smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCCNC(=O)c1cccc2c(N)c3ccccc3[nH+]c12 ZINC000005957572 452911761 /nfs/dbraw/zinc/91/17/61/452911761.db2.gz AMFZHKPIXJORQY-UHFFFAOYSA-N 2 0 336.439 3.042 10 10 in-vitro EGCERP Oc1cccc(Br)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000706833852 1298223025 /nfs/dbraw/zinc/22/30/25/1298223025.db2.gz KAFJQMSOWJEEAJ-OAHLLOKOSA-N 2 0 339.277 3.119 10 10 EGCERP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000185459382 455560112 /nfs/dbraw/zinc/56/01/12/455560112.db2.gz AITBJUMAAJITDA-CYBMUJFWSA-N 2 0 332.419 3.452 10 10 EGCERP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000872251787 1296852818 /nfs/dbraw/zinc/85/28/18/1296852818.db2.gz NBPUIMLKBOUHKB-ZDUSSCGKSA-N 2 0 327.266 3.023 10 10 EGCERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001332557163 1390134844 /nfs/dbraw/zinc/13/48/44/1390134844.db2.gz XTAIPTJEWZTNNJ-NRSPTQNISA-N 2 0 343.515 3.148 10 10 EGCERP COc1ccc(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000180031445 1294854000 /nfs/dbraw/zinc/85/40/00/1294854000.db2.gz DRYQMYZFDSCKTJ-QGZVFWFLSA-N 2 0 332.488 3.489 10 10 EGCERP Oc1ccc(Br)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000725847206 1298375053 /nfs/dbraw/zinc/37/50/53/1298375053.db2.gz VQCOBUZIRRDKML-UHFFFAOYSA-N 2 0 339.277 3.119 10 10 EGCERP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC001118489482 1371188823 /nfs/dbraw/zinc/18/88/23/1371188823.db2.gz MPNHTIBBAKUJBG-ULQDDVLXSA-N 2 0 333.520 3.111 10 10 EGCERP COc1cc(Cl)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1O ZINC000184679267 455427387 /nfs/dbraw/zinc/42/73/87/455427387.db2.gz OXJCKKFYWWCISV-UHFFFAOYSA-N 2 0 338.879 3.362 10 10 EGCERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(N2CCCCCC2)cc1 ZINC000925810998 1325311102 /nfs/dbraw/zinc/31/11/02/1325311102.db2.gz PPEUVPKMSYUSHD-SFHVURJKSA-N 2 0 344.547 3.141 10 10 EGCERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295812161 455860951 /nfs/dbraw/zinc/86/09/51/455860951.db2.gz CTYDQXYGPLSWDI-SFHVURJKSA-N 2 0 326.440 3.110 10 10 EGCERP CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000245708937 455361793 /nfs/dbraw/zinc/36/17/93/455361793.db2.gz CECAYSRYVVMZEW-MAUKXSAKSA-N 2 0 330.472 3.240 10 10 EGCERP CN(C)c1cc(F)c(C[NH2+]C2CCN(c3ccccn3)CC2)cc1F ZINC000858098025 1328682181 /nfs/dbraw/zinc/68/21/81/1328682181.db2.gz FKTLEXBPAFRGON-UHFFFAOYSA-N 2 0 346.425 3.184 10 10 EGCERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Br)cc1O ZINC000925839509 1325323750 /nfs/dbraw/zinc/32/37/50/1325323750.db2.gz CFEMCJCHBOBZKT-HFBAOOFYSA-N 2 0 339.277 3.338 10 10 EGCERP Cc1scc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000865680028 1329728634 /nfs/dbraw/zinc/72/86/34/1329728634.db2.gz NHCIIZZBMYTMRO-UHFFFAOYSA-N 2 0 329.513 3.407 10 10 EGCERP COc1cc(C)cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1O ZINC000894269040 1306313552 /nfs/dbraw/zinc/31/35/52/1306313552.db2.gz KFTKXVGINPMZAJ-UHFFFAOYSA-N 2 0 332.419 3.200 10 10 EGCERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(N2CCCCCC2)cc1 ZINC000925810997 1325311109 /nfs/dbraw/zinc/31/11/09/1325311109.db2.gz PPEUVPKMSYUSHD-GOSISDBHSA-N 2 0 344.547 3.141 10 10 EGCERP COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925886849 1325343155 /nfs/dbraw/zinc/34/31/55/1325343155.db2.gz MEIXHWRLRHBKGZ-DKICVRJWSA-N 2 0 326.440 3.111 10 10 EGCERP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247245294 455578327 /nfs/dbraw/zinc/57/83/27/455578327.db2.gz WYWNARJQEWQEJJ-HNAYVOBHSA-N 2 0 330.472 3.240 10 10 EGCERP Cc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(O)c1 ZINC000185573510 455579884 /nfs/dbraw/zinc/57/98/84/455579884.db2.gz BOUXWQMKJJDMNT-GOSISDBHSA-N 2 0 345.531 3.302 10 10 EGCERP CCCN(c1ccc(C[NH3+])cc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000194978312 455910102 /nfs/dbraw/zinc/91/01/02/455910102.db2.gz TXJAXSOZXMUCQX-UHFFFAOYSA-N 2 0 338.499 3.421 10 10 EGCERP COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)C2)cc1 ZINC000925706285 1325266348 /nfs/dbraw/zinc/26/63/48/1325266348.db2.gz MVUYKXMEWYDHFJ-ZACQAIPSSA-N 2 0 331.504 3.017 10 10 EGCERP COc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](CCC(C)C)CC3)C2)cc1 ZINC000926681399 1327664235 /nfs/dbraw/zinc/66/42/35/1327664235.db2.gz YAGZUNPATNYBIO-IBGZPJMESA-N 2 0 345.531 3.374 10 10 EGCERP COc1ccccc1C[NH2+][C@H](C)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000071825384 454225568 /nfs/dbraw/zinc/22/55/68/454225568.db2.gz RMWPMKINGXTZBO-QGZVFWFLSA-N 2 0 339.483 3.298 10 10 EGCERP COc1ccc(N2CC[C@H]([NH2+][C@H](CCC[NH3+])c3ccccc3)C2)cc1 ZINC000925709947 1325266936 /nfs/dbraw/zinc/26/69/36/1325266936.db2.gz AUYMBENKRSGSML-GHTZIAJQSA-N 2 0 339.483 3.344 10 10 EGCERP CC[C@@H]([NH2+]Cc1cc(N)ccn1)c1cc(Br)ccc1O ZINC000925768486 1325292435 /nfs/dbraw/zinc/29/24/35/1325292435.db2.gz VRDKNCPKIYXVLK-CQSZACIVSA-N 2 0 336.233 3.373 10 10 EGCERP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(Cl)ccc1O ZINC000925842548 1325324801 /nfs/dbraw/zinc/32/48/01/1325324801.db2.gz ACJCPMOBOUOHNZ-KRWDZBQOSA-N 2 0 339.911 3.162 10 10 EGCERP CCN(CC)Cc1nc(C2(NCc3ccccc3O)CCCC2)no1 ZINC000124067272 454697166 /nfs/dbraw/zinc/69/71/66/454697166.db2.gz FJYZUGUECOYJDN-UHFFFAOYSA-N 2 0 344.459 3.176 10 10 EGCERP CC[C@H]([NH2+]Cc1cc(N)ccn1)c1cc(Br)ccc1O ZINC000925768485 1325292507 /nfs/dbraw/zinc/29/25/07/1325292507.db2.gz VRDKNCPKIYXVLK-AWEZNQCLSA-N 2 0 336.233 3.373 10 10 EGCERP CC[NH+]1CCC(CC[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000121724486 454469619 /nfs/dbraw/zinc/46/96/19/454469619.db2.gz UBDHDARREFCDIW-UHFFFAOYSA-N 2 0 345.531 3.376 10 10 EGCERP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1O ZINC000156064903 455078013 /nfs/dbraw/zinc/07/80/13/455078013.db2.gz FXXZQTSAARGFLD-IBGZPJMESA-N 2 0 345.531 3.383 10 10 EGCERP CC[NH+](CC)CC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000738070425 574634722 /nfs/dbraw/zinc/63/47/22/574634722.db2.gz GUUDORHTYFFSQI-UHFFFAOYSA-N 2 0 327.472 3.494 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC4(CCC4)O3)cc2)CC1 ZINC000922804972 1322622227 /nfs/dbraw/zinc/62/22/27/1322622227.db2.gz HTPUZNULETYVBF-FQEVSTJZSA-N 2 0 343.515 3.020 10 10 EGCERP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)ccc1O ZINC000925800176 1325308057 /nfs/dbraw/zinc/30/80/57/1325308057.db2.gz WHARAUKTNFHORA-IJLUTSLNSA-N 2 0 327.266 3.051 10 10 EGCERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc2ccccc2c1O ZINC000925844052 1325325194 /nfs/dbraw/zinc/32/51/94/1325325194.db2.gz IXYGADWDUBNFEO-KRWDZBQOSA-N 2 0 341.499 3.272 10 10 EGCERP CCN(CC)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000179517731 455053689 /nfs/dbraw/zinc/05/36/89/455053689.db2.gz SPLFCJFOYUVRDZ-SFHVURJKSA-N 2 0 347.547 3.057 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000922949207 1322657676 /nfs/dbraw/zinc/65/76/76/1322657676.db2.gz SOHLEECZNBFFLC-SFHVURJKSA-N 2 0 345.531 3.122 10 10 EGCERP COc1ccc(N2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923323254 1322733859 /nfs/dbraw/zinc/73/38/59/1322733859.db2.gz WESMHYXVLOFIMG-YQQQUEKLSA-N 2 0 343.515 3.128 10 10 EGCERP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC001118489481 1371188694 /nfs/dbraw/zinc/18/86/94/1371188694.db2.gz MPNHTIBBAKUJBG-IXDOHACOSA-N 2 0 333.520 3.111 10 10 EGCERP Oc1ccc(Br)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000236614575 1296192122 /nfs/dbraw/zinc/19/21/22/1296192122.db2.gz IBOUTCJWBWJGCK-GFCCVEGCSA-N 2 0 339.277 3.119 10 10 EGCERP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CC2)cc1 ZINC000858121938 1328688855 /nfs/dbraw/zinc/68/88/55/1328688855.db2.gz CUZGHWGULXGXQO-QGZVFWFLSA-N 2 0 331.504 3.126 10 10 EGCERP Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000925803751 1325307545 /nfs/dbraw/zinc/30/75/45/1325307545.db2.gz UMMXPPLNPNACEF-JHJVBQTASA-N 2 0 341.293 3.359 10 10 EGCERP Oc1ccc(Br)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000236614664 1296191877 /nfs/dbraw/zinc/19/18/77/1296191877.db2.gz IBOUTCJWBWJGCK-LBPRGKRZSA-N 2 0 339.277 3.119 10 10 EGCERP CCC[NH+]1CCC(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858127614 1328689256 /nfs/dbraw/zinc/68/92/56/1328689256.db2.gz KPYJBIYNENGDEA-UHFFFAOYSA-N 2 0 341.293 3.366 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCC4(CCC4)O3)cc2)CC1 ZINC000922804973 1322621871 /nfs/dbraw/zinc/62/18/71/1322621871.db2.gz HTPUZNULETYVBF-HXUWFJFHSA-N 2 0 343.515 3.020 10 10 EGCERP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)ccc1O ZINC000925800175 1325307515 /nfs/dbraw/zinc/30/75/15/1325307515.db2.gz WHARAUKTNFHORA-GRYCIOLGSA-N 2 0 327.266 3.051 10 10 EGCERP CC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1O ZINC000156065022 455078025 /nfs/dbraw/zinc/07/80/25/455078025.db2.gz FXXZQTSAARGFLD-LJQANCHMSA-N 2 0 345.531 3.383 10 10 EGCERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000185573637 455580529 /nfs/dbraw/zinc/58/05/29/455580529.db2.gz RXXUINQOJJGOGO-MRXNPFEDSA-N 2 0 349.494 3.132 10 10 EGCERP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)C2)cc1 ZINC000925706283 1325265650 /nfs/dbraw/zinc/26/56/50/1325265650.db2.gz MVUYKXMEWYDHFJ-IXDOHACOSA-N 2 0 331.504 3.017 10 10 EGCERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1O ZINC000925779995 1325298309 /nfs/dbraw/zinc/29/83/09/1325298309.db2.gz DARFVROAOYSERX-ZJUUUORDSA-N 2 0 349.219 3.050 10 10 EGCERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3CCCCO3)cc2F)CC1 ZINC000858362546 1328745777 /nfs/dbraw/zinc/74/57/77/1328745777.db2.gz HNBLYUPFGMEJRN-OXQOHEQNSA-N 2 0 349.494 3.015 10 10 EGCERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001332557160 1390134711 /nfs/dbraw/zinc/13/47/11/1390134711.db2.gz XTAIPTJEWZTNNJ-GIVPXCGWSA-N 2 0 343.515 3.148 10 10 EGCERP Cc1cc(Br)cc([C@@H](C)[NH2+]CCCC[NH+](C)C)c1O ZINC000275328075 456272689 /nfs/dbraw/zinc/27/26/89/456272689.db2.gz MMCQGEYJPCPTGV-GFCCVEGCSA-N 2 0 329.282 3.456 10 10 EGCERP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000185459367 455559909 /nfs/dbraw/zinc/55/99/09/455559909.db2.gz AITBJUMAAJITDA-ZDUSSCGKSA-N 2 0 332.419 3.452 10 10 EGCERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3CCCCO3)cc2F)CC1 ZINC000858362517 1328745552 /nfs/dbraw/zinc/74/55/52/1328745552.db2.gz HNBLYUPFGMEJRN-JXFKEZNVSA-N 2 0 349.494 3.015 10 10 EGCERP Oc1ccc(Br)cc1CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000236614949 1296191444 /nfs/dbraw/zinc/19/14/44/1296191444.db2.gz ZAMCTEVOGBRTMX-MRXNPFEDSA-N 2 0 339.277 3.120 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CCC4(CCC4)O3)cc2)CC1 ZINC000922968671 1322665650 /nfs/dbraw/zinc/66/56/50/1322665650.db2.gz VTPJWUUYAZLLFT-HXUWFJFHSA-N 2 0 343.515 3.020 10 10 EGCERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000187023463 455863322 /nfs/dbraw/zinc/86/33/22/455863322.db2.gz DOKJEARMMWESHG-STQMWFEESA-N 2 0 341.293 3.456 10 10 EGCERP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000858099995 1328681697 /nfs/dbraw/zinc/68/16/97/1328681697.db2.gz FVERVBCEYQQWJC-QGZVFWFLSA-N 2 0 333.545 3.202 10 10 EGCERP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858108399 1328684979 /nfs/dbraw/zinc/68/49/79/1328684979.db2.gz FGVKNYWYPWIKSJ-SJLPKXTDSA-N 2 0 331.504 3.047 10 10 EGCERP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858108397 1328684877 /nfs/dbraw/zinc/68/48/77/1328684877.db2.gz FGVKNYWYPWIKSJ-AEFFLSMTSA-N 2 0 331.504 3.047 10 10 EGCERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000925479395 1325169136 /nfs/dbraw/zinc/16/91/36/1325169136.db2.gz GYSBFQXAIRJXDY-RYQLBKOJSA-N 2 0 331.504 3.080 10 10 EGCERP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)ccc1O ZINC000925881944 1325340995 /nfs/dbraw/zinc/34/09/95/1325340995.db2.gz HVSBYPSQHZYSJJ-OSMZGAPFSA-N 2 0 327.266 3.323 10 10 EGCERP CC[N@@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000862248797 1329471004 /nfs/dbraw/zinc/47/10/04/1329471004.db2.gz SEADOZBPZXGHCY-SWLSCSKDSA-N 2 0 341.293 3.317 10 10 EGCERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000925479393 1325169042 /nfs/dbraw/zinc/16/90/42/1325169042.db2.gz GYSBFQXAIRJXDY-CGTJXYLNSA-N 2 0 331.504 3.080 10 10 EGCERP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)ccc1O ZINC000925881947 1325341132 /nfs/dbraw/zinc/34/11/32/1325341132.db2.gz HVSBYPSQHZYSJJ-SCDSUCTJSA-N 2 0 327.266 3.323 10 10 EGCERP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000863540394 1329561867 /nfs/dbraw/zinc/56/18/67/1329561867.db2.gz DEMLHAVTDXRCJE-QGZVFWFLSA-N 2 0 331.504 3.226 10 10 EGCERP C[NH+]1CCN(c2ccc(CN[C@H](CF)c3ccc(F)cc3)cc2)CC1 ZINC000865823030 1329742335 /nfs/dbraw/zinc/74/23/35/1329742335.db2.gz QVFOCAQEADVBOR-HXUWFJFHSA-N 2 0 345.437 3.378 10 10 EGCERP Cc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(O)c1 ZINC000185573522 455579421 /nfs/dbraw/zinc/57/94/21/455579421.db2.gz BOUXWQMKJJDMNT-SFHVURJKSA-N 2 0 345.531 3.302 10 10 EGCERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccns3)cc2F)CC1 ZINC000924996495 1323238790 /nfs/dbraw/zinc/23/87/90/1323238790.db2.gz XTTICQRLTFJWCE-AWEZNQCLSA-N 2 0 348.491 3.275 10 10 EGCERP COc1ccc(N2CC[C@H]([NH2+][C@@H](CCC[NH3+])c3ccccc3)C2)cc1 ZINC000925709955 1325267125 /nfs/dbraw/zinc/26/71/25/1325267125.db2.gz AUYMBENKRSGSML-RXVVDRJESA-N 2 0 339.483 3.344 10 10 EGCERP CCN(CC)c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000863651636 1329570548 /nfs/dbraw/zinc/57/05/48/1329570548.db2.gz CSMSNANQHHMGKC-NRFANRHFSA-N 2 0 345.531 3.123 10 10 EGCERP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(O)c1 ZINC000093337022 1292914889 /nfs/dbraw/zinc/91/48/89/1292914889.db2.gz UKNJQMAGHNYLAC-GOSISDBHSA-N 2 0 340.467 3.355 10 10 EGCERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1O ZINC000397616376 1297700928 /nfs/dbraw/zinc/70/09/28/1297700928.db2.gz HELJYIMFOMIXHS-QGZVFWFLSA-N 2 0 340.467 3.070 10 10 EGCERP Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000925803750 1325307132 /nfs/dbraw/zinc/30/71/32/1325307132.db2.gz UMMXPPLNPNACEF-FRRDWIJNSA-N 2 0 341.293 3.359 10 10 EGCERP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(O)cc(F)c1 ZINC000926853423 1327741673 /nfs/dbraw/zinc/74/16/73/1327741673.db2.gz FLBNCBGTEWEEFT-OAHLLOKOSA-N 2 0 343.446 3.134 10 10 EGCERP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC001118489483 1371188536 /nfs/dbraw/zinc/18/85/36/1371188536.db2.gz MPNHTIBBAKUJBG-YESZJQIVSA-N 2 0 333.520 3.111 10 10 EGCERP C[NH+](C)CC1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC001334890114 1390613875 /nfs/dbraw/zinc/61/38/75/1390613875.db2.gz FXGPVVFCITWMMV-UHFFFAOYSA-N 2 0 341.293 3.365 10 10 EGCERP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1O ZINC000175620374 455472048 /nfs/dbraw/zinc/47/20/48/455472048.db2.gz HILPMSCWSUCITP-AWEZNQCLSA-N 2 0 343.402 3.063 10 10 EGCERP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925711092 1325266954 /nfs/dbraw/zinc/26/69/54/1325266954.db2.gz DEJLKTVDAYFIOU-DZFGPLHGSA-N 2 0 343.515 3.032 10 10 EGCERP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000863540393 1329561733 /nfs/dbraw/zinc/56/17/33/1329561733.db2.gz DEMLHAVTDXRCJE-KRWDZBQOSA-N 2 0 331.504 3.226 10 10 EGCERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000185059955 455494005 /nfs/dbraw/zinc/49/40/05/455494005.db2.gz AHOBGVSWSFEXSL-RYUDHWBXSA-N 2 0 327.266 3.147 10 10 EGCERP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000872251786 1296853605 /nfs/dbraw/zinc/85/36/05/1296853605.db2.gz NBPUIMLKBOUHKB-CYBMUJFWSA-N 2 0 327.266 3.023 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000922422726 1322526439 /nfs/dbraw/zinc/52/64/39/1322526439.db2.gz SKKZILKAWNAWDN-CTXDPNEZSA-N 2 0 345.556 3.202 10 10 EGCERP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1O ZINC000925779994 1325299006 /nfs/dbraw/zinc/29/90/06/1325299006.db2.gz DARFVROAOYSERX-VHSXEESVSA-N 2 0 349.219 3.050 10 10 EGCERP [NH3+]C1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCOCC1 ZINC000863542452 1329561719 /nfs/dbraw/zinc/56/17/19/1329561719.db2.gz UMWQMLFKINBQBI-LJQANCHMSA-N 2 0 340.467 3.164 10 10 EGCERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H]3CCCCO3)cc2F)CC1 ZINC000858362549 1328745571 /nfs/dbraw/zinc/74/55/71/1328745571.db2.gz HNBLYUPFGMEJRN-UZLBHIALSA-N 2 0 349.494 3.015 10 10 EGCERP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)C2)cc1 ZINC000925706278 1325265813 /nfs/dbraw/zinc/26/58/13/1325265813.db2.gz MVUYKXMEWYDHFJ-BRWVUGGUSA-N 2 0 331.504 3.017 10 10 EGCERP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000925479396 1325168775 /nfs/dbraw/zinc/16/87/75/1325168775.db2.gz GYSBFQXAIRJXDY-SZMVWBNQSA-N 2 0 331.504 3.080 10 10 EGCERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(Br)ccc1O ZINC000925839862 1325323946 /nfs/dbraw/zinc/32/39/46/1325323946.db2.gz FCQYOWLSWYJDMF-IUIKQTSFSA-N 2 0 339.277 3.338 10 10 EGCERP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000190458146 455321507 /nfs/dbraw/zinc/32/15/07/455321507.db2.gz FDWQEKAVVVPNOY-INIZCTEOSA-N 2 0 345.512 3.419 10 10 EGCERP COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)C2)cc1 ZINC000925706281 1325266306 /nfs/dbraw/zinc/26/63/06/1325266306.db2.gz MVUYKXMEWYDHFJ-IKGGRYGDSA-N 2 0 331.504 3.017 10 10 EGCERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(Br)ccc1O ZINC000925839861 1325324241 /nfs/dbraw/zinc/32/42/41/1325324241.db2.gz FCQYOWLSWYJDMF-HFBAOOFYSA-N 2 0 339.277 3.338 10 10 EGCERP COc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CC2)cc1 ZINC000858121936 1328688292 /nfs/dbraw/zinc/68/82/92/1328688292.db2.gz CUZGHWGULXGXQO-KRWDZBQOSA-N 2 0 331.504 3.126 10 10 EGCERP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccc1O ZINC000925817598 1325315309 /nfs/dbraw/zinc/31/53/09/1325315309.db2.gz QSSORXASZJKLHM-FQEVSTJZSA-N 2 0 339.483 3.038 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc4cccnc4c3)cc2)CC1 ZINC000865679982 1329728509 /nfs/dbraw/zinc/72/85/09/1329728509.db2.gz MMAIWSDLAXHHTK-UHFFFAOYSA-N 2 0 346.478 3.276 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH2+]C3([C@@H]4CCCCO4)CCC3)cc2)CC1 ZINC000865856685 1329745939 /nfs/dbraw/zinc/74/59/39/1329745939.db2.gz JXCXDSJOKQOMFJ-FQEVSTJZSA-N 2 0 343.515 3.020 10 10 EGCERP COc1ccccc1C[NH2+][C@@H](C)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000071825383 454226089 /nfs/dbraw/zinc/22/60/89/454226089.db2.gz RMWPMKINGXTZBO-KRWDZBQOSA-N 2 0 339.483 3.298 10 10 EGCERP CC[N@@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000862248796 1329470741 /nfs/dbraw/zinc/47/07/41/1329470741.db2.gz SEADOZBPZXGHCY-IUODEOHRSA-N 2 0 341.293 3.317 10 10 EGCERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001332557162 1390134744 /nfs/dbraw/zinc/13/47/44/1390134744.db2.gz XTAIPTJEWZTNNJ-HMXCVIKNSA-N 2 0 343.515 3.148 10 10 EGCERP [NH3+]C1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCOCC1 ZINC000863542450 1329562061 /nfs/dbraw/zinc/56/20/61/1329562061.db2.gz UMWQMLFKINBQBI-IBGZPJMESA-N 2 0 340.467 3.164 10 10 EGCERP c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001327889204 1388617387 /nfs/dbraw/zinc/61/73/87/1388617387.db2.gz OWYPDVQPMHTNCZ-FQEVSTJZSA-N 2 0 327.516 3.498 10 10 EGCERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccns3)cc2F)CC1 ZINC000924996496 1323238541 /nfs/dbraw/zinc/23/85/41/1323238541.db2.gz XTTICQRLTFJWCE-CQSZACIVSA-N 2 0 348.491 3.275 10 10 EGCERP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000925780338 1325298869 /nfs/dbraw/zinc/29/88/69/1325298869.db2.gz DUGRTLPNEDDBFN-UWVGGRQHSA-N 2 0 349.219 3.050 10 10 EGCERP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)ccc1O ZINC000925786595 1325303238 /nfs/dbraw/zinc/30/32/38/1325303238.db2.gz ULYZOAOHIAQUSL-SUNKGSAMSA-N 2 0 327.266 3.051 10 10 EGCERP CC[N@@H+]1CC[C@H](N(C)Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000862248795 1329470780 /nfs/dbraw/zinc/47/07/80/1329470780.db2.gz SEADOZBPZXGHCY-DOMZBBRYSA-N 2 0 341.293 3.317 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH2+]C3([C@H]4CCCCO4)CCC3)cc2)CC1 ZINC000865856686 1329745930 /nfs/dbraw/zinc/74/59/30/1329745930.db2.gz JXCXDSJOKQOMFJ-HXUWFJFHSA-N 2 0 343.515 3.020 10 10 EGCERP Cc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000185573358 455579909 /nfs/dbraw/zinc/57/99/09/455579909.db2.gz ATUWJZLUPQFTJR-SFHVURJKSA-N 2 0 345.531 3.302 10 10 EGCERP CCC[NH+]1CCC(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858127915 1328689566 /nfs/dbraw/zinc/68/95/66/1328689566.db2.gz UUUIQMFOTYXFQR-UHFFFAOYSA-N 2 0 325.447 3.242 10 10 EGCERP COc1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)CC2)cc1 ZINC000925566010 1325213172 /nfs/dbraw/zinc/21/31/72/1325213172.db2.gz ZYJUJJAYQMRNOX-HSALFYBXSA-N 2 0 343.515 3.030 10 10 EGCERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc2ccccc2c1O ZINC000925844053 1325324994 /nfs/dbraw/zinc/32/49/94/1325324994.db2.gz IXYGADWDUBNFEO-QGZVFWFLSA-N 2 0 341.499 3.272 10 10 EGCERP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858108400 1328685019 /nfs/dbraw/zinc/68/50/19/1328685019.db2.gz FGVKNYWYPWIKSJ-WMZOPIPTSA-N 2 0 331.504 3.047 10 10 EGCERP CC[NH+](CC)CCNC(=O)c1cccc2c(N)c3ccccc3[nH+]c12 ZINC000005847368 452906479 /nfs/dbraw/zinc/90/64/79/452906479.db2.gz CVEJSHZPRMTEAO-UHFFFAOYSA-N 2 0 336.439 3.042 10 10 EGCERP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000245708941 455361934 /nfs/dbraw/zinc/36/19/34/455361934.db2.gz CECAYSRYVVMZEW-YJBOKZPZSA-N 2 0 330.472 3.240 10 10 EGCERP CCN(CC)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000179517722 455054545 /nfs/dbraw/zinc/05/45/45/455054545.db2.gz SPLFCJFOYUVRDZ-GOSISDBHSA-N 2 0 347.547 3.057 10 10 EGCERP CN(C)c1cc(F)c(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1F ZINC001328688377 1388808504 /nfs/dbraw/zinc/80/85/04/1388808504.db2.gz JFWDNALHFRQCBN-UHFFFAOYSA-N 2 0 325.447 3.241 10 10 EGCERP CC1(C)[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925472265 1325164969 /nfs/dbraw/zinc/16/49/69/1325164969.db2.gz CSJFEQAHOYEAGA-QYZOEREBSA-N 2 0 345.556 3.106 10 10 EGCERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000187023444 455863726 /nfs/dbraw/zinc/86/37/26/455863726.db2.gz DOKJEARMMWESHG-QWHCGFSZSA-N 2 0 341.293 3.456 10 10 EGCERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@H]3CCCCO3)cc2F)CC1 ZINC000858362518 1328745888 /nfs/dbraw/zinc/74/58/88/1328745888.db2.gz HNBLYUPFGMEJRN-OXJNMPFZSA-N 2 0 349.494 3.015 10 10 EGCERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000185059509 455494174 /nfs/dbraw/zinc/49/41/74/455494174.db2.gz ZZGCLPSPUXDLMH-NWDGAFQWSA-N 2 0 327.266 3.147 10 10 EGCERP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000180031462 1294854929 /nfs/dbraw/zinc/85/49/29/1294854929.db2.gz DRYQMYZFDSCKTJ-KRWDZBQOSA-N 2 0 332.488 3.489 10 10 EGCERP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000865766022 1329736531 /nfs/dbraw/zinc/73/65/31/1329736531.db2.gz XNNAODFORCQEDP-UHFFFAOYSA-N 2 0 349.494 3.015 10 10 EGCERP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1O ZINC000925779993 1325298452 /nfs/dbraw/zinc/29/84/52/1325298452.db2.gz DARFVROAOYSERX-UWVGGRQHSA-N 2 0 349.219 3.050 10 10 EGCERP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249130 1329471025 /nfs/dbraw/zinc/47/10/25/1329471025.db2.gz WZKGKBYSNCXERJ-CXAGYDPISA-N 2 0 325.447 3.193 10 10 EGCERP C[NH+](C)Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)cc1 ZINC000067642818 215172392 /nfs/dbraw/zinc/17/23/92/215172392.db2.gz LDNSJWVEAPNWJP-GOSISDBHSA-N 2 0 326.440 3.497 10 10 EGCERP COc1ccc(N2CC[C@@H]([NH2+][C@@H](CCC[NH3+])c3ccccc3)C2)cc1 ZINC000925709951 1325267767 /nfs/dbraw/zinc/26/77/67/1325267767.db2.gz AUYMBENKRSGSML-NQIIRXRSSA-N 2 0 339.483 3.344 10 10 EGCERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Br)cc1O ZINC000925839517 1325324166 /nfs/dbraw/zinc/32/41/66/1325324166.db2.gz CFEMCJCHBOBZKT-IUIKQTSFSA-N 2 0 339.277 3.338 10 10 EGCERP Cc1cc(Br)cc([C@H](C)[NH2+]CCCC[NH+](C)C)c1O ZINC000275328080 456273375 /nfs/dbraw/zinc/27/33/75/456273375.db2.gz MMCQGEYJPCPTGV-LBPRGKRZSA-N 2 0 329.282 3.456 10 10 EGCERP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000925479394 1325168749 /nfs/dbraw/zinc/16/87/49/1325168749.db2.gz GYSBFQXAIRJXDY-JQHSSLGASA-N 2 0 331.504 3.080 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)C(C)(F)F)cc2)CC1 ZINC000865789467 1329738696 /nfs/dbraw/zinc/73/86/96/1329738696.db2.gz CVRYCUZDKWCPKP-UHFFFAOYSA-N 2 0 325.447 3.209 10 10 EGCERP CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)c1O ZINC000055281063 214300671 /nfs/dbraw/zinc/30/06/71/214300671.db2.gz NQMSDFYTTAKUIY-NRFANRHFSA-N 2 0 344.499 3.489 10 10 EGCERP CCN(CC)c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000863651637 1329570512 /nfs/dbraw/zinc/57/05/12/1329570512.db2.gz CSMSNANQHHMGKC-OAQYLSRUSA-N 2 0 345.531 3.123 10 10 EGCERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113323725 454923336 /nfs/dbraw/zinc/92/33/36/454923336.db2.gz AOOKFSKILXNNDO-UHFFFAOYSA-N 2 0 334.847 3.276 10 10 EGCERP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000190458124 455321793 /nfs/dbraw/zinc/32/17/93/455321793.db2.gz FDWQEKAVVVPNOY-MRXNPFEDSA-N 2 0 345.512 3.419 10 10 EGCERP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1O ZINC000175620352 455472495 /nfs/dbraw/zinc/47/24/95/455472495.db2.gz HILPMSCWSUCITP-CQSZACIVSA-N 2 0 343.402 3.063 10 10 EGCERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000185059934 455494410 /nfs/dbraw/zinc/49/44/10/455494410.db2.gz AHOBGVSWSFEXSL-NWDGAFQWSA-N 2 0 327.266 3.147 10 10 EGCERP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247245306 455577700 /nfs/dbraw/zinc/57/77/00/455577700.db2.gz WYWNARJQEWQEJJ-KXBFYZLASA-N 2 0 330.472 3.240 10 10 EGCERP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000925847737 1325327734 /nfs/dbraw/zinc/32/77/34/1325327734.db2.gz UYWCHLZKMHFKJK-KRWDZBQOSA-N 2 0 339.911 3.162 10 10 EGCERP CC[N@@H+]1CC[C@H](N(C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249134 1329470714 /nfs/dbraw/zinc/47/07/14/1329470714.db2.gz WZKGKBYSNCXERJ-GUYCJALGSA-N 2 0 325.447 3.193 10 10 EGCERP C[NH+](C)Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)c(O)c2)cc1 ZINC000067642816 215172608 /nfs/dbraw/zinc/17/26/08/215172608.db2.gz LDNSJWVEAPNWJP-SFHVURJKSA-N 2 0 326.440 3.497 10 10 EGCERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000185573625 455580318 /nfs/dbraw/zinc/58/03/18/455580318.db2.gz RXXUINQOJJGOGO-INIZCTEOSA-N 2 0 349.494 3.132 10 10 EGCERP Cc1cnc(Cl)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000922333603 1322503777 /nfs/dbraw/zinc/50/37/77/1322503777.db2.gz SRXTUMNMSZXHLL-UHFFFAOYSA-N 2 0 344.890 3.085 10 10 EGCERP COc1ccc(N2CCC([NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925565500 1325213323 /nfs/dbraw/zinc/21/33/23/1325213323.db2.gz SNQIQOXEFKCKNO-WBVHZDCISA-N 2 0 331.504 3.160 10 10 EGCERP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c1O ZINC000925883819 1325342475 /nfs/dbraw/zinc/34/24/75/1325342475.db2.gz YATZEAXCWNORAM-LOWVWBTDSA-N 2 0 327.266 3.241 10 10 EGCERP c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001327889205 1388617297 /nfs/dbraw/zinc/61/72/97/1388617297.db2.gz OWYPDVQPMHTNCZ-HXUWFJFHSA-N 2 0 327.516 3.498 10 10 EGCERP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c1O ZINC000925883820 1325342438 /nfs/dbraw/zinc/34/24/38/1325342438.db2.gz YATZEAXCWNORAM-WZRBSPASSA-N 2 0 327.266 3.241 10 10 EGCERP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)ccc1O ZINC000925786599 1325302418 /nfs/dbraw/zinc/30/24/18/1325302418.db2.gz ULYZOAOHIAQUSL-UHIISALHSA-N 2 0 327.266 3.051 10 10 EGCERP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249135 1329470930 /nfs/dbraw/zinc/47/09/30/1329470930.db2.gz WZKGKBYSNCXERJ-SUMWQHHRSA-N 2 0 325.447 3.193 10 10 EGCERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)CC1(C)C ZINC000862366590 1329478606 /nfs/dbraw/zinc/47/86/06/1329478606.db2.gz UHSQBYTZZJTAOQ-ZDUSSCGKSA-N 2 0 327.266 3.117 10 10 EGCERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000185059528 455493944 /nfs/dbraw/zinc/49/39/44/455493944.db2.gz ZZGCLPSPUXDLMH-RYUDHWBXSA-N 2 0 327.266 3.147 10 10 EGCERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000925847738 1325327517 /nfs/dbraw/zinc/32/75/17/1325327517.db2.gz UYWCHLZKMHFKJK-QGZVFWFLSA-N 2 0 339.911 3.162 10 10 EGCERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295812157 455860760 /nfs/dbraw/zinc/86/07/60/455860760.db2.gz CTYDQXYGPLSWDI-GOSISDBHSA-N 2 0 326.440 3.110 10 10 EGCERP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858108398 1328684959 /nfs/dbraw/zinc/68/49/59/1328684959.db2.gz FGVKNYWYPWIKSJ-FUHWJXTLSA-N 2 0 331.504 3.047 10 10 EGCERP COc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](CCC(C)C)CC3)C2)cc1 ZINC000926681400 1327664351 /nfs/dbraw/zinc/66/43/51/1327664351.db2.gz YAGZUNPATNYBIO-LJQANCHMSA-N 2 0 345.531 3.374 10 10 EGCERP Oc1ccc(Br)cc1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000236615011 1296192026 /nfs/dbraw/zinc/19/20/26/1296192026.db2.gz ZAMCTEVOGBRTMX-INIZCTEOSA-N 2 0 339.277 3.120 10 10 EGCERP CCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)c1O ZINC000055281068 214300908 /nfs/dbraw/zinc/30/09/08/214300908.db2.gz NQMSDFYTTAKUIY-OAQYLSRUSA-N 2 0 344.499 3.489 10 10 EGCERP COc1ccc(C[NH2+][C@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000071825380 454225863 /nfs/dbraw/zinc/22/58/63/454225863.db2.gz DQIINXNHBWIGNH-QGZVFWFLSA-N 2 0 339.483 3.298 10 10 EGCERP C[NH+](C)C1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182997867 1295090543 /nfs/dbraw/zinc/09/05/43/1295090543.db2.gz OBYFYNTVMFVNQG-UHFFFAOYSA-N 2 0 340.467 3.497 10 10 EGCERP COc1cc(C)cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1O ZINC000895083584 1309185863 /nfs/dbraw/zinc/18/58/63/1309185863.db2.gz BETLWKLSKAAVQN-MOPGFXCFSA-N 2 0 340.467 3.144 10 10 EGCERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000925780340 1325299183 /nfs/dbraw/zinc/29/91/83/1325299183.db2.gz DUGRTLPNEDDBFN-ZJUUUORDSA-N 2 0 349.219 3.050 10 10 EGCERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(Cl)ccc1O ZINC000925842549 1325325429 /nfs/dbraw/zinc/32/54/29/1325325429.db2.gz ACJCPMOBOUOHNZ-QGZVFWFLSA-N 2 0 339.911 3.162 10 10 EGCERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001332557161 1390134719 /nfs/dbraw/zinc/13/47/19/1390134719.db2.gz XTAIPTJEWZTNNJ-HLAWJBBLSA-N 2 0 343.515 3.148 10 10 EGCERP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925711113 1325266746 /nfs/dbraw/zinc/26/67/46/1325266746.db2.gz DEJLKTVDAYFIOU-YYWHXJBOSA-N 2 0 343.515 3.032 10 10 EGCERP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1O ZINC000925800824 1325307852 /nfs/dbraw/zinc/30/78/52/1325307852.db2.gz ZEKRPUDEHGZTRM-IJLUTSLNSA-N 2 0 327.266 3.051 10 10 EGCERP COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000071825381 454226019 /nfs/dbraw/zinc/22/60/19/454226019.db2.gz GXHKGNBYDMALNE-KRWDZBQOSA-N 2 0 339.483 3.298 10 10 EGCERP Cc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000185573339 455579329 /nfs/dbraw/zinc/57/93/29/455579329.db2.gz ATUWJZLUPQFTJR-GOSISDBHSA-N 2 0 345.531 3.302 10 10 EGCERP COc1ccc(N2CCC([NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925565499 1325212933 /nfs/dbraw/zinc/21/29/33/1325212933.db2.gz SNQIQOXEFKCKNO-RDJZCZTQSA-N 2 0 331.504 3.160 10 10 EGCERP COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925565498 1325212979 /nfs/dbraw/zinc/21/29/79/1325212979.db2.gz SNQIQOXEFKCKNO-NVXWUHKLSA-N 2 0 331.504 3.160 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000922949206 1322657734 /nfs/dbraw/zinc/65/77/34/1322657734.db2.gz SOHLEECZNBFFLC-GOSISDBHSA-N 2 0 345.531 3.122 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CCC4(CCC4)O3)cc2)CC1 ZINC000922968669 1322665737 /nfs/dbraw/zinc/66/57/37/1322665737.db2.gz VTPJWUUYAZLLFT-FQEVSTJZSA-N 2 0 343.515 3.020 10 10 EGCERP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925711107 1325267809 /nfs/dbraw/zinc/26/78/09/1325267809.db2.gz DEJLKTVDAYFIOU-WMQCIHAUSA-N 2 0 343.515 3.032 10 10 EGCERP [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000294350527 455812987 /nfs/dbraw/zinc/81/29/87/455812987.db2.gz SNVXUKNOLCWIPJ-UHFFFAOYSA-N 2 0 349.837 3.334 10 10 EGCERP COc1ccc(N2CC[C@@H]([NH2+][C@H](CCC[NH3+])c3ccccc3)C2)cc1 ZINC000925709959 1325266986 /nfs/dbraw/zinc/26/69/86/1325266986.db2.gz AUYMBENKRSGSML-WIYYLYMNSA-N 2 0 339.483 3.344 10 10 EGCERP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925886850 1325343346 /nfs/dbraw/zinc/34/33/46/1325343346.db2.gz MEIXHWRLRHBKGZ-KKVAFCGZSA-N 2 0 326.440 3.111 10 10 EGCERP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC001118489480 1371188836 /nfs/dbraw/zinc/18/88/36/1371188836.db2.gz MPNHTIBBAKUJBG-IKGGRYGDSA-N 2 0 333.520 3.111 10 10 EGCERP COc1cccc(C[NH2+][C@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000071825382 454225792 /nfs/dbraw/zinc/22/57/92/454225792.db2.gz GXHKGNBYDMALNE-QGZVFWFLSA-N 2 0 339.483 3.298 10 10 EGCERP COc1ccc(N2CCC([NH2+][C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)CC2)cc1 ZINC000925566009 1325213994 /nfs/dbraw/zinc/21/39/94/1325213994.db2.gz ZYJUJJAYQMRNOX-AABGKKOBSA-N 2 0 343.515 3.030 10 10 EGCERP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000925780337 1325298273 /nfs/dbraw/zinc/29/82/73/1325298273.db2.gz DUGRTLPNEDDBFN-NXEZZACHSA-N 2 0 349.219 3.050 10 10 EGCERP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(O)cc(F)c1 ZINC000926853422 1327741349 /nfs/dbraw/zinc/74/13/49/1327741349.db2.gz FLBNCBGTEWEEFT-HNNXBMFYSA-N 2 0 343.446 3.134 10 10 EGCERP Oc1ccc(Br)cc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000313004982 1297120706 /nfs/dbraw/zinc/12/07/06/1297120706.db2.gz VGHSSSQXKPDVGI-UHFFFAOYSA-N 2 0 339.277 3.120 10 10 EGCERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1O ZINC000397616373 1297701484 /nfs/dbraw/zinc/70/14/84/1297701484.db2.gz HELJYIMFOMIXHS-KRWDZBQOSA-N 2 0 340.467 3.070 10 10 EGCERP COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000071825379 454225611 /nfs/dbraw/zinc/22/56/11/454225611.db2.gz DQIINXNHBWIGNH-KRWDZBQOSA-N 2 0 339.483 3.298 10 10 EGCERP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1O ZINC000925779992 1325299309 /nfs/dbraw/zinc/29/93/09/1325299309.db2.gz DARFVROAOYSERX-NXEZZACHSA-N 2 0 349.219 3.050 10 10 EGCERP COc1ccc(N2CCC([NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925565497 1325213051 /nfs/dbraw/zinc/21/30/51/1325213051.db2.gz SNQIQOXEFKCKNO-DOTOQJQBSA-N 2 0 331.504 3.160 10 10 EGCERP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000925780339 1325298408 /nfs/dbraw/zinc/29/84/08/1325298408.db2.gz DUGRTLPNEDDBFN-VHSXEESVSA-N 2 0 349.219 3.050 10 10 EGCERP CC[N@@H+]1CC[C@H](N(C)Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000862248798 1329470893 /nfs/dbraw/zinc/47/08/93/1329470893.db2.gz SEADOZBPZXGHCY-WFASDCNBSA-N 2 0 341.293 3.317 10 10 EGCERP Oc1ccc2ccncc2c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000738070920 576284591 /nfs/dbraw/zinc/28/45/91/576284591.db2.gz DALJRVRZYGGYIO-UHFFFAOYSA-N 2 0 325.456 3.248 10 10 EGCERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1(C)C ZINC000858099994 1328682209 /nfs/dbraw/zinc/68/22/09/1328682209.db2.gz FVERVBCEYQQWJC-KRWDZBQOSA-N 2 0 333.545 3.202 10 10 EGCERP CC1(C)[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925472263 1325164657 /nfs/dbraw/zinc/16/46/57/1325164657.db2.gz CSJFEQAHOYEAGA-CEXWTWQISA-N 2 0 345.556 3.106 10 10 EGCERP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccc1O ZINC000925817601 1325314422 /nfs/dbraw/zinc/31/44/22/1325314422.db2.gz QSSORXASZJKLHM-HXUWFJFHSA-N 2 0 339.483 3.038 10 10 EGCERP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)CC1(C)C ZINC000862366589 1329478390 /nfs/dbraw/zinc/47/83/90/1329478390.db2.gz UHSQBYTZZJTAOQ-CYBMUJFWSA-N 2 0 327.266 3.117 10 10 EGCERP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925711099 1325267741 /nfs/dbraw/zinc/26/77/41/1325267741.db2.gz DEJLKTVDAYFIOU-IOMROCGXSA-N 2 0 343.515 3.032 10 10 EGCERP C[NH+]1CCN(c2ccc(CN[C@@H](CF)c3ccc(F)cc3)cc2)CC1 ZINC000865823029 1329742416 /nfs/dbraw/zinc/74/24/16/1329742416.db2.gz QVFOCAQEADVBOR-FQEVSTJZSA-N 2 0 345.437 3.378 10 10 EGCERP Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000263642533 456180128 /nfs/dbraw/zinc/18/01/28/456180128.db2.gz AITXQCMPAYPIHI-UHFFFAOYSA-N 2 0 340.467 3.261 10 10 EGCERP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(O)c1 ZINC000093337021 1292915466 /nfs/dbraw/zinc/91/54/66/1292915466.db2.gz UKNJQMAGHNYLAC-SFHVURJKSA-N 2 0 340.467 3.355 10 10 EGCERP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1O ZINC000925800823 1325307676 /nfs/dbraw/zinc/30/76/76/1325307676.db2.gz ZEKRPUDEHGZTRM-GRYCIOLGSA-N 2 0 327.266 3.051 10 10 EGCERP CC[N@@H+]1CC[C@H](N(C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249132 1329470687 /nfs/dbraw/zinc/47/06/87/1329470687.db2.gz WZKGKBYSNCXERJ-DYVFJYSZSA-N 2 0 325.447 3.193 10 10 EGCERP C[NH+]1CCN(c2ccc(C[NH+]3CC(Cc4cccs4)C3)cc2)CC1 ZINC000862539420 1329494044 /nfs/dbraw/zinc/49/40/44/1329494044.db2.gz MDKFBNMIBUUZPC-UHFFFAOYSA-N 2 0 341.524 3.174 10 10 EGCERP