIQAVZWYQFA-CQSZACIVSA-N 2 2 313.401 2.730 20 10 DFCDLP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866202 398649023 /nfs/dbraw/zinc/64/90/23/398649023.db2.gz KQALDOWGLABLJZ-QGZVFWFLSA-N 2 2 314.385 2.839 20 10 DFCDLP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866202 398649025 /nfs/dbraw/zinc/64/90/25/398649025.db2.gz KQALDOWGLABLJZ-QGZVFWFLSA-N 2 2 314.385 2.839 20 10 DFCDLP CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(O)c1 ZINC000272696277 130054169 /nfs/dbraw/zinc/05/41/69/130054169.db2.gz XWIJDVRSRXBFTJ-RHSMWYFYSA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(O)c1 ZINC000272696277 130054170 /nfs/dbraw/zinc/05/41/70/130054170.db2.gz XWIJDVRSRXBFTJ-RHSMWYFYSA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c(O)c1 ZINC000272696277 130054173 /nfs/dbraw/zinc/05/41/73/130054173.db2.gz XWIJDVRSRXBFTJ-RHSMWYFYSA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(O)c1 ZINC000272696277 130054175 /nfs/dbraw/zinc/05/41/75/130054175.db2.gz XWIJDVRSRXBFTJ-RHSMWYFYSA-N 2 2 304.434 2.707 20 10 DFCDLP CN(C)c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1F ZINC000127720292 426082442 /nfs/dbraw/zinc/08/24/42/426082442.db2.gz GJXGLUVLONDVGI-UHFFFAOYSA-N 2 2 305.441 2.952 20 10 DFCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[N@H+](C)C3CC3)CC2)cc1 ZINC000130957344 426163932 /nfs/dbraw/zinc/16/39/32/426163932.db2.gz NEBRVKASOGZAFS-OAHLLOKOSA-N 2 2 317.477 2.736 20 10 DFCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[N@@H+](C)C3CC3)CC2)cc1 ZINC000130957344 426163935 /nfs/dbraw/zinc/16/39/35/426163935.db2.gz NEBRVKASOGZAFS-OAHLLOKOSA-N 2 2 317.477 2.736 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1O ZINC000175663926 426320443 /nfs/dbraw/zinc/32/04/43/426320443.db2.gz KDFRKAZSDPFMPC-UHFFFAOYSA-N 2 2 317.364 2.768 20 10 DFCDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000122917573 426402667 /nfs/dbraw/zinc/40/26/67/426402667.db2.gz WIIJNVLHPBKPTJ-OAHLLOKOSA-N 2 2 315.417 2.997 20 10 DFCDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000122917573 426402669 /nfs/dbraw/zinc/40/26/69/426402669.db2.gz WIIJNVLHPBKPTJ-OAHLLOKOSA-N 2 2 315.417 2.997 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000177169869 426450565 /nfs/dbraw/zinc/45/05/65/426450565.db2.gz OOZSWQMCWUCLGZ-LBPRGKRZSA-N 2 2 310.825 2.632 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000177169869 426450567 /nfs/dbraw/zinc/45/05/67/426450567.db2.gz OOZSWQMCWUCLGZ-LBPRGKRZSA-N 2 2 310.825 2.632 20 10 DFCDLP COc1cccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1O ZINC000289664607 426670763 /nfs/dbraw/zinc/67/07/63/426670763.db2.gz DCYBPHJTKVHDLI-UHFFFAOYSA-N 2 2 318.417 2.948 20 10 DFCDLP COc1cccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1O ZINC000289664607 426670769 /nfs/dbraw/zinc/67/07/69/426670769.db2.gz DCYBPHJTKVHDLI-UHFFFAOYSA-N 2 2 318.417 2.948 20 10 DFCDLP COc1cccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1O ZINC000289664607 426670770 /nfs/dbraw/zinc/67/07/70/426670770.db2.gz DCYBPHJTKVHDLI-UHFFFAOYSA-N 2 2 318.417 2.948 20 10 DFCDLP COc1cccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1O ZINC000289664607 426670775 /nfs/dbraw/zinc/67/07/75/426670775.db2.gz DCYBPHJTKVHDLI-UHFFFAOYSA-N 2 2 318.417 2.948 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277215989 427137984 /nfs/dbraw/zinc/13/79/84/427137984.db2.gz NPYZXQZUYVFHPI-OAHLLOKOSA-N 2 2 308.397 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277215989 427137992 /nfs/dbraw/zinc/13/79/92/427137992.db2.gz NPYZXQZUYVFHPI-OAHLLOKOSA-N 2 2 308.397 2.650 20 10 DFCDLP C[C@H]([NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccccc1O ZINC000278874996 427485284 /nfs/dbraw/zinc/48/52/84/427485284.db2.gz CCIIOILBUYIVGD-DCGLDWPTSA-N 2 2 301.390 2.697 20 10 DFCDLP CCOc1ccc(O)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271179370 427434016 /nfs/dbraw/zinc/43/40/16/427434016.db2.gz GUGDBXCJNSJONF-UHFFFAOYSA-N 2 2 301.390 2.894 20 10 DFCDLP COc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000184698449 427519976 /nfs/dbraw/zinc/51/99/76/427519976.db2.gz IYDYHHQKHGMCBL-SMDDNHRTSA-N 2 2 312.841 2.969 20 10 DFCDLP COc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000184698449 427519981 /nfs/dbraw/zinc/51/99/81/427519981.db2.gz IYDYHHQKHGMCBL-SMDDNHRTSA-N 2 2 312.841 2.969 20 10 DFCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1O ZINC000185114794 427595131 /nfs/dbraw/zinc/59/51/31/427595131.db2.gz JIZIAVXNAGRYTL-OCCSQVGLSA-N 2 2 312.841 2.543 20 10 DFCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000364574572 429227738 /nfs/dbraw/zinc/22/77/38/429227738.db2.gz JUOJENMKLUJLMH-SNVBAGLBSA-N 2 2 309.772 2.733 20 10 DFCDLP Cc1cc(C)c(O)c(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000530106126 430097467 /nfs/dbraw/zinc/09/74/67/430097467.db2.gz VEABPBJBJACEHR-UHFFFAOYSA-N 2 2 318.461 2.696 20 10 DFCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000363778720 332246231 /nfs/dbraw/zinc/24/62/31/332246231.db2.gz CAKWJYIGYZOOJP-SNRMKQJTSA-N 2 2 317.477 2.657 20 10 DFCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000363778720 332246232 /nfs/dbraw/zinc/24/62/32/332246232.db2.gz CAKWJYIGYZOOJP-SNRMKQJTSA-N 2 2 317.477 2.657 20 10 DFCDLP COc1ccc(O)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000121343586 333385827 /nfs/dbraw/zinc/38/58/27/333385827.db2.gz BAPKVYLHIUVCOQ-UHFFFAOYSA-N 2 2 313.401 2.554 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccccc1O ZINC000371681557 336910520 /nfs/dbraw/zinc/91/05/20/336910520.db2.gz ROQGURLERIANNP-ZMSDIMECSA-N 2 2 304.434 2.544 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(F)ccc1O ZINC000371870623 336915299 /nfs/dbraw/zinc/91/52/99/336915299.db2.gz RLCIZVKJGDXTAT-GRDNDAEWSA-N 2 2 322.424 2.683 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000375843840 337021046 /nfs/dbraw/zinc/02/10/46/337021046.db2.gz BRXSAIXUWUCWTR-OLZOCXBDSA-N 2 2 301.390 2.826 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(F)cc1O ZINC000375895365 337022468 /nfs/dbraw/zinc/02/24/68/337022468.db2.gz LUJKQUNKALZNQQ-INMHGKMJSA-N 2 2 322.424 2.825 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(F)cc1O ZINC000375895365 337022469 /nfs/dbraw/zinc/02/24/69/337022469.db2.gz LUJKQUNKALZNQQ-INMHGKMJSA-N 2 2 322.424 2.825 20 10 DFCDLP CCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000376045744 337025799 /nfs/dbraw/zinc/02/57/99/337025799.db2.gz OSDRAHZZWKEPMH-OAHLLOKOSA-N 2 2 315.417 2.904 20 10 DFCDLP CCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000376045744 337025800 /nfs/dbraw/zinc/02/58/00/337025800.db2.gz OSDRAHZZWKEPMH-OAHLLOKOSA-N 2 2 315.417 2.904 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(Cl)ccc1O ZINC000376892184 337043274 /nfs/dbraw/zinc/04/32/74/337043274.db2.gz IGMKATRHAQBELR-NWANDNLSSA-N 2 2 324.852 2.950 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(Cl)ccc1O ZINC000376892184 337043275 /nfs/dbraw/zinc/04/32/75/337043275.db2.gz IGMKATRHAQBELR-NWANDNLSSA-N 2 2 324.852 2.950 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000376892185 337043328 /nfs/dbraw/zinc/04/33/28/337043328.db2.gz IGMKATRHAQBELR-QEJZJMRPSA-N 2 2 324.852 2.950 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000376892185 337043329 /nfs/dbraw/zinc/04/33/29/337043329.db2.gz IGMKATRHAQBELR-QEJZJMRPSA-N 2 2 324.852 2.950 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182090696 337184359 /nfs/dbraw/zinc/18/43/59/337184359.db2.gz QBEOPRJCTRQIMU-AWEZNQCLSA-N 2 2 315.417 2.589 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182090696 337184360 /nfs/dbraw/zinc/18/43/60/337184360.db2.gz QBEOPRJCTRQIMU-AWEZNQCLSA-N 2 2 315.417 2.589 20 10 DFCDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469624 185172768 /nfs/dbraw/zinc/17/27/68/185172768.db2.gz RUMMFMFECGNPMW-ZDUSSCGKSA-N 2 2 308.397 2.508 20 10 DFCDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469624 185172769 /nfs/dbraw/zinc/17/27/69/185172769.db2.gz RUMMFMFECGNPMW-ZDUSSCGKSA-N 2 2 308.397 2.508 20 10 DFCDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469624 185172770 /nfs/dbraw/zinc/17/27/70/185172770.db2.gz RUMMFMFECGNPMW-ZDUSSCGKSA-N 2 2 308.397 2.508 20 10 DFCDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469624 185172771 /nfs/dbraw/zinc/17/27/71/185172771.db2.gz RUMMFMFECGNPMW-ZDUSSCGKSA-N 2 2 308.397 2.508 20 10 DFCDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469475 185172797 /nfs/dbraw/zinc/17/27/97/185172797.db2.gz ALDZOPBZALNCKE-AWEZNQCLSA-N 2 2 322.424 2.898 20 10 DFCDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469475 185172798 /nfs/dbraw/zinc/17/27/98/185172798.db2.gz ALDZOPBZALNCKE-AWEZNQCLSA-N 2 2 322.424 2.898 20 10 DFCDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469475 185172799 /nfs/dbraw/zinc/17/27/99/185172799.db2.gz ALDZOPBZALNCKE-AWEZNQCLSA-N 2 2 322.424 2.898 20 10 DFCDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469475 185172800 /nfs/dbraw/zinc/17/28/00/185172800.db2.gz ALDZOPBZALNCKE-AWEZNQCLSA-N 2 2 322.424 2.898 20 10 DFCDLP CCOc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1O ZINC000092648592 185331280 /nfs/dbraw/zinc/33/12/80/185331280.db2.gz ZHYDJSVEQILDFA-UHFFFAOYSA-N 2 2 301.390 2.825 20 10 DFCDLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1O ZINC000185491782 299272920 /nfs/dbraw/zinc/27/29/20/299272920.db2.gz PBYRBWQTALYXAJ-UONOGXRCSA-N 2 2 322.424 2.683 20 10 DFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000273412821 292014086 /nfs/dbraw/zinc/01/40/86/292014086.db2.gz QDKFEJUBVBGEAW-CQSZACIVSA-N 2 2 320.433 2.705 20 10 DFCDLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187752910 286442189 /nfs/dbraw/zinc/44/21/89/286442189.db2.gz FDSNQXQIOBEWHM-NWDGAFQWSA-N 2 2 316.392 2.678 20 10 DFCDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc(Cl)ccc1O ZINC000185504682 287035154 /nfs/dbraw/zinc/03/51/54/287035154.db2.gz VPXWTQNHRUAITK-QWHCGFSZSA-N 2 2 312.841 2.665 20 10 DFCDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461957 426194040 /nfs/dbraw/zinc/19/40/40/426194040.db2.gz RZXFZOGXZPJZDS-SJKOYZFVSA-N 2 2 322.424 2.896 20 10 DFCDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461957 426194042 /nfs/dbraw/zinc/19/40/42/426194042.db2.gz RZXFZOGXZPJZDS-SJKOYZFVSA-N 2 2 322.424 2.896 20 10 DFCDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461957 426194045 /nfs/dbraw/zinc/19/40/45/426194045.db2.gz RZXFZOGXZPJZDS-SJKOYZFVSA-N 2 2 322.424 2.896 20 10 DFCDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461957 426194047 /nfs/dbraw/zinc/19/40/47/426194047.db2.gz RZXFZOGXZPJZDS-SJKOYZFVSA-N 2 2 322.424 2.896 20 10 DFCDLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CCO1 ZINC000092079312 426346164 /nfs/dbraw/zinc/34/61/64/426346164.db2.gz MCAWIUVGGOVVEE-ZDUSSCGKSA-N 2 2 324.852 2.731 20 10 DFCDLP C[C@H]1C[N@H+](C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CCO1 ZINC000092079312 426346168 /nfs/dbraw/zinc/34/61/68/426346168.db2.gz MCAWIUVGGOVVEE-ZDUSSCGKSA-N 2 2 324.852 2.731 20 10 DFCDLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000154978560 426461199 /nfs/dbraw/zinc/46/11/99/426461199.db2.gz YVRDRBZMQNLXLQ-UXLLHSPISA-N 2 2 306.450 2.932 20 10 DFCDLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000154978560 426461201 /nfs/dbraw/zinc/46/12/01/426461201.db2.gz YVRDRBZMQNLXLQ-UXLLHSPISA-N 2 2 306.450 2.932 20 10 DFCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000268970303 427141202 /nfs/dbraw/zinc/14/12/02/427141202.db2.gz MSUDOJCOYRNJLM-DOTOQJQBSA-N 2 2 324.852 2.513 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(F)ccc1O ZINC000371870624 428406955 /nfs/dbraw/zinc/40/69/55/428406955.db2.gz RLCIZVKJGDXTAT-JJRVBVJISA-N 2 2 322.424 2.683 20 10 DFCDLP C[N@H+](Cc1cccc(F)c1O)C1CC[NH+](C2CCOCC2)CC1 ZINC000361052185 428533129 /nfs/dbraw/zinc/53/31/29/428533129.db2.gz MDEBQGRZOOAVIJ-UHFFFAOYSA-N 2 2 322.424 2.607 20 10 DFCDLP C[N@@H+](Cc1cccc(F)c1O)C1CC[NH+](C2CCOCC2)CC1 ZINC000361052185 428533134 /nfs/dbraw/zinc/53/31/34/428533134.db2.gz MDEBQGRZOOAVIJ-UHFFFAOYSA-N 2 2 322.424 2.607 20 10 DFCDLP C[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1cc(F)ccc1O ZINC000363857516 429000281 /nfs/dbraw/zinc/00/02/81/429000281.db2.gz QDYIGTQMOGTJMV-GFCCVEGCSA-N 2 2 312.348 2.963 20 10 DFCDLP CCCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(O)c1 ZINC000368090141 429785337 /nfs/dbraw/zinc/78/53/37/429785337.db2.gz PPERHQBDLHPTOY-CYBMUJFWSA-N 2 2 301.390 2.551 20 10 DFCDLP CCCOc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(O)c1 ZINC000368090141 429785341 /nfs/dbraw/zinc/78/53/41/429785341.db2.gz PPERHQBDLHPTOY-CYBMUJFWSA-N 2 2 301.390 2.551 20 10 DFCDLP CCOCc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530179797 430100706 /nfs/dbraw/zinc/10/07/06/430100706.db2.gz XQAYKTVTAIDORY-QGZVFWFLSA-N 2 2 304.434 2.606 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1O ZINC000278864802 289968507 /nfs/dbraw/zinc/96/85/07/289968507.db2.gz BEUYGCARMUHXQI-QWRGUYRKSA-N 2 2 307.344 2.780 20 10 DFCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000363778718 332246237 /nfs/dbraw/zinc/24/62/37/332246237.db2.gz CAKWJYIGYZOOJP-KFKAGJAMSA-N 2 2 317.477 2.657 20 10 DFCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000363778718 332246238 /nfs/dbraw/zinc/24/62/38/332246238.db2.gz CAKWJYIGYZOOJP-KFKAGJAMSA-N 2 2 317.477 2.657 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(C)cc1O ZINC000375661085 337015897 /nfs/dbraw/zinc/01/58/97/337015897.db2.gz BDEDXLIRUZWDOK-BQFCYCMXSA-N 2 2 318.461 2.995 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(C)cc1O ZINC000375661085 337015898 /nfs/dbraw/zinc/01/58/98/337015898.db2.gz BDEDXLIRUZWDOK-BQFCYCMXSA-N 2 2 318.461 2.995 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000375661092 337015993 /nfs/dbraw/zinc/01/59/93/337015993.db2.gz BDEDXLIRUZWDOK-RYRKJORJSA-N 2 2 318.461 2.995 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000375661092 337015994 /nfs/dbraw/zinc/01/59/94/337015994.db2.gz BDEDXLIRUZWDOK-RYRKJORJSA-N 2 2 318.461 2.995 20 10 DFCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1O ZINC000131544729 521185154 /nfs/dbraw/zinc/18/51/54/521185154.db2.gz GAACWVQUMPRTMS-UHFFFAOYSA-N 2 2 324.222 2.873 20 10 DFCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1O ZINC000131544729 521185162 /nfs/dbraw/zinc/18/51/62/521185162.db2.gz GAACWVQUMPRTMS-UHFFFAOYSA-N 2 2 324.222 2.873 20 10 DFCDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156568583 521640151 /nfs/dbraw/zinc/64/01/51/521640151.db2.gz OYPXALQQNJNJNP-GOSISDBHSA-N 2 2 317.477 2.738 20 10 DFCDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156568583 521640154 /nfs/dbraw/zinc/64/01/54/521640154.db2.gz OYPXALQQNJNJNP-GOSISDBHSA-N 2 2 317.477 2.738 20 10 DFCDLP COc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000268030961 524427177 /nfs/dbraw/zinc/42/71/77/524427177.db2.gz GCFVFPZLSQPFJF-KRWDZBQOSA-N 2 2 317.477 2.692 20 10 DFCDLP COc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000268030961 524427186 /nfs/dbraw/zinc/42/71/86/524427186.db2.gz GCFVFPZLSQPFJF-KRWDZBQOSA-N 2 2 317.477 2.692 20 10 DFCDLP Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000180032004 526325810 /nfs/dbraw/zinc/32/58/10/526325810.db2.gz ZHJXJPYETBLTEY-AWEZNQCLSA-N 2 2 324.852 2.590 20 10 DFCDLP Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000180032004 526325822 /nfs/dbraw/zinc/32/58/22/526325822.db2.gz ZHJXJPYETBLTEY-AWEZNQCLSA-N 2 2 324.852 2.590 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1O ZINC000079438495 399044928 /nfs/dbraw/zinc/04/49/28/399044928.db2.gz XMWPZNRZKMGPRS-GFCCVEGCSA-N 2 2 317.364 2.837 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1O ZINC000079438495 399044934 /nfs/dbraw/zinc/04/49/34/399044934.db2.gz XMWPZNRZKMGPRS-GFCCVEGCSA-N 2 2 317.364 2.837 20 10 DFCDLP COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1C ZINC000275530606 130329689 /nfs/dbraw/zinc/32/96/89/130329689.db2.gz LWPKQHOJVYOKBB-CRAIPNDOSA-N 2 2 315.417 2.747 20 10 DFCDLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000275713255 130369107 /nfs/dbraw/zinc/36/91/07/130369107.db2.gz YMYOUFHOPLNEOD-ZBEGNZNMSA-N 2 2 321.808 2.789 20 10 DFCDLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000154978785 426461087 /nfs/dbraw/zinc/46/10/87/426461087.db2.gz YVRDRBZMQNLXLQ-INMHGKMJSA-N 2 2 306.450 2.932 20 10 DFCDLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(C)cc1O ZINC000280075775 426503474 /nfs/dbraw/zinc/50/34/74/426503474.db2.gz LKJGTTLTCUJDAU-RDJZCZTQSA-N 2 2 306.450 2.710 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000273699575 426710306 /nfs/dbraw/zinc/71/03/06/426710306.db2.gz CZKHZHSHBMJERQ-SMDDNHRTSA-N 2 2 310.825 2.580 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000273699575 426710309 /nfs/dbraw/zinc/71/03/09/426710309.db2.gz CZKHZHSHBMJERQ-SMDDNHRTSA-N 2 2 310.825 2.580 20 10 DFCDLP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1O ZINC000278864791 427480717 /nfs/dbraw/zinc/48/07/17/427480717.db2.gz BEUYGCARMUHXQI-GHMZBOCLSA-N 2 2 307.344 2.780 20 10 DFCDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1O ZINC000185114782 427595157 /nfs/dbraw/zinc/59/51/57/427595157.db2.gz JIZIAVXNAGRYTL-JSGCOSHPSA-N 2 2 312.841 2.543 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1O ZINC000185142502 427602505 /nfs/dbraw/zinc/60/25/05/427602505.db2.gz IQCDRSXOZPBZSL-JQWIXIFHSA-N 2 2 313.239 2.900 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1O ZINC000185142502 427602511 /nfs/dbraw/zinc/60/25/11/427602511.db2.gz IQCDRSXOZPBZSL-JQWIXIFHSA-N 2 2 313.239 2.900 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000373252468 428528459 /nfs/dbraw/zinc/52/84/59/428528459.db2.gz NMXXPNFDLGWOMH-FPMFFAJLSA-N 2 2 310.825 2.559 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000373252468 428528461 /nfs/dbraw/zinc/52/84/61/428528461.db2.gz NMXXPNFDLGWOMH-FPMFFAJLSA-N 2 2 310.825 2.559 20 10 DFCDLP Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000362036124 428614061 /nfs/dbraw/zinc/61/40/61/428614061.db2.gz FKGLJJZWJROCQN-IJEWVQPXSA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000362036124 428614064 /nfs/dbraw/zinc/61/40/64/428614064.db2.gz FKGLJJZWJROCQN-IJEWVQPXSA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000362036124 428614070 /nfs/dbraw/zinc/61/40/70/428614070.db2.gz FKGLJJZWJROCQN-IJEWVQPXSA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000362036124 428614077 /nfs/dbraw/zinc/61/40/77/428614077.db2.gz FKGLJJZWJROCQN-IJEWVQPXSA-N 2 2 306.837 2.962 20 10 DFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1O ZINC000367757469 429712667 /nfs/dbraw/zinc/71/26/67/429712667.db2.gz ZIDNTMSAUGGCSQ-KBMXLJTQSA-N 2 2 324.852 2.729 20 10 DFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1O ZINC000367757469 429712672 /nfs/dbraw/zinc/71/26/72/429712672.db2.gz ZIDNTMSAUGGCSQ-KBMXLJTQSA-N 2 2 324.852 2.729 20 10 DFCDLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000285954006 280943886 /nfs/dbraw/zinc/94/38/86/280943886.db2.gz GIKYEEDEBYYLDE-BBRMVZONSA-N 2 2 310.413 2.540 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000371869071 336915211 /nfs/dbraw/zinc/91/52/11/336915211.db2.gz DGLKVNPVSIBZSS-GRDNDAEWSA-N 2 2 322.424 2.683 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c(O)c1 ZINC000376894158 337043377 /nfs/dbraw/zinc/04/33/77/337043377.db2.gz RORXJHWZLGRMGA-HRCADAONSA-N 2 2 304.434 2.605 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c(O)c1 ZINC000376894158 337043378 /nfs/dbraw/zinc/04/33/78/337043378.db2.gz RORXJHWZLGRMGA-HRCADAONSA-N 2 2 304.434 2.605 20 10 DFCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182088071 337184206 /nfs/dbraw/zinc/18/42/06/337184206.db2.gz FMBYKYZVZUTLGN-QGZVFWFLSA-N 2 2 312.461 2.941 20 10 DFCDLP CN(C)c1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182088071 337184207 /nfs/dbraw/zinc/18/42/07/337184207.db2.gz FMBYKYZVZUTLGN-QGZVFWFLSA-N 2 2 312.461 2.941 20 10 DFCDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)ccc1O ZINC000227437327 337205192 /nfs/dbraw/zinc/20/51/92/337205192.db2.gz JGOJTMJBMNGPRS-JTQLQIEISA-N 2 2 310.195 2.530 20 10 DFCDLP COc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000268030965 524426311 /nfs/dbraw/zinc/42/63/11/524426311.db2.gz GCFVFPZLSQPFJF-QGZVFWFLSA-N 2 2 317.477 2.692 20 10 DFCDLP COc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000268030965 524426320 /nfs/dbraw/zinc/42/63/20/524426320.db2.gz GCFVFPZLSQPFJF-QGZVFWFLSA-N 2 2 317.477 2.692 20 10 DFCDLP Oc1ccc(F)cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000180042642 526348982 /nfs/dbraw/zinc/34/89/82/526348982.db2.gz PQISNTKYPXYPED-CYBMUJFWSA-N 2 2 301.365 2.860 20 10 DFCDLP Oc1ccc(F)cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000180042642 526348990 /nfs/dbraw/zinc/34/89/90/526348990.db2.gz PQISNTKYPXYPED-CYBMUJFWSA-N 2 2 301.365 2.860 20 10 DFCDLP COc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1O ZINC000092812764 185343134 /nfs/dbraw/zinc/34/31/34/185343134.db2.gz XONWIQAVZWYQFA-AWEZNQCLSA-N 2 2 313.401 2.730 20 10 DFCDLP COc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1O ZINC000092812764 185343135 /nfs/dbraw/zinc/34/31/35/185343135.db2.gz XONWIQAVZWYQFA-AWEZNQCLSA-N 2 2 313.401 2.730 20 10 DFCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000272373234 130023591 /nfs/dbraw/zinc/02/35/91/130023591.db2.gz GXOQCVVMBLJWAW-SUMWQHHRSA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000272373234 130023594 /nfs/dbraw/zinc/02/35/94/130023594.db2.gz GXOQCVVMBLJWAW-SUMWQHHRSA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000272373234 130023597 /nfs/dbraw/zinc/02/35/97/130023597.db2.gz GXOQCVVMBLJWAW-SUMWQHHRSA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000272373234 130023600 /nfs/dbraw/zinc/02/36/00/130023600.db2.gz GXOQCVVMBLJWAW-SUMWQHHRSA-N 2 2 304.409 2.980 20 10 DFCDLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Cl)ccc1O ZINC000185115980 287024052 /nfs/dbraw/zinc/02/40/52/287024052.db2.gz GOTPLDKTCRDECI-GFCCVEGCSA-N 2 2 312.841 2.543 20 10 DFCDLP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1cc(F)ccc1O ZINC000278938137 427508024 /nfs/dbraw/zinc/50/80/24/427508024.db2.gz JZAPTYOYSYIMST-XTQGRXLLSA-N 2 2 319.380 2.836 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000184969591 427572090 /nfs/dbraw/zinc/57/20/90/427572090.db2.gz IBZZENRFRZQINH-ZDUSSCGKSA-N 2 2 311.385 2.942 20 10 DFCDLP COc1ccc(O)c(C[NH+]2CCC([N@@H+]3CCC[C@H]3C)CC2)c1 ZINC000371419582 428389503 /nfs/dbraw/zinc/38/95/03/428389503.db2.gz VJIMVBSLVJSTSI-CQSZACIVSA-N 2 2 304.434 2.850 20 10 DFCDLP COc1ccc(O)c(C[NH+]2CCC([N@H+]3CCC[C@H]3C)CC2)c1 ZINC000371419582 428389506 /nfs/dbraw/zinc/38/95/06/428389506.db2.gz VJIMVBSLVJSTSI-CQSZACIVSA-N 2 2 304.434 2.850 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000372969825 428508578 /nfs/dbraw/zinc/50/85/78/428508578.db2.gz OPAOPRBXRWZCMO-AWEZNQCLSA-N 2 2 312.841 2.970 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000372969825 428508583 /nfs/dbraw/zinc/50/85/83/428508583.db2.gz OPAOPRBXRWZCMO-AWEZNQCLSA-N 2 2 312.841 2.970 20 10 DFCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364574558 429227697 /nfs/dbraw/zinc/22/76/97/429227697.db2.gz JUOJENMKLUJLMH-JTQLQIEISA-N 2 2 309.772 2.733 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccccc1O ZINC000368408314 429844906 /nfs/dbraw/zinc/84/49/06/429844906.db2.gz WPGMKYFVPSZWHP-SZMVWBNQSA-N 2 2 318.461 2.934 20 10 DFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000368596070 429875799 /nfs/dbraw/zinc/87/57/99/429875799.db2.gz ZLIRPHIBGGIQRT-CQSZACIVSA-N 2 2 302.397 2.615 20 10 DFCDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000368596070 429875800 /nfs/dbraw/zinc/87/58/00/429875800.db2.gz ZLIRPHIBGGIQRT-CQSZACIVSA-N 2 2 302.397 2.615 20 10 DFCDLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000153231488 280188726 /nfs/dbraw/zinc/18/87/26/280188726.db2.gz MBQVXMDLPTWTIB-VQIMIIECSA-N 2 2 319.493 2.762 20 10 DFCDLP Oc1c(Cl)cccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000179685067 333154348 /nfs/dbraw/zinc/15/43/48/333154348.db2.gz WDDULXCQMGPONF-UHFFFAOYSA-N 2 2 324.852 2.590 20 10 DFCDLP CN(C)c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000371336901 336901027 /nfs/dbraw/zinc/90/10/27/336901027.db2.gz RFCRKBDHLQAVOT-UHFFFAOYSA-N 2 2 302.397 2.994 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377890306 337063455 /nfs/dbraw/zinc/06/34/55/337063455.db2.gz UHOAJCVYECQBEK-OLZOCXBDSA-N 2 2 301.390 2.685 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377890306 337063456 /nfs/dbraw/zinc/06/34/56/337063456.db2.gz UHOAJCVYECQBEK-OLZOCXBDSA-N 2 2 301.390 2.685 20 10 DFCDLP COc1cccc(C[NH2+]Cc2[nH+]c(C)n3c2CCCC3)c1O ZINC000378393114 337071622 /nfs/dbraw/zinc/07/16/22/337071622.db2.gz GGHUUSCOEBFOAE-UHFFFAOYSA-N 2 2 301.390 2.532 20 10 DFCDLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2O)C1 ZINC000190489251 523417566 /nfs/dbraw/zinc/41/75/66/523417566.db2.gz IQSSOBIYCIIRQU-QGZVFWFLSA-N 2 2 311.429 2.741 20 10 DFCDLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2O)C1 ZINC000190489251 523417572 /nfs/dbraw/zinc/41/75/72/523417572.db2.gz IQSSOBIYCIIRQU-QGZVFWFLSA-N 2 2 311.429 2.741 20 10 DFCDLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000190489251 523417579 /nfs/dbraw/zinc/41/75/79/523417579.db2.gz IQSSOBIYCIIRQU-QGZVFWFLSA-N 2 2 311.429 2.741 20 10 DFCDLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000190489251 523417588 /nfs/dbraw/zinc/41/75/88/523417588.db2.gz IQSSOBIYCIIRQU-QGZVFWFLSA-N 2 2 311.429 2.741 20 10 DFCDLP COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O ZINC000180129424 525940124 /nfs/dbraw/zinc/94/01/24/525940124.db2.gz LFWJMFDFTUPRCM-OAHLLOKOSA-N 2 2 301.390 2.570 20 10 DFCDLP COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O ZINC000180129424 525940139 /nfs/dbraw/zinc/94/01/39/525940139.db2.gz LFWJMFDFTUPRCM-OAHLLOKOSA-N 2 2 301.390 2.570 20 10 DFCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1O ZINC000273481188 299273580 /nfs/dbraw/zinc/27/35/80/299273580.db2.gz MBAQNQVLMZUHPH-AFAVFJNCSA-N 2 2 322.424 2.560 20 10 DFCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1O ZINC000185491766 287013912 /nfs/dbraw/zinc/01/39/12/287013912.db2.gz PBYRBWQTALYXAJ-KGLIPLIRSA-N 2 2 322.424 2.683 20 10 DFCDLP Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000069796953 425957724 /nfs/dbraw/zinc/95/77/24/425957724.db2.gz MZPYJQLDLYIYST-QGZVFWFLSA-N 2 2 318.461 2.553 20 10 DFCDLP Cc1cc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000069796953 425957726 /nfs/dbraw/zinc/95/77/26/425957726.db2.gz MZPYJQLDLYIYST-QGZVFWFLSA-N 2 2 318.461 2.553 20 10 DFCDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000151629744 426304391 /nfs/dbraw/zinc/30/43/91/426304391.db2.gz MHIWLIPFNXFCJY-ZDUSSCGKSA-N 2 2 318.417 2.570 20 10 DFCDLP C[C@H]1CCC[N@H+]1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000151629744 426304393 /nfs/dbraw/zinc/30/43/93/426304393.db2.gz MHIWLIPFNXFCJY-ZDUSSCGKSA-N 2 2 318.417 2.570 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(F)ccc1O ZINC000371870625 428407345 /nfs/dbraw/zinc/40/73/45/428407345.db2.gz RLCIZVKJGDXTAT-VBQJREDUSA-N 2 2 322.424 2.683 20 10 DFCDLP CCOc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1O ZINC000371332656 428382382 /nfs/dbraw/zinc/38/23/82/428382382.db2.gz ANTKOQREUCLLMH-UHFFFAOYSA-N 2 2 301.390 2.894 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372801741 428502638 /nfs/dbraw/zinc/50/26/38/428502638.db2.gz MBNCMLVBJVGCMM-VYDXJSESSA-N 2 2 304.434 2.686 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372801741 428502644 /nfs/dbraw/zinc/50/26/44/428502644.db2.gz MBNCMLVBJVGCMM-VYDXJSESSA-N 2 2 304.434 2.686 20 10 DFCDLP Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000362036125 428614006 /nfs/dbraw/zinc/61/40/06/428614006.db2.gz FKGLJJZWJROCQN-YCPHGPKFSA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000362036125 428614010 /nfs/dbraw/zinc/61/40/10/428614010.db2.gz FKGLJJZWJROCQN-YCPHGPKFSA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362036125 428614019 /nfs/dbraw/zinc/61/40/19/428614019.db2.gz FKGLJJZWJROCQN-YCPHGPKFSA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362036125 428614021 /nfs/dbraw/zinc/61/40/21/428614021.db2.gz FKGLJJZWJROCQN-YCPHGPKFSA-N 2 2 306.837 2.962 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000363855265 428998936 /nfs/dbraw/zinc/99/89/36/428998936.db2.gz NIQYJILHWRRGBN-CYBMUJFWSA-N 2 2 324.384 2.832 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000377882096 337063228 /nfs/dbraw/zinc/06/32/28/337063228.db2.gz CPLCGAQGYAACPN-NSHDSACASA-N 2 2 321.808 2.777 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000377882096 337063229 /nfs/dbraw/zinc/06/32/29/337063229.db2.gz CPLCGAQGYAACPN-NSHDSACASA-N 2 2 321.808 2.777 20 10 DFCDLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000285954023 131212397 /nfs/dbraw/zinc/21/23/97/131212397.db2.gz GIKYEEDEBYYLDE-XJKSGUPXSA-N 2 2 310.413 2.540 20 10 DFCDLP CC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000227435045 426625317 /nfs/dbraw/zinc/62/53/17/426625317.db2.gz CABXDEKEIYBNNZ-UHFFFAOYSA-N 2 2 313.239 2.729 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000184680915 427516598 /nfs/dbraw/zinc/51/65/98/427516598.db2.gz MKSNMBZKPUYRSN-GFCCVEGCSA-N 2 2 312.841 2.828 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000184680915 427516606 /nfs/dbraw/zinc/51/66/06/427516606.db2.gz MKSNMBZKPUYRSN-GFCCVEGCSA-N 2 2 312.841 2.828 20 10 DFCDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1O ZINC000184868826 427557742 /nfs/dbraw/zinc/55/77/42/427557742.db2.gz XWALJHCOUVGQHI-JTQLQIEISA-N 2 2 310.195 2.702 20 10 DFCDLP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914262 427563348 /nfs/dbraw/zinc/56/33/48/427563348.db2.gz BOUKXHXHZDSNHY-OWCLPIDISA-N 2 2 306.450 2.851 20 10 DFCDLP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914262 427563354 /nfs/dbraw/zinc/56/33/54/427563354.db2.gz BOUKXHXHZDSNHY-OWCLPIDISA-N 2 2 306.450 2.851 20 10 DFCDLP COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000271717400 427584630 /nfs/dbraw/zinc/58/46/30/427584630.db2.gz IYMFFHDQHSGLQU-GFCCVEGCSA-N 2 2 317.389 2.512 20 10 DFCDLP COc1cc(O)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000271717400 427584639 /nfs/dbraw/zinc/58/46/39/427584639.db2.gz IYMFFHDQHSGLQU-GFCCVEGCSA-N 2 2 317.389 2.512 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccccc1O ZINC000368408311 429844158 /nfs/dbraw/zinc/84/41/58/429844158.db2.gz WPGMKYFVPSZWHP-BPQIPLTHSA-N 2 2 318.461 2.934 20 10 DFCDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc3c(c1)CCN3C)CCC2 ZINC000369772593 336871630 /nfs/dbraw/zinc/87/16/30/336871630.db2.gz LRBQVNUNXCJTFO-KRWDZBQOSA-N 2 2 310.445 2.851 20 10 DFCDLP CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000375256041 337006709 /nfs/dbraw/zinc/00/67/09/337006709.db2.gz LTIUBNXRYUIOPN-AEFFLSMTSA-N 2 2 318.461 2.888 20 10 DFCDLP CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000375256041 337006710 /nfs/dbraw/zinc/00/67/10/337006710.db2.gz LTIUBNXRYUIOPN-AEFFLSMTSA-N 2 2 318.461 2.888 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000375843843 337021134 /nfs/dbraw/zinc/02/11/34/337021134.db2.gz BRXSAIXUWUCWTR-STQMWFEESA-N 2 2 301.390 2.826 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(F)cc1O ZINC000375895368 337022357 /nfs/dbraw/zinc/02/23/57/337022357.db2.gz LUJKQUNKALZNQQ-ZOBUZTSGSA-N 2 2 322.424 2.825 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(F)cc1O ZINC000375895368 337022358 /nfs/dbraw/zinc/02/23/58/337022358.db2.gz LUJKQUNKALZNQQ-ZOBUZTSGSA-N 2 2 322.424 2.825 20 10 DFCDLP CCOc1ccc(O)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000127763671 337422273 /nfs/dbraw/zinc/42/22/73/337422273.db2.gz YTZMZEUUAJRMJT-UHFFFAOYSA-N 2 2 304.434 2.851 20 10 DFCDLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2O)C1 ZINC000190489227 523417010 /nfs/dbraw/zinc/41/70/10/523417010.db2.gz IQSSOBIYCIIRQU-KRWDZBQOSA-N 2 2 311.429 2.741 20 10 DFCDLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2O)C1 ZINC000190489227 523417018 /nfs/dbraw/zinc/41/70/18/523417018.db2.gz IQSSOBIYCIIRQU-KRWDZBQOSA-N 2 2 311.429 2.741 20 10 DFCDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000190489227 523417029 /nfs/dbraw/zinc/41/70/29/523417029.db2.gz IQSSOBIYCIIRQU-KRWDZBQOSA-N 2 2 311.429 2.741 20 10 DFCDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000190489227 523417040 /nfs/dbraw/zinc/41/70/40/523417040.db2.gz IQSSOBIYCIIRQU-KRWDZBQOSA-N 2 2 311.429 2.741 20 10 DFCDLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(O)c1 ZINC000272696278 130053920 /nfs/dbraw/zinc/05/39/20/130053920.db2.gz XWIJDVRSRXBFTJ-WMLDXEAASA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(O)c1 ZINC000272696278 130053921 /nfs/dbraw/zinc/05/39/21/130053921.db2.gz XWIJDVRSRXBFTJ-WMLDXEAASA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(O)c1 ZINC000272696278 130053924 /nfs/dbraw/zinc/05/39/24/130053924.db2.gz XWIJDVRSRXBFTJ-WMLDXEAASA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(O)c1 ZINC000272696278 130053926 /nfs/dbraw/zinc/05/39/26/130053926.db2.gz XWIJDVRSRXBFTJ-WMLDXEAASA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(O)c1 ZINC000272696279 130054947 /nfs/dbraw/zinc/05/49/47/130054947.db2.gz XWIJDVRSRXBFTJ-YOEHRIQHSA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(O)c1 ZINC000272696279 130054950 /nfs/dbraw/zinc/05/49/50/130054950.db2.gz XWIJDVRSRXBFTJ-YOEHRIQHSA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(O)c1 ZINC000272696279 130054955 /nfs/dbraw/zinc/05/49/55/130054955.db2.gz XWIJDVRSRXBFTJ-YOEHRIQHSA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(O)c1 ZINC000272696279 130054958 /nfs/dbraw/zinc/05/49/58/130054958.db2.gz XWIJDVRSRXBFTJ-YOEHRIQHSA-N 2 2 304.434 2.707 20 10 DFCDLP Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1C ZINC000275537978 130332591 /nfs/dbraw/zinc/33/25/91/130332591.db2.gz MKKYGVKIJQPEDS-MAUKXSAKSA-N 2 2 315.417 2.752 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290409295 426758764 /nfs/dbraw/zinc/75/87/64/426758764.db2.gz JXTMHPUWHKJIFC-SMDDNHRTSA-N 2 2 312.841 2.826 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290409295 426758770 /nfs/dbraw/zinc/75/87/70/426758770.db2.gz JXTMHPUWHKJIFC-SMDDNHRTSA-N 2 2 312.841 2.826 20 10 DFCDLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000184914338 427565242 /nfs/dbraw/zinc/56/52/42/427565242.db2.gz QHBPIQSKLPJGDC-MJBXVCDLSA-N 2 2 310.413 2.681 20 10 DFCDLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000184914338 427565250 /nfs/dbraw/zinc/56/52/50/427565250.db2.gz QHBPIQSKLPJGDC-MJBXVCDLSA-N 2 2 310.413 2.681 20 10 DFCDLP CCOCc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OC ZINC000370730527 428286582 /nfs/dbraw/zinc/28/65/82/428286582.db2.gz OTMYNECBYPRFRA-HNNXBMFYSA-N 2 2 315.417 2.602 20 10 DFCDLP CCOCc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1OC ZINC000370730527 428286586 /nfs/dbraw/zinc/28/65/86/428286586.db2.gz OTMYNECBYPRFRA-HNNXBMFYSA-N 2 2 315.417 2.602 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccccc1O ZINC000371681555 428399999 /nfs/dbraw/zinc/39/99/99/428399999.db2.gz ROQGURLERIANNP-UXLLHSPISA-N 2 2 304.434 2.544 20 10 DFCDLP C[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccc(F)cc1O ZINC000363847802 428997373 /nfs/dbraw/zinc/99/73/73/428997373.db2.gz DZFJEYUXWWKTCT-LBPRGKRZSA-N 2 2 312.348 2.963 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000363855267 429000894 /nfs/dbraw/zinc/00/08/94/429000894.db2.gz NIQYJILHWRRGBN-ZDUSSCGKSA-N 2 2 324.384 2.832 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000371868796 336915201 /nfs/dbraw/zinc/91/52/01/336915201.db2.gz CCNGNPCDWIPUKO-JZXOWHBKSA-N 2 2 318.461 2.852 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(C)cc1O ZINC000375661088 337015944 /nfs/dbraw/zinc/01/59/44/337015944.db2.gz BDEDXLIRUZWDOK-JZXOWHBKSA-N 2 2 318.461 2.995 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(C)cc1O ZINC000375661088 337015945 /nfs/dbraw/zinc/01/59/45/337015945.db2.gz BDEDXLIRUZWDOK-JZXOWHBKSA-N 2 2 318.461 2.995 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(F)cc1O ZINC000375895366 337022362 /nfs/dbraw/zinc/02/23/62/337022362.db2.gz LUJKQUNKALZNQQ-UXLLHSPISA-N 2 2 322.424 2.825 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(F)cc1O ZINC000375895366 337022363 /nfs/dbraw/zinc/02/23/63/337022363.db2.gz LUJKQUNKALZNQQ-UXLLHSPISA-N 2 2 322.424 2.825 20 10 DFCDLP COc1ccc(O)c(C[NH2+]C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000237204396 340668943 /nfs/dbraw/zinc/66/89/43/340668943.db2.gz XUYBBQOGGMPTOR-QGZVFWFLSA-N 2 2 300.402 2.793 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1O ZINC000267430787 518285352 /nfs/dbraw/zinc/28/53/52/518285352.db2.gz DADNBNXCBMUNIJ-UHFFFAOYSA-N 2 2 317.364 2.837 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000179986980 524747596 /nfs/dbraw/zinc/74/75/96/524747596.db2.gz FQNDTESRJHYGHL-AWEZNQCLSA-N 2 2 313.401 2.730 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000179986980 524747611 /nfs/dbraw/zinc/74/76/11/524747611.db2.gz FQNDTESRJHYGHL-AWEZNQCLSA-N 2 2 313.401 2.730 20 10 DFCDLP CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC000093865925 398647651 /nfs/dbraw/zinc/64/76/51/398647651.db2.gz PBLZRCYISZMWGZ-MRXNPFEDSA-N 2 2 314.385 2.839 20 10 DFCDLP CCOc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC000093865925 398647654 /nfs/dbraw/zinc/64/76/54/398647654.db2.gz PBLZRCYISZMWGZ-MRXNPFEDSA-N 2 2 314.385 2.839 20 10 DFCDLP COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1O ZINC000091960742 193132422 /nfs/dbraw/zinc/13/24/22/193132422.db2.gz RAKZWRMIHATPCG-ZFWWWQNUSA-N 2 2 301.390 2.680 20 10 DFCDLP COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1O ZINC000091960742 193132424 /nfs/dbraw/zinc/13/24/24/193132424.db2.gz RAKZWRMIHATPCG-ZFWWWQNUSA-N 2 2 301.390 2.680 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c(O)c1C ZINC000273604708 130142939 /nfs/dbraw/zinc/14/29/39/130142939.db2.gz SWCXHZDQBSYWJJ-CJNGLKHVSA-N 2 2 306.450 2.628 20 10 DFCDLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000275713250 130368312 /nfs/dbraw/zinc/36/83/12/130368312.db2.gz YMYOUFHOPLNEOD-MEDUHNTESA-N 2 2 321.808 2.789 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000153231377 426377547 /nfs/dbraw/zinc/37/75/47/426377547.db2.gz MBQVXMDLPTWTIB-APWZRJJASA-N 2 2 319.493 2.762 20 10 DFCDLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(C)cc1O ZINC000280075772 426502128 /nfs/dbraw/zinc/50/21/28/426502128.db2.gz LKJGTTLTCUJDAU-NVXWUHKLSA-N 2 2 306.450 2.710 20 10 DFCDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1O ZINC000184868846 427558003 /nfs/dbraw/zinc/55/80/03/427558003.db2.gz XWALJHCOUVGQHI-SNVBAGLBSA-N 2 2 310.195 2.702 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1O ZINC000373252469 428528473 /nfs/dbraw/zinc/52/84/73/428528473.db2.gz NMXXPNFDLGWOMH-IACUBPJLSA-N 2 2 310.825 2.559 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1O ZINC000373252469 428528477 /nfs/dbraw/zinc/52/84/77/428528477.db2.gz NMXXPNFDLGWOMH-IACUBPJLSA-N 2 2 310.825 2.559 20 10 DFCDLP CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367356299 429629966 /nfs/dbraw/zinc/62/99/66/429629966.db2.gz LTIUBNXRYUIOPN-WMZOPIPTSA-N 2 2 318.461 2.888 20 10 DFCDLP CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367356299 429629970 /nfs/dbraw/zinc/62/99/70/429629970.db2.gz LTIUBNXRYUIOPN-WMZOPIPTSA-N 2 2 318.461 2.888 20 10 DFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1O ZINC000367757468 429712271 /nfs/dbraw/zinc/71/22/71/429712271.db2.gz ZIDNTMSAUGGCSQ-FVQBIDKESA-N 2 2 324.852 2.729 20 10 DFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1O ZINC000367757468 429712276 /nfs/dbraw/zinc/71/22/76/429712276.db2.gz ZIDNTMSAUGGCSQ-FVQBIDKESA-N 2 2 324.852 2.729 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000368314861 429829743 /nfs/dbraw/zinc/82/97/43/429829743.db2.gz GGASTCRUIOKWKH-OLZOCXBDSA-N 2 2 301.390 2.571 20 10 DFCDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)C2 ZINC000375580616 337013869 /nfs/dbraw/zinc/01/38/69/337013869.db2.gz ZLJQSZVBPOGHHU-MNOVXSKESA-N 2 2 307.344 2.841 20 10 DFCDLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2O)[C@@H]1c1cccnc1 ZINC000377253356 337049487 /nfs/dbraw/zinc/04/94/87/337049487.db2.gz CFEXYXKUWFFGEO-YOEHRIQHSA-N 2 2 315.392 2.709 20 10 DFCDLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2O)[C@@H]1c1cccnc1 ZINC000377253356 337049488 /nfs/dbraw/zinc/04/94/88/337049488.db2.gz CFEXYXKUWFFGEO-YOEHRIQHSA-N 2 2 315.392 2.709 20 10 DFCDLP COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377890307 337063532 /nfs/dbraw/zinc/06/35/32/337063532.db2.gz UHOAJCVYECQBEK-QWHCGFSZSA-N 2 2 301.390 2.685 20 10 DFCDLP COc1ccc(O)c([C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377890307 337063533 /nfs/dbraw/zinc/06/35/33/337063533.db2.gz UHOAJCVYECQBEK-QWHCGFSZSA-N 2 2 301.390 2.685 20 10 DFCDLP Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000131117241 526362646 /nfs/dbraw/zinc/36/26/46/526362646.db2.gz VMYOZIITWXHVCR-CQSZACIVSA-N 2 2 324.852 2.590 20 10 DFCDLP Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000131117241 526362654 /nfs/dbraw/zinc/36/26/54/526362654.db2.gz VMYOZIITWXHVCR-CQSZACIVSA-N 2 2 324.852 2.590 20 10 DFCDLP CC1(C)C[NH+]=C(N2CC[NH+](Cc3cccc(F)c3O)CC2)S1 ZINC000272300460 130017675 /nfs/dbraw/zinc/01/76/75/130017675.db2.gz PRLADYBZUXCFLP-UHFFFAOYSA-N 2 2 323.437 2.530 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c(O)c1C ZINC000273604704 130142815 /nfs/dbraw/zinc/14/28/15/130142815.db2.gz SWCXHZDQBSYWJJ-BBRMVZONSA-N 2 2 306.450 2.628 20 10 DFCDLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000275713242 130369247 /nfs/dbraw/zinc/36/92/47/130369247.db2.gz YMYOUFHOPLNEOD-BDJLRTHQSA-N 2 2 321.808 2.789 20 10 DFCDLP COc1cc(Cl)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1O ZINC000228670264 426634727 /nfs/dbraw/zinc/63/47/27/426634727.db2.gz VZNCIRRPWQRQTR-UHFFFAOYSA-N 2 2 310.825 2.771 20 10 DFCDLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273444781 426665352 /nfs/dbraw/zinc/66/53/52/426665352.db2.gz ZRSMSIWUHHKJOL-CYBMUJFWSA-N 2 2 308.422 2.561 20 10 DFCDLP COc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000184698469 427520502 /nfs/dbraw/zinc/52/05/02/427520502.db2.gz IYDYHHQKHGMCBL-RISCZKNCSA-N 2 2 312.841 2.969 20 10 DFCDLP COc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000184698469 427520509 /nfs/dbraw/zinc/52/05/09/427520509.db2.gz IYDYHHQKHGMCBL-RISCZKNCSA-N 2 2 312.841 2.969 20 10 DFCDLP C[C@H]([NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1O ZINC000279029212 427533827 /nfs/dbraw/zinc/53/38/27/427533827.db2.gz VWNZOLCBPGIMLJ-PPHDSNJXSA-N 2 2 319.380 2.836 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184914316 427564677 /nfs/dbraw/zinc/56/46/77/427564677.db2.gz BOUKXHXHZDSNHY-OAGGEKHMSA-N 2 2 306.450 2.851 20 10 DFCDLP C[N@@H+](Cc1cccc(Cl)c1O)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372544728 428459442 /nfs/dbraw/zinc/45/94/42/428459442.db2.gz LYORPGCPJBSTLW-GFCCVEGCSA-N 2 2 305.809 2.937 20 10 DFCDLP C[N@H+](Cc1cccc(Cl)c1O)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372544728 428459449 /nfs/dbraw/zinc/45/94/49/428459449.db2.gz LYORPGCPJBSTLW-GFCCVEGCSA-N 2 2 305.809 2.937 20 10 DFCDLP COc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000373227955 428523674 /nfs/dbraw/zinc/52/36/74/428523674.db2.gz LCKSARIYZUQHSN-AWEZNQCLSA-N 2 2 301.390 2.514 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1O ZINC000373252471 428528563 /nfs/dbraw/zinc/52/85/63/428528563.db2.gz NMXXPNFDLGWOMH-YUTCNCBUSA-N 2 2 310.825 2.559 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1O ZINC000373252471 428528569 /nfs/dbraw/zinc/52/85/69/428528569.db2.gz NMXXPNFDLGWOMH-YUTCNCBUSA-N 2 2 310.825 2.559 20 10 DFCDLP Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362036122 428612176 /nfs/dbraw/zinc/61/21/76/428612176.db2.gz FKGLJJZWJROCQN-IIAWOOMASA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362036122 428612181 /nfs/dbraw/zinc/61/21/81/428612181.db2.gz FKGLJJZWJROCQN-IIAWOOMASA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362036122 428612186 /nfs/dbraw/zinc/61/21/86/428612186.db2.gz FKGLJJZWJROCQN-IIAWOOMASA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362036122 428612190 /nfs/dbraw/zinc/61/21/90/428612190.db2.gz FKGLJJZWJROCQN-IIAWOOMASA-N 2 2 306.837 2.962 20 10 DFCDLP CCOCc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530179796 430101364 /nfs/dbraw/zinc/10/13/64/430101364.db2.gz XQAYKTVTAIDORY-KRWDZBQOSA-N 2 2 304.434 2.606 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCCC[C@H]3CO2)c(O)c1C ZINC000375242463 337006381 /nfs/dbraw/zinc/00/63/81/337006381.db2.gz OJOFTUMWFRVWDM-ULQDDVLXSA-N 2 2 318.461 2.913 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000247882191 341370986 /nfs/dbraw/zinc/37/09/86/341370986.db2.gz BZFXTLZLVUWSMC-GUYCJALGSA-N 2 2 320.408 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000247882191 341370987 /nfs/dbraw/zinc/37/09/87/341370987.db2.gz BZFXTLZLVUWSMC-GUYCJALGSA-N 2 2 320.408 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000247882191 341370988 /nfs/dbraw/zinc/37/09/88/341370988.db2.gz BZFXTLZLVUWSMC-GUYCJALGSA-N 2 2 320.408 2.650 20 10 DFCDLP Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1C ZINC000275537982 130333044 /nfs/dbraw/zinc/33/30/44/130333044.db2.gz MKKYGVKIJQPEDS-QAPCUYQASA-N 2 2 315.417 2.752 20 10 DFCDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461954 426193684 /nfs/dbraw/zinc/19/36/84/426193684.db2.gz RZXFZOGXZPJZDS-PXAZEXFGSA-N 2 2 322.424 2.896 20 10 DFCDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461954 426193686 /nfs/dbraw/zinc/19/36/86/426193686.db2.gz RZXFZOGXZPJZDS-PXAZEXFGSA-N 2 2 322.424 2.896 20 10 DFCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461954 426193690 /nfs/dbraw/zinc/19/36/90/426193690.db2.gz RZXFZOGXZPJZDS-PXAZEXFGSA-N 2 2 322.424 2.896 20 10 DFCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461954 426193692 /nfs/dbraw/zinc/19/36/92/426193692.db2.gz RZXFZOGXZPJZDS-PXAZEXFGSA-N 2 2 322.424 2.896 20 10 DFCDLP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1O ZINC000246809769 426866895 /nfs/dbraw/zinc/86/68/95/426866895.db2.gz RAKZWRMIHATPCG-UKRRQHHQSA-N 2 2 301.390 2.680 20 10 DFCDLP COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1O ZINC000246809769 426866902 /nfs/dbraw/zinc/86/69/02/426866902.db2.gz RAKZWRMIHATPCG-UKRRQHHQSA-N 2 2 301.390 2.680 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000292803909 427201704 /nfs/dbraw/zinc/20/17/04/427201704.db2.gz NWUBQNVBBKVHNB-MRXNPFEDSA-N 2 2 310.825 2.582 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000292803909 427201713 /nfs/dbraw/zinc/20/17/13/427201713.db2.gz NWUBQNVBBKVHNB-MRXNPFEDSA-N 2 2 310.825 2.582 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000292803909 427201717 /nfs/dbraw/zinc/20/17/17/427201717.db2.gz NWUBQNVBBKVHNB-MRXNPFEDSA-N 2 2 310.825 2.582 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000292803909 427201726 /nfs/dbraw/zinc/20/17/26/427201726.db2.gz NWUBQNVBBKVHNB-MRXNPFEDSA-N 2 2 310.825 2.582 20 10 DFCDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1O ZINC000278791104 427451726 /nfs/dbraw/zinc/45/17/26/427451726.db2.gz YRUJTAZFIJBNES-KGLIPLIRSA-N 2 2 310.413 2.683 20 10 DFCDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1O ZINC000278791104 427451730 /nfs/dbraw/zinc/45/17/30/427451730.db2.gz YRUJTAZFIJBNES-KGLIPLIRSA-N 2 2 310.413 2.683 20 10 DFCDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184700346 427521821 /nfs/dbraw/zinc/52/18/21/427521821.db2.gz HFHQYEVXDRNEGP-GFCCVEGCSA-N 2 2 312.841 2.828 20 10 DFCDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184700346 427521825 /nfs/dbraw/zinc/52/18/25/427521825.db2.gz HFHQYEVXDRNEGP-GFCCVEGCSA-N 2 2 312.841 2.828 20 10 DFCDLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(Br)ccc1O ZINC000184841908 427549097 /nfs/dbraw/zinc/54/90/97/427549097.db2.gz JSBYMRYGNQBPCK-SNVBAGLBSA-N 2 2 301.228 2.757 20 10 DFCDLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1O ZINC000185491745 427660753 /nfs/dbraw/zinc/66/07/53/427660753.db2.gz PBYRBWQTALYXAJ-KBPBESRZSA-N 2 2 322.424 2.683 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1O ZINC000287896186 427711785 /nfs/dbraw/zinc/71/17/85/427711785.db2.gz ZHUOGXWZSJGPKZ-DOMZBBRYSA-N 2 2 312.841 2.543 20 10 DFCDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000367702077 429703716 /nfs/dbraw/zinc/70/37/16/429703716.db2.gz LXQVCOCTYWFRIH-SNVBAGLBSA-N 2 2 309.772 2.908 20 10 DFCDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000367702077 429703719 /nfs/dbraw/zinc/70/37/19/429703719.db2.gz LXQVCOCTYWFRIH-SNVBAGLBSA-N 2 2 309.772 2.908 20 10 DFCDLP CCCOc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(O)c1 ZINC000368090143 429785910 /nfs/dbraw/zinc/78/59/10/429785910.db2.gz PPERHQBDLHPTOY-ZDUSSCGKSA-N 2 2 301.390 2.551 20 10 DFCDLP CCCOc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(O)c1 ZINC000368090143 429785912 /nfs/dbraw/zinc/78/59/12/429785912.db2.gz PPERHQBDLHPTOY-ZDUSSCGKSA-N 2 2 301.390 2.551 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccccc1O ZINC000368408312 429845127 /nfs/dbraw/zinc/84/51/27/429845127.db2.gz WPGMKYFVPSZWHP-NJAFHUGGSA-N 2 2 318.461 2.934 20 10 DFCDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000368717031 429890231 /nfs/dbraw/zinc/89/02/31/429890231.db2.gz WXAIYZRPPSULCV-ZDUSSCGKSA-N 2 2 303.381 2.720 20 10 DFCDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000368717031 429890233 /nfs/dbraw/zinc/89/02/33/429890233.db2.gz WXAIYZRPPSULCV-ZDUSSCGKSA-N 2 2 303.381 2.720 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c(O)c1C ZINC000375242461 337006445 /nfs/dbraw/zinc/00/64/45/337006445.db2.gz OJOFTUMWFRVWDM-BBWFWOEESA-N 2 2 318.461 2.913 20 10 DFCDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156568720 521658423 /nfs/dbraw/zinc/65/84/23/521658423.db2.gz OYPXALQQNJNJNP-SFHVURJKSA-N 2 2 317.477 2.738 20 10 DFCDLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156568720 521658427 /nfs/dbraw/zinc/65/84/27/521658427.db2.gz OYPXALQQNJNJNP-SFHVURJKSA-N 2 2 317.477 2.738 20 10 DFCDLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1O ZINC000180454254 524867064 /nfs/dbraw/zinc/86/70/64/524867064.db2.gz OFQXLGLKTPCAOE-CQSZACIVSA-N 2 2 324.852 2.508 20 10 DFCDLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1O ZINC000180454254 524867072 /nfs/dbraw/zinc/86/70/72/524867072.db2.gz OFQXLGLKTPCAOE-CQSZACIVSA-N 2 2 324.852 2.508 20 10 DFCDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469368 185172746 /nfs/dbraw/zinc/17/27/46/185172746.db2.gz SPLLYGZKXWDWJF-CQSZACIVSA-N 2 2 322.424 2.898 20 10 DFCDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469368 185172747 /nfs/dbraw/zinc/17/27/47/185172747.db2.gz SPLLYGZKXWDWJF-CQSZACIVSA-N 2 2 322.424 2.898 20 10 DFCDLP CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(O)c1 ZINC000272696276 130054542 /nfs/dbraw/zinc/05/45/42/130054542.db2.gz XWIJDVRSRXBFTJ-PBHICJAKSA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(O)c1 ZINC000272696276 130054545 /nfs/dbraw/zinc/05/45/45/130054545.db2.gz XWIJDVRSRXBFTJ-PBHICJAKSA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(O)c1 ZINC000272696276 130054547 /nfs/dbraw/zinc/05/45/47/130054547.db2.gz XWIJDVRSRXBFTJ-PBHICJAKSA-N 2 2 304.434 2.707 20 10 DFCDLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(O)c1 ZINC000272696276 130054549 /nfs/dbraw/zinc/05/45/49/130054549.db2.gz XWIJDVRSRXBFTJ-PBHICJAKSA-N 2 2 304.434 2.707 20 10 DFCDLP Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1C ZINC000275537975 130332088 /nfs/dbraw/zinc/33/20/88/130332088.db2.gz MKKYGVKIJQPEDS-CRAIPNDOSA-N 2 2 315.417 2.752 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1O ZINC000285439738 131168945 /nfs/dbraw/zinc/16/89/45/131168945.db2.gz IEZRHNIYEYKXKB-XYPWUTKMSA-N 2 2 320.408 2.791 20 10 DFCDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000113317011 426112168 /nfs/dbraw/zinc/11/21/68/426112168.db2.gz QUNXTYJOOCTBRJ-CHWSQXEVSA-N 2 2 312.841 2.635 20 10 DFCDLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000268980099 427142083 /nfs/dbraw/zinc/14/20/83/427142083.db2.gz OPOZUQIRQOZCSR-WMLDXEAASA-N 2 2 307.507 2.841 20 10 DFCDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1O ZINC000278791103 427452961 /nfs/dbraw/zinc/45/29/61/427452961.db2.gz YRUJTAZFIJBNES-KBPBESRZSA-N 2 2 310.413 2.683 20 10 DFCDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1O ZINC000278791103 427452967 /nfs/dbraw/zinc/45/29/67/427452967.db2.gz YRUJTAZFIJBNES-KBPBESRZSA-N 2 2 310.413 2.683 20 10 DFCDLP CCOc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1O ZINC000271189277 427437991 /nfs/dbraw/zinc/43/79/91/427437991.db2.gz LQHWCKZFYGEFKW-UHFFFAOYSA-N 2 2 301.390 2.894 20 10 DFCDLP C[C@H]([NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1cc(F)ccc1O ZINC000278938130 427506374 /nfs/dbraw/zinc/50/63/74/427506374.db2.gz JZAPTYOYSYIMST-PLQHRBFRSA-N 2 2 319.380 2.836 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184914431 427564437 /nfs/dbraw/zinc/56/44/37/427564437.db2.gz BLWTZZVZQOOJAE-KFWWJZLASA-N 2 2 322.449 2.551 20 10 DFCDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1O ZINC000185142562 427602314 /nfs/dbraw/zinc/60/23/14/427602314.db2.gz IQCDRSXOZPBZSL-ZYHUDNBSSA-N 2 2 313.239 2.900 20 10 DFCDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1O ZINC000185142562 427602327 /nfs/dbraw/zinc/60/23/27/427602327.db2.gz IQCDRSXOZPBZSL-ZYHUDNBSSA-N 2 2 313.239 2.900 20 10 DFCDLP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000367703997 429703657 /nfs/dbraw/zinc/70/36/57/429703657.db2.gz OEPVCZMHXZOQFG-CYBMUJFWSA-N 2 2 301.390 2.514 20 10 DFCDLP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000367703997 429703662 /nfs/dbraw/zinc/70/36/62/429703662.db2.gz OEPVCZMHXZOQFG-CYBMUJFWSA-N 2 2 301.390 2.514 20 10 DFCDLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(F)ccc1O ZINC000368477937 429854898 /nfs/dbraw/zinc/85/48/98/429854898.db2.gz LWCCMBTZQBFDCU-GFCCVEGCSA-N 2 2 303.381 2.957 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c(O)c1 ZINC000376894160 337043332 /nfs/dbraw/zinc/04/33/32/337043332.db2.gz RORXJHWZLGRMGA-XHSDSOJGSA-N 2 2 304.434 2.605 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c(O)c1 ZINC000376894160 337043333 /nfs/dbraw/zinc/04/33/33/337043333.db2.gz RORXJHWZLGRMGA-XHSDSOJGSA-N 2 2 304.434 2.605 20 10 DFCDLP C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377862803 337062906 /nfs/dbraw/zinc/06/29/06/337062906.db2.gz ZEVJLYAPAIEUEM-GFCCVEGCSA-N 2 2 305.809 2.937 20 10 DFCDLP C[N@H+](Cc1c(O)cccc1Cl)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377862803 337062907 /nfs/dbraw/zinc/06/29/07/337062907.db2.gz ZEVJLYAPAIEUEM-GFCCVEGCSA-N 2 2 305.809 2.937 20 10 DFCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182088050 337184231 /nfs/dbraw/zinc/18/42/31/337184231.db2.gz FMBYKYZVZUTLGN-KRWDZBQOSA-N 2 2 312.461 2.941 20 10 DFCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182088050 337184232 /nfs/dbraw/zinc/18/42/32/337184232.db2.gz FMBYKYZVZUTLGN-KRWDZBQOSA-N 2 2 312.461 2.941 20 10 DFCDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)ccc1O ZINC000227441934 337205217 /nfs/dbraw/zinc/20/52/17/337205217.db2.gz DXKOQTQJGMNJMQ-JTQLQIEISA-N 2 2 301.228 2.585 20 10 DFCDLP COc1ccc(N2CCC([NH2+]CC[NH+]3CCCCC3)CC2)cc1 ZINC000128243618 337424637 /nfs/dbraw/zinc/42/46/37/337424637.db2.gz SPCCTFPQQUFGBB-UHFFFAOYSA-N 2 2 317.477 2.740 20 10 DFCDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180138743 522597854 /nfs/dbraw/zinc/59/78/54/522597854.db2.gz AMXKXWONHAPMQI-HNNXBMFYSA-N 2 2 315.417 2.997 20 10 DFCDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000180138743 522597865 /nfs/dbraw/zinc/59/78/65/522597865.db2.gz AMXKXWONHAPMQI-HNNXBMFYSA-N 2 2 315.417 2.997 20 10 DFCDLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1O ZINC000180454273 524864438 /nfs/dbraw/zinc/86/44/38/524864438.db2.gz OFQXLGLKTPCAOE-AWEZNQCLSA-N 2 2 324.852 2.508 20 10 DFCDLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1O ZINC000180454273 524864449 /nfs/dbraw/zinc/86/44/49/524864449.db2.gz OFQXLGLKTPCAOE-AWEZNQCLSA-N 2 2 324.852 2.508 20 10 DFCDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C2 ZINC000372775618 525924148 /nfs/dbraw/zinc/92/41/48/525924148.db2.gz KORQNWBEIUCZRA-JTQLQIEISA-N 2 2 309.772 2.794 20 10 DFCDLP CCOc1ccc(O)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648911 185331309 /nfs/dbraw/zinc/33/13/09/185331309.db2.gz VCQVRKWNPREZFA-UHFFFAOYSA-N 2 2 301.390 2.825 20 10 DFCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000272373231 130024888 /nfs/dbraw/zinc/02/48/88/130024888.db2.gz GXOQCVVMBLJWAW-GUYCJALGSA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000272373231 130024890 /nfs/dbraw/zinc/02/48/90/130024890.db2.gz GXOQCVVMBLJWAW-GUYCJALGSA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000272373231 130024891 /nfs/dbraw/zinc/02/48/91/130024891.db2.gz GXOQCVVMBLJWAW-GUYCJALGSA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000272373231 130024895 /nfs/dbraw/zinc/02/48/95/130024895.db2.gz GXOQCVVMBLJWAW-GUYCJALGSA-N 2 2 304.409 2.980 20 10 DFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000273484275 130126605 /nfs/dbraw/zinc/12/66/05/130126605.db2.gz MUUXKWLSWLGYTR-CYBMUJFWSA-N 2 2 320.433 2.702 20 10 DFCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c(O)c1C ZINC000273604716 130143776 /nfs/dbraw/zinc/14/37/76/130143776.db2.gz SWCXHZDQBSYWJJ-XJKSGUPXSA-N 2 2 306.450 2.628 20 10 DFCDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(OC)c1O ZINC000230744872 542892891 /nfs/dbraw/zinc/89/28/91/542892891.db2.gz ZBXLSULJCHOQHT-UHFFFAOYSA-N 2 2 300.830 2.828 20 10 DFCDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(OC)c1O ZINC000230744872 542892894 /nfs/dbraw/zinc/89/28/94/542892894.db2.gz ZBXLSULJCHOQHT-UHFFFAOYSA-N 2 2 300.830 2.828 20 10 DFCDLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000153231673 426377541 /nfs/dbraw/zinc/37/75/41/426377541.db2.gz MBQVXMDLPTWTIB-QFBILLFUSA-N 2 2 319.493 2.762 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290409285 426757689 /nfs/dbraw/zinc/75/76/89/426757689.db2.gz JXTMHPUWHKJIFC-FZMZJTMJSA-N 2 2 312.841 2.826 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1O ZINC000290409285 426757695 /nfs/dbraw/zinc/75/76/95/426757695.db2.gz JXTMHPUWHKJIFC-FZMZJTMJSA-N 2 2 312.841 2.826 20 10 DFCDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000179630717 426807540 /nfs/dbraw/zinc/80/75/40/426807540.db2.gz YMGLRVADWVLGBF-NSHDSACASA-N 2 2 313.239 2.538 20 10 DFCDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000179630717 426807548 /nfs/dbraw/zinc/80/75/48/426807548.db2.gz YMGLRVADWVLGBF-NSHDSACASA-N 2 2 313.239 2.538 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000292803907 427202072 /nfs/dbraw/zinc/20/20/72/427202072.db2.gz NWUBQNVBBKVHNB-INIZCTEOSA-N 2 2 310.825 2.582 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000292803907 427202079 /nfs/dbraw/zinc/20/20/79/427202079.db2.gz NWUBQNVBBKVHNB-INIZCTEOSA-N 2 2 310.825 2.582 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC000292803907 427202088 /nfs/dbraw/zinc/20/20/88/427202088.db2.gz NWUBQNVBBKVHNB-INIZCTEOSA-N 2 2 310.825 2.582 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000292803907 427202095 /nfs/dbraw/zinc/20/20/95/427202095.db2.gz NWUBQNVBBKVHNB-INIZCTEOSA-N 2 2 310.825 2.582 20 10 DFCDLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O ZINC000184914374 427563083 /nfs/dbraw/zinc/56/30/83/427563083.db2.gz QHBPIQSKLPJGDC-MCIONIFRSA-N 2 2 310.413 2.681 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccccc1O ZINC000371681556 428399948 /nfs/dbraw/zinc/39/99/48/428399948.db2.gz ROQGURLERIANNP-YQQAZPJKSA-N 2 2 304.434 2.544 20 10 DFCDLP CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367356298 429629706 /nfs/dbraw/zinc/62/97/06/429629706.db2.gz LTIUBNXRYUIOPN-FUHWJXTLSA-N 2 2 318.461 2.888 20 10 DFCDLP CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367356298 429629708 /nfs/dbraw/zinc/62/97/08/429629708.db2.gz LTIUBNXRYUIOPN-FUHWJXTLSA-N 2 2 318.461 2.888 20 10 DFCDLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Cl)ccc1O ZINC000185115957 279467351 /nfs/dbraw/zinc/46/73/51/279467351.db2.gz GOTPLDKTCRDECI-LBPRGKRZSA-N 2 2 312.841 2.543 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c(O)c1 ZINC000371870275 336915373 /nfs/dbraw/zinc/91/53/73/336915373.db2.gz OXWJLLLDYPOIDH-BQFCYCMXSA-N 2 2 318.461 2.852 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000376892182 337043279 /nfs/dbraw/zinc/04/32/79/337043279.db2.gz IGMKATRHAQBELR-AEGPPILISA-N 2 2 324.852 2.950 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000376892182 337043280 /nfs/dbraw/zinc/04/32/80/337043280.db2.gz IGMKATRHAQBELR-AEGPPILISA-N 2 2 324.852 2.950 20 10 DFCDLP C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377858612 337062635 /nfs/dbraw/zinc/06/26/35/337062635.db2.gz AEVQPOMJWONOJB-GFCCVEGCSA-N 2 2 305.809 2.937 20 10 DFCDLP C[N@H+](Cc1cccc(Cl)c1O)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377858612 337062636 /nfs/dbraw/zinc/06/26/36/337062636.db2.gz AEVQPOMJWONOJB-GFCCVEGCSA-N 2 2 305.809 2.937 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000129151194 518287245 /nfs/dbraw/zinc/28/72/45/518287245.db2.gz BZFXTLZLVUWSMC-DYVFJYSZSA-N 2 2 320.408 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000129151194 518287249 /nfs/dbraw/zinc/28/72/49/518287249.db2.gz BZFXTLZLVUWSMC-DYVFJYSZSA-N 2 2 320.408 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000129151194 518287253 /nfs/dbraw/zinc/28/72/53/518287253.db2.gz BZFXTLZLVUWSMC-DYVFJYSZSA-N 2 2 320.408 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000129151194 518287258 /nfs/dbraw/zinc/28/72/58/518287258.db2.gz BZFXTLZLVUWSMC-DYVFJYSZSA-N 2 2 320.408 2.650 20 10 DFCDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180138729 522593576 /nfs/dbraw/zinc/59/35/76/522593576.db2.gz AMXKXWONHAPMQI-OAHLLOKOSA-N 2 2 315.417 2.997 20 10 DFCDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000180138729 522593580 /nfs/dbraw/zinc/59/35/80/522593580.db2.gz AMXKXWONHAPMQI-OAHLLOKOSA-N 2 2 315.417 2.997 20 10 DFCDLP Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000180031984 526326946 /nfs/dbraw/zinc/32/69/46/526326946.db2.gz ZHJXJPYETBLTEY-CQSZACIVSA-N 2 2 324.852 2.590 20 10 DFCDLP Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000180031984 526326949 /nfs/dbraw/zinc/32/69/49/526326949.db2.gz ZHJXJPYETBLTEY-CQSZACIVSA-N 2 2 324.852 2.590 20 10 DFCDLP CC[N@H+](Cc1c[nH+]c[nH]1)Cc1cc(Br)ccc1O ZINC000093866956 426359786 /nfs/dbraw/zinc/35/97/86/426359786.db2.gz LLVGKICFPQSRMN-UHFFFAOYSA-N 2 2 310.195 2.900 20 10 DFCDLP CC[N@@H+](Cc1c[nH+]c[nH]1)Cc1cc(Br)ccc1O ZINC000093866956 426359789 /nfs/dbraw/zinc/35/97/89/426359789.db2.gz LLVGKICFPQSRMN-UHFFFAOYSA-N 2 2 310.195 2.900 20 10 DFCDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000179630728 426806777 /nfs/dbraw/zinc/80/67/77/426806777.db2.gz YMGLRVADWVLGBF-LLVKDONJSA-N 2 2 313.239 2.538 20 10 DFCDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000179630728 426806780 /nfs/dbraw/zinc/80/67/80/426806780.db2.gz YMGLRVADWVLGBF-LLVKDONJSA-N 2 2 313.239 2.538 20 10 DFCDLP CCCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(O)c1 ZINC000290561200 426794040 /nfs/dbraw/zinc/79/40/40/426794040.db2.gz SIYBWVBRCXCFMZ-UHFFFAOYSA-N 2 2 303.406 2.900 20 10 DFCDLP CCCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(O)c1 ZINC000290561200 426794043 /nfs/dbraw/zinc/79/40/43/426794043.db2.gz SIYBWVBRCXCFMZ-UHFFFAOYSA-N 2 2 303.406 2.900 20 10 DFCDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859546 427465730 /nfs/dbraw/zinc/46/57/30/427465730.db2.gz IFLIOMKNDVWNGD-IINYFYTJSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859546 427465737 /nfs/dbraw/zinc/46/57/37/427465737.db2.gz IFLIOMKNDVWNGD-IINYFYTJSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859546 427465743 /nfs/dbraw/zinc/46/57/43/427465743.db2.gz IFLIOMKNDVWNGD-IINYFYTJSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859546 427465748 /nfs/dbraw/zinc/46/57/48/427465748.db2.gz IFLIOMKNDVWNGD-IINYFYTJSA-N 2 2 300.805 2.957 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914279 427565061 /nfs/dbraw/zinc/56/50/61/427565061.db2.gz BOUKXHXHZDSNHY-XHSDSOJGSA-N 2 2 306.450 2.851 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914279 427565067 /nfs/dbraw/zinc/56/50/67/427565067.db2.gz BOUKXHXHZDSNHY-XHSDSOJGSA-N 2 2 306.450 2.851 20 10 DFCDLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185144747 427602721 /nfs/dbraw/zinc/60/27/21/427602721.db2.gz MJTXGUVRMCNUBD-GFCCVEGCSA-N 2 2 312.841 2.807 20 10 DFCDLP Oc1c(Br)cccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178711 430101843 /nfs/dbraw/zinc/10/18/43/430101843.db2.gz MQYFGAXBNLIIQM-LBPRGKRZSA-N 2 2 311.223 2.529 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1O ZINC000293675167 335114636 /nfs/dbraw/zinc/11/46/36/335114636.db2.gz PDUNNPJMHIYXIR-KRWDZBQOSA-N 2 2 324.852 2.972 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1O ZINC000293675167 335114638 /nfs/dbraw/zinc/11/46/38/335114638.db2.gz PDUNNPJMHIYXIR-KRWDZBQOSA-N 2 2 324.852 2.972 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293675167 335114639 /nfs/dbraw/zinc/11/46/39/335114639.db2.gz PDUNNPJMHIYXIR-KRWDZBQOSA-N 2 2 324.852 2.972 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293675167 335114641 /nfs/dbraw/zinc/11/46/41/335114641.db2.gz PDUNNPJMHIYXIR-KRWDZBQOSA-N 2 2 324.852 2.972 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000375661089 337015948 /nfs/dbraw/zinc/01/59/48/337015948.db2.gz BDEDXLIRUZWDOK-NUJGCVRESA-N 2 2 318.461 2.995 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000375661089 337015949 /nfs/dbraw/zinc/01/59/49/337015949.db2.gz BDEDXLIRUZWDOK-NUJGCVRESA-N 2 2 318.461 2.995 20 10 DFCDLP COc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000184728628 337200151 /nfs/dbraw/zinc/20/01/51/337200151.db2.gz CMMLFKDOBSHMJV-CQSZACIVSA-N 2 2 315.417 2.589 20 10 DFCDLP COc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000184728628 337200152 /nfs/dbraw/zinc/20/01/52/337200152.db2.gz CMMLFKDOBSHMJV-CQSZACIVSA-N 2 2 315.417 2.589 20 10 DFCDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C2 ZINC000372775622 525919463 /nfs/dbraw/zinc/91/94/63/525919463.db2.gz KORQNWBEIUCZRA-SNVBAGLBSA-N 2 2 309.772 2.794 20 10 DFCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368436706 526344674 /nfs/dbraw/zinc/34/46/74/526344674.db2.gz ZKVKZUMTGMXGPK-SNVBAGLBSA-N 2 2 309.772 2.733 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000090917692 398496876 /nfs/dbraw/zinc/49/68/76/398496876.db2.gz RUYSEBYIKFAGEP-IPELMVKDSA-N 2 2 317.477 2.657 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000090917692 398496877 /nfs/dbraw/zinc/49/68/77/398496877.db2.gz RUYSEBYIKFAGEP-IPELMVKDSA-N 2 2 317.477 2.657 20 10 DFCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1O ZINC000273481191 299273826 /nfs/dbraw/zinc/27/38/26/299273826.db2.gz MBAQNQVLMZUHPH-ZLIFDBKOSA-N 2 2 322.424 2.560 20 10 DFCDLP CCOc1ccc(O)c(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)c1 ZINC000091892904 193123318 /nfs/dbraw/zinc/12/33/18/193123318.db2.gz WCUHILNMYULDOF-CVEARBPZSA-N 2 2 304.434 2.850 20 10 DFCDLP CCOc1ccc(O)c(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)c1 ZINC000091892904 193123319 /nfs/dbraw/zinc/12/33/19/193123319.db2.gz WCUHILNMYULDOF-CVEARBPZSA-N 2 2 304.434 2.850 20 10 DFCDLP CCOc1ccc(O)c(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)c1 ZINC000091892904 193123320 /nfs/dbraw/zinc/12/33/20/193123320.db2.gz WCUHILNMYULDOF-CVEARBPZSA-N 2 2 304.434 2.850 20 10 DFCDLP CCOc1ccc(O)c(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)c1 ZINC000091892904 193123321 /nfs/dbraw/zinc/12/33/21/193123321.db2.gz WCUHILNMYULDOF-CVEARBPZSA-N 2 2 304.434 2.850 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000175678892 426321606 /nfs/dbraw/zinc/32/16/06/426321606.db2.gz PMZKAAWUXOXYLG-ZDUSSCGKSA-N 2 2 308.397 2.508 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000175678892 426321607 /nfs/dbraw/zinc/32/16/07/426321607.db2.gz PMZKAAWUXOXYLG-ZDUSSCGKSA-N 2 2 308.397 2.508 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1O ZINC000175678892 426321608 /nfs/dbraw/zinc/32/16/08/426321608.db2.gz PMZKAAWUXOXYLG-ZDUSSCGKSA-N 2 2 308.397 2.508 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1O ZINC000175678892 426321610 /nfs/dbraw/zinc/32/16/10/426321610.db2.gz PMZKAAWUXOXYLG-ZDUSSCGKSA-N 2 2 308.397 2.508 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000273699563 426710580 /nfs/dbraw/zinc/71/05/80/426710580.db2.gz CZKHZHSHBMJERQ-BXUZGUMPSA-N 2 2 310.825 2.580 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000273699563 426710583 /nfs/dbraw/zinc/71/05/83/426710583.db2.gz CZKHZHSHBMJERQ-BXUZGUMPSA-N 2 2 310.825 2.580 20 10 DFCDLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000268980100 427142096 /nfs/dbraw/zinc/14/20/96/427142096.db2.gz OPOZUQIRQOZCSR-YOEHRIQHSA-N 2 2 307.507 2.841 20 10 DFCDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859551 427465218 /nfs/dbraw/zinc/46/52/18/427465218.db2.gz IFLIOMKNDVWNGD-QMTHXVAHSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859551 427465222 /nfs/dbraw/zinc/46/52/22/427465222.db2.gz IFLIOMKNDVWNGD-QMTHXVAHSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859551 427465228 /nfs/dbraw/zinc/46/52/28/427465228.db2.gz IFLIOMKNDVWNGD-QMTHXVAHSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859551 427465233 /nfs/dbraw/zinc/46/52/33/427465233.db2.gz IFLIOMKNDVWNGD-QMTHXVAHSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000184914355 427563797 /nfs/dbraw/zinc/56/37/97/427563797.db2.gz QHBPIQSKLPJGDC-IHRRRGAJSA-N 2 2 310.413 2.681 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(F)ccc1O ZINC000371870626 428406285 /nfs/dbraw/zinc/40/62/85/428406285.db2.gz RLCIZVKJGDXTAT-ZQIUZPCESA-N 2 2 322.424 2.683 20 10 DFCDLP C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367667079 429695802 /nfs/dbraw/zinc/69/58/02/429695802.db2.gz AAMTXQUMKPXRKL-LBPRGKRZSA-N 2 2 305.809 2.937 20 10 DFCDLP C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367667079 429695806 /nfs/dbraw/zinc/69/58/06/429695806.db2.gz AAMTXQUMKPXRKL-LBPRGKRZSA-N 2 2 305.809 2.937 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000184914414 295168371 /nfs/dbraw/zinc/16/83/71/295168371.db2.gz BLWTZZVZQOOJAE-KKUMJFAQSA-N 2 2 322.449 2.551 20 10 DFCDLP CN(C)c1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1F ZINC000372588619 336934962 /nfs/dbraw/zinc/93/49/62/336934962.db2.gz SBXVJGURVLHCSJ-CQSZACIVSA-N 2 2 302.397 2.755 20 10 DFCDLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1O ZINC000287896194 535805083 /nfs/dbraw/zinc/80/50/83/535805083.db2.gz ZHUOGXWZSJGPKZ-SWLSCSKDSA-N 2 2 312.841 2.543 20 10 DFCDLP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(F)cc1O ZINC000286267497 535893979 /nfs/dbraw/zinc/89/39/79/535893979.db2.gz VFXPQHUNDHUGKW-INIZCTEOSA-N 2 2 310.413 2.683 20 10 DFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000273354532 536793628 /nfs/dbraw/zinc/79/36/28/536793628.db2.gz CLCASNYOFHVYBY-ZDUSSCGKSA-N 2 2 314.385 2.776 20 10 DFCDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469626 185172837 /nfs/dbraw/zinc/17/28/37/185172837.db2.gz RUMMFMFECGNPMW-CYBMUJFWSA-N 2 2 308.397 2.508 20 10 DFCDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469626 185172838 /nfs/dbraw/zinc/17/28/38/185172838.db2.gz RUMMFMFECGNPMW-CYBMUJFWSA-N 2 2 308.397 2.508 20 10 DFCDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469626 185172839 /nfs/dbraw/zinc/17/28/39/185172839.db2.gz RUMMFMFECGNPMW-CYBMUJFWSA-N 2 2 308.397 2.508 20 10 DFCDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469626 185172840 /nfs/dbraw/zinc/17/28/40/185172840.db2.gz RUMMFMFECGNPMW-CYBMUJFWSA-N 2 2 308.397 2.508 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1O ZINC000278864809 299319808 /nfs/dbraw/zinc/31/98/08/299319808.db2.gz BEUYGCARMUHXQI-WDEREUQCSA-N 2 2 307.344 2.780 20 10 DFCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000272297439 130017813 /nfs/dbraw/zinc/01/78/13/130017813.db2.gz PBHYXKDRBRNBTI-CYBMUJFWSA-N 2 2 301.365 2.860 20 10 DFCDLP Oc1c(F)cccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000272297439 130017817 /nfs/dbraw/zinc/01/78/17/130017817.db2.gz PBHYXKDRBRNBTI-CYBMUJFWSA-N 2 2 301.365 2.860 20 10 DFCDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000113317006 426111661 /nfs/dbraw/zinc/11/16/61/426111661.db2.gz QUNXTYJOOCTBRJ-BETUJISGSA-N 2 2 312.841 2.635 20 10 DFCDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000113317006 426111664 /nfs/dbraw/zinc/11/16/64/426111664.db2.gz QUNXTYJOOCTBRJ-BETUJISGSA-N 2 2 312.841 2.635 20 10 DFCDLP CCC[N@@H+](c1ccc(C[NH3+])cc1)[C@H](C)C1CCS(=O)(=O)CC1 ZINC000280655074 426627340 /nfs/dbraw/zinc/62/73/40/426627340.db2.gz SLGUULOSBGYOQU-CQSZACIVSA-N 2 2 324.490 2.575 20 10 DFCDLP CCC[N@H+](c1ccc(C[NH3+])cc1)[C@H](C)C1CCS(=O)(=O)CC1 ZINC000280655074 426627346 /nfs/dbraw/zinc/62/73/46/426627346.db2.gz SLGUULOSBGYOQU-CQSZACIVSA-N 2 2 324.490 2.575 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290409290 426758947 /nfs/dbraw/zinc/75/89/47/426758947.db2.gz JXTMHPUWHKJIFC-RISCZKNCSA-N 2 2 312.841 2.826 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290409290 426758951 /nfs/dbraw/zinc/75/89/51/426758951.db2.gz JXTMHPUWHKJIFC-RISCZKNCSA-N 2 2 312.841 2.826 20 10 DFCDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(Cl)c2O)CCCO1 ZINC000277386442 427186520 /nfs/dbraw/zinc/18/65/20/427186520.db2.gz GNLWBLYNNYQFTM-CYBMUJFWSA-N 2 2 312.841 2.636 20 10 DFCDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(Cl)c2O)CCCO1 ZINC000277386442 427186526 /nfs/dbraw/zinc/18/65/26/427186526.db2.gz GNLWBLYNNYQFTM-CYBMUJFWSA-N 2 2 312.841 2.636 20 10 DFCDLP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccccc1O ZINC000278875003 427483375 /nfs/dbraw/zinc/48/33/75/427483375.db2.gz CCIIOILBUYIVGD-OGHNNQOOSA-N 2 2 301.390 2.697 20 10 DFCDLP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184914296 427564152 /nfs/dbraw/zinc/56/41/52/427564152.db2.gz BOUKXHXHZDSNHY-BZUAXINKSA-N 2 2 306.450 2.851 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000184914631 427564894 /nfs/dbraw/zinc/56/48/94/427564894.db2.gz XLOCIGAAGLWLGC-OAGGEKHMSA-N 2 2 306.450 2.851 20 10 DFCDLP COc1cc(O)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000271694944 427580371 /nfs/dbraw/zinc/58/03/71/427580371.db2.gz AMNAPRALICSJCL-UHFFFAOYSA-N 2 2 317.389 2.512 20 10 DFCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1O ZINC000185114824 427595791 /nfs/dbraw/zinc/59/57/91/427595791.db2.gz JIZIAVXNAGRYTL-TZMCWYRMSA-N 2 2 312.841 2.543 20 10 DFCDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185144730 427602169 /nfs/dbraw/zinc/60/21/69/427602169.db2.gz MJTXGUVRMCNUBD-LBPRGKRZSA-N 2 2 312.841 2.807 20 10 DFCDLP Oc1ccc(Br)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370728449 428286758 /nfs/dbraw/zinc/28/67/58/428286758.db2.gz AUNWIWUOVCJLDB-LLVKDONJSA-N 2 2 322.206 2.525 20 10 DFCDLP Oc1ccc(Br)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370728449 428286761 /nfs/dbraw/zinc/28/67/61/428286761.db2.gz AUNWIWUOVCJLDB-LLVKDONJSA-N 2 2 322.206 2.525 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1 ZINC000371868797 428407016 /nfs/dbraw/zinc/40/70/16/428407016.db2.gz CCNGNPCDWIPUKO-LZLYRXPVSA-N 2 2 318.461 2.852 20 10 DFCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373227921 428525002 /nfs/dbraw/zinc/52/50/02/428525002.db2.gz KXHJOESJYLTJNU-CQSZACIVSA-N 2 2 315.417 2.904 20 10 DFCDLP CCCOc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(O)c1 ZINC000368136248 429794657 /nfs/dbraw/zinc/79/46/57/429794657.db2.gz UGDBREWEWAHEEB-HNNXBMFYSA-N 2 2 315.417 2.904 20 10 DFCDLP CCCOc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(O)c1 ZINC000368136248 429794662 /nfs/dbraw/zinc/79/46/62/429794662.db2.gz UGDBREWEWAHEEB-HNNXBMFYSA-N 2 2 315.417 2.904 20 10 DFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000368596067 429875448 /nfs/dbraw/zinc/87/54/48/429875448.db2.gz ZLIRPHIBGGIQRT-AWEZNQCLSA-N 2 2 302.397 2.615 20 10 DFCDLP CN(C)c1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000368596067 429875450 /nfs/dbraw/zinc/87/54/50/429875450.db2.gz ZLIRPHIBGGIQRT-AWEZNQCLSA-N 2 2 302.397 2.615 20 10 DFCDLP C[N@@H+](Cc1ccccc1O)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376681166 337039564 /nfs/dbraw/zinc/03/95/64/337039564.db2.gz PYOZPVKBBZNAHY-HKUYNNGSSA-N 2 2 311.429 2.912 20 10 DFCDLP C[N@H+](Cc1ccccc1O)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376681166 337039565 /nfs/dbraw/zinc/03/95/65/337039565.db2.gz PYOZPVKBBZNAHY-HKUYNNGSSA-N 2 2 311.429 2.912 20 10 DFCDLP C[NH+](Cc1ccccc1O)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000376681166 337039566 /nfs/dbraw/zinc/03/95/66/337039566.db2.gz PYOZPVKBBZNAHY-HKUYNNGSSA-N 2 2 311.429 2.912 20 10 DFCDLP C[NH+](Cc1ccccc1O)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000376681166 337039567 /nfs/dbraw/zinc/03/95/67/337039567.db2.gz PYOZPVKBBZNAHY-HKUYNNGSSA-N 2 2 311.429 2.912 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c(O)c1 ZINC000376894157 337043300 /nfs/dbraw/zinc/04/33/00/337043300.db2.gz RORXJHWZLGRMGA-ARFHVFGLSA-N 2 2 304.434 2.605 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c(O)c1 ZINC000376894157 337043301 /nfs/dbraw/zinc/04/33/01/337043301.db2.gz RORXJHWZLGRMGA-ARFHVFGLSA-N 2 2 304.434 2.605 20 10 DFCDLP CCOc1ccc(O)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000377231193 337048968 /nfs/dbraw/zinc/04/89/68/337048968.db2.gz IKMXCFHOEYWPIM-UHFFFAOYSA-N 2 2 301.390 2.894 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000129150974 518286240 /nfs/dbraw/zinc/28/62/40/518286240.db2.gz BZFXTLZLVUWSMC-CXAGYDPISA-N 2 2 320.408 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000129150974 518286247 /nfs/dbraw/zinc/28/62/47/518286247.db2.gz BZFXTLZLVUWSMC-CXAGYDPISA-N 2 2 320.408 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000129150974 518286253 /nfs/dbraw/zinc/28/62/53/518286253.db2.gz BZFXTLZLVUWSMC-CXAGYDPISA-N 2 2 320.408 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000129150974 518286259 /nfs/dbraw/zinc/28/62/59/518286259.db2.gz BZFXTLZLVUWSMC-CXAGYDPISA-N 2 2 320.408 2.650 20 10 DFCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000368436704 526347214 /nfs/dbraw/zinc/34/72/14/526347214.db2.gz ZKVKZUMTGMXGPK-JTQLQIEISA-N 2 2 309.772 2.733 20 10 DFCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000130364447 526362883 /nfs/dbraw/zinc/36/28/83/526362883.db2.gz QQPZEFWTUHFQSA-CYBMUJFWSA-N 2 2 324.852 2.636 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000285954011 131212824 /nfs/dbraw/zinc/21/28/24/131212824.db2.gz GIKYEEDEBYYLDE-CJNGLKHVSA-N 2 2 310.413 2.540 20 10 DFCDLP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(F)cc1O ZINC000286267504 131227273 /nfs/dbraw/zinc/22/72/73/131227273.db2.gz VFXPQHUNDHUGKW-MRXNPFEDSA-N 2 2 310.413 2.683 20 10 DFCDLP Cc1cc(O)c(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1C ZINC000151990426 426321160 /nfs/dbraw/zinc/32/11/60/426321160.db2.gz NCPPSGHDJMLXHR-INIZCTEOSA-N 2 2 318.461 2.694 20 10 DFCDLP Cc1cc(O)c(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1C ZINC000151990426 426321163 /nfs/dbraw/zinc/32/11/63/426321163.db2.gz NCPPSGHDJMLXHR-INIZCTEOSA-N 2 2 318.461 2.694 20 10 DFCDLP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017495 426352927 /nfs/dbraw/zinc/35/29/27/426352927.db2.gz BZVAXUDQUIWALC-CQSZACIVSA-N 2 2 324.852 2.590 20 10 DFCDLP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017495 426352930 /nfs/dbraw/zinc/35/29/30/426352930.db2.gz BZVAXUDQUIWALC-CQSZACIVSA-N 2 2 324.852 2.590 20 10 DFCDLP CN(C)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000122562628 426381193 /nfs/dbraw/zinc/38/11/93/426381193.db2.gz QRKOJUDEFUNIKB-UHFFFAOYSA-N 2 2 302.397 2.925 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+](C)CCCn2cc[nH+]c2)c1O ZINC000290512891 426782070 /nfs/dbraw/zinc/78/20/70/426782070.db2.gz PRHCRMYYIPGKJR-UHFFFAOYSA-N 2 2 309.797 2.773 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+](C)CCCn2cc[nH+]c2)c1O ZINC000290512891 426782076 /nfs/dbraw/zinc/78/20/76/426782076.db2.gz PRHCRMYYIPGKJR-UHFFFAOYSA-N 2 2 309.797 2.773 20 10 DFCDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295497224 426983794 /nfs/dbraw/zinc/98/37/94/426983794.db2.gz YBGJLGQBBUGNQT-NSHDSACASA-N 2 2 300.805 2.958 20 10 DFCDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295497224 426983798 /nfs/dbraw/zinc/98/37/98/426983798.db2.gz YBGJLGQBBUGNQT-NSHDSACASA-N 2 2 300.805 2.958 20 10 DFCDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295497224 426983803 /nfs/dbraw/zinc/98/38/03/426983803.db2.gz YBGJLGQBBUGNQT-NSHDSACASA-N 2 2 300.805 2.958 20 10 DFCDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295497224 426983807 /nfs/dbraw/zinc/98/38/07/426983807.db2.gz YBGJLGQBBUGNQT-NSHDSACASA-N 2 2 300.805 2.958 20 10 DFCDLP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(Br)ccc1O ZINC000184841887 427548329 /nfs/dbraw/zinc/54/83/29/427548329.db2.gz JSBYMRYGNQBPCK-JTQLQIEISA-N 2 2 301.228 2.757 20 10 DFCDLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc4c(c3)CCN4C)n2c1 ZINC000364444058 429204085 /nfs/dbraw/zinc/20/40/85/429204085.db2.gz MFWFKORQYKMFBC-UHFFFAOYSA-N 2 2 306.413 2.925 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)c1 ZINC000375843838 337021142 /nfs/dbraw/zinc/02/11/42/337021142.db2.gz BRXSAIXUWUCWTR-CHWSQXEVSA-N 2 2 301.390 2.826 20 10 DFCDLP C[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377862804 337062872 /nfs/dbraw/zinc/06/28/72/337062872.db2.gz ZEVJLYAPAIEUEM-LBPRGKRZSA-N 2 2 305.809 2.937 20 10 DFCDLP C[N@H+](Cc1c(O)cccc1Cl)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377862804 337062873 /nfs/dbraw/zinc/06/28/73/337062873.db2.gz ZEVJLYAPAIEUEM-LBPRGKRZSA-N 2 2 305.809 2.937 20 10 DFCDLP COc1ccc(O)c(C[NH2+]Cc2[nH+]c(C)n3c2CCCC3)c1 ZINC000378521358 337075124 /nfs/dbraw/zinc/07/51/24/337075124.db2.gz UXKGVIVMBRAOAK-UHFFFAOYSA-N 2 2 301.390 2.532 20 10 DFCDLP CC1([NH+]2CCOCC2)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000529661625 340766990 /nfs/dbraw/zinc/76/69/90/340766990.db2.gz AGDVLMUZMGFNOU-UHFFFAOYSA-N 2 2 324.852 2.732 20 10 DFCDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469364 185172875 /nfs/dbraw/zinc/17/28/75/185172875.db2.gz SPLLYGZKXWDWJF-AWEZNQCLSA-N 2 2 322.424 2.898 20 10 DFCDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469364 185172876 /nfs/dbraw/zinc/17/28/76/185172876.db2.gz SPLLYGZKXWDWJF-AWEZNQCLSA-N 2 2 322.424 2.898 20 10 DFCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073544 398556410 /nfs/dbraw/zinc/55/64/10/398556410.db2.gz MVVSAZPKGXYCGM-ZDUSSCGKSA-N 2 2 301.390 2.894 20 10 DFCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073544 398556413 /nfs/dbraw/zinc/55/64/13/398556413.db2.gz MVVSAZPKGXYCGM-ZDUSSCGKSA-N 2 2 301.390 2.894 20 10 DFCDLP CCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1O ZINC000092072341 398556952 /nfs/dbraw/zinc/55/69/52/398556952.db2.gz ITDIVEUVIIZTEN-CQSZACIVSA-N 2 2 301.390 2.894 20 10 DFCDLP CCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1O ZINC000092072341 398556958 /nfs/dbraw/zinc/55/69/58/398556958.db2.gz ITDIVEUVIIZTEN-CQSZACIVSA-N 2 2 301.390 2.894 20 10 DFCDLP CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)c1O ZINC000091892531 193122965 /nfs/dbraw/zinc/12/29/65/193122965.db2.gz XCTFSHBCYMQWOF-CVEARBPZSA-N 2 2 304.434 2.850 20 10 DFCDLP CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)c1O ZINC000091892531 193122966 /nfs/dbraw/zinc/12/29/66/193122966.db2.gz XCTFSHBCYMQWOF-CVEARBPZSA-N 2 2 304.434 2.850 20 10 DFCDLP CCOc1cccc(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)c1O ZINC000091892531 193122968 /nfs/dbraw/zinc/12/29/68/193122968.db2.gz XCTFSHBCYMQWOF-CVEARBPZSA-N 2 2 304.434 2.850 20 10 DFCDLP CCOc1cccc(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)c1O ZINC000091892531 193122970 /nfs/dbraw/zinc/12/29/70/193122970.db2.gz XCTFSHBCYMQWOF-CVEARBPZSA-N 2 2 304.434 2.850 20 10 DFCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[N@H+](C)C3CC3)CC2)cc1 ZINC000130957122 426163861 /nfs/dbraw/zinc/16/38/61/426163861.db2.gz NEBRVKASOGZAFS-HNNXBMFYSA-N 2 2 317.477 2.736 20 10 DFCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[N@@H+](C)C3CC3)CC2)cc1 ZINC000130957122 426163864 /nfs/dbraw/zinc/16/38/64/426163864.db2.gz NEBRVKASOGZAFS-HNNXBMFYSA-N 2 2 317.477 2.736 20 10 DFCDLP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000133027766 426171246 /nfs/dbraw/zinc/17/12/46/426171246.db2.gz JMHUZKXRAICESO-QGZVFWFLSA-N 2 2 317.477 2.738 20 10 DFCDLP CC[N@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000133027766 426171250 /nfs/dbraw/zinc/17/12/50/426171250.db2.gz JMHUZKXRAICESO-QGZVFWFLSA-N 2 2 317.477 2.738 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000175709335 426322638 /nfs/dbraw/zinc/32/26/38/426322638.db2.gz HYKKJCYRBTTYTF-AWEZNQCLSA-N 2 2 320.408 2.652 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000175709335 426322639 /nfs/dbraw/zinc/32/26/39/426322639.db2.gz HYKKJCYRBTTYTF-AWEZNQCLSA-N 2 2 320.408 2.652 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1O ZINC000281202102 426704318 /nfs/dbraw/zinc/70/43/18/426704318.db2.gz CODNIGAOQGQRRA-UHFFFAOYSA-N 2 2 308.397 2.652 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1O ZINC000281202102 426704322 /nfs/dbraw/zinc/70/43/22/426704322.db2.gz CODNIGAOQGQRRA-UHFFFAOYSA-N 2 2 308.397 2.652 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000292065972 427076949 /nfs/dbraw/zinc/07/69/49/427076949.db2.gz DCNOYOPVBOUOTL-KRWDZBQOSA-N 2 2 322.836 2.776 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC000292065972 427076956 /nfs/dbraw/zinc/07/69/56/427076956.db2.gz DCNOYOPVBOUOTL-KRWDZBQOSA-N 2 2 322.836 2.776 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000292065972 427076963 /nfs/dbraw/zinc/07/69/63/427076963.db2.gz DCNOYOPVBOUOTL-KRWDZBQOSA-N 2 2 322.836 2.776 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000292065972 427076968 /nfs/dbraw/zinc/07/69/68/427076968.db2.gz DCNOYOPVBOUOTL-KRWDZBQOSA-N 2 2 322.836 2.776 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000371869072 428406851 /nfs/dbraw/zinc/40/68/51/428406851.db2.gz DGLKVNPVSIBZSS-JJRVBVJISA-N 2 2 322.424 2.683 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccccc1O ZINC000372802378 428504413 /nfs/dbraw/zinc/50/44/13/428504413.db2.gz MBNCMLVBJVGCMM-ZOBUZTSGSA-N 2 2 304.434 2.686 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccccc1O ZINC000372802378 428504418 /nfs/dbraw/zinc/50/44/18/428504418.db2.gz MBNCMLVBJVGCMM-ZOBUZTSGSA-N 2 2 304.434 2.686 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373225544 428524737 /nfs/dbraw/zinc/52/47/37/428524737.db2.gz AOQDRUNPRINYAB-CYBMUJFWSA-N 2 2 301.390 2.514 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373225544 428524739 /nfs/dbraw/zinc/52/47/39/428524739.db2.gz AOQDRUNPRINYAB-CYBMUJFWSA-N 2 2 301.390 2.514 20 10 DFCDLP C[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccc(F)cc1O ZINC000363847799 428996168 /nfs/dbraw/zinc/99/61/68/428996168.db2.gz DZFJEYUXWWKTCT-GFCCVEGCSA-N 2 2 312.348 2.963 20 10 DFCDLP Oc1c(Br)cccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178710 430101173 /nfs/dbraw/zinc/10/11/73/430101173.db2.gz MQYFGAXBNLIIQM-GFCCVEGCSA-N 2 2 311.223 2.529 20 10 DFCDLP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287628466 288038067 /nfs/dbraw/zinc/03/80/67/288038067.db2.gz KDACBSMCHWIVAA-AWEZNQCLSA-N 2 2 312.841 2.543 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1 ZINC000371868798 336915242 /nfs/dbraw/zinc/91/52/42/336915242.db2.gz CCNGNPCDWIPUKO-XYJFISCASA-N 2 2 318.461 2.852 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000376895030 337043348 /nfs/dbraw/zinc/04/33/48/337043348.db2.gz UYVZZRLPMVKMKF-XHSDSOJGSA-N 2 2 304.434 2.605 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000376895030 337043349 /nfs/dbraw/zinc/04/33/49/337043349.db2.gz UYVZZRLPMVKMKF-XHSDSOJGSA-N 2 2 304.434 2.605 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000180719897 524745170 /nfs/dbraw/zinc/74/51/70/524745170.db2.gz SVTULUAIWURACR-CJNGLKHVSA-N 2 2 301.390 2.680 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000180719897 524745181 /nfs/dbraw/zinc/74/51/81/524745181.db2.gz SVTULUAIWURACR-CJNGLKHVSA-N 2 2 301.390 2.680 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000090917690 398496770 /nfs/dbraw/zinc/49/67/70/398496770.db2.gz RUYSEBYIKFAGEP-KFKAGJAMSA-N 2 2 317.477 2.657 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000090917690 398496773 /nfs/dbraw/zinc/49/67/73/398496773.db2.gz RUYSEBYIKFAGEP-KFKAGJAMSA-N 2 2 317.477 2.657 20 10 DFCDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000275713246 130369070 /nfs/dbraw/zinc/36/90/70/130369070.db2.gz YMYOUFHOPLNEOD-BZNIZROVSA-N 2 2 321.808 2.789 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000175716553 426322736 /nfs/dbraw/zinc/32/27/36/426322736.db2.gz UHALWUGUGCNDPW-NHYWBVRUSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000175716553 426322737 /nfs/dbraw/zinc/32/27/37/426322737.db2.gz UHALWUGUGCNDPW-NHYWBVRUSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1O ZINC000175716553 426322738 /nfs/dbraw/zinc/32/27/38/426322738.db2.gz UHALWUGUGCNDPW-NHYWBVRUSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1O ZINC000175716553 426322739 /nfs/dbraw/zinc/32/27/39/426322739.db2.gz UHALWUGUGCNDPW-NHYWBVRUSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000175716512 426322843 /nfs/dbraw/zinc/32/28/43/426322843.db2.gz UHALWUGUGCNDPW-XHDPSFHLSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000175716512 426322845 /nfs/dbraw/zinc/32/28/45/426322845.db2.gz UHALWUGUGCNDPW-XHDPSFHLSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1O ZINC000175716512 426322848 /nfs/dbraw/zinc/32/28/48/426322848.db2.gz UHALWUGUGCNDPW-XHDPSFHLSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1O ZINC000175716512 426322851 /nfs/dbraw/zinc/32/28/51/426322851.db2.gz UHALWUGUGCNDPW-XHDPSFHLSA-N 2 2 308.397 2.648 20 10 DFCDLP COc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C)CC2)c1O ZINC000093715919 426358729 /nfs/dbraw/zinc/35/87/29/426358729.db2.gz RCUOJSYRIZJCJL-CQSZACIVSA-N 2 2 304.434 2.850 20 10 DFCDLP COc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C)CC2)c1O ZINC000093715919 426358732 /nfs/dbraw/zinc/35/87/32/426358732.db2.gz RCUOJSYRIZJCJL-CQSZACIVSA-N 2 2 304.434 2.850 20 10 DFCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000153151834 426372215 /nfs/dbraw/zinc/37/22/15/426372215.db2.gz ITOGADOGXDXDJW-SJORKVTESA-N 2 2 319.493 2.762 20 10 DFCDLP CCOCc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OC ZINC000370730528 428286241 /nfs/dbraw/zinc/28/62/41/428286241.db2.gz OTMYNECBYPRFRA-OAHLLOKOSA-N 2 2 315.417 2.602 20 10 DFCDLP CCOCc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OC ZINC000370730528 428286245 /nfs/dbraw/zinc/28/62/45/428286245.db2.gz OTMYNECBYPRFRA-OAHLLOKOSA-N 2 2 315.417 2.602 20 10 DFCDLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297214004 335151799 /nfs/dbraw/zinc/15/17/99/335151799.db2.gz GUQNKVJHUVFHEN-PKOBYXMFSA-N 2 2 319.493 2.640 20 10 DFCDLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297214004 335151800 /nfs/dbraw/zinc/15/18/00/335151800.db2.gz GUQNKVJHUVFHEN-PKOBYXMFSA-N 2 2 319.493 2.640 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1O ZINC000376900385 337043439 /nfs/dbraw/zinc/04/34/39/337043439.db2.gz ZMLOYEZCNJRLGR-IOASZLSFSA-N 2 2 324.852 2.950 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1O ZINC000376900385 337043440 /nfs/dbraw/zinc/04/34/40/337043440.db2.gz ZMLOYEZCNJRLGR-IOASZLSFSA-N 2 2 324.852 2.950 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1O ZINC000376900387 337043458 /nfs/dbraw/zinc/04/34/58/337043458.db2.gz ZMLOYEZCNJRLGR-WWGRRREGSA-N 2 2 324.852 2.950 20 10 DFCDLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1O ZINC000376900387 337043459 /nfs/dbraw/zinc/04/34/59/337043459.db2.gz ZMLOYEZCNJRLGR-WWGRRREGSA-N 2 2 324.852 2.950 20 10 DFCDLP Cc1cc(O)c(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1C ZINC000529664593 340767081 /nfs/dbraw/zinc/76/70/81/340767081.db2.gz RZOMZWSBXWOJCG-UHFFFAOYSA-N 2 2 318.461 2.696 20 10 DFCDLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000181007329 525293879 /nfs/dbraw/zinc/29/38/79/525293879.db2.gz HOWCAYCERDNVMV-JTQLQIEISA-N 2 2 313.239 2.900 20 10 DFCDLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1O ZINC000287896190 535804572 /nfs/dbraw/zinc/80/45/72/535804572.db2.gz ZHUOGXWZSJGPKZ-IUODEOHRSA-N 2 2 312.841 2.543 20 10 DFCDLP C[C@H]1C[NH+](CCC[NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000113317008 426111771 /nfs/dbraw/zinc/11/17/71/426111771.db2.gz QUNXTYJOOCTBRJ-STQMWFEESA-N 2 2 312.841 2.635 20 10 DFCDLP CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000168305623 426134899 /nfs/dbraw/zinc/13/48/99/426134899.db2.gz FQTUTSVQQYQRCV-SFHVURJKSA-N 2 2 319.493 2.904 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000175716493 426322628 /nfs/dbraw/zinc/32/26/28/426322628.db2.gz UHALWUGUGCNDPW-IAQYHMDHSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000175716493 426322629 /nfs/dbraw/zinc/32/26/29/426322629.db2.gz UHALWUGUGCNDPW-IAQYHMDHSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000175716493 426322631 /nfs/dbraw/zinc/32/26/31/426322631.db2.gz UHALWUGUGCNDPW-IAQYHMDHSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000175716493 426322633 /nfs/dbraw/zinc/32/26/33/426322633.db2.gz UHALWUGUGCNDPW-IAQYHMDHSA-N 2 2 308.397 2.648 20 10 DFCDLP COc1ccc(N2CCC([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000151129452 426279115 /nfs/dbraw/zinc/27/91/15/426279115.db2.gz OOGCVSCNVBUUQS-UHFFFAOYSA-N 2 2 314.433 2.540 20 10 DFCDLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CCO1 ZINC000092079311 426347252 /nfs/dbraw/zinc/34/72/52/426347252.db2.gz MCAWIUVGGOVVEE-CYBMUJFWSA-N 2 2 324.852 2.731 20 10 DFCDLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CCO1 ZINC000092079311 426347254 /nfs/dbraw/zinc/34/72/54/426347254.db2.gz MCAWIUVGGOVVEE-CYBMUJFWSA-N 2 2 324.852 2.731 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000184680898 427517422 /nfs/dbraw/zinc/51/74/22/427517422.db2.gz MKSNMBZKPUYRSN-LBPRGKRZSA-N 2 2 312.841 2.828 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1O ZINC000184680898 427517426 /nfs/dbraw/zinc/51/74/26/427517426.db2.gz MKSNMBZKPUYRSN-LBPRGKRZSA-N 2 2 312.841 2.828 20 10 DFCDLP C[C@H]([NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1O ZINC000279029205 427533601 /nfs/dbraw/zinc/53/36/01/427533601.db2.gz VWNZOLCBPGIMLJ-BNLOLNQZSA-N 2 2 319.380 2.836 20 10 DFCDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000184914583 427564181 /nfs/dbraw/zinc/56/41/81/427564181.db2.gz XLOCIGAAGLWLGC-OWCLPIDISA-N 2 2 306.450 2.851 20 10 DFCDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000184914583 427564189 /nfs/dbraw/zinc/56/41/89/427564189.db2.gz XLOCIGAAGLWLGC-OWCLPIDISA-N 2 2 306.450 2.851 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914400 427564835 /nfs/dbraw/zinc/56/48/35/427564835.db2.gz BLWTZZVZQOOJAE-ZNMIVQPWSA-N 2 2 322.449 2.551 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914400 427564838 /nfs/dbraw/zinc/56/48/38/427564838.db2.gz BLWTZZVZQOOJAE-ZNMIVQPWSA-N 2 2 322.449 2.551 20 10 DFCDLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000184914810 427565606 /nfs/dbraw/zinc/56/56/06/427565606.db2.gz YNOCBCYZKBODHU-IHRRRGAJSA-N 2 2 310.413 2.681 20 10 DFCDLP C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)C[NH+]1CCOCC1 ZINC000185504644 427664353 /nfs/dbraw/zinc/66/43/53/427664353.db2.gz VPXWTQNHRUAITK-STQMWFEESA-N 2 2 312.841 2.665 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000362310495 428697886 /nfs/dbraw/zinc/69/78/86/428697886.db2.gz RUYSEBYIKFAGEP-SNRMKQJTSA-N 2 2 317.477 2.657 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000362310495 428697890 /nfs/dbraw/zinc/69/78/90/428697890.db2.gz RUYSEBYIKFAGEP-SNRMKQJTSA-N 2 2 317.477 2.657 20 10 DFCDLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000285954017 276532394 /nfs/dbraw/zinc/53/23/94/276532394.db2.gz GIKYEEDEBYYLDE-CZUORRHYSA-N 2 2 310.413 2.540 20 10 DFCDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000368717030 429889851 /nfs/dbraw/zinc/88/98/51/429889851.db2.gz WXAIYZRPPSULCV-CYBMUJFWSA-N 2 2 303.381 2.720 20 10 DFCDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000368717030 429889852 /nfs/dbraw/zinc/88/98/52/429889852.db2.gz WXAIYZRPPSULCV-CYBMUJFWSA-N 2 2 303.381 2.720 20 10 DFCDLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)[C@@H]1c1cccnc1 ZINC000377256541 337049588 /nfs/dbraw/zinc/04/95/88/337049588.db2.gz LHMQVWLESMECSO-KSSFIOAISA-N 2 2 315.392 2.709 20 10 DFCDLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)[C@@H]1c1cccnc1 ZINC000377256541 337049589 /nfs/dbraw/zinc/04/95/89/337049589.db2.gz LHMQVWLESMECSO-KSSFIOAISA-N 2 2 315.392 2.709 20 10 DFCDLP Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178581 340781722 /nfs/dbraw/zinc/78/17/22/340781722.db2.gz OPXRSUIIDHAVAS-CYBMUJFWSA-N 2 2 311.223 2.529 20 10 DFCDLP CCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O ZINC000180125867 521341333 /nfs/dbraw/zinc/34/13/33/521341333.db2.gz MENGTYUTAYCRFY-INIZCTEOSA-N 2 2 315.417 2.960 20 10 DFCDLP CCOc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O ZINC000180125867 521341340 /nfs/dbraw/zinc/34/13/40/521341340.db2.gz MENGTYUTAYCRFY-INIZCTEOSA-N 2 2 315.417 2.960 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180614871 524742869 /nfs/dbraw/zinc/74/28/69/524742869.db2.gz ZYRJLFONWBQFIR-HNNXBMFYSA-N 2 2 301.390 2.570 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180614871 524742878 /nfs/dbraw/zinc/74/28/78/524742878.db2.gz ZYRJLFONWBQFIR-HNNXBMFYSA-N 2 2 301.390 2.570 20 10 DFCDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469478 185172960 /nfs/dbraw/zinc/17/29/60/185172960.db2.gz ALDZOPBZALNCKE-CQSZACIVSA-N 2 2 322.424 2.898 20 10 DFCDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469478 185172961 /nfs/dbraw/zinc/17/29/61/185172961.db2.gz ALDZOPBZALNCKE-CQSZACIVSA-N 2 2 322.424 2.898 20 10 DFCDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469478 185172962 /nfs/dbraw/zinc/17/29/62/185172962.db2.gz ALDZOPBZALNCKE-CQSZACIVSA-N 2 2 322.424 2.898 20 10 DFCDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469478 185172963 /nfs/dbraw/zinc/17/29/63/185172963.db2.gz ALDZOPBZALNCKE-CQSZACIVSA-N 2 2 322.424 2.898 20 10 DFCDLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(C)cc1O ZINC000280075769 426502537 /nfs/dbraw/zinc/50/25/37/426502537.db2.gz LKJGTTLTCUJDAU-DOTOQJQBSA-N 2 2 306.450 2.710 20 10 DFCDLP COc1cccc(C[NH2+]C[C@H](c2ccccc2)[NH+](C)C)c1O ZINC000237207809 426690209 /nfs/dbraw/zinc/69/02/09/426690209.db2.gz HAWWPUHFZBLWIS-MRXNPFEDSA-N 2 2 300.402 2.793 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000252733869 427192836 /nfs/dbraw/zinc/19/28/36/427192836.db2.gz SVTULUAIWURACR-XJKSGUPXSA-N 2 2 301.390 2.680 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000252733869 427192843 /nfs/dbraw/zinc/19/28/43/427192843.db2.gz SVTULUAIWURACR-XJKSGUPXSA-N 2 2 301.390 2.680 20 10 DFCDLP C[C@H]([NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1cc(F)ccc1O ZINC000278938134 427507096 /nfs/dbraw/zinc/50/70/96/427507096.db2.gz JZAPTYOYSYIMST-PPHDSNJXSA-N 2 2 319.380 2.836 20 10 DFCDLP CN(C)c1ccc(C[NH2+]CCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000279792129 427718060 /nfs/dbraw/zinc/71/80/60/427718060.db2.gz CWYVWMDWHXVUJQ-UHFFFAOYSA-N 2 2 312.339 2.758 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372801734 428503733 /nfs/dbraw/zinc/50/37/33/428503733.db2.gz MBNCMLVBJVGCMM-INMHGKMJSA-N 2 2 304.434 2.686 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372801734 428503738 /nfs/dbraw/zinc/50/37/38/428503738.db2.gz MBNCMLVBJVGCMM-INMHGKMJSA-N 2 2 304.434 2.686 20 10 DFCDLP C[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1cc(F)ccc1O ZINC000363857517 429001183 /nfs/dbraw/zinc/00/11/83/429001183.db2.gz QDYIGTQMOGTJMV-LBPRGKRZSA-N 2 2 312.348 2.963 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccccc1O ZINC000368408313 429844325 /nfs/dbraw/zinc/84/43/25/429844325.db2.gz WPGMKYFVPSZWHP-RYQLBKOJSA-N 2 2 318.461 2.934 20 10 DFCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000363778722 332246171 /nfs/dbraw/zinc/24/61/71/332246171.db2.gz CAKWJYIGYZOOJP-ZYSHUDEJSA-N 2 2 317.477 2.657 20 10 DFCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000363778722 332246173 /nfs/dbraw/zinc/24/61/73/332246173.db2.gz CAKWJYIGYZOOJP-ZYSHUDEJSA-N 2 2 317.477 2.657 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1O ZINC000293675169 335114887 /nfs/dbraw/zinc/11/48/87/335114887.db2.gz PDUNNPJMHIYXIR-QGZVFWFLSA-N 2 2 324.852 2.972 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1O ZINC000293675169 335114888 /nfs/dbraw/zinc/11/48/88/335114888.db2.gz PDUNNPJMHIYXIR-QGZVFWFLSA-N 2 2 324.852 2.972 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293675169 335114889 /nfs/dbraw/zinc/11/48/89/335114889.db2.gz PDUNNPJMHIYXIR-QGZVFWFLSA-N 2 2 324.852 2.972 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293675169 335114890 /nfs/dbraw/zinc/11/48/90/335114890.db2.gz PDUNNPJMHIYXIR-QGZVFWFLSA-N 2 2 324.852 2.972 20 10 DFCDLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297214001 335151538 /nfs/dbraw/zinc/15/15/38/335151538.db2.gz GUQNKVJHUVFHEN-MJGOQNOKSA-N 2 2 319.493 2.640 20 10 DFCDLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297214001 335151539 /nfs/dbraw/zinc/15/15/39/335151539.db2.gz GUQNKVJHUVFHEN-MJGOQNOKSA-N 2 2 319.493 2.640 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c(O)c1C ZINC000375242462 337006512 /nfs/dbraw/zinc/00/65/12/337006512.db2.gz OJOFTUMWFRVWDM-GVDBMIGSSA-N 2 2 318.461 2.913 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)c1 ZINC000375843841 337021125 /nfs/dbraw/zinc/02/11/25/337021125.db2.gz BRXSAIXUWUCWTR-QWHCGFSZSA-N 2 2 301.390 2.826 20 10 DFCDLP CCOc1ccc(O)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376759324 337040532 /nfs/dbraw/zinc/04/05/32/337040532.db2.gz UIHOUOGLLCBPRZ-UHFFFAOYSA-N 2 2 301.390 2.614 20 10 DFCDLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1O ZINC000184989390 337202202 /nfs/dbraw/zinc/20/22/02/337202202.db2.gz KPIKGXAWMLNUED-GFCCVEGCSA-N 2 2 312.348 2.963 20 10 DFCDLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1O ZINC000184989370 337202219 /nfs/dbraw/zinc/20/22/19/337202219.db2.gz KPIKGXAWMLNUED-LBPRGKRZSA-N 2 2 312.348 2.963 20 10 DFCDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)ccc1O ZINC000227437342 337205196 /nfs/dbraw/zinc/20/51/96/337205196.db2.gz JGOJTMJBMNGPRS-SNVBAGLBSA-N 2 2 310.195 2.530 20 10 DFCDLP COc1ccc(O)c(C[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000237204645 340668921 /nfs/dbraw/zinc/66/89/21/340668921.db2.gz XUYBBQOGGMPTOR-KRWDZBQOSA-N 2 2 300.402 2.793 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000180719917 524747979 /nfs/dbraw/zinc/74/79/79/524747979.db2.gz SVTULUAIWURACR-BBRMVZONSA-N 2 2 301.390 2.680 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000180719917 524747987 /nfs/dbraw/zinc/74/79/87/524747987.db2.gz SVTULUAIWURACR-BBRMVZONSA-N 2 2 301.390 2.680 20 10 DFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000273354530 130111584 /nfs/dbraw/zinc/11/15/84/130111584.db2.gz CLCASNYOFHVYBY-CYBMUJFWSA-N 2 2 314.385 2.776 20 10 DFCDLP COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1C ZINC000275530611 130330323 /nfs/dbraw/zinc/33/03/23/130330323.db2.gz LWPKQHOJVYOKBB-MAUKXSAKSA-N 2 2 315.417 2.747 20 10 DFCDLP COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1C ZINC000275530616 130330851 /nfs/dbraw/zinc/33/08/51/130330851.db2.gz LWPKQHOJVYOKBB-QAPCUYQASA-N 2 2 315.417 2.747 20 10 DFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000273412819 292014167 /nfs/dbraw/zinc/01/41/67/292014167.db2.gz QDKFEJUBVBGEAW-AWEZNQCLSA-N 2 2 320.433 2.705 20 10 DFCDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000122917804 426403132 /nfs/dbraw/zinc/40/31/32/426403132.db2.gz WIIJNVLHPBKPTJ-HNNXBMFYSA-N 2 2 315.417 2.997 20 10 DFCDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000122917804 426403136 /nfs/dbraw/zinc/40/31/36/426403136.db2.gz WIIJNVLHPBKPTJ-HNNXBMFYSA-N 2 2 315.417 2.997 20 10 DFCDLP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185014495 427577291 /nfs/dbraw/zinc/57/72/91/427577291.db2.gz BPSVCDFFYVYZTJ-OAHLLOKOSA-N 2 2 323.456 2.600 20 10 DFCDLP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185014495 427577295 /nfs/dbraw/zinc/57/72/95/427577295.db2.gz BPSVCDFFYVYZTJ-OAHLLOKOSA-N 2 2 323.456 2.600 20 10 DFCDLP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)C[NH+]1CCOCC1 ZINC000185504666 427664469 /nfs/dbraw/zinc/66/44/69/427664469.db2.gz VPXWTQNHRUAITK-OLZOCXBDSA-N 2 2 312.841 2.665 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000372969826 428508813 /nfs/dbraw/zinc/50/88/13/428508813.db2.gz OPAOPRBXRWZCMO-CQSZACIVSA-N 2 2 312.841 2.970 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000372969826 428508820 /nfs/dbraw/zinc/50/88/20/428508820.db2.gz OPAOPRBXRWZCMO-CQSZACIVSA-N 2 2 312.841 2.970 20 10 DFCDLP CN(C)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000367414872 429644402 /nfs/dbraw/zinc/64/44/02/429644402.db2.gz IBCPWIXWEDNQJF-UHFFFAOYSA-N 2 2 302.397 2.714 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000368314862 336842304 /nfs/dbraw/zinc/84/23/04/336842304.db2.gz GGASTCRUIOKWKH-QWHCGFSZSA-N 2 2 301.390 2.571 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000371868794 336915204 /nfs/dbraw/zinc/91/52/04/336915204.db2.gz CCNGNPCDWIPUKO-BQFCYCMXSA-N 2 2 318.461 2.852 20 10 DFCDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)C2 ZINC000375580617 337013898 /nfs/dbraw/zinc/01/38/98/337013898.db2.gz ZLJQSZVBPOGHHU-QWRGUYRKSA-N 2 2 307.344 2.841 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c(O)c1 ZINC000376894159 337043373 /nfs/dbraw/zinc/04/33/73/337043373.db2.gz RORXJHWZLGRMGA-JYJNAYRXSA-N 2 2 304.434 2.605 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCCC[C@H]3CO2)c(O)c1 ZINC000376894159 337043374 /nfs/dbraw/zinc/04/33/74/337043374.db2.gz RORXJHWZLGRMGA-JYJNAYRXSA-N 2 2 304.434 2.605 20 10 DFCDLP COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377890308 337063516 /nfs/dbraw/zinc/06/35/16/337063516.db2.gz UHOAJCVYECQBEK-STQMWFEESA-N 2 2 301.390 2.685 20 10 DFCDLP COc1ccc(O)c([C@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377890308 337063517 /nfs/dbraw/zinc/06/35/17/337063517.db2.gz UHOAJCVYECQBEK-STQMWFEESA-N 2 2 301.390 2.685 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000184989439 337202288 /nfs/dbraw/zinc/20/22/88/337202288.db2.gz BXXFWPMXQQWRLU-CYBMUJFWSA-N 2 2 324.384 2.832 20 10 DFCDLP COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O ZINC000180129402 525942659 /nfs/dbraw/zinc/94/26/59/525942659.db2.gz LFWJMFDFTUPRCM-HNNXBMFYSA-N 2 2 301.390 2.570 20 10 DFCDLP COc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O ZINC000180129402 525942664 /nfs/dbraw/zinc/94/26/64/525942664.db2.gz LFWJMFDFTUPRCM-HNNXBMFYSA-N 2 2 301.390 2.570 20 10 DFCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1O ZINC000273481190 130126224 /nfs/dbraw/zinc/12/62/24/130126224.db2.gz MBAQNQVLMZUHPH-VUCTXSBTSA-N 2 2 322.424 2.560 20 10 DFCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c(O)c1C ZINC000273604712 130143878 /nfs/dbraw/zinc/14/38/78/130143878.db2.gz SWCXHZDQBSYWJJ-CZUORRHYSA-N 2 2 306.450 2.628 20 10 DFCDLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187752946 286443096 /nfs/dbraw/zinc/44/30/96/286443096.db2.gz FDSNQXQIOBEWHM-VXGBXAGGSA-N 2 2 316.392 2.678 20 10 DFCDLP Cc1cc(O)c(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1C ZINC000151990361 426321036 /nfs/dbraw/zinc/32/10/36/426321036.db2.gz NCPPSGHDJMLXHR-MRXNPFEDSA-N 2 2 318.461 2.694 20 10 DFCDLP Cc1cc(O)c(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1C ZINC000151990361 426321038 /nfs/dbraw/zinc/32/10/38/426321038.db2.gz NCPPSGHDJMLXHR-MRXNPFEDSA-N 2 2 318.461 2.694 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000175678868 426321884 /nfs/dbraw/zinc/32/18/84/426321884.db2.gz PMZKAAWUXOXYLG-CYBMUJFWSA-N 2 2 308.397 2.508 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1O ZINC000175678868 426321887 /nfs/dbraw/zinc/32/18/87/426321887.db2.gz PMZKAAWUXOXYLG-CYBMUJFWSA-N 2 2 308.397 2.508 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000175678868 426321890 /nfs/dbraw/zinc/32/18/90/426321890.db2.gz PMZKAAWUXOXYLG-CYBMUJFWSA-N 2 2 308.397 2.508 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1O ZINC000175678868 426321893 /nfs/dbraw/zinc/32/18/93/426321893.db2.gz PMZKAAWUXOXYLG-CYBMUJFWSA-N 2 2 308.397 2.508 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000175709313 426322807 /nfs/dbraw/zinc/32/28/07/426322807.db2.gz HYKKJCYRBTTYTF-CQSZACIVSA-N 2 2 320.408 2.652 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000175709313 426322809 /nfs/dbraw/zinc/32/28/09/426322809.db2.gz HYKKJCYRBTTYTF-CQSZACIVSA-N 2 2 320.408 2.652 20 10 DFCDLP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017496 426353084 /nfs/dbraw/zinc/35/30/84/426353084.db2.gz BZVAXUDQUIWALC-AWEZNQCLSA-N 2 2 324.852 2.590 20 10 DFCDLP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017496 426353086 /nfs/dbraw/zinc/35/30/86/426353086.db2.gz BZVAXUDQUIWALC-AWEZNQCLSA-N 2 2 324.852 2.590 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000273699568 426710483 /nfs/dbraw/zinc/71/04/83/426710483.db2.gz CZKHZHSHBMJERQ-FZMZJTMJSA-N 2 2 310.825 2.580 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000273699568 426710484 /nfs/dbraw/zinc/71/04/84/426710484.db2.gz CZKHZHSHBMJERQ-FZMZJTMJSA-N 2 2 310.825 2.580 20 10 DFCDLP C[C@H]([NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1cc(F)ccc1O ZINC000278938127 427508717 /nfs/dbraw/zinc/50/87/17/427508717.db2.gz JZAPTYOYSYIMST-BNLOLNQZSA-N 2 2 319.380 2.836 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccccc1O ZINC000372801737 428504361 /nfs/dbraw/zinc/50/43/61/428504361.db2.gz MBNCMLVBJVGCMM-UXLLHSPISA-N 2 2 304.434 2.686 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccccc1O ZINC000372801737 428504369 /nfs/dbraw/zinc/50/43/69/428504369.db2.gz MBNCMLVBJVGCMM-UXLLHSPISA-N 2 2 304.434 2.686 20 10 DFCDLP COc1cc(Cl)cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1O ZINC000367438729 429647919 /nfs/dbraw/zinc/64/79/19/429647919.db2.gz OVYWCAIXMCQGNA-UHFFFAOYSA-N 2 2 321.808 2.877 20 10 DFCDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)C2 ZINC000375580615 337013815 /nfs/dbraw/zinc/01/38/15/337013815.db2.gz ZLJQSZVBPOGHHU-GHMZBOCLSA-N 2 2 307.344 2.841 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000377882095 337063181 /nfs/dbraw/zinc/06/31/81/337063181.db2.gz CPLCGAQGYAACPN-LLVKDONJSA-N 2 2 321.808 2.777 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000377882095 337063182 /nfs/dbraw/zinc/06/31/82/337063182.db2.gz CPLCGAQGYAACPN-LLVKDONJSA-N 2 2 321.808 2.777 20 10 DFCDLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000181007348 525401419 /nfs/dbraw/zinc/40/14/19/525401419.db2.gz HOWCAYCERDNVMV-SNVBAGLBSA-N 2 2 313.239 2.900 20 10 DFCDLP Oc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCO1 ZINC000182897927 526372796 /nfs/dbraw/zinc/37/27/96/526372796.db2.gz DKGWOIAMWMHCCH-KRWDZBQOSA-N 2 2 315.417 2.660 20 10 DFCDLP Oc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCO1 ZINC000182897927 526372800 /nfs/dbraw/zinc/37/28/00/526372800.db2.gz DKGWOIAMWMHCCH-KRWDZBQOSA-N 2 2 315.417 2.660 20 10 DFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000129909737 426140949 /nfs/dbraw/zinc/14/09/49/426140949.db2.gz AMQUTGMLBHLQDZ-MRXNPFEDSA-N 2 2 305.441 2.809 20 10 DFCDLP CN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000129909737 426140952 /nfs/dbraw/zinc/14/09/52/426140952.db2.gz AMQUTGMLBHLQDZ-MRXNPFEDSA-N 2 2 305.441 2.809 20 10 DFCDLP Oc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000227434109 426625408 /nfs/dbraw/zinc/62/54/08/426625408.db2.gz MTDFGWTUEINQRP-UHFFFAOYSA-N 2 2 310.195 2.531 20 10 DFCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000268970305 427140771 /nfs/dbraw/zinc/14/07/71/427140771.db2.gz MSUDOJCOYRNJLM-RDJZCZTQSA-N 2 2 324.852 2.513 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000252733868 427193501 /nfs/dbraw/zinc/19/35/01/427193501.db2.gz SVTULUAIWURACR-CZUORRHYSA-N 2 2 301.390 2.680 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000252733868 427193506 /nfs/dbraw/zinc/19/35/06/427193506.db2.gz SVTULUAIWURACR-CZUORRHYSA-N 2 2 301.390 2.680 20 10 DFCDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184700326 427521748 /nfs/dbraw/zinc/52/17/48/427521748.db2.gz HFHQYEVXDRNEGP-LBPRGKRZSA-N 2 2 312.841 2.828 20 10 DFCDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184700326 427521754 /nfs/dbraw/zinc/52/17/54/427521754.db2.gz HFHQYEVXDRNEGP-LBPRGKRZSA-N 2 2 312.841 2.828 20 10 DFCDLP C[C@H]([NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1O ZINC000279029209 427533562 /nfs/dbraw/zinc/53/35/62/427533562.db2.gz VWNZOLCBPGIMLJ-PLQHRBFRSA-N 2 2 319.380 2.836 20 10 DFCDLP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1O ZINC000279029216 427535489 /nfs/dbraw/zinc/53/54/89/427535489.db2.gz VWNZOLCBPGIMLJ-XTQGRXLLSA-N 2 2 319.380 2.836 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000184914599 427562685 /nfs/dbraw/zinc/56/26/85/427562685.db2.gz XLOCIGAAGLWLGC-XHSDSOJGSA-N 2 2 306.450 2.851 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000184914599 427562691 /nfs/dbraw/zinc/56/26/91/427562691.db2.gz XLOCIGAAGLWLGC-XHSDSOJGSA-N 2 2 306.450 2.851 20 10 DFCDLP COCC[N@H+](C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263798861 427575728 /nfs/dbraw/zinc/57/57/28/427575728.db2.gz PNNJQZOPMOZMAG-UHFFFAOYSA-N 2 2 314.429 2.727 20 10 DFCDLP COCC[N@@H+](C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263798861 427575737 /nfs/dbraw/zinc/57/57/37/427575737.db2.gz PNNJQZOPMOZMAG-UHFFFAOYSA-N 2 2 314.429 2.727 20 10 DFCDLP COc1cc(O)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000271717403 427586149 /nfs/dbraw/zinc/58/61/49/427586149.db2.gz IYMFFHDQHSGLQU-LBPRGKRZSA-N 2 2 317.389 2.512 20 10 DFCDLP COc1cc(O)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000271717403 427586154 /nfs/dbraw/zinc/58/61/54/427586154.db2.gz IYMFFHDQHSGLQU-LBPRGKRZSA-N 2 2 317.389 2.512 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373225545 428524456 /nfs/dbraw/zinc/52/44/56/428524456.db2.gz AOQDRUNPRINYAB-ZDUSSCGKSA-N 2 2 301.390 2.514 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373225545 428524461 /nfs/dbraw/zinc/52/44/61/428524461.db2.gz AOQDRUNPRINYAB-ZDUSSCGKSA-N 2 2 301.390 2.514 20 10 DFCDLP CCOc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000367699281 429703636 /nfs/dbraw/zinc/70/36/36/429703636.db2.gz HLYSVYUPVNCCFA-CQSZACIVSA-N 2 2 301.390 2.514 20 10 DFCDLP CCOc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000367699281 429703639 /nfs/dbraw/zinc/70/36/39/429703639.db2.gz HLYSVYUPVNCCFA-CQSZACIVSA-N 2 2 301.390 2.514 20 10 DFCDLP CC[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297213992 335151400 /nfs/dbraw/zinc/15/14/00/335151400.db2.gz GUQNKVJHUVFHEN-HKUYNNGSSA-N 2 2 319.493 2.640 20 10 DFCDLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297213992 335151401 /nfs/dbraw/zinc/15/14/01/335151401.db2.gz GUQNKVJHUVFHEN-HKUYNNGSSA-N 2 2 319.493 2.640 20 10 DFCDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)ccc1O ZINC000227441940 337205161 /nfs/dbraw/zinc/20/51/61/337205161.db2.gz DXKOQTQJGMNJMQ-SNVBAGLBSA-N 2 2 301.228 2.585 20 10 DFCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180131355 521143659 /nfs/dbraw/zinc/14/36/59/521143659.db2.gz FHPSZBZYXWSSPA-MRXNPFEDSA-N 2 2 315.417 2.960 20 10 DFCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180131355 521143664 /nfs/dbraw/zinc/14/36/64/521143664.db2.gz FHPSZBZYXWSSPA-MRXNPFEDSA-N 2 2 315.417 2.960 20 10 DFCDLP Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000180042623 526350166 /nfs/dbraw/zinc/35/01/66/526350166.db2.gz PQISNTKYPXYPED-ZDUSSCGKSA-N 2 2 301.365 2.860 20 10 DFCDLP Oc1ccc(F)cc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000180042623 526350171 /nfs/dbraw/zinc/35/01/71/526350171.db2.gz PQISNTKYPXYPED-ZDUSSCGKSA-N 2 2 301.365 2.860 20 10 DFCDLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185314393 292350739 /nfs/dbraw/zinc/35/07/39/292350739.db2.gz RXYNNMFGVGLCHW-CYBMUJFWSA-N 2 2 310.413 2.683 20 10 DFCDLP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000069796955 425957355 /nfs/dbraw/zinc/95/73/55/425957355.db2.gz MZPYJQLDLYIYST-KRWDZBQOSA-N 2 2 318.461 2.553 20 10 DFCDLP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000069796955 425957358 /nfs/dbraw/zinc/95/73/58/425957358.db2.gz MZPYJQLDLYIYST-KRWDZBQOSA-N 2 2 318.461 2.553 20 10 DFCDLP CC[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000154978947 426460914 /nfs/dbraw/zinc/46/09/14/426460914.db2.gz YVRDRBZMQNLXLQ-BFYDXBDKSA-N 2 2 306.450 2.932 20 10 DFCDLP C[N@@H+](Cc1cc(Cl)c(F)cc1O)CC1CC[NH+](C)CC1 ZINC000295243653 426876335 /nfs/dbraw/zinc/87/63/35/426876335.db2.gz FDNVJDAPXVDOBH-UHFFFAOYSA-N 2 2 300.805 2.958 20 10 DFCDLP C[N@H+](Cc1cc(Cl)c(F)cc1O)CC1CC[NH+](C)CC1 ZINC000295243653 426876340 /nfs/dbraw/zinc/87/63/40/426876340.db2.gz FDNVJDAPXVDOBH-UHFFFAOYSA-N 2 2 300.805 2.958 20 10 DFCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1O ZINC000278791107 427452831 /nfs/dbraw/zinc/45/28/31/427452831.db2.gz YRUJTAZFIJBNES-ZIAGYGMSSA-N 2 2 310.413 2.683 20 10 DFCDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1O ZINC000278791107 427452836 /nfs/dbraw/zinc/45/28/36/427452836.db2.gz YRUJTAZFIJBNES-ZIAGYGMSSA-N 2 2 310.413 2.683 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000184969608 427571497 /nfs/dbraw/zinc/57/14/97/427571497.db2.gz IBZZENRFRZQINH-CYBMUJFWSA-N 2 2 311.385 2.942 20 10 DFCDLP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287628470 427658001 /nfs/dbraw/zinc/65/80/01/427658001.db2.gz KDACBSMCHWIVAA-CQSZACIVSA-N 2 2 312.841 2.543 20 10 DFCDLP COc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000373227956 428523025 /nfs/dbraw/zinc/52/30/25/428523025.db2.gz LCKSARIYZUQHSN-CQSZACIVSA-N 2 2 301.390 2.514 20 10 DFCDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000367702076 429702516 /nfs/dbraw/zinc/70/25/16/429702516.db2.gz LXQVCOCTYWFRIH-JTQLQIEISA-N 2 2 309.772 2.908 20 10 DFCDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000367702076 429702521 /nfs/dbraw/zinc/70/25/21/429702521.db2.gz LXQVCOCTYWFRIH-JTQLQIEISA-N 2 2 309.772 2.908 20 10 DFCDLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(F)ccc1O ZINC000368477938 429855233 /nfs/dbraw/zinc/85/52/33/429855233.db2.gz LWCCMBTZQBFDCU-LBPRGKRZSA-N 2 2 303.381 2.957 20 10 DFCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000363778716 332246220 /nfs/dbraw/zinc/24/62/20/332246220.db2.gz CAKWJYIGYZOOJP-IPELMVKDSA-N 2 2 317.477 2.657 20 10 DFCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000363778716 332246221 /nfs/dbraw/zinc/24/62/21/332246221.db2.gz CAKWJYIGYZOOJP-IPELMVKDSA-N 2 2 317.477 2.657 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000368314859 336842290 /nfs/dbraw/zinc/84/22/90/336842290.db2.gz GGASTCRUIOKWKH-CHWSQXEVSA-N 2 2 301.390 2.571 20 10 DFCDLP CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000375256042 337006591 /nfs/dbraw/zinc/00/65/91/337006591.db2.gz LTIUBNXRYUIOPN-SJLPKXTDSA-N 2 2 318.461 2.888 20 10 DFCDLP CC[C@H](c1ccccc1O)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000375256042 337006592 /nfs/dbraw/zinc/00/65/92/337006592.db2.gz LTIUBNXRYUIOPN-SJLPKXTDSA-N 2 2 318.461 2.888 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000375271481 337006974 /nfs/dbraw/zinc/00/69/74/337006974.db2.gz ZPDYHWPTHMQPOA-LBPRGKRZSA-N 2 2 301.390 2.784 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000376895029 337043294 /nfs/dbraw/zinc/04/32/94/337043294.db2.gz UYVZZRLPMVKMKF-JYJNAYRXSA-N 2 2 304.434 2.605 20 10 DFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000376895029 337043295 /nfs/dbraw/zinc/04/32/95/337043295.db2.gz UYVZZRLPMVKMKF-JYJNAYRXSA-N 2 2 304.434 2.605 20 10 DFCDLP COc1cc(O)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1OC ZINC000378439747 337072724 /nfs/dbraw/zinc/07/27/24/337072724.db2.gz UMOVMBPWPRVFEZ-UHFFFAOYSA-N 2 2 317.389 2.512 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCn2cc[nH+]c2)c1O ZINC000181086198 518280071 /nfs/dbraw/zinc/28/00/71/518280071.db2.gz NZJXJUSSVJUPEQ-UHFFFAOYSA-N 2 2 321.808 2.967 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCn2cc[nH+]c2)c1O ZINC000181086198 518280073 /nfs/dbraw/zinc/28/00/73/518280073.db2.gz NZJXJUSSVJUPEQ-UHFFFAOYSA-N 2 2 321.808 2.967 20 10 DFCDLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1O ZINC000287896199 535910025 /nfs/dbraw/zinc/91/00/25/535910025.db2.gz ZHUOGXWZSJGPKZ-WFASDCNBSA-N 2 2 312.841 2.543 20 10 DFCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073546 398556578 /nfs/dbraw/zinc/55/65/78/398556578.db2.gz MVVSAZPKGXYCGM-CYBMUJFWSA-N 2 2 301.390 2.894 20 10 DFCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073546 398556582 /nfs/dbraw/zinc/55/65/82/398556582.db2.gz MVVSAZPKGXYCGM-CYBMUJFWSA-N 2 2 301.390 2.894 20 10 DFCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000272373225 130024676 /nfs/dbraw/zinc/02/46/76/130024676.db2.gz GXOQCVVMBLJWAW-CXAGYDPISA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000272373225 130024678 /nfs/dbraw/zinc/02/46/78/130024678.db2.gz GXOQCVVMBLJWAW-CXAGYDPISA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000272373225 130024680 /nfs/dbraw/zinc/02/46/80/130024680.db2.gz GXOQCVVMBLJWAW-CXAGYDPISA-N 2 2 304.409 2.980 20 10 DFCDLP Oc1c(F)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000272373225 130024683 /nfs/dbraw/zinc/02/46/83/130024683.db2.gz GXOQCVVMBLJWAW-CXAGYDPISA-N 2 2 304.409 2.980 20 10 DFCDLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185314373 292350143 /nfs/dbraw/zinc/35/01/43/292350143.db2.gz RXYNNMFGVGLCHW-ZDUSSCGKSA-N 2 2 310.413 2.683 20 10 DFCDLP COc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1O ZINC000093715920 426358579 /nfs/dbraw/zinc/35/85/79/426358579.db2.gz RCUOJSYRIZJCJL-AWEZNQCLSA-N 2 2 304.434 2.850 20 10 DFCDLP COc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C)CC2)c1O ZINC000093715920 426358581 /nfs/dbraw/zinc/35/85/81/426358581.db2.gz RCUOJSYRIZJCJL-AWEZNQCLSA-N 2 2 304.434 2.850 20 10 DFCDLP CC[NH+]1CCN(c2ccc(CNc3cccc[nH+]3)cc2F)CC1 ZINC000264374738 426544162 /nfs/dbraw/zinc/54/41/62/426544162.db2.gz GYBAQHVXMJGDBX-UHFFFAOYSA-N 2 2 314.408 2.975 20 10 DFCDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(Br)ccc1O ZINC000184868298 427555586 /nfs/dbraw/zinc/55/55/86/427555586.db2.gz TVZNRSBWALKLLT-JTQLQIEISA-N 2 2 310.195 2.702 20 10 DFCDLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)cc1O ZINC000184842991 427548265 /nfs/dbraw/zinc/54/82/65/427548265.db2.gz QJNFHQXBLXZEOG-JTQLQIEISA-N 2 2 301.228 2.757 20 10 DFCDLP Cc1c2ccccc2n(C)c1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419722929 428940791 /nfs/dbraw/zinc/94/07/91/428940791.db2.gz FEONMQSJPGRWPR-UHFFFAOYSA-N 2 2 311.433 2.576 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000368477085 429854858 /nfs/dbraw/zinc/85/48/58/429854858.db2.gz BJKLSCVKYFJBAX-CYBMUJFWSA-N 2 2 315.417 2.827 20 10 DFCDLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297213996 335151389 /nfs/dbraw/zinc/15/13/89/335151389.db2.gz GUQNKVJHUVFHEN-IEBWSBKVSA-N 2 2 319.493 2.640 20 10 DFCDLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297213996 335151390 /nfs/dbraw/zinc/15/13/90/335151390.db2.gz GUQNKVJHUVFHEN-IEBWSBKVSA-N 2 2 319.493 2.640 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000371869113 336915131 /nfs/dbraw/zinc/91/51/31/336915131.db2.gz DGLKVNPVSIBZSS-VBQJREDUSA-N 2 2 322.424 2.683 20 10 DFCDLP C[N@@H+](Cc1cccc(Cl)c1O)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377858613 337062703 /nfs/dbraw/zinc/06/27/03/337062703.db2.gz AEVQPOMJWONOJB-LBPRGKRZSA-N 2 2 305.809 2.937 20 10 DFCDLP C[N@H+](Cc1cccc(Cl)c1O)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377858613 337062704 /nfs/dbraw/zinc/06/27/04/337062704.db2.gz AEVQPOMJWONOJB-LBPRGKRZSA-N 2 2 305.809 2.937 20 10 DFCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1O ZINC000185491800 287013794 /nfs/dbraw/zinc/01/37/94/287013794.db2.gz PBYRBWQTALYXAJ-ZIAGYGMSSA-N 2 2 322.424 2.683 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000273699572 426709637 /nfs/dbraw/zinc/70/96/37/426709637.db2.gz CZKHZHSHBMJERQ-RISCZKNCSA-N 2 2 310.825 2.580 20 10 DFCDLP COc1cc(Cl)cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000273699572 426709640 /nfs/dbraw/zinc/70/96/40/426709640.db2.gz CZKHZHSHBMJERQ-RISCZKNCSA-N 2 2 310.825 2.580 20 10 DFCDLP COc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1O ZINC000246809736 426868647 /nfs/dbraw/zinc/86/86/47/426868647.db2.gz RAKZWRMIHATPCG-DZGCQCFKSA-N 2 2 301.390 2.680 20 10 DFCDLP COc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1O ZINC000246809736 426868651 /nfs/dbraw/zinc/86/86/51/426868651.db2.gz RAKZWRMIHATPCG-DZGCQCFKSA-N 2 2 301.390 2.680 20 10 DFCDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295497214 426982858 /nfs/dbraw/zinc/98/28/58/426982858.db2.gz YBGJLGQBBUGNQT-LLVKDONJSA-N 2 2 300.805 2.958 20 10 DFCDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295497214 426982866 /nfs/dbraw/zinc/98/28/66/426982866.db2.gz YBGJLGQBBUGNQT-LLVKDONJSA-N 2 2 300.805 2.958 20 10 DFCDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295497214 426982872 /nfs/dbraw/zinc/98/28/72/426982872.db2.gz YBGJLGQBBUGNQT-LLVKDONJSA-N 2 2 300.805 2.958 20 10 DFCDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295497214 426982882 /nfs/dbraw/zinc/98/28/82/426982882.db2.gz YBGJLGQBBUGNQT-LLVKDONJSA-N 2 2 300.805 2.958 20 10 DFCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000268970304 427143494 /nfs/dbraw/zinc/14/34/94/427143494.db2.gz MSUDOJCOYRNJLM-NVXWUHKLSA-N 2 2 324.852 2.513 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293093524 427214096 /nfs/dbraw/zinc/21/40/96/427214096.db2.gz XEQAGGPTIYODED-SFHVURJKSA-N 2 2 320.408 2.652 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293093524 427214102 /nfs/dbraw/zinc/21/41/02/427214102.db2.gz XEQAGGPTIYODED-SFHVURJKSA-N 2 2 320.408 2.652 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1O ZINC000293093524 427214109 /nfs/dbraw/zinc/21/41/09/427214109.db2.gz XEQAGGPTIYODED-SFHVURJKSA-N 2 2 320.408 2.652 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1O ZINC000293093524 427214116 /nfs/dbraw/zinc/21/41/16/427214116.db2.gz XEQAGGPTIYODED-SFHVURJKSA-N 2 2 320.408 2.652 20 10 DFCDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859552 427464664 /nfs/dbraw/zinc/46/46/64/427464664.db2.gz IFLIOMKNDVWNGD-YGRLFVJLSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859552 427464668 /nfs/dbraw/zinc/46/46/68/427464668.db2.gz IFLIOMKNDVWNGD-YGRLFVJLSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859552 427464679 /nfs/dbraw/zinc/46/46/79/427464679.db2.gz IFLIOMKNDVWNGD-YGRLFVJLSA-N 2 2 300.805 2.957 20 10 DFCDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293859552 427464687 /nfs/dbraw/zinc/46/46/87/427464687.db2.gz IFLIOMKNDVWNGD-YGRLFVJLSA-N 2 2 300.805 2.957 20 10 DFCDLP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185014479 427578205 /nfs/dbraw/zinc/57/82/05/427578205.db2.gz BPSVCDFFYVYZTJ-HNNXBMFYSA-N 2 2 323.456 2.600 20 10 DFCDLP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185014479 427578213 /nfs/dbraw/zinc/57/82/13/427578213.db2.gz BPSVCDFFYVYZTJ-HNNXBMFYSA-N 2 2 323.456 2.600 20 10 DFCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1F ZINC000372588616 428468209 /nfs/dbraw/zinc/46/82/09/428468209.db2.gz SBXVJGURVLHCSJ-AWEZNQCLSA-N 2 2 302.397 2.755 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000373252470 428529296 /nfs/dbraw/zinc/52/92/96/428529296.db2.gz NMXXPNFDLGWOMH-UBHSHLNASA-N 2 2 310.825 2.559 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000373252470 428529304 /nfs/dbraw/zinc/52/93/04/428529304.db2.gz NMXXPNFDLGWOMH-UBHSHLNASA-N 2 2 310.825 2.559 20 10 DFCDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cc(F)ccc1O ZINC000363855232 428999280 /nfs/dbraw/zinc/99/92/80/428999280.db2.gz NDFWXRLUDUVYNI-GFCCVEGCSA-N 2 2 312.348 2.963 20 10 DFCDLP CCOc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000367699280 429704048 /nfs/dbraw/zinc/70/40/48/429704048.db2.gz HLYSVYUPVNCCFA-AWEZNQCLSA-N 2 2 301.390 2.514 20 10 DFCDLP CCOc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000367699280 429704055 /nfs/dbraw/zinc/70/40/55/429704055.db2.gz HLYSVYUPVNCCFA-AWEZNQCLSA-N 2 2 301.390 2.514 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000368314864 429830317 /nfs/dbraw/zinc/83/03/17/429830317.db2.gz GGASTCRUIOKWKH-STQMWFEESA-N 2 2 301.390 2.571 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000175716535 333103308 /nfs/dbraw/zinc/10/33/08/333103308.db2.gz UHALWUGUGCNDPW-ABAIWWIYSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000175716535 333103309 /nfs/dbraw/zinc/10/33/09/333103309.db2.gz UHALWUGUGCNDPW-ABAIWWIYSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000175716535 333103310 /nfs/dbraw/zinc/10/33/10/333103310.db2.gz UHALWUGUGCNDPW-ABAIWWIYSA-N 2 2 308.397 2.648 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000175716535 333103311 /nfs/dbraw/zinc/10/33/11/333103311.db2.gz UHALWUGUGCNDPW-ABAIWWIYSA-N 2 2 308.397 2.648 20 10 DFCDLP Oc1cc2c(cc1C[NH+]1CCC([NH2+]C3CCCC3)CC1)OCO2 ZINC000367418894 336822253 /nfs/dbraw/zinc/82/22/53/336822253.db2.gz MIYWFUGROPBICG-UHFFFAOYSA-N 2 2 318.417 2.618 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(Cl)ccc1O ZINC000376892183 337043291 /nfs/dbraw/zinc/04/32/91/337043291.db2.gz IGMKATRHAQBELR-CFVMTHIKSA-N 2 2 324.852 2.950 20 10 DFCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(Cl)ccc1O ZINC000376892183 337043292 /nfs/dbraw/zinc/04/32/92/337043292.db2.gz IGMKATRHAQBELR-CFVMTHIKSA-N 2 2 324.852 2.950 20 10 DFCDLP COc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000184989416 337202196 /nfs/dbraw/zinc/20/21/96/337202196.db2.gz BXXFWPMXQQWRLU-ZDUSSCGKSA-N 2 2 324.384 2.832 20 10 DFCDLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc(F)ccc1O ZINC000184989823 337202243 /nfs/dbraw/zinc/20/22/43/337202243.db2.gz PVDPBVDKHIYYQQ-LBPRGKRZSA-N 2 2 312.348 2.963 20 10 DFCDLP Oc1c(Cl)cccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249841 340783823 /nfs/dbraw/zinc/78/38/23/340783823.db2.gz ZCGLETAREBLKBJ-HNNXBMFYSA-N 2 2 324.852 2.636 20 10 DFCDLP Oc1cc2c(cc1C[NH+]1CCC([NH+]3CCCCC3)CC1)OCO2 ZINC000299643239 534450166 /nfs/dbraw/zinc/45/01/66/534450166.db2.gz IIYOQTWGWUSCSP-UHFFFAOYSA-N 2 2 318.417 2.571 20 10 DFCDLP Oc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCCO1 ZINC000182897949 526371914 /nfs/dbraw/zinc/37/19/14/526371914.db2.gz DKGWOIAMWMHCCH-QGZVFWFLSA-N 2 2 315.417 2.660 20 10 DFCDLP Oc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCCO1 ZINC000182897949 526371921 /nfs/dbraw/zinc/37/19/21/526371921.db2.gz DKGWOIAMWMHCCH-QGZVFWFLSA-N 2 2 315.417 2.660 20 10 DFCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000272297442 130016656 /nfs/dbraw/zinc/01/66/56/130016656.db2.gz PBHYXKDRBRNBTI-ZDUSSCGKSA-N 2 2 301.365 2.860 20 10 DFCDLP Oc1c(F)cccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000272297442 130016657 /nfs/dbraw/zinc/01/66/57/130016657.db2.gz PBHYXKDRBRNBTI-ZDUSSCGKSA-N 2 2 301.365 2.860 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000177169855 426450058 /nfs/dbraw/zinc/45/00/58/426450058.db2.gz OOZSWQMCWUCLGZ-GFCCVEGCSA-N 2 2 310.825 2.632 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000177169855 426450061 /nfs/dbraw/zinc/45/00/61/426450061.db2.gz OOZSWQMCWUCLGZ-GFCCVEGCSA-N 2 2 310.825 2.632 20 10 DFCDLP COc1cccc(C[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)c1O ZINC000237212587 426689938 /nfs/dbraw/zinc/68/99/38/426689938.db2.gz HAWWPUHFZBLWIS-INIZCTEOSA-N 2 2 300.402 2.793 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290409279 426758348 /nfs/dbraw/zinc/75/83/48/426758348.db2.gz JXTMHPUWHKJIFC-BXUZGUMPSA-N 2 2 312.841 2.826 20 10 DFCDLP COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1O ZINC000290409279 426758352 /nfs/dbraw/zinc/75/83/52/426758352.db2.gz JXTMHPUWHKJIFC-BXUZGUMPSA-N 2 2 312.841 2.826 20 10 DFCDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1O ZINC000290654400 426813273 /nfs/dbraw/zinc/81/32/73/426813273.db2.gz ZGBHYWQIHVNFJP-UHFFFAOYSA-N 2 2 324.222 2.873 20 10 DFCDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1O ZINC000290654400 426813275 /nfs/dbraw/zinc/81/32/75/426813275.db2.gz ZGBHYWQIHVNFJP-UHFFFAOYSA-N 2 2 324.222 2.873 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000292065974 427076793 /nfs/dbraw/zinc/07/67/93/427076793.db2.gz DCNOYOPVBOUOTL-QGZVFWFLSA-N 2 2 322.836 2.776 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000292065974 427076799 /nfs/dbraw/zinc/07/67/99/427076799.db2.gz DCNOYOPVBOUOTL-QGZVFWFLSA-N 2 2 322.836 2.776 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000292065974 427076806 /nfs/dbraw/zinc/07/68/06/427076806.db2.gz DCNOYOPVBOUOTL-QGZVFWFLSA-N 2 2 322.836 2.776 20 10 DFCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000292065974 427076810 /nfs/dbraw/zinc/07/68/10/427076810.db2.gz DCNOYOPVBOUOTL-QGZVFWFLSA-N 2 2 322.836 2.776 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277215984 427137953 /nfs/dbraw/zinc/13/79/53/427137953.db2.gz NPYZXQZUYVFHPI-HNNXBMFYSA-N 2 2 308.397 2.650 20 10 DFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277215984 427137958 /nfs/dbraw/zinc/13/79/58/427137958.db2.gz NPYZXQZUYVFHPI-HNNXBMFYSA-N 2 2 308.397 2.650 20 10 DFCDLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000268980098 427143240 /nfs/dbraw/zinc/14/32/40/427143240.db2.gz OPOZUQIRQOZCSR-RHSMWYFYSA-N 2 2 307.507 2.841 20 10 DFCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000268970309 427143407 /nfs/dbraw/zinc/14/34/07/427143407.db2.gz MSUDOJCOYRNJLM-WBVHZDCISA-N 2 2 324.852 2.513 20 10 DFCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1O ZINC000278791105 427452542 /nfs/dbraw/zinc/45/25/42/427452542.db2.gz YRUJTAZFIJBNES-UONOGXRCSA-N 2 2 310.413 2.683 20 10 DFCDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1O ZINC000278791105 427452551 /nfs/dbraw/zinc/45/25/51/427452551.db2.gz YRUJTAZFIJBNES-UONOGXRCSA-N 2 2 310.413 2.683 20 10 DFCDLP COc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000184698430 427522543 /nfs/dbraw/zinc/52/25/43/427522543.db2.gz IYDYHHQKHGMCBL-BXUZGUMPSA-N 2 2 312.841 2.969 20 10 DFCDLP COc1cc(Cl)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000184698430 427522550 /nfs/dbraw/zinc/52/25/50/427522550.db2.gz IYDYHHQKHGMCBL-BXUZGUMPSA-N 2 2 312.841 2.969 20 10 DFCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c(O)c1 ZINC000371870278 428406428 /nfs/dbraw/zinc/40/64/28/428406428.db2.gz OXWJLLLDYPOIDH-XYJFISCASA-N 2 2 318.461 2.852 20 10 DFCDLP Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000362036118 428612733 /nfs/dbraw/zinc/61/27/33/428612733.db2.gz FKGLJJZWJROCQN-FMKPAKJESA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000362036118 428612738 /nfs/dbraw/zinc/61/27/38/428612738.db2.gz FKGLJJZWJROCQN-FMKPAKJESA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000362036118 428612741 /nfs/dbraw/zinc/61/27/41/428612741.db2.gz FKGLJJZWJROCQN-FMKPAKJESA-N 2 2 306.837 2.962 20 10 DFCDLP Oc1c(Cl)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000362036118 428612746 /nfs/dbraw/zinc/61/27/46/428612746.db2.gz FKGLJJZWJROCQN-FMKPAKJESA-N 2 2 306.837 2.962 20 10 DFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1O ZINC000367757470 429712426 /nfs/dbraw/zinc/71/24/26/429712426.db2.gz ZIDNTMSAUGGCSQ-VNQPRFMTSA-N 2 2 324.852 2.729 20 10 DFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1O ZINC000367757470 429712432 /nfs/dbraw/zinc/71/24/32/429712432.db2.gz ZIDNTMSAUGGCSQ-VNQPRFMTSA-N 2 2 324.852 2.729 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1O ZINC000376900389 337043411 /nfs/dbraw/zinc/04/34/11/337043411.db2.gz ZMLOYEZCNJRLGR-ZENOOKHLSA-N 2 2 324.852 2.950 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1O ZINC000376900389 337043412 /nfs/dbraw/zinc/04/34/12/337043412.db2.gz ZMLOYEZCNJRLGR-ZENOOKHLSA-N 2 2 324.852 2.950 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377890305 337063486 /nfs/dbraw/zinc/06/34/86/337063486.db2.gz UHOAJCVYECQBEK-CHWSQXEVSA-N 2 2 301.390 2.685 20 10 DFCDLP COc1ccc(O)c([C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377890305 337063487 /nfs/dbraw/zinc/06/34/87/337063487.db2.gz UHOAJCVYECQBEK-CHWSQXEVSA-N 2 2 301.390 2.685 20 10 DFCDLP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187752927 286198546 /nfs/dbraw/zinc/19/85/46/286198546.db2.gz FDSNQXQIOBEWHM-NEPJUHHUSA-N 2 2 316.392 2.678 20 10 DFCDLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(C)cc1O ZINC000280075778 426503963 /nfs/dbraw/zinc/50/39/63/426503963.db2.gz LKJGTTLTCUJDAU-WBVHZDCISA-N 2 2 306.450 2.710 20 10 DFCDLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273444783 426665440 /nfs/dbraw/zinc/66/54/40/426665440.db2.gz ZRSMSIWUHHKJOL-ZDUSSCGKSA-N 2 2 308.422 2.561 20 10 DFCDLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000268980097 427142119 /nfs/dbraw/zinc/14/21/19/427142119.db2.gz OPOZUQIRQOZCSR-PBHICJAKSA-N 2 2 307.507 2.841 20 10 DFCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000271139348 427412324 /nfs/dbraw/zinc/41/23/24/427412324.db2.gz WDWCAYKASHLXNT-AWEZNQCLSA-N 2 2 302.397 2.994 20 10 DFCDLP CN(C)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000271139348 427412330 /nfs/dbraw/zinc/41/23/30/427412330.db2.gz WDWCAYKASHLXNT-AWEZNQCLSA-N 2 2 302.397 2.994 20 10 DFCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000271139349 427412377 /nfs/dbraw/zinc/41/23/77/427412377.db2.gz WDWCAYKASHLXNT-CQSZACIVSA-N 2 2 302.397 2.994 20 10 DFCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000271139349 427412385 /nfs/dbraw/zinc/41/23/85/427412385.db2.gz WDWCAYKASHLXNT-CQSZACIVSA-N 2 2 302.397 2.994 20 10 DFCDLP COc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000184698488 427522354 /nfs/dbraw/zinc/52/23/54/427522354.db2.gz IYDYHHQKHGMCBL-FZMZJTMJSA-N 2 2 312.841 2.969 20 10 DFCDLP COc1cc(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000184698488 427522357 /nfs/dbraw/zinc/52/23/57/427522357.db2.gz IYDYHHQKHGMCBL-FZMZJTMJSA-N 2 2 312.841 2.969 20 10 DFCDLP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000184914618 427564051 /nfs/dbraw/zinc/56/40/51/427564051.db2.gz XLOCIGAAGLWLGC-BZUAXINKSA-N 2 2 306.450 2.851 20 10 DFCDLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1O ZINC000184914826 427565115 /nfs/dbraw/zinc/56/51/15/427565115.db2.gz YNOCBCYZKBODHU-MCIONIFRSA-N 2 2 310.413 2.681 20 10 DFCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1O ZINC000185114810 427596611 /nfs/dbraw/zinc/59/66/11/427596611.db2.gz JIZIAVXNAGRYTL-GXTWGEPZSA-N 2 2 312.841 2.543 20 10 DFCDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1O ZINC000185142521 427602832 /nfs/dbraw/zinc/60/28/32/427602832.db2.gz IQCDRSXOZPBZSL-PWSUYJOCSA-N 2 2 313.239 2.900 20 10 DFCDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1O ZINC000185142521 427602841 /nfs/dbraw/zinc/60/28/41/427602841.db2.gz IQCDRSXOZPBZSL-PWSUYJOCSA-N 2 2 313.239 2.900 20 10 DFCDLP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccccc1O ZINC000371681558 428400966 /nfs/dbraw/zinc/40/09/66/428400966.db2.gz ROQGURLERIANNP-ZOBUZTSGSA-N 2 2 304.434 2.544 20 10 DFCDLP C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372544731 428460492 /nfs/dbraw/zinc/46/04/92/428460492.db2.gz LYORPGCPJBSTLW-LBPRGKRZSA-N 2 2 305.809 2.937 20 10 DFCDLP C[N@H+](Cc1cccc(Cl)c1O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372544731 428460499 /nfs/dbraw/zinc/46/04/99/428460499.db2.gz LYORPGCPJBSTLW-LBPRGKRZSA-N 2 2 305.809 2.937 20 10 DFCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373227917 428523886 /nfs/dbraw/zinc/52/38/86/428523886.db2.gz KXHJOESJYLTJNU-AWEZNQCLSA-N 2 2 315.417 2.904 20 10 DFCDLP Cc1cccn2c(C[NH2+]Cc3ccc4c(c3)CCN4C)c[nH+]c12 ZINC000364450446 429205775 /nfs/dbraw/zinc/20/57/75/429205775.db2.gz SZBYFGSMBXYABV-UHFFFAOYSA-N 2 2 306.413 2.925 20 10 DFCDLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1O ZINC000368478742 429855259 /nfs/dbraw/zinc/85/52/59/429855259.db2.gz VVMWTNIMQPZRFR-GFCCVEGCSA-N 2 2 303.381 2.957 20 10 DFCDLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000153231578 288047255 /nfs/dbraw/zinc/04/72/55/288047255.db2.gz MBQVXMDLPTWTIB-LPHOPBHVSA-N 2 2 319.493 2.762 20 10 DFCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1O ZINC000273481189 289940002 /nfs/dbraw/zinc/94/00/02/289940002.db2.gz MBAQNQVLMZUHPH-JCURWCKSSA-N 2 2 322.424 2.560 20 10 DFCDLP CCOc1cccc(C[NH2+]Cc2[nH+]c(C)n3c2CCCC3)c1O ZINC000360054199 337084416 /nfs/dbraw/zinc/08/44/16/337084416.db2.gz AVIAXXHWZGAJFF-UHFFFAOYSA-N 2 2 315.417 2.922 20 10 DFCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182090714 337184459 /nfs/dbraw/zinc/18/44/59/337184459.db2.gz QBEOPRJCTRQIMU-CQSZACIVSA-N 2 2 315.417 2.589 20 10 DFCDLP COc1ccc(O)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182090714 337184460 /nfs/dbraw/zinc/18/44/60/337184460.db2.gz QBEOPRJCTRQIMU-CQSZACIVSA-N 2 2 315.417 2.589 20 10 DFCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000184697704 337199812 /nfs/dbraw/zinc/19/98/12/337199812.db2.gz JEQMFMPPABASHY-CYBMUJFWSA-N 2 2 324.852 2.972 20 10 DFCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000130364259 526363798 /nfs/dbraw/zinc/36/37/98/526363798.db2.gz QQPZEFWTUHFQSA-ZDUSSCGKSA-N 2 2 324.852 2.636 20 10 DFCDLP