smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C/c1ccccc1)C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000520949014 332119112 /nfs/dbraw/zinc/11/91/12/332119112.db2.gz OJTGGBRPAVDDRE-RGEXLXHISA-N 2 1 322.496 4.720 20 0 DJADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559766903 332280379 /nfs/dbraw/zinc/28/03/79/332280379.db2.gz OOGCHBNSZKCZLW-QIJUGHKUSA-N 2 1 322.496 4.524 20 0 DJADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559766903 332280381 /nfs/dbraw/zinc/28/03/81/332280381.db2.gz OOGCHBNSZKCZLW-QIJUGHKUSA-N 2 1 322.496 4.524 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000378906256 333062456 /nfs/dbraw/zinc/06/24/56/333062456.db2.gz FKTIRYKYHHXCBQ-HSQYWUDLSA-N 2 1 320.480 4.631 20 0 DJADMP CCSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000534495573 334277544 /nfs/dbraw/zinc/27/75/44/334277544.db2.gz DOKAUZGAIKCUGF-DLBZAZTESA-N 2 1 320.546 4.570 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980945 334352887 /nfs/dbraw/zinc/35/28/87/334352887.db2.gz QGTODUQSSSVRRC-VKJFTORMSA-N 2 1 314.498 4.548 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980945 334352889 /nfs/dbraw/zinc/35/28/89/334352889.db2.gz QGTODUQSSSVRRC-VKJFTORMSA-N 2 1 314.498 4.548 20 0 DJADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000341688363 334470415 /nfs/dbraw/zinc/47/04/15/334470415.db2.gz DWIOZAWWEXAOAM-FQEVSTJZSA-N 2 1 313.489 4.657 20 0 DJADMP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000342193495 334516161 /nfs/dbraw/zinc/51/61/61/334516161.db2.gz NARFQMHLYIDMMZ-SFHVURJKSA-N 2 1 319.880 4.756 20 0 DJADMP c1cc2[nH+]ccc(NC3CCC([NH+]4CCCCC4)CC3)c2s1 ZINC000301567969 336315500 /nfs/dbraw/zinc/31/55/00/336315500.db2.gz WXYNDSLWUHZFSQ-UHFFFAOYSA-N 2 1 315.486 4.505 20 0 DJADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000443082458 336398430 /nfs/dbraw/zinc/39/84/30/336398430.db2.gz YLOIWMUOTCNYQF-FUHWJXTLSA-N 2 1 308.535 4.547 20 0 DJADMP CC(C)CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccoc1 ZINC000353393822 336415115 /nfs/dbraw/zinc/41/51/15/336415115.db2.gz KGGRRKJLSBQXOX-GOSISDBHSA-N 2 1 306.494 4.609 20 0 DJADMP Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(C)o1 ZINC000119399430 336886969 /nfs/dbraw/zinc/88/69/69/336886969.db2.gz HNGZTGFKIIOHSQ-HUUCEWRRSA-N 2 1 323.440 4.802 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccsc2)cc1 ZINC000178395788 337164358 /nfs/dbraw/zinc/16/43/58/337164358.db2.gz OFURINNNZKNKFO-UONOGXRCSA-N 2 1 311.454 4.654 20 0 DJADMP CCSc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422714678 337683889 /nfs/dbraw/zinc/68/38/89/337683889.db2.gz LHXDBQDTBPIGLL-AGRHKRQWSA-N 2 1 312.482 4.594 20 0 DJADMP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000422935817 337692452 /nfs/dbraw/zinc/69/24/52/337692452.db2.gz DVYFWFGTEYZPBB-ZACQAIPSSA-N 2 1 300.471 4.570 20 0 DJADMP CC[C@@H](C)[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000462122090 339072509 /nfs/dbraw/zinc/07/25/09/339072509.db2.gz RJQWGZJQSZLEFD-KDOFPFPSSA-N 2 1 308.897 4.501 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)c2ccccc21 ZINC000462835548 339093424 /nfs/dbraw/zinc/09/34/24/339093424.db2.gz BWUHNBRMGMHDLB-QLFBSQMISA-N 2 1 316.876 4.627 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)c2ccccc21 ZINC000462835548 339093425 /nfs/dbraw/zinc/09/34/25/339093425.db2.gz BWUHNBRMGMHDLB-QLFBSQMISA-N 2 1 316.876 4.627 20 0 DJADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1csc(Cl)c1 ZINC000468818392 339271586 /nfs/dbraw/zinc/27/15/86/339271586.db2.gz CZZXAIPGUAEOKH-ZIAGYGMSSA-N 2 1 314.926 4.707 20 0 DJADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1csc(Cl)c1 ZINC000469061574 339278970 /nfs/dbraw/zinc/27/89/70/339278970.db2.gz SHZDTTBPYLGXGZ-KBPBESRZSA-N 2 1 314.926 4.564 20 0 DJADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000499068273 340029054 /nfs/dbraw/zinc/02/90/54/340029054.db2.gz GBQPPRVCJLMFGH-QGZVFWFLSA-N 2 1 319.452 4.552 20 0 DJADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000499068273 340029055 /nfs/dbraw/zinc/02/90/55/340029055.db2.gz GBQPPRVCJLMFGH-QGZVFWFLSA-N 2 1 319.452 4.552 20 0 DJADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512320450 340356880 /nfs/dbraw/zinc/35/68/80/340356880.db2.gz BIKPSFRUNJAQJP-GBESFXJTSA-N 2 1 314.517 4.607 20 0 DJADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c(C)o1 ZINC000513051205 340391067 /nfs/dbraw/zinc/39/10/67/340391067.db2.gz JZRQGJBCWHIXPF-SIXWZSSISA-N 2 1 318.505 4.590 20 0 DJADMP CC(C)(C)C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000539497986 340887767 /nfs/dbraw/zinc/88/77/67/340887767.db2.gz BHTAEIRWTZXYIY-IBGZPJMESA-N 2 1 318.480 4.519 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000539624410 340893188 /nfs/dbraw/zinc/89/31/88/340893188.db2.gz QEBGXMYXKHEXFP-MRXNPFEDSA-N 2 1 317.436 4.521 20 0 DJADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)s2)CC1 ZINC000543602257 341050727 /nfs/dbraw/zinc/05/07/27/341050727.db2.gz NBHAUAFMTMLVLH-HNNXBMFYSA-N 2 1 314.498 4.550 20 0 DJADMP C[C@H](CC[NH2+][C@@H]1C[C@H](C)Sc2sccc21)[NH+]1CCCCC1 ZINC000544373533 341078873 /nfs/dbraw/zinc/07/88/73/341078873.db2.gz MWFIJLMCUXZDDW-IJEWVQPXSA-N 2 1 324.559 4.528 20 0 DJADMP C[N@@H+]1CC[C@@H]([NH2+]CCC2=CCCCCC2)C[C@@H]1c1ccccc1 ZINC000550795875 341323176 /nfs/dbraw/zinc/32/31/76/341323176.db2.gz MEMNIDDLEYQMKY-NHCUHLMSSA-N 2 1 312.501 4.692 20 0 DJADMP C[N@H+]1CC[C@@H]([NH2+]CCC2=CCCCCC2)C[C@@H]1c1ccccc1 ZINC000550795875 341323177 /nfs/dbraw/zinc/32/31/77/341323177.db2.gz MEMNIDDLEYQMKY-NHCUHLMSSA-N 2 1 312.501 4.692 20 0 DJADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[C@H]1c1ccccc1 ZINC000550995585 341328687 /nfs/dbraw/zinc/32/86/87/341328687.db2.gz GOJBNFOFUCFIML-FKBYEOEOSA-N 2 1 320.480 4.563 20 0 DJADMP C[N@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[C@H]1c1ccccc1 ZINC000550995585 341328688 /nfs/dbraw/zinc/32/86/88/341328688.db2.gz GOJBNFOFUCFIML-FKBYEOEOSA-N 2 1 320.480 4.563 20 0 DJADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccco1 ZINC000247180532 341361904 /nfs/dbraw/zinc/36/19/04/341361904.db2.gz VDHDMTLHTUKJFT-DLBZAZTESA-N 2 1 312.457 4.505 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)cc1 ZINC000178050523 341942510 /nfs/dbraw/zinc/94/25/10/341942510.db2.gz DOPUOGKXSRVEMF-LSDHHAIUSA-N 2 1 323.415 4.732 20 0 DJADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000227537027 522726534 /nfs/dbraw/zinc/72/65/34/522726534.db2.gz FFXQFEJAVPOXPV-FGTMMUONSA-N 2 1 300.833 4.526 20 0 DJADMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000227537042 522761583 /nfs/dbraw/zinc/76/15/83/522761583.db2.gz FFXQFEJAVPOXPV-SQNIBIBYSA-N 2 1 300.833 4.526 20 0 DJADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC000518274452 332004403 /nfs/dbraw/zinc/00/44/03/332004403.db2.gz GRBNDTYAWRHLDQ-HXUWFJFHSA-N 2 1 322.496 4.564 20 0 DJADMP Cc1ccc2cc([C@@H](C)[NH2+]C3CC[NH+](C(C)(C)C)CC3)oc2c1 ZINC000426061428 335095260 /nfs/dbraw/zinc/09/52/60/335095260.db2.gz UKYQXNLGSZITBH-OAHLLOKOSA-N 2 1 314.473 4.655 20 0 DJADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559766904 332280198 /nfs/dbraw/zinc/28/01/98/332280198.db2.gz OOGCHBNSZKCZLW-STZQEDGTSA-N 2 1 322.496 4.524 20 0 DJADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559766904 332280199 /nfs/dbraw/zinc/28/01/99/332280199.db2.gz OOGCHBNSZKCZLW-STZQEDGTSA-N 2 1 322.496 4.524 20 0 DJADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000562612890 332609151 /nfs/dbraw/zinc/60/91/51/332609151.db2.gz WDJNEAZDHWNYCR-MOPGFXCFSA-N 2 1 322.496 4.605 20 0 DJADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000462748035 333107205 /nfs/dbraw/zinc/10/72/05/333107205.db2.gz GDFOJEPKGDILHD-WAOWUJCRSA-N 2 1 314.517 4.770 20 0 DJADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC000531959222 334314828 /nfs/dbraw/zinc/31/48/28/334314828.db2.gz RTHLFPMTLNDEAI-JOCHJYFZSA-N 2 1 322.496 4.769 20 0 DJADMP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000531967519 334326117 /nfs/dbraw/zinc/32/61/17/334326117.db2.gz UDNULYBRZXOZRA-MOPGFXCFSA-N 2 1 322.496 4.871 20 0 DJADMP CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000532454800 336248265 /nfs/dbraw/zinc/24/82/65/336248265.db2.gz RIHOENSRVBDPHC-MRXNPFEDSA-N 2 1 315.288 4.518 20 0 DJADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1C(F)(F)F ZINC000422918710 337691376 /nfs/dbraw/zinc/69/13/76/337691376.db2.gz IKZMJIMRPNGWLU-GOPGUHFVSA-N 2 1 320.358 4.501 20 0 DJADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)CC2 ZINC000423062361 337697905 /nfs/dbraw/zinc/69/79/05/337697905.db2.gz MUOUGMOZKLXJDG-HBMCJLEFSA-N 2 1 306.453 4.532 20 0 DJADMP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000423086649 337698744 /nfs/dbraw/zinc/69/87/44/337698744.db2.gz NQGRSKIUBZFJHJ-XRXFAXGQSA-N 2 1 306.453 4.605 20 0 DJADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436271675 338264722 /nfs/dbraw/zinc/26/47/22/338264722.db2.gz RAQDQUOCKPKHMD-HMXCVIKNSA-N 2 1 314.517 4.567 20 0 DJADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436271676 338264814 /nfs/dbraw/zinc/26/48/14/338264814.db2.gz RAQDQUOCKPKHMD-NRSPTQNISA-N 2 1 314.517 4.567 20 0 DJADMP CCC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000462728322 339085051 /nfs/dbraw/zinc/08/50/51/339085051.db2.gz SEMWYSNBWIODAD-OLECLDRESA-N 2 1 320.546 4.689 20 0 DJADMP CCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000462728322 339085052 /nfs/dbraw/zinc/08/50/52/339085052.db2.gz SEMWYSNBWIODAD-OLECLDRESA-N 2 1 320.546 4.689 20 0 DJADMP CCC1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000462728321 339085058 /nfs/dbraw/zinc/08/50/58/339085058.db2.gz SEMWYSNBWIODAD-MPLMCADHSA-N 2 1 320.546 4.689 20 0 DJADMP CCC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000462728321 339085059 /nfs/dbraw/zinc/08/50/59/339085059.db2.gz SEMWYSNBWIODAD-MPLMCADHSA-N 2 1 320.546 4.689 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000462729525 339085245 /nfs/dbraw/zinc/08/52/45/339085245.db2.gz RDABCYWCWLAJFW-DFEOGRTESA-N 2 1 320.546 4.689 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000462729525 339085246 /nfs/dbraw/zinc/08/52/46/339085246.db2.gz RDABCYWCWLAJFW-DFEOGRTESA-N 2 1 320.546 4.689 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000462780829 339088111 /nfs/dbraw/zinc/08/81/11/339088111.db2.gz ZNIZSSOCDMXQAB-KURKYZTESA-N 2 1 320.546 4.519 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000462780829 339088112 /nfs/dbraw/zinc/08/81/12/339088112.db2.gz ZNIZSSOCDMXQAB-KURKYZTESA-N 2 1 320.546 4.519 20 0 DJADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000464772634 339152319 /nfs/dbraw/zinc/15/23/19/339152319.db2.gz FIPPBAAYNAQBKK-ZWKOTPCHSA-N 2 1 310.485 4.565 20 0 DJADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1csc(Cl)c1 ZINC000468818375 339271646 /nfs/dbraw/zinc/27/16/46/339271646.db2.gz CZZXAIPGUAEOKH-UONOGXRCSA-N 2 1 314.926 4.707 20 0 DJADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1csc(Cl)c1 ZINC000469061919 339278898 /nfs/dbraw/zinc/27/88/98/339278898.db2.gz SHZDTTBPYLGXGZ-UONOGXRCSA-N 2 1 314.926 4.564 20 0 DJADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470961607 339333137 /nfs/dbraw/zinc/33/31/37/339333137.db2.gz TYKRYCVWFDGPOB-MJGOQNOKSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470961607 339333138 /nfs/dbraw/zinc/33/31/38/339333138.db2.gz TYKRYCVWFDGPOB-MJGOQNOKSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470961607 339333139 /nfs/dbraw/zinc/33/31/39/339333139.db2.gz TYKRYCVWFDGPOB-MJGOQNOKSA-N 2 1 322.496 4.565 20 0 DJADMP Cc1[nH+]ccn1CC[N@@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000499048893 340028459 /nfs/dbraw/zinc/02/84/59/340028459.db2.gz UXZJBLPXKIKFQB-INIZCTEOSA-N 2 1 319.452 4.570 20 0 DJADMP Cc1[nH+]ccn1CC[N@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000499048893 340028460 /nfs/dbraw/zinc/02/84/60/340028460.db2.gz UXZJBLPXKIKFQB-INIZCTEOSA-N 2 1 319.452 4.570 20 0 DJADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC2=CCCCC2)C3)cc1 ZINC000499160908 340031400 /nfs/dbraw/zinc/03/14/00/340031400.db2.gz JQJMBHDHNOZSPR-DKUWSORSSA-N 2 1 324.512 4.662 20 0 DJADMP CCC[N@H+](CCCCn1cc[nH+]c1C)[C@H](CC)c1ccccc1 ZINC000502715300 340112199 /nfs/dbraw/zinc/11/21/99/340112199.db2.gz IPQVQMSFRLMERA-HXUWFJFHSA-N 2 1 313.489 4.835 20 0 DJADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](CC)c1ccccc1 ZINC000502715300 340112200 /nfs/dbraw/zinc/11/22/00/340112200.db2.gz IPQVQMSFRLMERA-HXUWFJFHSA-N 2 1 313.489 4.835 20 0 DJADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510732378 340308463 /nfs/dbraw/zinc/30/84/63/340308463.db2.gz HXIJVEHMPXVOBQ-YLJYHZDGSA-N 2 1 320.496 4.535 20 0 DJADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510732377 340308552 /nfs/dbraw/zinc/30/85/52/340308552.db2.gz HXIJVEHMPXVOBQ-XLIONFOSSA-N 2 1 320.496 4.535 20 0 DJADMP C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512314123 340356617 /nfs/dbraw/zinc/35/66/17/340356617.db2.gz MKNUNNKMWLOWTQ-ZMSDIMECSA-N 2 1 320.908 4.644 20 0 DJADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000512317715 340356708 /nfs/dbraw/zinc/35/67/08/340356708.db2.gz FRPDMRJUWRIXGV-VYDXJSESSA-N 2 1 320.546 4.669 20 0 DJADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512318026 340356782 /nfs/dbraw/zinc/35/67/82/340356782.db2.gz JAJQNOUZIDHGTC-PMPSAXMXSA-N 2 1 320.908 4.644 20 0 DJADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512318026 340356783 /nfs/dbraw/zinc/35/67/83/340356783.db2.gz JAJQNOUZIDHGTC-PMPSAXMXSA-N 2 1 320.908 4.644 20 0 DJADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512330387 340357470 /nfs/dbraw/zinc/35/74/70/340357470.db2.gz UDWYBDBWVKTXIC-ZMSDIMECSA-N 2 1 320.908 4.644 20 0 DJADMP c1ccc([C@@H](CC2CCCC2)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000513487843 340410205 /nfs/dbraw/zinc/41/02/05/340410205.db2.gz KWTWITXOTDYFFT-OAQYLSRUSA-N 2 1 312.501 4.524 20 0 DJADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000539216367 340876760 /nfs/dbraw/zinc/87/67/60/340876760.db2.gz DYFNSSPZEQHDQX-SFHVURJKSA-N 2 1 319.880 4.612 20 0 DJADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550665083 341320824 /nfs/dbraw/zinc/32/08/24/341320824.db2.gz DLPXGFYQJBIVGL-STZQEDGTSA-N 2 1 322.496 4.524 20 0 DJADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550665083 341320825 /nfs/dbraw/zinc/32/08/25/341320825.db2.gz DLPXGFYQJBIVGL-STZQEDGTSA-N 2 1 322.496 4.524 20 0 DJADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[C@@H]1c1ccccc1 ZINC000550995582 341328581 /nfs/dbraw/zinc/32/85/81/341328581.db2.gz GOJBNFOFUCFIML-BDTNDASRSA-N 2 1 320.480 4.563 20 0 DJADMP C[N@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[C@@H]1c1ccccc1 ZINC000550995582 341328582 /nfs/dbraw/zinc/32/85/82/341328582.db2.gz GOJBNFOFUCFIML-BDTNDASRSA-N 2 1 320.480 4.563 20 0 DJADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000247933302 341371248 /nfs/dbraw/zinc/37/12/48/341371248.db2.gz CFQWZOKZYCFQBU-JJRVBVJISA-N 2 1 320.527 4.543 20 0 DJADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000247933302 341371249 /nfs/dbraw/zinc/37/12/49/341371249.db2.gz CFQWZOKZYCFQBU-JJRVBVJISA-N 2 1 320.527 4.543 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2F)cc1 ZINC000178151395 341947998 /nfs/dbraw/zinc/94/79/98/341947998.db2.gz YYBHKEKEZIILGS-LSDHHAIUSA-N 2 1 323.415 4.732 20 0 DJADMP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000157322947 522763258 /nfs/dbraw/zinc/76/32/58/522763258.db2.gz FFXQFEJAVPOXPV-BZSNNMDCSA-N 2 1 300.833 4.526 20 0 DJADMP Cc1cc(C)c(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c(C)c1 ZINC000518265781 332003046 /nfs/dbraw/zinc/00/30/46/332003046.db2.gz CFLUCHCQFYVQBR-UHFFFAOYSA-N 2 1 324.512 4.742 20 0 DJADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(C)s1 ZINC000415117602 334283874 /nfs/dbraw/zinc/28/38/74/334283874.db2.gz ITURBYWVZVOWAC-POZUXBRTSA-N 2 1 314.498 4.509 20 0 DJADMP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000342193494 334516170 /nfs/dbraw/zinc/51/61/70/334516170.db2.gz NARFQMHLYIDMMZ-GOSISDBHSA-N 2 1 319.880 4.756 20 0 DJADMP CC(C)(C)[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000324277398 336124530 /nfs/dbraw/zinc/12/45/30/336124530.db2.gz DGQVARDMVYOAQK-UHFFFAOYSA-N 2 1 320.480 4.609 20 0 DJADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000443082464 336398349 /nfs/dbraw/zinc/39/83/49/336398349.db2.gz YLOIWMUOTCNYQF-SJLPKXTDSA-N 2 1 308.535 4.547 20 0 DJADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000443082468 336398402 /nfs/dbraw/zinc/39/84/02/336398402.db2.gz YLOIWMUOTCNYQF-WMZOPIPTSA-N 2 1 308.535 4.547 20 0 DJADMP Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(C)o1 ZINC000119399296 336886965 /nfs/dbraw/zinc/88/69/65/336886965.db2.gz HNGZTGFKIIOHSQ-GJZGRUSLSA-N 2 1 323.440 4.802 20 0 DJADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000461399474 339063131 /nfs/dbraw/zinc/06/31/31/339063131.db2.gz FJYRPASPPZTQSN-UHFFFAOYSA-N 2 1 324.459 4.568 20 0 DJADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(C)(C)CC2)CC1 ZINC000462750406 339086845 /nfs/dbraw/zinc/08/68/45/339086845.db2.gz ZVBLLFREEAOAOK-QGZVFWFLSA-N 2 1 314.517 4.770 20 0 DJADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1csc(Cl)c1 ZINC000468818361 339271679 /nfs/dbraw/zinc/27/16/79/339271679.db2.gz CZZXAIPGUAEOKH-KGLIPLIRSA-N 2 1 314.926 4.707 20 0 DJADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1csc(Cl)c1 ZINC000469062088 339279018 /nfs/dbraw/zinc/27/90/18/339279018.db2.gz SHZDTTBPYLGXGZ-ZIAGYGMSSA-N 2 1 314.926 4.564 20 0 DJADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC[N@@H+]1C ZINC000498928626 340026245 /nfs/dbraw/zinc/02/62/45/340026245.db2.gz KHIDTLMGYMMDCD-ALKREAHSSA-N 2 1 314.473 4.592 20 0 DJADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC[N@H+]1C ZINC000498928626 340026246 /nfs/dbraw/zinc/02/62/46/340026246.db2.gz KHIDTLMGYMMDCD-ALKREAHSSA-N 2 1 314.473 4.592 20 0 DJADMP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)oc1C ZINC000502686365 340110450 /nfs/dbraw/zinc/11/04/50/340110450.db2.gz LZOIDUGZCBVIKW-MRXNPFEDSA-N 2 1 314.473 4.587 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000502904240 340116355 /nfs/dbraw/zinc/11/63/55/340116355.db2.gz NBJUQZSUNUCCKL-HXUWFJFHSA-N 2 1 311.473 4.507 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000502904240 340116356 /nfs/dbraw/zinc/11/63/56/340116356.db2.gz NBJUQZSUNUCCKL-HXUWFJFHSA-N 2 1 311.473 4.507 20 0 DJADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)c1 ZINC000504927542 340156542 /nfs/dbraw/zinc/15/65/42/340156542.db2.gz QLNCCOCZDJZQQB-LAUBAEHRSA-N 2 1 322.496 4.785 20 0 DJADMP CCCC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000302795965 340282148 /nfs/dbraw/zinc/28/21/48/340282148.db2.gz JIVWMLJRAITZLG-UHFFFAOYSA-N 2 1 314.517 4.600 20 0 DJADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510732368 340308447 /nfs/dbraw/zinc/30/84/47/340308447.db2.gz HXIJVEHMPXVOBQ-FXAWDEMLSA-N 2 1 320.496 4.535 20 0 DJADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000511009017 340318067 /nfs/dbraw/zinc/31/80/67/340318067.db2.gz BMJATYRAESUWNW-QGZVFWFLSA-N 2 1 319.452 4.599 20 0 DJADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000512266085 340354715 /nfs/dbraw/zinc/35/47/15/340354715.db2.gz CZUUBVFBVXAGFL-NRFANRHFSA-N 2 1 314.517 4.508 20 0 DJADMP CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512314232 340356513 /nfs/dbraw/zinc/35/65/13/340356513.db2.gz NPPUMGSCUIHVEI-ABSDTBQOSA-N 2 1 314.517 4.553 20 0 DJADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1Cl ZINC000512318023 340356842 /nfs/dbraw/zinc/35/68/42/340356842.db2.gz JAJQNOUZIDHGTC-HRCADAONSA-N 2 1 320.908 4.644 20 0 DJADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1Cl ZINC000512318023 340356843 /nfs/dbraw/zinc/35/68/43/340356843.db2.gz JAJQNOUZIDHGTC-HRCADAONSA-N 2 1 320.908 4.644 20 0 DJADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000512330509 340357456 /nfs/dbraw/zinc/35/74/56/340357456.db2.gz FDKUFTHQBMXXSY-BJLQDIEVSA-N 2 1 314.517 4.607 20 0 DJADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512331825 340357506 /nfs/dbraw/zinc/35/75/06/340357506.db2.gz LCGFSGDNTVDRAV-GBESFXJTSA-N 2 1 314.517 4.607 20 0 DJADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c(C)o1 ZINC000513053614 340390933 /nfs/dbraw/zinc/39/09/33/340390933.db2.gz XAQKZXOHBMPSEY-DKICVRJWSA-N 2 1 318.505 4.590 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544565669 341085814 /nfs/dbraw/zinc/08/58/14/341085814.db2.gz NWENNZQHZZGSLW-ZOBUZTSGSA-N 2 1 314.498 4.548 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544565669 341085815 /nfs/dbraw/zinc/08/58/15/341085815.db2.gz NWENNZQHZZGSLW-ZOBUZTSGSA-N 2 1 314.498 4.548 20 0 DJADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000091728016 341427937 /nfs/dbraw/zinc/42/79/37/341427937.db2.gz RNPBGLKCIDXXRM-GOSISDBHSA-N 2 1 317.502 4.554 20 0 DJADMP CC(C)(C)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000261889968 341509098 /nfs/dbraw/zinc/50/90/98/341509098.db2.gz NNRPULIKKOZDJO-CEXWTWQISA-N 2 1 312.432 4.647 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000178175971 341948828 /nfs/dbraw/zinc/94/88/28/341948828.db2.gz CPUDLZCCJBUUOD-KGLIPLIRSA-N 2 1 311.454 4.654 20 0 DJADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000563842789 335047374 /nfs/dbraw/zinc/04/73/74/335047374.db2.gz QBVMRZVTFQGMJY-OAHLLOKOSA-N 2 1 319.880 4.572 20 0 DJADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000563842789 335047375 /nfs/dbraw/zinc/04/73/75/335047375.db2.gz QBVMRZVTFQGMJY-OAHLLOKOSA-N 2 1 319.880 4.572 20 0 DJADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccsc1Cl ZINC000312626133 331689701 /nfs/dbraw/zinc/68/97/01/331689701.db2.gz OBMVKHBPJAQUFS-UHFFFAOYSA-N 2 1 322.905 4.533 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000378906257 333062309 /nfs/dbraw/zinc/06/23/09/333062309.db2.gz FKTIRYKYHHXCBQ-WTOYTKOKSA-N 2 1 320.480 4.631 20 0 DJADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(Cl)sc1Cl ZINC000453395281 334265284 /nfs/dbraw/zinc/26/52/84/334265284.db2.gz HNWJVLRSWYBGEW-SNVBAGLBSA-N 2 1 321.317 4.580 20 0 DJADMP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000534495575 334277560 /nfs/dbraw/zinc/27/75/60/334277560.db2.gz DOKAUZGAIKCUGF-IRXDYDNUSA-N 2 1 320.546 4.570 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(Cl)s1 ZINC000415113219 334282216 /nfs/dbraw/zinc/28/22/16/334282216.db2.gz DTODYRWGOXQKMA-QEJZJMRPSA-N 2 1 320.889 4.545 20 0 DJADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000341586791 334458945 /nfs/dbraw/zinc/45/89/45/334458945.db2.gz CNGSPJSDNLXEBV-IBGZPJMESA-N 2 1 313.489 4.739 20 0 DJADMP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)Sc2sccc21)[NH+]1CCCCC1 ZINC000346864467 335442224 /nfs/dbraw/zinc/44/22/24/335442224.db2.gz MWFIJLMCUXZDDW-LZWOXQAQSA-N 2 1 324.559 4.528 20 0 DJADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000353050725 336391616 /nfs/dbraw/zinc/39/16/16/336391616.db2.gz VSTFMAWBUDTEFI-QFIPXVFZSA-N 2 1 322.496 4.694 20 0 DJADMP CCSc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422714679 337683887 /nfs/dbraw/zinc/68/38/87/337683887.db2.gz LHXDBQDTBPIGLL-BKTGTZMESA-N 2 1 312.482 4.594 20 0 DJADMP CC(C)C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000422935815 337692367 /nfs/dbraw/zinc/69/23/67/337692367.db2.gz DVYFWFGTEYZPBB-IKGGRYGDSA-N 2 1 300.471 4.570 20 0 DJADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cc2ccccc2s1 ZINC000423055123 337697309 /nfs/dbraw/zinc/69/73/09/337697309.db2.gz CSRNKQQJBABCGT-VUCTXSBTSA-N 2 1 308.450 4.697 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459577899 339036884 /nfs/dbraw/zinc/03/68/84/339036884.db2.gz MGDRIYCKEVLYJW-HXUWFJFHSA-N 2 1 323.484 4.589 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459577899 339036885 /nfs/dbraw/zinc/03/68/85/339036885.db2.gz MGDRIYCKEVLYJW-HXUWFJFHSA-N 2 1 323.484 4.589 20 0 DJADMP CC[C@@H](C)[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000462122098 339072582 /nfs/dbraw/zinc/07/25/82/339072582.db2.gz RJQWGZJQSZLEFD-RDTXWAMCSA-N 2 1 308.897 4.501 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000462729527 339085230 /nfs/dbraw/zinc/08/52/30/339085230.db2.gz RDABCYWCWLAJFW-VXIBKDFQSA-N 2 1 320.546 4.689 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000462729527 339085231 /nfs/dbraw/zinc/08/52/31/339085231.db2.gz RDABCYWCWLAJFW-VXIBKDFQSA-N 2 1 320.546 4.689 20 0 DJADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000462748027 339086602 /nfs/dbraw/zinc/08/66/02/339086602.db2.gz GDFOJEPKGDILHD-DBXWQHBBSA-N 2 1 314.517 4.770 20 0 DJADMP CCc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2C)C(C)C)cc1 ZINC000503074729 340120338 /nfs/dbraw/zinc/12/03/38/340120338.db2.gz RCVLABZYPYCNOK-FQEVSTJZSA-N 2 1 313.489 4.521 20 0 DJADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000303454836 340326407 /nfs/dbraw/zinc/32/64/07/340326407.db2.gz DNUFSWOADZNLNW-JOCHJYFZSA-N 2 1 322.496 4.700 20 0 DJADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc2occc2c1 ZINC000512097781 340348481 /nfs/dbraw/zinc/34/84/81/340348481.db2.gz FVCTYVHBIVKRGA-UHFFFAOYSA-N 2 1 322.452 4.563 20 0 DJADMP CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000512316178 340356507 /nfs/dbraw/zinc/35/65/07/340356507.db2.gz WZMUMKGOVFYJJM-HRCADAONSA-N 2 1 320.546 4.614 20 0 DJADMP CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000512316180 340356660 /nfs/dbraw/zinc/35/66/60/340356660.db2.gz WZMUMKGOVFYJJM-OWCLPIDISA-N 2 1 320.546 4.614 20 0 DJADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512318025 340356764 /nfs/dbraw/zinc/35/67/64/340356764.db2.gz JAJQNOUZIDHGTC-OWCLPIDISA-N 2 1 320.908 4.644 20 0 DJADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512318025 340356765 /nfs/dbraw/zinc/35/67/65/340356765.db2.gz JAJQNOUZIDHGTC-OWCLPIDISA-N 2 1 320.908 4.644 20 0 DJADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1Cl ZINC000512318024 340356812 /nfs/dbraw/zinc/35/68/12/340356812.db2.gz JAJQNOUZIDHGTC-JYJNAYRXSA-N 2 1 320.908 4.644 20 0 DJADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1Cl ZINC000512318024 340356813 /nfs/dbraw/zinc/35/68/13/340356813.db2.gz JAJQNOUZIDHGTC-JYJNAYRXSA-N 2 1 320.908 4.644 20 0 DJADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326902 340357338 /nfs/dbraw/zinc/35/73/38/340357338.db2.gz BDLGFNAGLURIRR-CUWPLCDZSA-N 2 1 314.517 4.689 20 0 DJADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1F ZINC000512331616 340357429 /nfs/dbraw/zinc/35/74/29/340357429.db2.gz ZEQAIGKKDFSNCX-YRNRMSPPSA-N 2 1 318.480 4.519 20 0 DJADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1F ZINC000512331616 340357430 /nfs/dbraw/zinc/35/74/30/340357430.db2.gz ZEQAIGKKDFSNCX-YRNRMSPPSA-N 2 1 318.480 4.519 20 0 DJADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c(C)o1 ZINC000513053617 340391078 /nfs/dbraw/zinc/39/10/78/340391078.db2.gz XAQKZXOHBMPSEY-UVFQYZLESA-N 2 1 318.505 4.590 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544565662 341085833 /nfs/dbraw/zinc/08/58/33/341085833.db2.gz NWENNZQHZZGSLW-HLLBOEOZSA-N 2 1 314.498 4.548 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544565662 341085834 /nfs/dbraw/zinc/08/58/34/341085834.db2.gz NWENNZQHZZGSLW-HLLBOEOZSA-N 2 1 314.498 4.548 20 0 DJADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550665082 341320783 /nfs/dbraw/zinc/32/07/83/341320783.db2.gz DLPXGFYQJBIVGL-QIJUGHKUSA-N 2 1 322.496 4.524 20 0 DJADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550665082 341320784 /nfs/dbraw/zinc/32/07/84/341320784.db2.gz DLPXGFYQJBIVGL-QIJUGHKUSA-N 2 1 322.496 4.524 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2F)cc1 ZINC000178151381 341947907 /nfs/dbraw/zinc/94/79/07/341947907.db2.gz YYBHKEKEZIILGS-HUUCEWRRSA-N 2 1 323.415 4.732 20 0 DJADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)oc2c1 ZINC000426038571 335042905 /nfs/dbraw/zinc/04/29/05/335042905.db2.gz YWGIHUVCTLMXIH-IAGOWNOFSA-N 2 1 314.473 4.512 20 0 DJADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)oc2c1 ZINC000426038571 335042906 /nfs/dbraw/zinc/04/29/06/335042906.db2.gz YWGIHUVCTLMXIH-IAGOWNOFSA-N 2 1 314.473 4.512 20 0 DJADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccsc2Cl)cc1 ZINC000312616126 331686994 /nfs/dbraw/zinc/68/69/94/331686994.db2.gz DOOKHXZYTGNNKT-UHFFFAOYSA-N 2 1 322.905 4.533 20 0 DJADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000391774418 335095167 /nfs/dbraw/zinc/09/51/67/335095167.db2.gz ASDBZSMFCIFWCP-UHFFFAOYSA-N 2 1 322.496 4.706 20 0 DJADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000261827922 332448918 /nfs/dbraw/zinc/44/89/18/332448918.db2.gz HUVSVEFODFRUKS-JECHBYEQSA-N 2 1 320.358 4.501 20 0 DJADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(Cl)sc1Cl ZINC000453395280 334265099 /nfs/dbraw/zinc/26/50/99/334265099.db2.gz HNWJVLRSWYBGEW-JTQLQIEISA-N 2 1 321.317 4.580 20 0 DJADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(C)s1 ZINC000415117608 334283964 /nfs/dbraw/zinc/28/39/64/334283964.db2.gz ITURBYWVZVOWAC-UCLAIMLFSA-N 2 1 314.498 4.509 20 0 DJADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)cs3)C2)n1 ZINC000352337310 336213039 /nfs/dbraw/zinc/21/30/39/336213039.db2.gz GHODPJVCLGYYPX-MRXNPFEDSA-N 2 1 323.465 4.518 20 0 DJADMP c1cc2[nH+]ccc(NCc3ccccc3C[NH+]3CCCC3)c2s1 ZINC000361150583 336741277 /nfs/dbraw/zinc/74/12/77/336741277.db2.gz QITVGVJNPWMLCO-UHFFFAOYSA-N 2 1 323.465 4.504 20 0 DJADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1C(F)(F)F ZINC000422918712 337691365 /nfs/dbraw/zinc/69/13/65/337691365.db2.gz IKZMJIMRPNGWLU-MZPVMMEZSA-N 2 1 320.358 4.501 20 0 DJADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)CC2 ZINC000423062363 337697890 /nfs/dbraw/zinc/69/78/90/337697890.db2.gz MUOUGMOZKLXJDG-NJYVYQBISA-N 2 1 306.453 4.532 20 0 DJADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCC(C)(C)CC2)CC1 ZINC000462685232 339084057 /nfs/dbraw/zinc/08/40/57/339084057.db2.gz PGRPAYXEAIDKQA-UHFFFAOYSA-N 2 1 314.517 4.518 20 0 DJADMP CCC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000462728320 339085110 /nfs/dbraw/zinc/08/51/10/339085110.db2.gz SEMWYSNBWIODAD-FLAMNCDFSA-N 2 1 320.546 4.689 20 0 DJADMP CCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000462728320 339085111 /nfs/dbraw/zinc/08/51/11/339085111.db2.gz SEMWYSNBWIODAD-FLAMNCDFSA-N 2 1 320.546 4.689 20 0 DJADMP CC1(C)CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000462776239 339087991 /nfs/dbraw/zinc/08/79/91/339087991.db2.gz RKTSMRPFCDIHLR-INIZCTEOSA-N 2 1 320.546 4.519 20 0 DJADMP CC1(C)CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000462776239 339087992 /nfs/dbraw/zinc/08/79/92/339087992.db2.gz RKTSMRPFCDIHLR-INIZCTEOSA-N 2 1 320.546 4.519 20 0 DJADMP CCC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000462777699 339088083 /nfs/dbraw/zinc/08/80/83/339088083.db2.gz UPBFRUXCPZUTQU-ADKAHSJRSA-N 2 1 320.546 4.519 20 0 DJADMP CCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000462777699 339088084 /nfs/dbraw/zinc/08/80/84/339088084.db2.gz UPBFRUXCPZUTQU-ADKAHSJRSA-N 2 1 320.546 4.519 20 0 DJADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)c3ccccc32)CC1 ZINC000462840552 339093752 /nfs/dbraw/zinc/09/37/52/339093752.db2.gz RUNKBKHQRVXHQM-CQSZACIVSA-N 2 1 316.876 4.628 20 0 DJADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000464772632 339152350 /nfs/dbraw/zinc/15/23/50/339152350.db2.gz FIPPBAAYNAQBKK-QZTJIDSGSA-N 2 1 310.485 4.565 20 0 DJADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000464782556 339153553 /nfs/dbraw/zinc/15/35/53/339153553.db2.gz XXLGGWHBLOQPIH-FQEVSTJZSA-N 2 1 322.496 4.517 20 0 DJADMP CCc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000469769867 339298442 /nfs/dbraw/zinc/29/84/42/339298442.db2.gz RCMXMXNALXCVSV-MRXNPFEDSA-N 2 1 319.452 4.594 20 0 DJADMP CC(C)c1nc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000469776058 339298928 /nfs/dbraw/zinc/29/89/28/339298928.db2.gz PGEAJVLPPZGQKK-CVEARBPZSA-N 2 1 323.550 4.572 20 0 DJADMP CCCC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)c1ccccc1 ZINC000502719940 340112018 /nfs/dbraw/zinc/11/20/18/340112018.db2.gz DEHKDYMEWYZANU-GOSISDBHSA-N 2 1 313.489 4.835 20 0 DJADMP CCCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)c1ccccc1 ZINC000502719940 340112019 /nfs/dbraw/zinc/11/20/19/340112019.db2.gz DEHKDYMEWYZANU-GOSISDBHSA-N 2 1 313.489 4.835 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000502904234 340116245 /nfs/dbraw/zinc/11/62/45/340116245.db2.gz NBJUQZSUNUCCKL-FQEVSTJZSA-N 2 1 311.473 4.507 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000502904234 340116246 /nfs/dbraw/zinc/11/62/46/340116246.db2.gz NBJUQZSUNUCCKL-FQEVSTJZSA-N 2 1 311.473 4.507 20 0 DJADMP CCc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2C)C(C)C)cc1 ZINC000503074730 340120268 /nfs/dbraw/zinc/12/02/68/340120268.db2.gz RCVLABZYPYCNOK-HXUWFJFHSA-N 2 1 313.489 4.521 20 0 DJADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000511031112 340318830 /nfs/dbraw/zinc/31/88/30/340318830.db2.gz MMTXOTYYLIDWNV-KRWDZBQOSA-N 2 1 319.452 4.599 20 0 DJADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(Cl)c1 ZINC000512314125 340356579 /nfs/dbraw/zinc/35/65/79/340356579.db2.gz MKNUNNKMWLOWTQ-ZOBUZTSGSA-N 2 1 320.908 4.644 20 0 DJADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000512330470 340357364 /nfs/dbraw/zinc/35/73/64/340357364.db2.gz DSBFOJPYXDMQFU-GBESFXJTSA-N 2 1 314.517 4.607 20 0 DJADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1F ZINC000512331613 340357375 /nfs/dbraw/zinc/35/73/75/340357375.db2.gz ZEQAIGKKDFSNCX-FTRWYGJKSA-N 2 1 318.480 4.519 20 0 DJADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1F ZINC000512331613 340357376 /nfs/dbraw/zinc/35/73/76/340357376.db2.gz ZEQAIGKKDFSNCX-FTRWYGJKSA-N 2 1 318.480 4.519 20 0 DJADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512331824 340357422 /nfs/dbraw/zinc/35/74/22/340357422.db2.gz LCGFSGDNTVDRAV-FHWLQOOXSA-N 2 1 314.517 4.607 20 0 DJADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c(C)o1 ZINC000513051200 340390918 /nfs/dbraw/zinc/39/09/18/340390918.db2.gz JZRQGJBCWHIXPF-ALKREAHSSA-N 2 1 318.505 4.590 20 0 DJADMP C[N@@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)C[C@@H]1c1ccccc1 ZINC000550795874 341323121 /nfs/dbraw/zinc/32/31/21/341323121.db2.gz MEMNIDDLEYQMKY-LEWJYISDSA-N 2 1 312.501 4.692 20 0 DJADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)C[C@@H]1c1ccccc1 ZINC000550795874 341323122 /nfs/dbraw/zinc/32/31/22/341323122.db2.gz MEMNIDDLEYQMKY-LEWJYISDSA-N 2 1 312.501 4.692 20 0 DJADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000247933297 341371274 /nfs/dbraw/zinc/37/12/74/341371274.db2.gz CFQWZOKZYCFQBU-GRDNDAEWSA-N 2 1 320.527 4.543 20 0 DJADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccsc1 ZINC000247933297 341371275 /nfs/dbraw/zinc/37/12/75/341371275.db2.gz CFQWZOKZYCFQBU-GRDNDAEWSA-N 2 1 320.527 4.543 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)cc1 ZINC000156856095 341627506 /nfs/dbraw/zinc/62/75/06/341627506.db2.gz QEASUSITZIBEEV-CABCVRRESA-N 2 1 323.415 4.732 20 0 DJADMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559766902 332280225 /nfs/dbraw/zinc/28/02/25/332280225.db2.gz OOGCHBNSZKCZLW-COPCDDAFSA-N 2 1 322.496 4.524 20 0 DJADMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559766902 332280227 /nfs/dbraw/zinc/28/02/27/332280227.db2.gz OOGCHBNSZKCZLW-COPCDDAFSA-N 2 1 322.496 4.524 20 0 DJADMP CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000534495574 334277446 /nfs/dbraw/zinc/27/74/46/334277446.db2.gz DOKAUZGAIKCUGF-IAGOWNOFSA-N 2 1 320.546 4.570 20 0 DJADMP Cc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000531967521 334326040 /nfs/dbraw/zinc/32/60/40/334326040.db2.gz UDNULYBRZXOZRA-RBUKOAKNSA-N 2 1 322.496 4.871 20 0 DJADMP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000531967522 334326225 /nfs/dbraw/zinc/32/62/25/334326225.db2.gz UDNULYBRZXOZRA-RTBURBONSA-N 2 1 322.496 4.871 20 0 DJADMP Cc1ccccc1-c1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000583646835 336019073 /nfs/dbraw/zinc/01/90/73/336019073.db2.gz OBEPDCVAUFKSEE-NQIIRXRSSA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000583646835 336019074 /nfs/dbraw/zinc/01/90/74/336019074.db2.gz OBEPDCVAUFKSEE-NQIIRXRSSA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000583646835 336019075 /nfs/dbraw/zinc/01/90/75/336019075.db2.gz OBEPDCVAUFKSEE-NQIIRXRSSA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000583646835 336019076 /nfs/dbraw/zinc/01/90/76/336019076.db2.gz OBEPDCVAUFKSEE-NQIIRXRSSA-N 2 1 322.496 4.577 20 0 DJADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000325050722 336277730 /nfs/dbraw/zinc/27/77/30/336277730.db2.gz PRLAVWBPDHRXCY-QGZVFWFLSA-N 2 1 320.480 4.631 20 0 DJADMP CC(C)CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccoc1 ZINC000353393831 336415125 /nfs/dbraw/zinc/41/51/25/336415125.db2.gz KGGRRKJLSBQXOX-SFHVURJKSA-N 2 1 306.494 4.609 20 0 DJADMP CC(C)(C)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(F)c1 ZINC000422838688 337688652 /nfs/dbraw/zinc/68/86/52/337688652.db2.gz OXVSMYPNPVZUPB-CEXWTWQISA-N 2 1 312.432 4.647 20 0 DJADMP CCC(C)(C)C1CCC([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000462727919 339085086 /nfs/dbraw/zinc/08/50/86/339085086.db2.gz GHRZBGXWPAKOFJ-UHFFFAOYSA-N 2 1 305.510 4.556 20 0 DJADMP CCC1CCC([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000462748996 339086675 /nfs/dbraw/zinc/08/66/75/339086675.db2.gz MJUJFJUUSCEYNZ-ZJRDLVKKSA-N 2 1 314.517 4.770 20 0 DJADMP Cc1cc(C)cc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)c1 ZINC000462763754 339087516 /nfs/dbraw/zinc/08/75/16/339087516.db2.gz PESUWWLKUAMYTG-XMSQKQJNSA-N 2 1 322.496 4.543 20 0 DJADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470961606 339333035 /nfs/dbraw/zinc/33/30/35/339333035.db2.gz TYKRYCVWFDGPOB-IEBWSBKVSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470961606 339333036 /nfs/dbraw/zinc/33/30/36/339333036.db2.gz TYKRYCVWFDGPOB-IEBWSBKVSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470961606 339333037 /nfs/dbraw/zinc/33/30/37/339333037.db2.gz TYKRYCVWFDGPOB-IEBWSBKVSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470961608 339333164 /nfs/dbraw/zinc/33/31/64/339333164.db2.gz TYKRYCVWFDGPOB-PKOBYXMFSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470961608 339333165 /nfs/dbraw/zinc/33/31/65/339333165.db2.gz TYKRYCVWFDGPOB-PKOBYXMFSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470961608 339333166 /nfs/dbraw/zinc/33/31/66/339333166.db2.gz TYKRYCVWFDGPOB-PKOBYXMFSA-N 2 1 322.496 4.565 20 0 DJADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC2=CCCCC2)C3)cc1 ZINC000499160914 340031394 /nfs/dbraw/zinc/03/13/94/340031394.db2.gz JQJMBHDHNOZSPR-KOUNCHBCSA-N 2 1 324.512 4.662 20 0 DJADMP CC[N@@H+](CCCCn1ccnc1C)Cc1ccc2ccccc2c1 ZINC000502708898 340111717 /nfs/dbraw/zinc/11/17/17/340111717.db2.gz ZNFLEBQMCJNFTF-UHFFFAOYSA-N 2 1 321.468 4.647 20 0 DJADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc2ccccc2c1 ZINC000502708898 340111718 /nfs/dbraw/zinc/11/17/18/340111718.db2.gz ZNFLEBQMCJNFTF-UHFFFAOYSA-N 2 1 321.468 4.647 20 0 DJADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc2ccccc2c1 ZINC000502708898 340111719 /nfs/dbraw/zinc/11/17/19/340111719.db2.gz ZNFLEBQMCJNFTF-UHFFFAOYSA-N 2 1 321.468 4.647 20 0 DJADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000502723404 340112333 /nfs/dbraw/zinc/11/23/33/340112333.db2.gz OJYFCWJNVTXDRT-SFHVURJKSA-N 2 1 319.880 4.612 20 0 DJADMP CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512314233 340356611 /nfs/dbraw/zinc/35/66/11/340356611.db2.gz NPPUMGSCUIHVEI-QKLQHJQFSA-N 2 1 314.517 4.553 20 0 DJADMP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000512317714 340356691 /nfs/dbraw/zinc/35/66/91/340356691.db2.gz FRPDMRJUWRIXGV-HLLBOEOZSA-N 2 1 320.546 4.669 20 0 DJADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000512317717 340356769 /nfs/dbraw/zinc/35/67/69/340356769.db2.gz FRPDMRJUWRIXGV-ZOBUZTSGSA-N 2 1 320.546 4.669 20 0 DJADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512330382 340357369 /nfs/dbraw/zinc/35/73/69/340357369.db2.gz UDWYBDBWVKTXIC-UXLLHSPISA-N 2 1 320.908 4.644 20 0 DJADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512331826 340357388 /nfs/dbraw/zinc/35/73/88/340357388.db2.gz LCGFSGDNTVDRAV-QYZOEREBSA-N 2 1 314.517 4.607 20 0 DJADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000512330471 340357498 /nfs/dbraw/zinc/35/74/98/340357498.db2.gz DSBFOJPYXDMQFU-QYZOEREBSA-N 2 1 314.517 4.607 20 0 DJADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(F)c1 ZINC000173915349 340377685 /nfs/dbraw/zinc/37/76/85/340377685.db2.gz JMYZCQORIQESQV-MRXNPFEDSA-N 2 1 314.448 4.517 20 0 DJADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c(C)o1 ZINC000513051203 340391006 /nfs/dbraw/zinc/39/10/06/340391006.db2.gz JZRQGJBCWHIXPF-QOKNQOGYSA-N 2 1 318.505 4.590 20 0 DJADMP Cc1ccccc1-c1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000513052622 340391013 /nfs/dbraw/zinc/39/10/13/340391013.db2.gz UMFUYSPXUUBALF-UHFFFAOYSA-N 2 1 322.496 4.624 20 0 DJADMP C[N@@H+]1CC[C@@H]([NH2+]CCC2=CCCCCC2)C[C@H]1c1ccccc1 ZINC000550795876 341323160 /nfs/dbraw/zinc/32/31/60/341323160.db2.gz MEMNIDDLEYQMKY-RTWAWAEBSA-N 2 1 312.501 4.692 20 0 DJADMP C[N@H+]1CC[C@@H]([NH2+]CCC2=CCCCCC2)C[C@H]1c1ccccc1 ZINC000550795876 341323161 /nfs/dbraw/zinc/32/31/61/341323161.db2.gz MEMNIDDLEYQMKY-RTWAWAEBSA-N 2 1 312.501 4.692 20 0 DJADMP CC1=CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000559906788 332291435 /nfs/dbraw/zinc/29/14/35/332291435.db2.gz CHXKXRFVCCWJKO-HXUWFJFHSA-N 2 1 324.468 4.500 20 0 DJADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000261827937 332448989 /nfs/dbraw/zinc/44/89/89/332448989.db2.gz HUVSVEFODFRUKS-YMRXKLBXSA-N 2 1 320.358 4.501 20 0 DJADMP Cc1ccccc1-c1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000583646836 336019121 /nfs/dbraw/zinc/01/91/21/336019121.db2.gz OBEPDCVAUFKSEE-RXVVDRJESA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000583646836 336019122 /nfs/dbraw/zinc/01/91/22/336019122.db2.gz OBEPDCVAUFKSEE-RXVVDRJESA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000583646836 336019123 /nfs/dbraw/zinc/01/91/23/336019123.db2.gz OBEPDCVAUFKSEE-RXVVDRJESA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000583646836 336019124 /nfs/dbraw/zinc/01/91/24/336019124.db2.gz OBEPDCVAUFKSEE-RXVVDRJESA-N 2 1 322.496 4.577 20 0 DJADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000532482896 336251731 /nfs/dbraw/zinc/25/17/31/336251731.db2.gz FDYRZNKHWJGSRO-HNNXBMFYSA-N 2 1 316.876 4.643 20 0 DJADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000353050724 336391525 /nfs/dbraw/zinc/39/15/25/336391525.db2.gz VSTFMAWBUDTEFI-JOCHJYFZSA-N 2 1 322.496 4.694 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000119128989 336880605 /nfs/dbraw/zinc/88/06/05/336880605.db2.gz FJJRYSOTWZICFN-VFNWGFHPSA-N 2 1 317.436 4.519 20 0 DJADMP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000423086647 337698766 /nfs/dbraw/zinc/69/87/66/337698766.db2.gz NQGRSKIUBZFJHJ-PLACYPQZSA-N 2 1 306.453 4.605 20 0 DJADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000429257119 338075018 /nfs/dbraw/zinc/07/50/18/338075018.db2.gz ZLWKWUHIAGMUDF-OAHLLOKOSA-N 2 1 319.880 4.572 20 0 DJADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000429257119 338075019 /nfs/dbraw/zinc/07/50/19/338075019.db2.gz ZLWKWUHIAGMUDF-OAHLLOKOSA-N 2 1 319.880 4.572 20 0 DJADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000429257117 338075104 /nfs/dbraw/zinc/07/51/04/338075104.db2.gz ZLWKWUHIAGMUDF-HNNXBMFYSA-N 2 1 319.880 4.572 20 0 DJADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000429257117 338075105 /nfs/dbraw/zinc/07/51/05/338075105.db2.gz ZLWKWUHIAGMUDF-HNNXBMFYSA-N 2 1 319.880 4.572 20 0 DJADMP Cc1cc(C)cc(-c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)c1 ZINC000462763748 339087383 /nfs/dbraw/zinc/08/73/83/339087383.db2.gz PESUWWLKUAMYTG-AVRDEDQJSA-N 2 1 322.496 4.543 20 0 DJADMP CC1(C)CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000462776241 339087961 /nfs/dbraw/zinc/08/79/61/339087961.db2.gz RKTSMRPFCDIHLR-MRXNPFEDSA-N 2 1 320.546 4.519 20 0 DJADMP CC1(C)CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000462776241 339087962 /nfs/dbraw/zinc/08/79/62/339087962.db2.gz RKTSMRPFCDIHLR-MRXNPFEDSA-N 2 1 320.546 4.519 20 0 DJADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000462780828 339088160 /nfs/dbraw/zinc/08/81/60/339088160.db2.gz ZNIZSSOCDMXQAB-FGTMMUONSA-N 2 1 320.546 4.519 20 0 DJADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000462780828 339088161 /nfs/dbraw/zinc/08/81/61/339088161.db2.gz ZNIZSSOCDMXQAB-FGTMMUONSA-N 2 1 320.546 4.519 20 0 DJADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000471045993 339335648 /nfs/dbraw/zinc/33/56/48/339335648.db2.gz ALFZLVNVHAZXDF-ZWKOTPCHSA-N 2 1 310.485 4.565 20 0 DJADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000471045993 339335649 /nfs/dbraw/zinc/33/56/49/339335649.db2.gz ALFZLVNVHAZXDF-ZWKOTPCHSA-N 2 1 310.485 4.565 20 0 DJADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000471045993 339335650 /nfs/dbraw/zinc/33/56/50/339335650.db2.gz ALFZLVNVHAZXDF-ZWKOTPCHSA-N 2 1 310.485 4.565 20 0 DJADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000471045992 339335680 /nfs/dbraw/zinc/33/56/80/339335680.db2.gz ALFZLVNVHAZXDF-ROUUACIJSA-N 2 1 310.485 4.565 20 0 DJADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000471045992 339335681 /nfs/dbraw/zinc/33/56/81/339335681.db2.gz ALFZLVNVHAZXDF-ROUUACIJSA-N 2 1 310.485 4.565 20 0 DJADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000471045992 339335682 /nfs/dbraw/zinc/33/56/82/339335682.db2.gz ALFZLVNVHAZXDF-ROUUACIJSA-N 2 1 310.485 4.565 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000502891667 340115959 /nfs/dbraw/zinc/11/59/59/340115959.db2.gz DZYXHWJATAOPND-HXUWFJFHSA-N 2 1 313.489 4.609 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000502891667 340115960 /nfs/dbraw/zinc/11/59/60/340115960.db2.gz DZYXHWJATAOPND-HXUWFJFHSA-N 2 1 313.489 4.609 20 0 DJADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000512326305 340357208 /nfs/dbraw/zinc/35/72/08/340357208.db2.gz ZWDJAEFRBOHJIB-SYNHAJSKSA-N 2 1 318.480 4.519 20 0 DJADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326903 340357215 /nfs/dbraw/zinc/35/72/15/340357215.db2.gz BDLGFNAGLURIRR-DSKINZAPSA-N 2 1 314.517 4.689 20 0 DJADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000512330469 340357383 /nfs/dbraw/zinc/35/73/83/340357383.db2.gz DSBFOJPYXDMQFU-FHWLQOOXSA-N 2 1 314.517 4.607 20 0 DJADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000512330512 340357433 /nfs/dbraw/zinc/35/74/33/340357433.db2.gz FDKUFTHQBMXXSY-NSHGMRRFSA-N 2 1 314.517 4.607 20 0 DJADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c(C)o1 ZINC000513053616 340390947 /nfs/dbraw/zinc/39/09/47/340390947.db2.gz XAQKZXOHBMPSEY-PTSWNOGYSA-N 2 1 318.505 4.590 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544565667 341085817 /nfs/dbraw/zinc/08/58/17/341085817.db2.gz NWENNZQHZZGSLW-VYDXJSESSA-N 2 1 314.498 4.548 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544565667 341085818 /nfs/dbraw/zinc/08/58/18/341085818.db2.gz NWENNZQHZZGSLW-VYDXJSESSA-N 2 1 314.498 4.548 20 0 DJADMP C[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C[C@@H]1c1ccccc1 ZINC000550995583 341328693 /nfs/dbraw/zinc/32/86/93/341328693.db2.gz GOJBNFOFUCFIML-BHDDXSALSA-N 2 1 320.480 4.563 20 0 DJADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C[C@@H]1c1ccccc1 ZINC000550995583 341328694 /nfs/dbraw/zinc/32/86/94/341328694.db2.gz GOJBNFOFUCFIML-BHDDXSALSA-N 2 1 320.480 4.563 20 0 DJADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2ccccc2c1 ZINC000551242598 341335347 /nfs/dbraw/zinc/33/53/47/341335347.db2.gz YSMUOVQYPRRQNO-SFHVURJKSA-N 2 1 310.485 4.584 20 0 DJADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000247057975 341360450 /nfs/dbraw/zinc/36/04/50/341360450.db2.gz NRRZASOXBNCZHO-DLBZAZTESA-N 2 1 312.457 4.505 20 0 DJADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000247057975 341360451 /nfs/dbraw/zinc/36/04/51/341360451.db2.gz NRRZASOXBNCZHO-DLBZAZTESA-N 2 1 312.457 4.505 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2c(C)cccc2C)cc1 ZINC000541027468 518193441 /nfs/dbraw/zinc/19/34/41/518193441.db2.gz YGMUMKGVVDLMAX-KRWDZBQOSA-N 2 1 319.452 4.648 20 0 DJADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000019980138 182173217 /nfs/dbraw/zinc/17/32/17/182173217.db2.gz ZHBMKMFQCZOMEU-GFCCVEGCSA-N 2 1 315.288 4.518 20 0 DJADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC000518274451 332004353 /nfs/dbraw/zinc/00/43/53/332004353.db2.gz GRBNDTYAWRHLDQ-FQEVSTJZSA-N 2 1 322.496 4.564 20 0 DJADMP Cc1nccn1CCC[N@H+](C)[C@@H](c1ccccc1Cl)C(C)C ZINC000536474803 332251129 /nfs/dbraw/zinc/25/11/29/332251129.db2.gz BHVTYPPYGSNUCF-GOSISDBHSA-N 2 1 319.880 4.564 20 0 DJADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](c1ccccc1Cl)C(C)C ZINC000536474803 332251131 /nfs/dbraw/zinc/25/11/31/332251131.db2.gz BHVTYPPYGSNUCF-GOSISDBHSA-N 2 1 319.880 4.564 20 0 DJADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000531101565 332261808 /nfs/dbraw/zinc/26/18/08/332261808.db2.gz MYNYDJJSNOQOGC-HKUYNNGSSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@@H](c1cccc2ccccc21)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000531101565 332261811 /nfs/dbraw/zinc/26/18/11/332261811.db2.gz MYNYDJJSNOQOGC-HKUYNNGSSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@@H](c1cccc2ccccc21)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101565 332261812 /nfs/dbraw/zinc/26/18/12/332261812.db2.gz MYNYDJJSNOQOGC-HKUYNNGSSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(Cl)s1 ZINC000415113214 334282344 /nfs/dbraw/zinc/28/23/44/334282344.db2.gz DTODYRWGOXQKMA-CFVMTHIKSA-N 2 1 320.889 4.545 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000348426846 335586283 /nfs/dbraw/zinc/58/62/83/335586283.db2.gz VIICOTBXLWTJNE-BEFAXECRSA-N 2 1 309.457 4.554 20 0 DJADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)cs3)C2)n1 ZINC000352337309 336212996 /nfs/dbraw/zinc/21/29/96/336212996.db2.gz GHODPJVCLGYYPX-INIZCTEOSA-N 2 1 323.465 4.518 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccsc2)cc1 ZINC000178395777 337164367 /nfs/dbraw/zinc/16/43/67/337164367.db2.gz OFURINNNZKNKFO-ZIAGYGMSSA-N 2 1 311.454 4.654 20 0 DJADMP c1ccc([C@@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C2CCC2)cc1 ZINC000422722428 337684072 /nfs/dbraw/zinc/68/40/72/337684072.db2.gz XUSZGHQXJSBWFN-BHIFYINESA-N 2 1 320.480 4.611 20 0 DJADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2)c2ccccc21 ZINC000423042807 337696890 /nfs/dbraw/zinc/69/68/90/337696890.db2.gz MDFFRKVWFKJIQP-NJYVYQBISA-N 2 1 306.453 4.652 20 0 DJADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449146431 338596915 /nfs/dbraw/zinc/59/69/15/338596915.db2.gz CGOFHXZXSSHWEI-PXNSSMCTSA-N 2 1 312.501 4.524 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000462748029 339086552 /nfs/dbraw/zinc/08/65/52/339086552.db2.gz GDFOJEPKGDILHD-OPYAIIAOSA-N 2 1 314.517 4.770 20 0 DJADMP CC(C)c1nc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000469776065 339298861 /nfs/dbraw/zinc/29/88/61/339298861.db2.gz PGEAJVLPPZGQKK-HZPDHXFCSA-N 2 1 323.550 4.572 20 0 DJADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000470721118 339326088 /nfs/dbraw/zinc/32/60/88/339326088.db2.gz BCRVVNDFLCZCOF-UHFFFAOYSA-N 2 1 324.459 4.568 20 0 DJADMP Cc1[nH+]ccn1CC[N@@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000499048895 340028441 /nfs/dbraw/zinc/02/84/41/340028441.db2.gz UXZJBLPXKIKFQB-MRXNPFEDSA-N 2 1 319.452 4.570 20 0 DJADMP Cc1[nH+]ccn1CC[N@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000499048895 340028442 /nfs/dbraw/zinc/02/84/42/340028442.db2.gz UXZJBLPXKIKFQB-MRXNPFEDSA-N 2 1 319.452 4.570 20 0 DJADMP CC(C)CC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499162415 340031462 /nfs/dbraw/zinc/03/14/62/340031462.db2.gz AZZMYELGXVWFAC-AYWYSENESA-N 2 1 314.517 4.596 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000502689604 340110685 /nfs/dbraw/zinc/11/06/85/340110685.db2.gz MLBIWVVOFFDXDV-FQEVSTJZSA-N 2 1 311.473 4.589 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000502689604 340110686 /nfs/dbraw/zinc/11/06/86/340110686.db2.gz MLBIWVVOFFDXDV-FQEVSTJZSA-N 2 1 311.473 4.589 20 0 DJADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000511009016 340317998 /nfs/dbraw/zinc/31/79/98/340317998.db2.gz BMJATYRAESUWNW-KRWDZBQOSA-N 2 1 319.452 4.599 20 0 DJADMP CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512314234 340356556 /nfs/dbraw/zinc/35/65/56/340356556.db2.gz NPPUMGSCUIHVEI-SQGPQFPESA-N 2 1 314.517 4.553 20 0 DJADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512320451 340356956 /nfs/dbraw/zinc/35/69/56/340356956.db2.gz BIKPSFRUNJAQJP-QYZOEREBSA-N 2 1 314.517 4.607 20 0 DJADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000512330468 340357440 /nfs/dbraw/zinc/35/74/40/340357440.db2.gz DSBFOJPYXDMQFU-CEXWTWQISA-N 2 1 314.517 4.607 20 0 DJADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc2ccccc2c1 ZINC000551242597 341335285 /nfs/dbraw/zinc/33/52/85/341335285.db2.gz YSMUOVQYPRRQNO-GOSISDBHSA-N 2 1 310.485 4.584 20 0 DJADMP CC(C)(C)[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000551816830 341352936 /nfs/dbraw/zinc/35/29/36/341352936.db2.gz LVNSIXOVORNMPT-UHFFFAOYSA-N 2 1 320.908 4.572 20 0 DJADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccoc1 ZINC000247131184 341361231 /nfs/dbraw/zinc/36/12/31/341361231.db2.gz RTJWCGCWPDZABF-IAGOWNOFSA-N 2 1 312.457 4.505 20 0 DJADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccoc1 ZINC000247131184 341361232 /nfs/dbraw/zinc/36/12/32/341361232.db2.gz RTJWCGCWPDZABF-IAGOWNOFSA-N 2 1 312.457 4.505 20 0 DJADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccco1 ZINC000247180543 341361840 /nfs/dbraw/zinc/36/18/40/341361840.db2.gz VDHDMTLHTUKJFT-IAGOWNOFSA-N 2 1 312.457 4.505 20 0 DJADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000227536534 522727478 /nfs/dbraw/zinc/72/74/78/522727478.db2.gz LRVSSIKRDMAPNE-FGTMMUONSA-N 2 1 300.833 4.526 20 0 DJADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)oc2c1 ZINC000426038573 335042810 /nfs/dbraw/zinc/04/28/10/335042810.db2.gz YWGIHUVCTLMXIH-IRXDYDNUSA-N 2 1 314.473 4.512 20 0 DJADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)oc2c1 ZINC000426038573 335042812 /nfs/dbraw/zinc/04/28/12/335042812.db2.gz YWGIHUVCTLMXIH-IRXDYDNUSA-N 2 1 314.473 4.512 20 0 DJADMP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000520949015 332119189 /nfs/dbraw/zinc/11/91/89/332119189.db2.gz OJTGGBRPAVDDRE-XMHGGMMESA-N 2 1 322.496 4.720 20 0 DJADMP Cc1nccn1CCC[N@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000536474813 332251109 /nfs/dbraw/zinc/25/11/09/332251109.db2.gz BHVTYPPYGSNUCF-SFHVURJKSA-N 2 1 319.880 4.564 20 0 DJADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000536474813 332251111 /nfs/dbraw/zinc/25/11/11/332251111.db2.gz BHVTYPPYGSNUCF-SFHVURJKSA-N 2 1 319.880 4.564 20 0 DJADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000537971602 332251879 /nfs/dbraw/zinc/25/18/79/332251879.db2.gz YDJVLGIBBAJMRI-GOSISDBHSA-N 2 1 310.485 4.686 20 0 DJADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000537971603 332251889 /nfs/dbraw/zinc/25/18/89/332251889.db2.gz YDJVLGIBBAJMRI-SFHVURJKSA-N 2 1 310.485 4.686 20 0 DJADMP CC(C)(C)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000261889973 332646587 /nfs/dbraw/zinc/64/65/87/332646587.db2.gz NNRPULIKKOZDJO-IPMKNSEASA-N 2 1 312.432 4.647 20 0 DJADMP Cc1ccccc1-c1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000583646837 336018929 /nfs/dbraw/zinc/01/89/29/336018929.db2.gz OBEPDCVAUFKSEE-WIYYLYMNSA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000583646837 336018931 /nfs/dbraw/zinc/01/89/31/336018931.db2.gz OBEPDCVAUFKSEE-WIYYLYMNSA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000583646837 336018933 /nfs/dbraw/zinc/01/89/33/336018933.db2.gz OBEPDCVAUFKSEE-WIYYLYMNSA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000583646837 336018935 /nfs/dbraw/zinc/01/89/35/336018935.db2.gz OBEPDCVAUFKSEE-WIYYLYMNSA-N 2 1 322.496 4.577 20 0 DJADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)c1ccccc1 ZINC000353045317 336390437 /nfs/dbraw/zinc/39/04/37/336390437.db2.gz GWMZQTMVELYJLZ-OAQYLSRUSA-N 2 1 310.485 4.768 20 0 DJADMP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccccc1 ZINC000359524304 336676065 /nfs/dbraw/zinc/67/60/65/336676065.db2.gz XBDYVMQBJPEGCO-IERDGZPVSA-N 2 1 319.452 4.983 20 0 DJADMP C[NH+](CCCCC[N@H+](C)Cc1cccs1)Cc1cccs1 ZINC000532919859 337305911 /nfs/dbraw/zinc/30/59/11/337305911.db2.gz YOPZOEKBPVXEMW-UHFFFAOYSA-N 2 1 322.543 4.544 20 0 DJADMP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000423067678 337698069 /nfs/dbraw/zinc/69/80/69/337698069.db2.gz HUVSVEFODFRUKS-LQAWEQHXSA-N 2 1 320.358 4.501 20 0 DJADMP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000423086642 337698755 /nfs/dbraw/zinc/69/87/55/337698755.db2.gz NQGRSKIUBZFJHJ-MHTWAQMVSA-N 2 1 306.453 4.605 20 0 DJADMP CCCn1ccnc1CCC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000429235070 338074220 /nfs/dbraw/zinc/07/42/20/338074220.db2.gz IKKLOCMPMBKEJX-OAHLLOKOSA-N 2 1 319.880 4.572 20 0 DJADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000429235070 338074221 /nfs/dbraw/zinc/07/42/21/338074221.db2.gz IKKLOCMPMBKEJX-OAHLLOKOSA-N 2 1 319.880 4.572 20 0 DJADMP CCCCC/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462762171 339087417 /nfs/dbraw/zinc/08/74/17/339087417.db2.gz PLMVDXGRUKSOEM-PAUGXMEZSA-N 2 1 314.517 4.723 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000502688981 340110847 /nfs/dbraw/zinc/11/08/47/340110847.db2.gz DRIXIAPWDDFSNQ-UHFFFAOYSA-N 2 1 313.489 4.520 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000502688981 340110848 /nfs/dbraw/zinc/11/08/48/340110848.db2.gz DRIXIAPWDDFSNQ-UHFFFAOYSA-N 2 1 313.489 4.520 20 0 DJADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510732376 340308439 /nfs/dbraw/zinc/30/84/39/340308439.db2.gz HXIJVEHMPXVOBQ-PXNSSMCTSA-N 2 1 320.496 4.535 20 0 DJADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000512326306 340357300 /nfs/dbraw/zinc/35/73/00/340357300.db2.gz ZWDJAEFRBOHJIB-VPWXQRGCSA-N 2 1 318.480 4.519 20 0 DJADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c(C)o1 ZINC000513053615 340390983 /nfs/dbraw/zinc/39/09/83/340390983.db2.gz XAQKZXOHBMPSEY-IIMJZQEZSA-N 2 1 318.505 4.590 20 0 DJADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccco1 ZINC000125097382 340802354 /nfs/dbraw/zinc/80/23/54/340802354.db2.gz VADUTGGXBFONRU-QGZVFWFLSA-N 2 1 312.457 4.506 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2c(C)cccc2C)cc1 ZINC000541027469 340956929 /nfs/dbraw/zinc/95/69/29/340956929.db2.gz YGMUMKGVVDLMAX-QGZVFWFLSA-N 2 1 319.452 4.648 20 0 DJADMP C[C@@H](CC[NH2+][C@H]1C[C@H](C)Sc2sccc21)[NH+]1CCCCC1 ZINC000544373532 341078966 /nfs/dbraw/zinc/07/89/66/341078966.db2.gz MWFIJLMCUXZDDW-DZKIICNBSA-N 2 1 324.559 4.528 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544565668 341085869 /nfs/dbraw/zinc/08/58/69/341085869.db2.gz NWENNZQHZZGSLW-YQQAZPJKSA-N 2 1 314.498 4.548 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544565668 341085870 /nfs/dbraw/zinc/08/58/70/341085870.db2.gz NWENNZQHZZGSLW-YQQAZPJKSA-N 2 1 314.498 4.548 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C/C=C\c2ccccc2)cc1 ZINC000564299393 341152701 /nfs/dbraw/zinc/15/27/01/341152701.db2.gz KQFCSWCZUYPKKD-SKHCZCESSA-N 2 1 317.436 4.545 20 0 DJADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000261827929 332448972 /nfs/dbraw/zinc/44/89/72/332448972.db2.gz HUVSVEFODFRUKS-MZPVMMEZSA-N 2 1 320.358 4.501 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(Cl)s1 ZINC000415113217 334282233 /nfs/dbraw/zinc/28/22/33/334282233.db2.gz DTODYRWGOXQKMA-NWANDNLSSA-N 2 1 320.889 4.545 20 0 DJADMP Cc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000531967520 334326157 /nfs/dbraw/zinc/32/61/57/334326157.db2.gz UDNULYBRZXOZRA-OALUTQOASA-N 2 1 322.496 4.871 20 0 DJADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccccc1F ZINC000352684574 336230285 /nfs/dbraw/zinc/23/02/85/336230285.db2.gz OWXPUPZBCDEMIE-FQEVSTJZSA-N 2 1 314.448 4.518 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)cc1 ZINC000178395661 337164234 /nfs/dbraw/zinc/16/42/34/337164234.db2.gz OFURINNNZKNKFO-KGLIPLIRSA-N 2 1 311.454 4.654 20 0 DJADMP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422714681 337684017 /nfs/dbraw/zinc/68/40/17/337684017.db2.gz LHXDBQDTBPIGLL-MJXNMMHHSA-N 2 1 312.482 4.594 20 0 DJADMP CC[C@H](C)[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000462122076 339072575 /nfs/dbraw/zinc/07/25/75/339072575.db2.gz RJQWGZJQSZLEFD-KBXCAEBGSA-N 2 1 308.897 4.501 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000462729526 339085184 /nfs/dbraw/zinc/08/51/84/339085184.db2.gz RDABCYWCWLAJFW-VUHPKUFZSA-N 2 1 320.546 4.689 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000462729526 339085185 /nfs/dbraw/zinc/08/51/85/339085185.db2.gz RDABCYWCWLAJFW-VUHPKUFZSA-N 2 1 320.546 4.689 20 0 DJADMP CCC1CCC([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000462748995 339086694 /nfs/dbraw/zinc/08/66/94/339086694.db2.gz MJUJFJUUSCEYNZ-PGYGNJIDSA-N 2 1 314.517 4.770 20 0 DJADMP CCCCC/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462762168 339087461 /nfs/dbraw/zinc/08/74/61/339087461.db2.gz PLMVDXGRUKSOEM-APIVKLOHSA-N 2 1 314.517 4.723 20 0 DJADMP Cc1cc(C)cc(-c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)c1 ZINC000462763750 339087534 /nfs/dbraw/zinc/08/75/34/339087534.db2.gz PESUWWLKUAMYTG-GCJKJVERSA-N 2 1 322.496 4.543 20 0 DJADMP CCC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000462777700 339088018 /nfs/dbraw/zinc/08/80/18/339088018.db2.gz UPBFRUXCPZUTQU-LXPRWKDFSA-N 2 1 320.546 4.519 20 0 DJADMP CCC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000462777700 339088019 /nfs/dbraw/zinc/08/80/19/339088019.db2.gz UPBFRUXCPZUTQU-LXPRWKDFSA-N 2 1 320.546 4.519 20 0 DJADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c3ccccc32)CC1 ZINC000462840551 339093767 /nfs/dbraw/zinc/09/37/67/339093767.db2.gz RUNKBKHQRVXHQM-AWEZNQCLSA-N 2 1 316.876 4.628 20 0 DJADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000499068272 340029033 /nfs/dbraw/zinc/02/90/33/340029033.db2.gz GBQPPRVCJLMFGH-KRWDZBQOSA-N 2 1 319.452 4.552 20 0 DJADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000499068272 340029034 /nfs/dbraw/zinc/02/90/34/340029034.db2.gz GBQPPRVCJLMFGH-KRWDZBQOSA-N 2 1 319.452 4.552 20 0 DJADMP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)oc1C ZINC000502686364 340110465 /nfs/dbraw/zinc/11/04/65/340110465.db2.gz LZOIDUGZCBVIKW-INIZCTEOSA-N 2 1 314.473 4.587 20 0 DJADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000502723403 340112319 /nfs/dbraw/zinc/11/23/19/340112319.db2.gz OJYFCWJNVTXDRT-GOSISDBHSA-N 2 1 319.880 4.612 20 0 DJADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000512266091 340354608 /nfs/dbraw/zinc/35/46/08/340354608.db2.gz CZUUBVFBVXAGFL-OAQYLSRUSA-N 2 1 314.517 4.508 20 0 DJADMP CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000512316179 340356561 /nfs/dbraw/zinc/35/65/61/340356561.db2.gz WZMUMKGOVFYJJM-JYJNAYRXSA-N 2 1 320.546 4.614 20 0 DJADMP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000512317716 340356793 /nfs/dbraw/zinc/35/67/93/340356793.db2.gz FRPDMRJUWRIXGV-YQQAZPJKSA-N 2 1 320.546 4.669 20 0 DJADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512331823 340357411 /nfs/dbraw/zinc/35/74/11/340357411.db2.gz LCGFSGDNTVDRAV-CEXWTWQISA-N 2 1 314.517 4.607 20 0 DJADMP Cc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000512338582 340357964 /nfs/dbraw/zinc/35/79/64/340357964.db2.gz ZEYNKIRVFNFOFT-CEXWTWQISA-N 2 1 314.517 4.607 20 0 DJADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000237408469 340670744 /nfs/dbraw/zinc/67/07/44/340670744.db2.gz APAJFOMFILSKBP-OAHLLOKOSA-N 2 1 320.908 4.788 20 0 DJADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c2ccsc2S1 ZINC000130233280 341007861 /nfs/dbraw/zinc/00/78/61/341007861.db2.gz HUSGSIGPHVEGHE-FZMZJTMJSA-N 2 1 324.559 4.572 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C/C=C\c2ccccc2)cc1 ZINC000564299394 341151426 /nfs/dbraw/zinc/15/14/26/341151426.db2.gz KQFCSWCZUYPKKD-UXHZXRBQSA-N 2 1 317.436 4.545 20 0 DJADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccs1 ZINC000248175057 341374391 /nfs/dbraw/zinc/37/43/91/341374391.db2.gz VLUIUZWOCKTDHB-JJRVBVJISA-N 2 1 320.527 4.543 20 0 DJADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccs1 ZINC000248175057 341374392 /nfs/dbraw/zinc/37/43/92/341374392.db2.gz VLUIUZWOCKTDHB-JJRVBVJISA-N 2 1 320.527 4.543 20 0 DJADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)oc2c1 ZINC000426038570 335042928 /nfs/dbraw/zinc/04/29/28/335042928.db2.gz YWGIHUVCTLMXIH-DLBZAZTESA-N 2 1 314.473 4.512 20 0 DJADMP Cc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)oc2c1 ZINC000426038570 335042929 /nfs/dbraw/zinc/04/29/29/335042929.db2.gz YWGIHUVCTLMXIH-DLBZAZTESA-N 2 1 314.473 4.512 20 0 DJADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000563842776 335047515 /nfs/dbraw/zinc/04/75/15/335047515.db2.gz QBVMRZVTFQGMJY-HNNXBMFYSA-N 2 1 319.880 4.572 20 0 DJADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000563842776 335047517 /nfs/dbraw/zinc/04/75/17/335047517.db2.gz QBVMRZVTFQGMJY-HNNXBMFYSA-N 2 1 319.880 4.572 20 0 DJADMP CC1=CC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000559906787 332291331 /nfs/dbraw/zinc/29/13/31/332291331.db2.gz CHXKXRFVCCWJKO-FQEVSTJZSA-N 2 1 324.468 4.500 20 0 DJADMP CC(C)(C)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000261889972 332646562 /nfs/dbraw/zinc/64/65/62/332646562.db2.gz NNRPULIKKOZDJO-GUDVDZBRSA-N 2 1 312.432 4.647 20 0 DJADMP CC[NH+]1CCC([NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497829810 333297697 /nfs/dbraw/zinc/29/76/97/333297697.db2.gz WHEJOSJABPNEMI-IBGZPJMESA-N 2 1 314.473 4.594 20 0 DJADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(C)s1 ZINC000415117616 334283810 /nfs/dbraw/zinc/28/38/10/334283810.db2.gz ITURBYWVZVOWAC-YJLNNSPDSA-N 2 1 314.498 4.509 20 0 DJADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000341586792 334459100 /nfs/dbraw/zinc/45/91/00/334459100.db2.gz CNGSPJSDNLXEBV-LJQANCHMSA-N 2 1 313.489 4.739 20 0 DJADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000325050721 336277743 /nfs/dbraw/zinc/27/77/43/336277743.db2.gz PRLAVWBPDHRXCY-KRWDZBQOSA-N 2 1 320.480 4.631 20 0 DJADMP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccccc1 ZINC000359524301 336676026 /nfs/dbraw/zinc/67/60/26/336676026.db2.gz XBDYVMQBJPEGCO-HRAATJIYSA-N 2 1 319.452 4.983 20 0 DJADMP CC(C)(C)[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(F)c1 ZINC000422838689 337688659 /nfs/dbraw/zinc/68/86/59/337688659.db2.gz OXVSMYPNPVZUPB-GBESFXJTSA-N 2 1 312.432 4.647 20 0 DJADMP Cc1ccc2cc([C@@H](C)[NH2+]C3CC[NH+](CC(C)C)CC3)oc2c1 ZINC000425911073 338018846 /nfs/dbraw/zinc/01/88/46/338018846.db2.gz ADUUHUFNFYLWGY-MRXNPFEDSA-N 2 1 314.473 4.512 20 0 DJADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436271674 338264826 /nfs/dbraw/zinc/26/48/26/338264826.db2.gz RAQDQUOCKPKHMD-HLAWJBBLSA-N 2 1 314.517 4.567 20 0 DJADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(C)(C)CC2)CC1 ZINC000462750405 339086893 /nfs/dbraw/zinc/08/68/93/339086893.db2.gz ZVBLLFREEAOAOK-KRWDZBQOSA-N 2 1 314.517 4.770 20 0 DJADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000464772631 339152340 /nfs/dbraw/zinc/15/23/40/339152340.db2.gz FIPPBAAYNAQBKK-MSOLQXFVSA-N 2 1 310.485 4.565 20 0 DJADMP CCc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000469769866 339298453 /nfs/dbraw/zinc/29/84/53/339298453.db2.gz RCMXMXNALXCVSV-INIZCTEOSA-N 2 1 319.452 4.594 20 0 DJADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)c1 ZINC000504927541 340156502 /nfs/dbraw/zinc/15/65/02/340156502.db2.gz QLNCCOCZDJZQQB-DYESRHJHSA-N 2 1 322.496 4.785 20 0 DJADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000512326304 340357318 /nfs/dbraw/zinc/35/73/18/340357318.db2.gz ZWDJAEFRBOHJIB-MDYRTPRTSA-N 2 1 318.480 4.519 20 0 DJADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000512330383 340357490 /nfs/dbraw/zinc/35/74/90/340357490.db2.gz UDWYBDBWVKTXIC-YQQAZPJKSA-N 2 1 320.908 4.644 20 0 DJADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000512330510 340357517 /nfs/dbraw/zinc/35/75/17/340357517.db2.gz FDKUFTHQBMXXSY-CMKODMSKSA-N 2 1 314.517 4.607 20 0 DJADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000173915331 340377670 /nfs/dbraw/zinc/37/76/70/340377670.db2.gz JMYZCQORIQESQV-INIZCTEOSA-N 2 1 314.448 4.517 20 0 DJADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000539216366 340876833 /nfs/dbraw/zinc/87/68/33/340876833.db2.gz DYFNSSPZEQHDQX-GOSISDBHSA-N 2 1 319.880 4.612 20 0 DJADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccoc1 ZINC000247026168 341359989 /nfs/dbraw/zinc/35/99/89/341359989.db2.gz LYLCFKUCIPDWES-DLBZAZTESA-N 2 1 312.457 4.505 20 0 DJADMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000227536546 522763120 /nfs/dbraw/zinc/76/31/20/522763120.db2.gz LRVSSIKRDMAPNE-SQNIBIBYSA-N 2 1 300.833 4.526 20 0 DJADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000338009146 527422656 /nfs/dbraw/zinc/42/26/56/527422656.db2.gz IBJMGTPXKSLBRA-SFHVURJKSA-N 2 1 319.880 4.612 20 0 DJADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000019980134 182173272 /nfs/dbraw/zinc/17/32/72/182173272.db2.gz ZHBMKMFQCZOMEU-LBPRGKRZSA-N 2 1 315.288 4.518 20 0 DJADMP CCC(CC)([NH2+]CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000573630632 332258284 /nfs/dbraw/zinc/25/82/84/332258284.db2.gz VQJWZMGMROYJBZ-UHFFFAOYSA-N 2 1 319.880 4.540 20 0 DJADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000531101570 332261892 /nfs/dbraw/zinc/26/18/92/332261892.db2.gz MYNYDJJSNOQOGC-PKOBYXMFSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@@H](c1cccc2ccccc21)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000531101570 332261893 /nfs/dbraw/zinc/26/18/93/332261893.db2.gz MYNYDJJSNOQOGC-PKOBYXMFSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@@H](c1cccc2ccccc21)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101570 332261894 /nfs/dbraw/zinc/26/18/94/332261894.db2.gz MYNYDJJSNOQOGC-PKOBYXMFSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980944 334352832 /nfs/dbraw/zinc/35/28/32/334352832.db2.gz QGTODUQSSSVRRC-RVKKMQEKSA-N 2 1 314.498 4.548 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980944 334352834 /nfs/dbraw/zinc/35/28/34/334352834.db2.gz QGTODUQSSSVRRC-RVKKMQEKSA-N 2 1 314.498 4.548 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980943 334352999 /nfs/dbraw/zinc/35/29/99/334352999.db2.gz QGTODUQSSSVRRC-RLFYNMQTSA-N 2 1 314.498 4.548 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980943 334353000 /nfs/dbraw/zinc/35/30/00/334353000.db2.gz QGTODUQSSSVRRC-RLFYNMQTSA-N 2 1 314.498 4.548 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000348422208 335586056 /nfs/dbraw/zinc/58/60/56/335586056.db2.gz NJUZIOPDMIIWOB-HNNXBMFYSA-N 2 1 309.457 4.554 20 0 DJADMP Cc1ccccc1-c1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000583646834 336018962 /nfs/dbraw/zinc/01/89/62/336018962.db2.gz OBEPDCVAUFKSEE-GHTZIAJQSA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000583646834 336018965 /nfs/dbraw/zinc/01/89/65/336018965.db2.gz OBEPDCVAUFKSEE-GHTZIAJQSA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000583646834 336018967 /nfs/dbraw/zinc/01/89/67/336018967.db2.gz OBEPDCVAUFKSEE-GHTZIAJQSA-N 2 1 322.496 4.577 20 0 DJADMP Cc1ccccc1-c1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000583646834 336018969 /nfs/dbraw/zinc/01/89/69/336018969.db2.gz OBEPDCVAUFKSEE-GHTZIAJQSA-N 2 1 322.496 4.577 20 0 DJADMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000532451690 336249946 /nfs/dbraw/zinc/24/99/46/336249946.db2.gz MEBUMYKAAPNLJS-INIZCTEOSA-N 2 1 320.546 4.570 20 0 DJADMP Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c(C)o1 ZINC000119399155 336886845 /nfs/dbraw/zinc/88/68/45/336886845.db2.gz HNGZTGFKIIOHSQ-LSDHHAIUSA-N 2 1 323.440 4.802 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccsc2)cc1 ZINC000178395766 337164353 /nfs/dbraw/zinc/16/43/53/337164353.db2.gz OFURINNNZKNKFO-KBPBESRZSA-N 2 1 311.454 4.654 20 0 DJADMP CC(C)C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccs1 ZINC000422935816 337692390 /nfs/dbraw/zinc/69/23/90/337692390.db2.gz DVYFWFGTEYZPBB-ULQDDVLXSA-N 2 1 300.471 4.570 20 0 DJADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)CC2 ZINC000423062364 337697892 /nfs/dbraw/zinc/69/78/92/337697892.db2.gz MUOUGMOZKLXJDG-PWRODBHTSA-N 2 1 306.453 4.532 20 0 DJADMP Cc1cc(C)cc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)c1 ZINC000462763752 339087481 /nfs/dbraw/zinc/08/74/81/339087481.db2.gz PESUWWLKUAMYTG-PGRDOPGGSA-N 2 1 322.496 4.543 20 0 DJADMP CCCCC/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000462762170 339087502 /nfs/dbraw/zinc/08/75/02/339087502.db2.gz PLMVDXGRUKSOEM-KIWKJEFJSA-N 2 1 314.517 4.723 20 0 DJADMP CCCCC/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000462762169 339087521 /nfs/dbraw/zinc/08/75/21/339087521.db2.gz PLMVDXGRUKSOEM-GPLMZXIKSA-N 2 1 314.517 4.723 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)c2ccccc21 ZINC000462835547 339093510 /nfs/dbraw/zinc/09/35/10/339093510.db2.gz BWUHNBRMGMHDLB-KKUMJFAQSA-N 2 1 316.876 4.627 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)c2ccccc21 ZINC000462835547 339093511 /nfs/dbraw/zinc/09/35/11/339093511.db2.gz BWUHNBRMGMHDLB-KKUMJFAQSA-N 2 1 316.876 4.627 20 0 DJADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000464772633 339152450 /nfs/dbraw/zinc/15/24/50/339152450.db2.gz FIPPBAAYNAQBKK-ROUUACIJSA-N 2 1 310.485 4.565 20 0 DJADMP CC(C)c1nc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000469776062 339298904 /nfs/dbraw/zinc/29/89/04/339298904.db2.gz PGEAJVLPPZGQKK-HOTGVXAUSA-N 2 1 323.550 4.572 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000502689605 340110782 /nfs/dbraw/zinc/11/07/82/340110782.db2.gz MLBIWVVOFFDXDV-HXUWFJFHSA-N 2 1 311.473 4.589 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000502689605 340110783 /nfs/dbraw/zinc/11/07/83/340110783.db2.gz MLBIWVVOFFDXDV-HXUWFJFHSA-N 2 1 311.473 4.589 20 0 DJADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000303454837 340326428 /nfs/dbraw/zinc/32/64/28/340326428.db2.gz DNUFSWOADZNLNW-QFIPXVFZSA-N 2 1 322.496 4.700 20 0 DJADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(Cl)c1 ZINC000512314121 340356521 /nfs/dbraw/zinc/35/65/21/340356521.db2.gz MKNUNNKMWLOWTQ-YQQAZPJKSA-N 2 1 320.908 4.644 20 0 DJADMP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000512330511 340357352 /nfs/dbraw/zinc/35/73/52/340357352.db2.gz FDKUFTHQBMXXSY-NLWGTHIKSA-N 2 1 314.517 4.607 20 0 DJADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550665080 341320880 /nfs/dbraw/zinc/32/08/80/341320880.db2.gz DLPXGFYQJBIVGL-BVYCBKJFSA-N 2 1 322.496 4.524 20 0 DJADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550665080 341320881 /nfs/dbraw/zinc/32/08/81/341320881.db2.gz DLPXGFYQJBIVGL-BVYCBKJFSA-N 2 1 322.496 4.524 20 0 DJADMP C[N@@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)C[C@H]1c1ccccc1 ZINC000550795877 341323169 /nfs/dbraw/zinc/32/31/69/341323169.db2.gz MEMNIDDLEYQMKY-SFTDATJTSA-N 2 1 312.501 4.692 20 0 DJADMP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCCC2)C[C@H]1c1ccccc1 ZINC000550795877 341323170 /nfs/dbraw/zinc/32/31/70/341323170.db2.gz MEMNIDDLEYQMKY-SFTDATJTSA-N 2 1 312.501 4.692 20 0 DJADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ccoc1 ZINC000247131176 341361252 /nfs/dbraw/zinc/36/12/52/341361252.db2.gz RTJWCGCWPDZABF-DLBZAZTESA-N 2 1 312.457 4.505 20 0 DJADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccoc1 ZINC000247131176 341361253 /nfs/dbraw/zinc/36/12/53/341361253.db2.gz RTJWCGCWPDZABF-DLBZAZTESA-N 2 1 312.457 4.505 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2F)cc1 ZINC000178151365 341948022 /nfs/dbraw/zinc/94/80/22/341948022.db2.gz YYBHKEKEZIILGS-GJZGRUSLSA-N 2 1 323.415 4.732 20 0 DJADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccsc2S1 ZINC000336839662 525263695 /nfs/dbraw/zinc/26/36/95/525263695.db2.gz KVBRIZJDBKUMHT-IUODEOHRSA-N 2 1 324.559 4.526 20 0 DJADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccsc2S1 ZINC000336839661 525435707 /nfs/dbraw/zinc/43/57/07/525435707.db2.gz KVBRIZJDBKUMHT-DOMZBBRYSA-N 2 1 324.559 4.526 20 0 DJADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000518267785 332003141 /nfs/dbraw/zinc/00/31/41/332003141.db2.gz TYFWXDZGJIHVRB-LJQANCHMSA-N 2 1 322.496 4.517 20 0 DJADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+](C(C)(C)C)CC3)oc2c1 ZINC000426061427 335095202 /nfs/dbraw/zinc/09/52/02/335095202.db2.gz UKYQXNLGSZITBH-HNNXBMFYSA-N 2 1 314.473 4.655 20 0 DJADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000531101569 332261764 /nfs/dbraw/zinc/26/17/64/332261764.db2.gz MYNYDJJSNOQOGC-MJGOQNOKSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@H](c1cccc2ccccc21)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000531101569 332261766 /nfs/dbraw/zinc/26/17/66/332261766.db2.gz MYNYDJJSNOQOGC-MJGOQNOKSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@H](c1cccc2ccccc21)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101569 332261768 /nfs/dbraw/zinc/26/17/68/332261768.db2.gz MYNYDJJSNOQOGC-MJGOQNOKSA-N 2 1 322.496 4.565 20 0 DJADMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559766899 332280188 /nfs/dbraw/zinc/28/01/88/332280188.db2.gz OOGCHBNSZKCZLW-BVYCBKJFSA-N 2 1 322.496 4.524 20 0 DJADMP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559766899 332280189 /nfs/dbraw/zinc/28/01/89/332280189.db2.gz OOGCHBNSZKCZLW-BVYCBKJFSA-N 2 1 322.496 4.524 20 0 DJADMP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000561170135 332419194 /nfs/dbraw/zinc/41/91/94/332419194.db2.gz BOHSJCQNCAMWKK-INIZCTEOSA-N 2 1 302.506 4.508 20 0 DJADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000531724058 333544206 /nfs/dbraw/zinc/54/42/06/333544206.db2.gz OZNRECDUQIGIMS-MRXNPFEDSA-N 2 1 313.489 4.620 20 0 DJADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)c1ccccc1 ZINC000353045316 336390532 /nfs/dbraw/zinc/39/05/32/336390532.db2.gz GWMZQTMVELYJLZ-NRFANRHFSA-N 2 1 310.485 4.768 20 0 DJADMP c1cc2[nH+]ccc(NCc3cccc(C[NH+]4CCCC4)c3)c2s1 ZINC000361159332 336741837 /nfs/dbraw/zinc/74/18/37/336741837.db2.gz KQABGYFWRODEAW-UHFFFAOYSA-N 2 1 323.465 4.504 20 0 DJADMP CCCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(OC)cc1 ZINC000422702112 337683526 /nfs/dbraw/zinc/68/35/26/337683526.db2.gz DGHMMDSVGJKPRD-HKBOAZHASA-N 2 1 324.468 4.661 20 0 DJADMP c1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C2CCC2)cc1 ZINC000422722430 337684087 /nfs/dbraw/zinc/68/40/87/337684087.db2.gz XUSZGHQXJSBWFN-FKBYEOEOSA-N 2 1 320.480 4.611 20 0 DJADMP c1ccc([C@@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C2CCC2)cc1 ZINC000422722429 337684127 /nfs/dbraw/zinc/68/41/27/337684127.db2.gz XUSZGHQXJSBWFN-FDFHNCONSA-N 2 1 320.480 4.611 20 0 DJADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c2ccccc21 ZINC000422773026 337685767 /nfs/dbraw/zinc/68/57/67/337685767.db2.gz XUECCHJTJYVLNZ-GUDVDZBRSA-N 2 1 312.844 4.526 20 0 DJADMP CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000429235066 338074287 /nfs/dbraw/zinc/07/42/87/338074287.db2.gz IKKLOCMPMBKEJX-HNNXBMFYSA-N 2 1 319.880 4.572 20 0 DJADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000429235066 338074288 /nfs/dbraw/zinc/07/42/88/338074288.db2.gz IKKLOCMPMBKEJX-HNNXBMFYSA-N 2 1 319.880 4.572 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459577890 339036979 /nfs/dbraw/zinc/03/69/79/339036979.db2.gz MGDRIYCKEVLYJW-FQEVSTJZSA-N 2 1 323.484 4.589 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459577890 339036980 /nfs/dbraw/zinc/03/69/80/339036980.db2.gz MGDRIYCKEVLYJW-FQEVSTJZSA-N 2 1 323.484 4.589 20 0 DJADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000464782557 339153610 /nfs/dbraw/zinc/15/36/10/339153610.db2.gz XXLGGWHBLOQPIH-HXUWFJFHSA-N 2 1 322.496 4.517 20 0 DJADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1csc(Cl)c1 ZINC000469061789 339278952 /nfs/dbraw/zinc/27/89/52/339278952.db2.gz SHZDTTBPYLGXGZ-KGLIPLIRSA-N 2 1 314.926 4.564 20 0 DJADMP CCCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)c1ccccc1 ZINC000502719942 340112054 /nfs/dbraw/zinc/11/20/54/340112054.db2.gz DEHKDYMEWYZANU-SFHVURJKSA-N 2 1 313.489 4.835 20 0 DJADMP CCCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)c1ccccc1 ZINC000502719942 340112055 /nfs/dbraw/zinc/11/20/55/340112055.db2.gz DEHKDYMEWYZANU-SFHVURJKSA-N 2 1 313.489 4.835 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000502891666 340115859 /nfs/dbraw/zinc/11/58/59/340115859.db2.gz DZYXHWJATAOPND-FQEVSTJZSA-N 2 1 313.489 4.609 20 0 DJADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000502891666 340115860 /nfs/dbraw/zinc/11/58/60/340115860.db2.gz DZYXHWJATAOPND-FQEVSTJZSA-N 2 1 313.489 4.609 20 0 DJADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)c1 ZINC000504927543 340156437 /nfs/dbraw/zinc/15/64/37/340156437.db2.gz QLNCCOCZDJZQQB-UTKZUKDTSA-N 2 1 322.496 4.785 20 0 DJADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(-c2ccccc2)c1 ZINC000511031113 340318762 /nfs/dbraw/zinc/31/87/62/340318762.db2.gz MMTXOTYYLIDWNV-QGZVFWFLSA-N 2 1 319.452 4.599 20 0 DJADMP CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000512316181 340356635 /nfs/dbraw/zinc/35/66/35/340356635.db2.gz WZMUMKGOVFYJJM-PMPSAXMXSA-N 2 1 320.546 4.614 20 0 DJADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1F ZINC000512331614 340357482 /nfs/dbraw/zinc/35/74/82/340357482.db2.gz ZEQAIGKKDFSNCX-GUXCAODWSA-N 2 1 318.480 4.519 20 0 DJADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1F ZINC000512331614 340357483 /nfs/dbraw/zinc/35/74/83/340357483.db2.gz ZEQAIGKKDFSNCX-GUXCAODWSA-N 2 1 318.480 4.519 20 0 DJADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1F ZINC000512331615 340357533 /nfs/dbraw/zinc/35/75/33/340357533.db2.gz ZEQAIGKKDFSNCX-QINHECLXSA-N 2 1 318.480 4.519 20 0 DJADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1F ZINC000512331615 340357534 /nfs/dbraw/zinc/35/75/34/340357534.db2.gz ZEQAIGKKDFSNCX-QINHECLXSA-N 2 1 318.480 4.519 20 0 DJADMP CCC1CCC([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000512826397 340379593 /nfs/dbraw/zinc/37/95/93/340379593.db2.gz HOICNSJVHSHRNR-UHFFFAOYSA-N 2 1 314.517 4.518 20 0 DJADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c2ccsc2S1 ZINC000130233488 341007792 /nfs/dbraw/zinc/00/77/92/341007792.db2.gz HUSGSIGPHVEGHE-SMDDNHRTSA-N 2 1 324.559 4.572 20 0 DJADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550665081 341320771 /nfs/dbraw/zinc/32/07/71/341320771.db2.gz DLPXGFYQJBIVGL-COPCDDAFSA-N 2 1 322.496 4.524 20 0 DJADMP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550665081 341320772 /nfs/dbraw/zinc/32/07/72/341320772.db2.gz DLPXGFYQJBIVGL-COPCDDAFSA-N 2 1 322.496 4.524 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000153186780 341528554 /nfs/dbraw/zinc/52/85/54/341528554.db2.gz INHJGUYFUAUPBU-DLBZAZTESA-N 2 1 319.452 4.901 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)cc1 ZINC000156855943 341627572 /nfs/dbraw/zinc/62/75/72/341627572.db2.gz QEASUSITZIBEEV-HUUCEWRRSA-N 2 1 323.415 4.732 20 0 DJADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157302752 522725754 /nfs/dbraw/zinc/72/57/54/522725754.db2.gz LRVSSIKRDMAPNE-OKZBNKHCSA-N 2 1 300.833 4.526 20 0 DJADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000531101567 332261740 /nfs/dbraw/zinc/26/17/40/332261740.db2.gz MYNYDJJSNOQOGC-IEBWSBKVSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@H](c1cccc2ccccc21)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000531101567 332261743 /nfs/dbraw/zinc/26/17/43/332261743.db2.gz MYNYDJJSNOQOGC-IEBWSBKVSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@H](c1cccc2ccccc21)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101567 332261745 /nfs/dbraw/zinc/26/17/45/332261745.db2.gz MYNYDJJSNOQOGC-IEBWSBKVSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000562612892 332609214 /nfs/dbraw/zinc/60/92/14/332609214.db2.gz WDJNEAZDHWNYCR-RBUKOAKNSA-N 2 1 322.496 4.605 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(Cl)s1 ZINC000415113211 334282308 /nfs/dbraw/zinc/28/23/08/334282308.db2.gz DTODYRWGOXQKMA-AEGPPILISA-N 2 1 320.889 4.545 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000119128892 336880650 /nfs/dbraw/zinc/88/06/50/336880650.db2.gz FJJRYSOTWZICFN-YCRPNKLZSA-N 2 1 317.436 4.519 20 0 DJADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)s1 ZINC000422729294 337684308 /nfs/dbraw/zinc/68/43/08/337684308.db2.gz KGMZOZUAUORAPN-MELADBBJSA-N 2 1 306.862 4.587 20 0 DJADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1C(F)(F)F ZINC000422918713 337691407 /nfs/dbraw/zinc/69/14/07/337691407.db2.gz IKZMJIMRPNGWLU-YMRXKLBXSA-N 2 1 320.358 4.501 20 0 DJADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)CC2 ZINC000423062362 337697786 /nfs/dbraw/zinc/69/77/86/337697786.db2.gz MUOUGMOZKLXJDG-NJDAHSKKSA-N 2 1 306.453 4.532 20 0 DJADMP Cc1ccccc1-c1ccccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000449020847 338584314 /nfs/dbraw/zinc/58/43/14/338584314.db2.gz WUUANGJEKVOHLX-UHFFFAOYSA-N 2 1 322.496 4.624 20 0 DJADMP CCCC[NH+]1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000462383270 339077586 /nfs/dbraw/zinc/07/75/86/339077586.db2.gz DJMMMJPATPTTJU-UHFFFAOYSA-N 2 1 317.864 4.565 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000462682180 339084091 /nfs/dbraw/zinc/08/40/91/339084091.db2.gz LYPQYLISIJSIEN-NQIIRXRSSA-N 2 1 314.517 4.518 20 0 DJADMP CCC1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000462728319 339085098 /nfs/dbraw/zinc/08/50/98/339085098.db2.gz SEMWYSNBWIODAD-AFNJWWOFSA-N 2 1 320.546 4.689 20 0 DJADMP CCC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000462728319 339085099 /nfs/dbraw/zinc/08/50/99/339085099.db2.gz SEMWYSNBWIODAD-AFNJWWOFSA-N 2 1 320.546 4.689 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000462780831 339088221 /nfs/dbraw/zinc/08/82/21/339088221.db2.gz ZNIZSSOCDMXQAB-SQNIBIBYSA-N 2 1 320.546 4.519 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000462780831 339088222 /nfs/dbraw/zinc/08/82/22/339088222.db2.gz ZNIZSSOCDMXQAB-SQNIBIBYSA-N 2 1 320.546 4.519 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)c2ccccc21 ZINC000462835549 339093419 /nfs/dbraw/zinc/09/34/19/339093419.db2.gz BWUHNBRMGMHDLB-SOUVJXGZSA-N 2 1 316.876 4.627 20 0 DJADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)c2ccccc21 ZINC000462835549 339093420 /nfs/dbraw/zinc/09/34/20/339093420.db2.gz BWUHNBRMGMHDLB-SOUVJXGZSA-N 2 1 316.876 4.627 20 0 DJADMP CC(C)c1nc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000469776067 339298990 /nfs/dbraw/zinc/29/89/90/339298990.db2.gz PGEAJVLPPZGQKK-JKSUJKDBSA-N 2 1 323.550 4.572 20 0 DJADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000471045990 339335737 /nfs/dbraw/zinc/33/57/37/339335737.db2.gz ALFZLVNVHAZXDF-MSOLQXFVSA-N 2 1 310.485 4.565 20 0 DJADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000471045990 339335738 /nfs/dbraw/zinc/33/57/38/339335738.db2.gz ALFZLVNVHAZXDF-MSOLQXFVSA-N 2 1 310.485 4.565 20 0 DJADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000471045990 339335739 /nfs/dbraw/zinc/33/57/39/339335739.db2.gz ALFZLVNVHAZXDF-MSOLQXFVSA-N 2 1 310.485 4.565 20 0 DJADMP CC(C)C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000480266639 339566140 /nfs/dbraw/zinc/56/61/40/339566140.db2.gz OVDCSMWNLIZVER-IBGZPJMESA-N 2 1 320.908 4.644 20 0 DJADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)c3c2cccc3C)c1 ZINC000504927544 340156523 /nfs/dbraw/zinc/15/65/23/340156523.db2.gz QLNCCOCZDJZQQB-UWJYYQICSA-N 2 1 322.496 4.785 20 0 DJADMP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512320448 340356948 /nfs/dbraw/zinc/35/69/48/340356948.db2.gz BIKPSFRUNJAQJP-CEXWTWQISA-N 2 1 314.517 4.607 20 0 DJADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000512330389 340357416 /nfs/dbraw/zinc/35/74/16/340357416.db2.gz UDWYBDBWVKTXIC-ZOBUZTSGSA-N 2 1 320.908 4.644 20 0 DJADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c(C)o1 ZINC000513051206 340390962 /nfs/dbraw/zinc/39/09/62/340390962.db2.gz JZRQGJBCWHIXPF-URLQWDBASA-N 2 1 318.505 4.590 20 0 DJADMP C[C@H](CC[NH2+][C@H]1C[C@H](C)Sc2sccc21)[NH+]1CCCCC1 ZINC000544373535 341078900 /nfs/dbraw/zinc/07/89/00/341078900.db2.gz MWFIJLMCUXZDDW-YCPHGPKFSA-N 2 1 324.559 4.528 20 0 DJADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccoc1 ZINC000247026183 341360055 /nfs/dbraw/zinc/36/00/55/341360055.db2.gz LYLCFKUCIPDWES-IAGOWNOFSA-N 2 1 312.457 4.505 20 0 DJADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000261907606 341509101 /nfs/dbraw/zinc/50/91/01/341509101.db2.gz PQTBQNNGVIPQBS-JECHBYEQSA-N 2 1 320.358 4.501 20 0 DJADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000338009141 527421821 /nfs/dbraw/zinc/42/18/21/527421821.db2.gz IBJMGTPXKSLBRA-GOSISDBHSA-N 2 1 319.880 4.612 20 0 DJADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)oc2c1 ZINC000426038575 335040579 /nfs/dbraw/zinc/04/05/79/335040579.db2.gz YWGIHUVCTLMXIH-SJORKVTESA-N 2 1 314.473 4.512 20 0 DJADMP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)oc2c1 ZINC000426038575 335040581 /nfs/dbraw/zinc/04/05/81/335040581.db2.gz YWGIHUVCTLMXIH-SJORKVTESA-N 2 1 314.473 4.512 20 0 DJADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000518267782 332003275 /nfs/dbraw/zinc/00/32/75/332003275.db2.gz TYFWXDZGJIHVRB-IBGZPJMESA-N 2 1 322.496 4.517 20 0 DJADMP CC[NH+]1CCC([NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000497829811 333297748 /nfs/dbraw/zinc/29/77/48/333297748.db2.gz WHEJOSJABPNEMI-LJQANCHMSA-N 2 1 314.473 4.594 20 0 DJADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC000531959223 334314799 /nfs/dbraw/zinc/31/47/99/334314799.db2.gz RTHLFPMTLNDEAI-QFIPXVFZSA-N 2 1 322.496 4.769 20 0 DJADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccccc1F ZINC000352684575 336230195 /nfs/dbraw/zinc/23/01/95/336230195.db2.gz OWXPUPZBCDEMIE-HXUWFJFHSA-N 2 1 314.448 4.518 20 0 DJADMP CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000532454799 336248267 /nfs/dbraw/zinc/24/82/67/336248267.db2.gz RIHOENSRVBDPHC-INIZCTEOSA-N 2 1 315.288 4.518 20 0 DJADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000532482897 336251597 /nfs/dbraw/zinc/25/15/97/336251597.db2.gz FDYRZNKHWJGSRO-OAHLLOKOSA-N 2 1 316.876 4.643 20 0 DJADMP CCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000358083357 336610621 /nfs/dbraw/zinc/61/06/21/336610621.db2.gz KWPOOHWQWQCGME-KDOFPFPSSA-N 2 1 319.880 4.612 20 0 DJADMP CC(C)(C)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(F)c1 ZINC000422838690 337688695 /nfs/dbraw/zinc/68/86/95/337688695.db2.gz OXVSMYPNPVZUPB-GUDVDZBRSA-N 2 1 312.432 4.647 20 0 DJADMP CC[C@@H](c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690015 338223469 /nfs/dbraw/zinc/22/34/69/338223469.db2.gz YREYBMCZZKOLAZ-FQEVSTJZSA-N 2 1 323.484 4.550 20 0 DJADMP CC[C@H](c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690017 338223498 /nfs/dbraw/zinc/22/34/98/338223498.db2.gz YREYBMCZZKOLAZ-HXUWFJFHSA-N 2 1 323.484 4.550 20 0 DJADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436271673 338264733 /nfs/dbraw/zinc/26/47/33/338264733.db2.gz RAQDQUOCKPKHMD-GIVPXCGWSA-N 2 1 314.517 4.567 20 0 DJADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC000453131925 338797759 /nfs/dbraw/zinc/79/77/59/338797759.db2.gz MBIHMOXBEPLPKF-GOSISDBHSA-N 2 1 306.519 4.586 20 0 DJADMP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000462122094 339072611 /nfs/dbraw/zinc/07/26/11/339072611.db2.gz RJQWGZJQSZLEFD-KSSFIOAISA-N 2 1 308.897 4.501 20 0 DJADMP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000462682181 339083976 /nfs/dbraw/zinc/08/39/76/339083976.db2.gz LYPQYLISIJSIEN-RXVVDRJESA-N 2 1 314.517 4.518 20 0 DJADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000462682182 339084042 /nfs/dbraw/zinc/08/40/42/339084042.db2.gz LYPQYLISIJSIEN-WIYYLYMNSA-N 2 1 314.517 4.518 20 0 DJADMP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000462682179 339084083 /nfs/dbraw/zinc/08/40/83/339084083.db2.gz LYPQYLISIJSIEN-GHTZIAJQSA-N 2 1 314.517 4.518 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000462729528 339085145 /nfs/dbraw/zinc/08/51/45/339085145.db2.gz RDABCYWCWLAJFW-VXNCWWDNSA-N 2 1 320.546 4.689 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000462729528 339085146 /nfs/dbraw/zinc/08/51/46/339085146.db2.gz RDABCYWCWLAJFW-VXNCWWDNSA-N 2 1 320.546 4.689 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)c2ccccc21 ZINC000462835546 339093396 /nfs/dbraw/zinc/09/33/96/339093396.db2.gz BWUHNBRMGMHDLB-ILXRZTDVSA-N 2 1 316.876 4.627 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)c2ccccc21 ZINC000462835546 339093397 /nfs/dbraw/zinc/09/33/97/339093397.db2.gz BWUHNBRMGMHDLB-ILXRZTDVSA-N 2 1 316.876 4.627 20 0 DJADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000471045991 339335694 /nfs/dbraw/zinc/33/56/94/339335694.db2.gz ALFZLVNVHAZXDF-QZTJIDSGSA-N 2 1 310.485 4.565 20 0 DJADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000471045991 339335695 /nfs/dbraw/zinc/33/56/95/339335695.db2.gz ALFZLVNVHAZXDF-QZTJIDSGSA-N 2 1 310.485 4.565 20 0 DJADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000471045991 339335696 /nfs/dbraw/zinc/33/56/96/339335696.db2.gz ALFZLVNVHAZXDF-QZTJIDSGSA-N 2 1 310.485 4.565 20 0 DJADMP CCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](CC)c1ccccc1 ZINC000502715299 340112014 /nfs/dbraw/zinc/11/20/14/340112014.db2.gz IPQVQMSFRLMERA-FQEVSTJZSA-N 2 1 313.489 4.835 20 0 DJADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](CC)c1ccccc1 ZINC000502715299 340112015 /nfs/dbraw/zinc/11/20/15/340112015.db2.gz IPQVQMSFRLMERA-FQEVSTJZSA-N 2 1 313.489 4.835 20 0 DJADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3occc3c2)c1 ZINC000512046280 340346513 /nfs/dbraw/zinc/34/65/13/340346513.db2.gz SJGKUBPGVARKDM-UHFFFAOYSA-N 2 1 322.452 4.563 20 0 DJADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000512326303 340357226 /nfs/dbraw/zinc/35/72/26/340357226.db2.gz ZWDJAEFRBOHJIB-KNBMTAEXSA-N 2 1 318.480 4.519 20 0 DJADMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326904 340357324 /nfs/dbraw/zinc/35/73/24/340357324.db2.gz BDLGFNAGLURIRR-LMNJBCLMSA-N 2 1 314.517 4.689 20 0 DJADMP Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000512338584 340357987 /nfs/dbraw/zinc/35/79/87/340357987.db2.gz ZEYNKIRVFNFOFT-FHWLQOOXSA-N 2 1 314.517 4.607 20 0 DJADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)s2)CC1 ZINC000543602260 341050706 /nfs/dbraw/zinc/05/07/06/341050706.db2.gz NBHAUAFMTMLVLH-OAHLLOKOSA-N 2 1 314.498 4.550 20 0 DJADMP C[C@@H](CC[NH2+][C@@H]1C[C@H](C)Sc2sccc21)[NH+]1CCCCC1 ZINC000544373534 341078929 /nfs/dbraw/zinc/07/89/29/341078929.db2.gz MWFIJLMCUXZDDW-OFQRWUPVSA-N 2 1 324.559 4.528 20 0 DJADMP C[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C[C@H]1c1ccccc1 ZINC000550995584 341328700 /nfs/dbraw/zinc/32/87/00/341328700.db2.gz GOJBNFOFUCFIML-FDFHNCONSA-N 2 1 320.480 4.563 20 0 DJADMP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C[C@H]1c1ccccc1 ZINC000550995584 341328701 /nfs/dbraw/zinc/32/87/01/341328701.db2.gz GOJBNFOFUCFIML-FDFHNCONSA-N 2 1 320.480 4.563 20 0 DJADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000247057994 341360399 /nfs/dbraw/zinc/36/03/99/341360399.db2.gz NRRZASOXBNCZHO-IAGOWNOFSA-N 2 1 312.457 4.505 20 0 DJADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000247057994 341360400 /nfs/dbraw/zinc/36/04/00/341360400.db2.gz NRRZASOXBNCZHO-IAGOWNOFSA-N 2 1 312.457 4.505 20 0 DJADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2F)cc1 ZINC000178151350 341947975 /nfs/dbraw/zinc/94/79/75/341947975.db2.gz YYBHKEKEZIILGS-CABCVRRESA-N 2 1 323.415 4.732 20 0 DJADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000157322656 522727444 /nfs/dbraw/zinc/72/74/44/522727444.db2.gz FFXQFEJAVPOXPV-OKZBNKHCSA-N 2 1 300.833 4.526 20 0 DJADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000462748031 333107140 /nfs/dbraw/zinc/10/71/40/333107140.db2.gz GDFOJEPKGDILHD-UEXGIBASSA-N 2 1 314.517 4.770 20 0 DJADMP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000534495576 334277581 /nfs/dbraw/zinc/27/75/81/334277581.db2.gz DOKAUZGAIKCUGF-SJORKVTESA-N 2 1 320.546 4.570 20 0 DJADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(C)s1 ZINC000415117596 334283954 /nfs/dbraw/zinc/28/39/54/334283954.db2.gz ITURBYWVZVOWAC-FNHZYXHNSA-N 2 1 314.498 4.509 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980942 334352788 /nfs/dbraw/zinc/35/27/88/334352788.db2.gz QGTODUQSSSVRRC-MPGHIAIKSA-N 2 1 314.498 4.548 20 0 DJADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccs2)cc1 ZINC000531980942 334352789 /nfs/dbraw/zinc/35/27/89/334352789.db2.gz QGTODUQSSSVRRC-MPGHIAIKSA-N 2 1 314.498 4.548 20 0 DJADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccsc1Cl ZINC000480636476 336039579 /nfs/dbraw/zinc/03/95/79/336039579.db2.gz PAQJDKRJZXQWSQ-UHFFFAOYSA-N 2 1 322.905 4.532 20 0 DJADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccsc1Cl ZINC000480636476 336039580 /nfs/dbraw/zinc/03/95/80/336039580.db2.gz PAQJDKRJZXQWSQ-UHFFFAOYSA-N 2 1 322.905 4.532 20 0 DJADMP CCSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000532451701 336250009 /nfs/dbraw/zinc/25/00/09/336250009.db2.gz MEBUMYKAAPNLJS-MRXNPFEDSA-N 2 1 320.546 4.570 20 0 DJADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000443082454 336398466 /nfs/dbraw/zinc/39/84/66/336398466.db2.gz YLOIWMUOTCNYQF-AEFFLSMTSA-N 2 1 308.535 4.547 20 0 DJADMP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000423086646 337698729 /nfs/dbraw/zinc/69/87/29/337698729.db2.gz NQGRSKIUBZFJHJ-NCYKPQTJSA-N 2 1 306.453 4.605 20 0 DJADMP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+](CC(C)C)CC3)oc2c1 ZINC000425911072 338018881 /nfs/dbraw/zinc/01/88/81/338018881.db2.gz ADUUHUFNFYLWGY-INIZCTEOSA-N 2 1 314.473 4.512 20 0 DJADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000453140621 338798774 /nfs/dbraw/zinc/79/87/74/338798774.db2.gz RYBSZWKOFUWQLR-OAHLLOKOSA-N 2 1 306.519 4.504 20 0 DJADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000453140572 338798884 /nfs/dbraw/zinc/79/88/84/338798884.db2.gz RYBSZWKOFUWQLR-HNNXBMFYSA-N 2 1 306.519 4.504 20 0 DJADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000462780830 339088154 /nfs/dbraw/zinc/08/81/54/339088154.db2.gz ZNIZSSOCDMXQAB-KZNAEPCWSA-N 2 1 320.546 4.519 20 0 DJADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000462780830 339088155 /nfs/dbraw/zinc/08/81/55/339088155.db2.gz ZNIZSSOCDMXQAB-KZNAEPCWSA-N 2 1 320.546 4.519 20 0 DJADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1csc(Cl)c1 ZINC000468818306 339271683 /nfs/dbraw/zinc/27/16/83/339271683.db2.gz CZZXAIPGUAEOKH-KBPBESRZSA-N 2 1 314.926 4.707 20 0 DJADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470961605 339333070 /nfs/dbraw/zinc/33/30/70/339333070.db2.gz TYKRYCVWFDGPOB-HKUYNNGSSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470961605 339333071 /nfs/dbraw/zinc/33/30/71/339333071.db2.gz TYKRYCVWFDGPOB-HKUYNNGSSA-N 2 1 322.496 4.565 20 0 DJADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470961605 339333072 /nfs/dbraw/zinc/33/30/72/339333072.db2.gz TYKRYCVWFDGPOB-HKUYNNGSSA-N 2 1 322.496 4.565 20 0 DJADMP CC(C)CC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499162417 340031489 /nfs/dbraw/zinc/03/14/89/340031489.db2.gz AZZMYELGXVWFAC-WJMWBRGCSA-N 2 1 314.517 4.596 20 0 DJADMP CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000512314235 340356543 /nfs/dbraw/zinc/35/65/43/340356543.db2.gz NPPUMGSCUIHVEI-ZWOKBUDYSA-N 2 1 314.517 4.553 20 0 DJADMP C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512314116 340356606 /nfs/dbraw/zinc/35/66/06/340356606.db2.gz MKNUNNKMWLOWTQ-UXLLHSPISA-N 2 1 320.908 4.644 20 0 DJADMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512320449 340356890 /nfs/dbraw/zinc/35/68/90/340356890.db2.gz BIKPSFRUNJAQJP-FHWLQOOXSA-N 2 1 314.517 4.607 20 0 DJADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C)cc1 ZINC000512326905 340357283 /nfs/dbraw/zinc/35/72/83/340357283.db2.gz BDLGFNAGLURIRR-QFUCXCTJSA-N 2 1 314.517 4.689 20 0 DJADMP Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000512338586 340358032 /nfs/dbraw/zinc/35/80/32/340358032.db2.gz ZEYNKIRVFNFOFT-GBESFXJTSA-N 2 1 314.517 4.607 20 0 DJADMP Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000512338587 340358038 /nfs/dbraw/zinc/35/80/38/340358038.db2.gz ZEYNKIRVFNFOFT-QYZOEREBSA-N 2 1 314.517 4.607 20 0 DJADMP CC(C)(C)C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000539497988 340887624 /nfs/dbraw/zinc/88/76/24/340887624.db2.gz BHTAEIRWTZXYIY-LJQANCHMSA-N 2 1 318.480 4.519 20 0 DJADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccs1 ZINC000248175056 341374493 /nfs/dbraw/zinc/37/44/93/341374493.db2.gz VLUIUZWOCKTDHB-GRDNDAEWSA-N 2 1 320.527 4.543 20 0 DJADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccs1 ZINC000248175056 341374494 /nfs/dbraw/zinc/37/44/94/341374494.db2.gz VLUIUZWOCKTDHB-GRDNDAEWSA-N 2 1 320.527 4.543 20 0 DJADMP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157303044 522761290 /nfs/dbraw/zinc/76/12/90/522761290.db2.gz LRVSSIKRDMAPNE-BZSNNMDCSA-N 2 1 300.833 4.526 20 0 DJADMP