smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCCCC2)c(OC)c1 ZINC000001587297 204013887 /nfs/dbraw/zinc/01/38/87/204013887.db2.gz BNQXLOJQVMOCHF-OAQYLSRUSA-N 1 0 371.433 3.713 50 10 FHCARO Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000002966111 204071255 /nfs/dbraw/zinc/07/12/55/204071255.db2.gz DOKWZEPESNWUNS-IBGZPJMESA-N 1 0 359.902 3.819 50 10 FHCARO O[C@]1(c2ccc(F)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 ZINC000002966000 204071506 /nfs/dbraw/zinc/07/15/06/204071506.db2.gz KSIWQZMWRKAUDC-SFHVURJKSA-N 1 0 363.865 3.650 50 10 FHCARO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000005097912 204192078 /nfs/dbraw/zinc/19/20/78/204192078.db2.gz IWFBVGPFJPPTNO-HXUWFJFHSA-N 1 0 371.912 3.973 50 10 FHCARO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000023375178 136152671 /nfs/dbraw/zinc/15/26/71/136152671.db2.gz DXSVSILYRYXTMA-OAQYLSRUSA-N 1 0 357.542 3.614 50 10 FHCARO Oc1ccc(-c2cccnc2)cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000011881873 570711468 /nfs/dbraw/zinc/71/14/68/570711468.db2.gz RFGSOTWHEAUTRE-UHFFFAOYSA-N 1 0 351.494 3.905 50 10 FHCARO COc1ccc2c(c1)C[C@H](N1CC[NH+](C)CC1)c1cc(OC)ccc1S2 ZINC000019802404 570903249 /nfs/dbraw/zinc/90/32/49/570903249.db2.gz CNYRNWBKXAGLAB-IBGZPJMESA-N 1 0 370.518 3.700 50 10 FHCARO Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1C ZINC000013008187 571322992 /nfs/dbraw/zinc/32/29/92/571322992.db2.gz PZRLJLWYYRQKRD-QFIPXVFZSA-N 1 0 365.521 3.719 50 10 FHCARO CCOc1cccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)c1O ZINC000022241668 930450238 /nfs/dbraw/zinc/45/02/38/930450238.db2.gz DHEPMQBIFNPEMZ-UHFFFAOYSA-N 1 0 374.525 3.842 50 10 FHCARO C[NH+](C)CCCN1C(=O)/C(=C/c2ccc3ccccc3c2)SC1=S ZINC000096930749 203927994 /nfs/dbraw/zinc/92/79/94/203927994.db2.gz ZUYCIWIXKRDRTN-LGMDPLHJSA-N 1 0 356.516 3.993 50 10 FHCARO Cc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000002966074 204071737 /nfs/dbraw/zinc/07/17/37/204071737.db2.gz HHSZSZQXDDQLRW-IBGZPJMESA-N 1 0 359.902 3.819 50 10 FHCARO Cc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccc(Cl)cc2)C1 ZINC000002966076 204072110 /nfs/dbraw/zinc/07/21/10/204072110.db2.gz HHSZSZQXDDQLRW-LJQANCHMSA-N 1 0 359.902 3.819 50 10 FHCARO Cc1ccc([C@@]2(O)C[N+](c3cccc(C)c3C)=C3SCCCN32)cc1 ZINC000003912325 204116511 /nfs/dbraw/zinc/11/65/11/204116511.db2.gz WYWSUPMZUZXHEX-NRFANRHFSA-N 1 0 353.511 3.783 50 10 FHCARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(OC)c3O)n2C)cc1 ZINC000004679010 204154495 /nfs/dbraw/zinc/15/44/95/204154495.db2.gz HWWZJGWBGCFUQQ-UHFFFAOYSA-N 1 0 353.422 3.812 50 10 FHCARO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000005098046 204192188 /nfs/dbraw/zinc/19/21/88/204192188.db2.gz YPMBXLLYOFUNRU-HXUWFJFHSA-N 1 0 371.912 3.973 50 10 FHCARO CC[NH+](CC)CCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1 ZINC000006877865 204278607 /nfs/dbraw/zinc/27/86/07/204278607.db2.gz NQHGXJRSNUTHSE-UHFFFAOYSA-N 1 0 353.510 3.736 50 10 FHCARO CN1CCc2cc([C@H](CNC(=O)c3ccccc3)[NH+]3CCCCC3)ccc21 ZINC000013007797 206300523 /nfs/dbraw/zinc/30/05/23/206300523.db2.gz VMUWOXFTMDYDLX-QFIPXVFZSA-N 1 0 363.505 3.636 50 10 FHCARO CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000022418319 206377632 /nfs/dbraw/zinc/37/76/32/206377632.db2.gz QGWLLXLPRHTQII-IBGZPJMESA-N 1 0 370.497 3.576 50 10 FHCARO Cc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000057949361 136130323 /nfs/dbraw/zinc/13/03/23/136130323.db2.gz MDJISZJLBGEJEI-JOCHJYFZSA-N 1 0 368.521 3.857 50 10 FHCARO Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000012034296 570714926 /nfs/dbraw/zinc/71/49/26/570714926.db2.gz UUIQXEOLRYRFKN-UHFFFAOYSA-N 1 0 363.436 3.916 50 10 FHCARO COc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c1 ZINC000023282074 939975088 /nfs/dbraw/zinc/97/50/88/939975088.db2.gz RMRWBLJJIDINCX-UHFFFAOYSA-N 1 0 366.383 3.742 50 10 FHCARO CCCCN(c1cc(OC)c(OC)c(OC)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000005091607 947970842 /nfs/dbraw/zinc/97/08/42/947970842.db2.gz AGZPPWNXHVQWTG-SJPCQFCGSA-N 1 0 362.514 3.944 50 10 FHCARO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@H]1CC[NH2+]C[C@H]1F ZINC000888101874 948445861 /nfs/dbraw/zinc/44/58/61/948445861.db2.gz QDDVXMAOISBHSF-YVWKXTFCSA-N 1 0 370.468 3.820 50 10 FHCARO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1CC[NH2+]C[C@H]1F ZINC000888101870 948445953 /nfs/dbraw/zinc/44/59/53/948445953.db2.gz QDDVXMAOISBHSF-IMFGXOCKSA-N 1 0 370.468 3.820 50 10 FHCARO Cc1cccc(N2C[C@](O)(c3ccc(C)cc3C)[N+]3=C2SCCC3)c1 ZINC000002966129 204072127 /nfs/dbraw/zinc/07/21/27/204072127.db2.gz RUEBWTQCNKXTJD-NRFANRHFSA-N 1 0 353.511 3.783 50 10 FHCARO CNC(=O)c1ccc(C[N@H+](C)Cc2c(O)ccc3ccc(OC)cc32)cc1 ZINC000008188859 204321283 /nfs/dbraw/zinc/32/12/83/204321283.db2.gz ZWUGGGLFFCDSNN-UHFFFAOYSA-N 1 0 364.445 3.546 50 10 FHCARO Oc1ccccc1C[NH+]1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1 ZINC000023379695 570962807 /nfs/dbraw/zinc/96/28/07/570962807.db2.gz AGVVWHTVGCKZCS-UHFFFAOYSA-N 1 0 352.413 3.627 50 10 FHCARO COc1ccccc1N1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000004980774 571072869 /nfs/dbraw/zinc/07/28/69/571072869.db2.gz DQDXJAXRPBFAKS-VOTSOKGWSA-N 1 0 351.494 3.597 50 10 FHCARO CCOc1ccccc1N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000008164820 571359645 /nfs/dbraw/zinc/35/96/45/571359645.db2.gz RGBNSHOFYPCBIB-UHFFFAOYSA-N 1 0 352.478 3.602 50 10 FHCARO Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000004676568 204153618 /nfs/dbraw/zinc/15/36/18/204153618.db2.gz FKFWOARIBLDNPG-DEDYPNTBSA-N 1 0 372.428 3.582 50 10 FHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)ccc2O)N3)C1 ZINC000004556310 204146658 /nfs/dbraw/zinc/14/66/58/204146658.db2.gz UVZRJNYJZNOXHY-OAHLLOKOSA-N 1 0 363.870 3.914 50 10 FHCARO CCOc1cccc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c1O ZINC000055198001 205209139 /nfs/dbraw/zinc/20/91/39/205209139.db2.gz UKGFOKUNYUHOAY-UHFFFAOYSA-N 1 0 355.413 3.952 50 10 FHCARO COc1ccc(N2CC[N@H+](Cc3nc4ccccc4nc3C)[C@@H](C)C2)cc1 ZINC000072148090 136142774 /nfs/dbraw/zinc/14/27/74/136142774.db2.gz UATKCWXRNZOKCF-INIZCTEOSA-N 1 0 362.477 3.658 50 10 FHCARO Cc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008963212 263358179 /nfs/dbraw/zinc/35/81/79/263358179.db2.gz FGWHACXISPNSRS-JOCHJYFZSA-N 1 0 363.505 3.554 50 10 FHCARO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(OC)cc3O)C2)c1 ZINC000012595042 570753176 /nfs/dbraw/zinc/75/31/76/570753176.db2.gz REKMWRWPKPTDFJ-KRWDZBQOSA-N 1 0 355.434 3.504 50 10 FHCARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)c(OC)c1 ZINC000012701250 570756840 /nfs/dbraw/zinc/75/68/40/570756840.db2.gz OOTDKQQRWIQFBH-MRXNPFEDSA-N 1 0 355.434 3.504 50 10 FHCARO CCc1ccc([C@H](CNC(=O)/C=C/c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000032734742 570790541 /nfs/dbraw/zinc/79/05/41/570790541.db2.gz HZPCFSYKPJFTLN-GSTVHYHFSA-N 1 0 365.521 3.747 50 10 FHCARO CC(C)c1ccc(C[NH+]2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000022815942 570950274 /nfs/dbraw/zinc/95/02/74/570950274.db2.gz AZVQSKVFMAWMJA-UHFFFAOYSA-N 1 0 368.477 3.562 50 10 FHCARO Cc1cc(C[NH2+][C@@H](C)Cn2ccnc2)c(C)n1-c1ccc(F)c(F)c1F ZINC000030909668 571052928 /nfs/dbraw/zinc/05/29/28/571052928.db2.gz RBAPMROPZIOBQA-LBPRGKRZSA-N 1 0 362.399 3.886 50 10 FHCARO CCOc1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1COC(C)=O ZINC000067895092 571151668 /nfs/dbraw/zinc/15/16/68/571151668.db2.gz VEZLQKSOXQSTNP-UHFFFAOYSA-N 1 0 352.434 3.920 50 10 FHCARO CC(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000035349273 571167188 /nfs/dbraw/zinc/16/71/88/571167188.db2.gz HLCZIWQKJYWFKE-QFIPXVFZSA-N 1 0 365.521 3.624 50 10 FHCARO Cc1cccc([N+]2=C3SCCCN3[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000002966115 204071544 /nfs/dbraw/zinc/07/15/44/204071544.db2.gz DOKWZEPESNWUNS-LJQANCHMSA-N 1 0 359.902 3.819 50 10 FHCARO O[C@@]1(c2ccc(F)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 ZINC000002966001 204071576 /nfs/dbraw/zinc/07/15/76/204071576.db2.gz KSIWQZMWRKAUDC-GOSISDBHSA-N 1 0 363.865 3.650 50 10 FHCARO Cc1cccc(N2C[C@@](O)(c3ccc(C)cc3C)[N+]3=C2SCCC3)c1 ZINC000002966131 204072011 /nfs/dbraw/zinc/07/20/11/204072011.db2.gz RUEBWTQCNKXTJD-OAQYLSRUSA-N 1 0 353.511 3.783 50 10 FHCARO Cc1ccc(C)c([N+]2=C3SCCCN3[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000003912332 204116519 /nfs/dbraw/zinc/11/65/19/204116519.db2.gz YZACEQIZTHIHSY-HXUWFJFHSA-N 1 0 357.474 3.613 50 10 FHCARO Cc1cccc([N+]2=C3SCCCN3[C@](O)(c3ccc(F)cc3)C2)c1C ZINC000003912326 204116924 /nfs/dbraw/zinc/11/69/24/204116924.db2.gz UXGWSYOODXWETL-HXUWFJFHSA-N 1 0 357.474 3.613 50 10 FHCARO CCOc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000022418317 206378016 /nfs/dbraw/zinc/37/80/16/206378016.db2.gz QGWLLXLPRHTQII-LJQANCHMSA-N 1 0 370.497 3.576 50 10 FHCARO COc1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc(OC)c1 ZINC000048745538 136123797 /nfs/dbraw/zinc/12/37/97/136123797.db2.gz KSODAYIULSRGSN-UHFFFAOYSA-N 1 0 358.507 3.547 50 10 FHCARO COc1ccc(O)c(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 ZINC000012373214 570740144 /nfs/dbraw/zinc/74/01/44/570740144.db2.gz JUGLVCNPMOBOIT-ZDUSSCGKSA-N 1 0 355.413 3.885 50 10 FHCARO Cn1cc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333320980 571164044 /nfs/dbraw/zinc/16/40/44/571164044.db2.gz UMONSPUSPUDGIM-CRAIPNDOSA-N 1 0 366.509 3.677 50 10 FHCARO COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+]3CCCC[C@@H]3CCO)c2)c1 ZINC000020536913 941895095 /nfs/dbraw/zinc/89/50/95/941895095.db2.gz XXWIMXOQONAEKV-GOSISDBHSA-N 1 0 371.477 3.813 50 10 FHCARO CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[NH+](C)C)c2ccccc12 ZINC000005066603 204189631 /nfs/dbraw/zinc/18/96/31/204189631.db2.gz OXYVYKQDVZQGBN-DEDYPNTBSA-N 1 0 358.445 3.967 50 10 FHCARO COc1ccc(CC[NH2+]Cc2cc(Br)ccc2O)cc1OC ZINC000040477076 205071680 /nfs/dbraw/zinc/07/16/80/205071680.db2.gz LDVVQNOPEDNRRF-UHFFFAOYSA-N 1 0 366.255 3.504 50 10 FHCARO Oc1ccc(-c2ccccn2)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000299765769 132298434 /nfs/dbraw/zinc/29/84/34/132298434.db2.gz CVZSUJDIVHAHIN-UHFFFAOYSA-N 1 0 363.436 3.916 50 10 FHCARO Oc1ccc(Br)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000019361420 570887339 /nfs/dbraw/zinc/88/73/39/570887339.db2.gz AEWLVDGIZRZXSP-UHFFFAOYSA-N 1 0 353.304 3.605 50 10 FHCARO COc1ccc(N2CCN(Cc3[nH+]c(C)n4ccccc34)CC2(C)C)cc1 ZINC000072143894 571172445 /nfs/dbraw/zinc/17/24/45/571172445.db2.gz XXDVXGVANARMTA-UHFFFAOYSA-N 1 0 364.493 3.752 50 10 FHCARO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1 ZINC000096998270 571217609 /nfs/dbraw/zinc/21/76/09/571217609.db2.gz ZDKBCZVZZFZCTG-MRXNPFEDSA-N 1 0 359.901 3.962 50 10 FHCARO COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+]3CCCC[C@H]3CCO)c2)c1 ZINC000020536915 941894861 /nfs/dbraw/zinc/89/48/61/941894861.db2.gz XXWIMXOQONAEKV-SFHVURJKSA-N 1 0 371.477 3.813 50 10 FHCARO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1F ZINC000888101872 948446054 /nfs/dbraw/zinc/44/60/54/948446054.db2.gz QDDVXMAOISBHSF-KPFFTGBYSA-N 1 0 370.468 3.820 50 10 FHCARO O=C(C[C@@H]([NH2+]Cc1ccccc1)c1ccccc1O)NCc1ccccc1 ZINC000000754632 203947992 /nfs/dbraw/zinc/94/79/92/203947992.db2.gz DSSKCJOISIONHW-OAQYLSRUSA-N 1 0 360.457 3.930 50 10 FHCARO Cc1ccc([C@]2(O)C[N+](c3cccc(C)c3C)=C3SCCCN32)cc1 ZINC000003912324 204115897 /nfs/dbraw/zinc/11/58/97/204115897.db2.gz WYWSUPMZUZXHEX-OAQYLSRUSA-N 1 0 353.511 3.783 50 10 FHCARO Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c(O)c1 ZINC000004554078 204147267 /nfs/dbraw/zinc/14/72/67/204147267.db2.gz MSZYWPCMZVGQIO-QGZVFWFLSA-N 1 0 357.479 3.958 50 10 FHCARO COc1ccc(N2CCN([C@H]3CCC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000023375180 136152754 /nfs/dbraw/zinc/15/27/54/136152754.db2.gz DXSVSILYRYXTMA-NRFANRHFSA-N 1 0 357.542 3.614 50 10 FHCARO Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1cc(Cl)ccc1O ZINC000000819088 568296925 /nfs/dbraw/zinc/29/69/25/568296925.db2.gz LROUNQRXRJJNEW-UHFFFAOYSA-N 1 0 358.785 3.966 50 10 FHCARO CCOc1ccc([C@@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCS3)cc1 ZINC000017307543 570748846 /nfs/dbraw/zinc/74/88/46/570748846.db2.gz DZIVFBPEYDXKPB-NRFANRHFSA-N 1 0 369.510 3.564 50 10 FHCARO COc1cccc(O)c1CN1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000020784140 570925079 /nfs/dbraw/zinc/92/50/79/570925079.db2.gz GJWFMMSNZQJSRQ-IBGZPJMESA-N 1 0 354.494 3.540 50 10 FHCARO CCOc1ncccc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000095469448 571330644 /nfs/dbraw/zinc/33/06/44/571330644.db2.gz ZPQGXDBUKSWGBG-LLVKDONJSA-N 1 0 351.244 3.799 50 10 FHCARO Cc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1O ZINC000004554071 204147257 /nfs/dbraw/zinc/14/72/57/204147257.db2.gz WFZIOUOSARXAEG-KRWDZBQOSA-N 1 0 357.479 3.958 50 10 FHCARO CN(C)c1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+](C)C)cc1 ZINC000005097856 204191390 /nfs/dbraw/zinc/19/13/90/204191390.db2.gz GWYODEMSSJWNBO-DSQUVOCVSA-N 1 0 369.553 3.688 50 10 FHCARO O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013646917 204541110 /nfs/dbraw/zinc/54/11/10/204541110.db2.gz IOSGPYPMKCFNPE-UHFFFAOYSA-N 1 0 363.505 3.813 50 10 FHCARO c1ccc([C@@H]2CCC[N@@H+]2C2CCN(c3ccc4c(c3)OCO4)CC2)nc1 ZINC000065493673 205355619 /nfs/dbraw/zinc/35/56/19/205355619.db2.gz CBAPKOVKHXASAE-IBGZPJMESA-N 1 0 351.450 3.616 50 10 FHCARO CCN(CC)c1ccc(/C=C2\CCc3cnc4sc(C)n[n+]4c32)cc1 ZINC000005173910 206189888 /nfs/dbraw/zinc/18/98/88/206189888.db2.gz SQHHAABPGSMOFL-UHFFFAOYSA-N 1 0 351.499 3.918 50 10 FHCARO CN1CCc2cc([C@H](CNC(=O)C3CCCCC3)[NH+]3CCCC3)ccc21 ZINC000008963264 263358196 /nfs/dbraw/zinc/35/81/96/263358196.db2.gz OWJJMBZEMHENAJ-NRFANRHFSA-N 1 0 355.526 3.512 50 10 FHCARO COc1ccc(N2CCC[N@H+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000083947483 524405380 /nfs/dbraw/zinc/40/53/80/524405380.db2.gz ZWIKOSFDCQJHFL-UHFFFAOYSA-N 1 0 360.885 3.940 50 10 FHCARO CC[NH+](CC)CCOC(=O)c1ccc(NCc2cccc(OC)c2O)cc1 ZINC000098212993 570498059 /nfs/dbraw/zinc/49/80/59/570498059.db2.gz IWWQAIUAXUBPBN-UHFFFAOYSA-N 1 0 372.465 3.512 50 10 FHCARO CCOc1ccccc1N1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000004980637 570615764 /nfs/dbraw/zinc/61/57/64/570615764.db2.gz GOOLXMPLDKAKES-BQYQJAHWSA-N 1 0 365.521 3.987 50 10 FHCARO COc1ccc2ccc(O)c(C[NH+]3CCN(Cc4ccsc4)CC3)c2c1 ZINC000022778065 570949647 /nfs/dbraw/zinc/94/96/47/570949647.db2.gz WPPHFJAFDUGNQH-UHFFFAOYSA-N 1 0 368.502 3.933 50 10 FHCARO c1csc([C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)N2CCCC2)c1 ZINC000024981520 570987755 /nfs/dbraw/zinc/98/77/55/570987755.db2.gz AKABPIAPCHSZFB-HXUWFJFHSA-N 1 0 371.550 3.511 50 10 FHCARO Cc1cc(C)c(CN2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)c(O)c1 ZINC000019639079 571326836 /nfs/dbraw/zinc/32/68/36/571326836.db2.gz VVGRLCZTIXVWSF-UHFFFAOYSA-N 1 0 354.494 3.649 50 10 FHCARO CCc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000002684423 206927601 /nfs/dbraw/zinc/92/76/01/206927601.db2.gz CKASAUPBBFCZGA-FQEVSTJZSA-N 1 0 357.474 3.559 50 10 FHCARO COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c1O ZINC000004555219 207027869 /nfs/dbraw/zinc/02/78/69/207027869.db2.gz NRBYVVWJGUGJAE-KRWDZBQOSA-N 1 0 373.478 3.658 50 10 FHCARO c1ccc(-c2nnc3n2CC[N@@H+](Cc2ccc(N4CCCC4)cc2)CC3)cc1 ZINC000011880472 207328288 /nfs/dbraw/zinc/32/82/88/207328288.db2.gz VGMFTRYYFYHOJS-UHFFFAOYSA-N 1 0 373.504 3.604 50 10 FHCARO C[N@H+](CCc1ccccn1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1O ZINC000012149387 207344008 /nfs/dbraw/zinc/34/40/08/207344008.db2.gz PIGQJEQUWOAZJT-UHFFFAOYSA-N 1 0 362.429 3.857 50 10 FHCARO O[C@@]1(c2ccc(Cl)cc2)CN2CCCSC2=[N+]1Cc1ccccc1 ZINC000012580779 207398684 /nfs/dbraw/zinc/39/86/84/207398684.db2.gz DFXYWSWCDKBNAH-LJQANCHMSA-N 1 0 359.902 3.506 50 10 FHCARO CN(C)c1ccc2c(c1)[C@H]([NH+]1CCN(C)CC1)Cc1ccccc1S2 ZINC000075373226 208194758 /nfs/dbraw/zinc/19/47/58/208194758.db2.gz GNEMSMBDWQZUSL-LJQANCHMSA-N 1 0 353.535 3.748 50 10 FHCARO COC(=O)c1oc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1C ZINC000048355825 136123474 /nfs/dbraw/zinc/12/34/74/136123474.db2.gz OXIGGDQSALTNHZ-UHFFFAOYSA-N 1 0 356.466 3.997 50 10 FHCARO CCN1CC[NH+]([C@H](c2cccs2)c2ccc3cccnc3c2O)CC1 ZINC000021486900 570930915 /nfs/dbraw/zinc/93/09/15/570930915.db2.gz VIYYFLSFUIKSSY-IBGZPJMESA-N 1 0 353.491 3.729 50 10 FHCARO Cn1cc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)c([C@H]2CCC[NH2+]C2)n1 ZINC000333320981 571163994 /nfs/dbraw/zinc/16/39/94/571163994.db2.gz UMONSPUSPUDGIM-MAUKXSAKSA-N 1 0 366.509 3.677 50 10 FHCARO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)c1 ZINC000071748928 571164630 /nfs/dbraw/zinc/16/46/30/571164630.db2.gz ZCYHDTPEDVMDDX-QGZVFWFLSA-N 1 0 367.445 3.833 50 10 FHCARO CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)c(C[NH+](C)C)c21 ZINC000001227931 571187601 /nfs/dbraw/zinc/18/76/01/571187601.db2.gz FHUAHZXWMLDGLP-UHFFFAOYSA-N 1 0 352.434 3.883 50 10 FHCARO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2SC)c1 ZINC000328595059 571323667 /nfs/dbraw/zinc/32/36/67/571323667.db2.gz JQDQIAQDMARZLC-LBPRGKRZSA-N 1 0 363.479 3.991 50 10 FHCARO CCOc1cccc(C[N@@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)c1O ZINC000019841364 571327376 /nfs/dbraw/zinc/32/73/76/571327376.db2.gz FXBWUMYZDFNSIT-OAQYLSRUSA-N 1 0 366.505 3.814 50 10 FHCARO CC[NH+](CC)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O ZINC000004350551 207015866 /nfs/dbraw/zinc/01/58/66/207015866.db2.gz KYKCJPKYNHVTLQ-UHFFFAOYSA-N 1 0 360.885 3.860 50 10 FHCARO Cc1ccc2c(c1)sc(C=C1Sc3ccccc3N1C)[n+]2CCO ZINC000004516840 207023985 /nfs/dbraw/zinc/02/39/85/207023985.db2.gz YULIZRIVVHGXPP-UHFFFAOYSA-N 1 0 355.508 3.937 50 10 FHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)ccc2O)N3)C1 ZINC000004556309 207027659 /nfs/dbraw/zinc/02/76/59/207027659.db2.gz UVZRJNYJZNOXHY-HNNXBMFYSA-N 1 0 363.870 3.914 50 10 FHCARO Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005098093 207080363 /nfs/dbraw/zinc/08/03/63/207080363.db2.gz FXVCKLLSPSIEOI-OAQYLSRUSA-N 1 0 351.494 3.628 50 10 FHCARO CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)[NH+](C)C)cc1 ZINC000005097712 207080496 /nfs/dbraw/zinc/08/04/96/207080496.db2.gz VKXJIKGPZLTFBN-QGZVFWFLSA-N 1 0 363.864 3.578 50 10 FHCARO COc1ccc(CC[N@H+](C)C/C=C/c2ccc(N(C)C)cc2)cc1OC ZINC000005393671 207098443 /nfs/dbraw/zinc/09/84/43/207098443.db2.gz OORZVMRCXPCFJG-VOTSOKGWSA-N 1 0 354.494 3.958 50 10 FHCARO CCOc1ccc(NC=c2sc3[s+]c(C(C)=O)c(C)n3c2=O)cc1 ZINC000006844950 207171640 /nfs/dbraw/zinc/17/16/40/207171640.db2.gz UEIXGUAYUAPVTR-UHFFFAOYSA-O 1 0 361.468 3.645 50 10 FHCARO Cc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1-c1ccccc1F ZINC000012585087 207397561 /nfs/dbraw/zinc/39/75/61/207397561.db2.gz SMTTXJSAFUOCCQ-IBGZPJMESA-N 1 0 374.423 3.679 50 10 FHCARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)c1 ZINC000012582997 207398620 /nfs/dbraw/zinc/39/86/20/207398620.db2.gz JWYSABMMTSUXPE-MRXNPFEDSA-N 1 0 355.434 3.504 50 10 FHCARO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1 ZINC000000819229 568296982 /nfs/dbraw/zinc/29/69/82/568296982.db2.gz NPWDEKUFROWYDW-AWEZNQCLSA-N 1 0 350.890 3.516 50 10 FHCARO Oc1cc2c(cc1C[NH+]1CCC(c3nc4ccccc4o3)CC1)OCO2 ZINC000022340315 570943440 /nfs/dbraw/zinc/94/34/40/570943440.db2.gz OPJCMMLNQIYQDY-UHFFFAOYSA-N 1 0 352.390 3.642 50 10 FHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000004124916 571049218 /nfs/dbraw/zinc/04/92/18/571049218.db2.gz DQWUDUSFQFSMHI-QGZVFWFLSA-N 1 0 356.495 3.621 50 10 FHCARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000065498559 571144247 /nfs/dbraw/zinc/14/42/47/571144247.db2.gz DOGHWHKTGIJSKV-GOSISDBHSA-N 1 0 369.465 3.826 50 10 FHCARO CCOC(=O)C[C@H]([NH2+]Cc1cccc(OCC)c1O)c1ccc(C)cc1 ZINC000055211050 571321243 /nfs/dbraw/zinc/32/12/43/571321243.db2.gz YNPNQVYVPMMKGH-SFHVURJKSA-N 1 0 357.450 3.883 50 10 FHCARO CCc1ccc([C@@H](CNC(=O)/C=C\c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000096403012 571335826 /nfs/dbraw/zinc/33/58/26/571335826.db2.gz HZPCFSYKPJFTLN-PNLXHIIUSA-N 1 0 365.521 3.747 50 10 FHCARO CN(C)c1ccc([C@@H](CNC(=O)Nc2cccs2)[NH+]2CCCC2)cc1 ZINC000022418378 571336829 /nfs/dbraw/zinc/33/68/29/571336829.db2.gz GOESNLOYLNBXCN-QGZVFWFLSA-N 1 0 358.511 3.773 50 10 FHCARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)cc1 ZINC000004817168 207051021 /nfs/dbraw/zinc/05/10/21/207051021.db2.gz GMRBPSGIDSVDTP-OAQYLSRUSA-N 1 0 366.509 3.661 50 10 FHCARO CN(C)c1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+](C)C)cc1 ZINC000005097854 207081063 /nfs/dbraw/zinc/08/10/63/207081063.db2.gz GWYODEMSSJWNBO-WWFGTJDESA-N 1 0 369.553 3.688 50 10 FHCARO CCOc1cccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1O ZINC000012432953 207375494 /nfs/dbraw/zinc/37/54/94/207375494.db2.gz VDXFNXKWKICGQF-UHFFFAOYSA-N 1 0 355.478 3.608 50 10 FHCARO COc1ccc2ccc(O)c(C[NH+](C[C@@H]3CCCO3)C[C@@H]3CCCO3)c2c1 ZINC000047404967 208378132 /nfs/dbraw/zinc/37/81/32/208378132.db2.gz KLSNIUBHKUGBJB-OALUTQOASA-N 1 0 371.477 3.714 50 10 FHCARO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000057949365 136130271 /nfs/dbraw/zinc/13/02/71/136130271.db2.gz MDJISZJLBGEJEI-QFIPXVFZSA-N 1 0 368.521 3.857 50 10 FHCARO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000057949342 136130379 /nfs/dbraw/zinc/13/03/79/136130379.db2.gz RQECVMOMMSMUMK-JOCHJYFZSA-N 1 0 368.521 3.857 50 10 FHCARO Cc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008963211 263357898 /nfs/dbraw/zinc/35/78/98/263357898.db2.gz FGWHACXISPNSRS-QFIPXVFZSA-N 1 0 363.505 3.554 50 10 FHCARO CCOc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(C)cc3)C2)cc1 ZINC000002965963 570678469 /nfs/dbraw/zinc/67/84/69/570678469.db2.gz KCLUGMIZMWZPAH-OAQYLSRUSA-N 1 0 369.510 3.564 50 10 FHCARO COc1ccc(C(=O)C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)cc1 ZINC000012984066 571185073 /nfs/dbraw/zinc/18/50/73/571185073.db2.gz ARVXTBCOKMZCDV-UHFFFAOYSA-N 1 0 365.473 3.984 50 10 FHCARO O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c2cc(O)c(O)cc2o1 ZINC000002125029 571278722 /nfs/dbraw/zinc/27/87/22/571278722.db2.gz HIIYTYBSUDUYLJ-UHFFFAOYSA-N 1 0 365.429 3.659 50 10 FHCARO COc1ccc2c(c1)Sc1ccc(OC)cc1[C@H](N1CC[NH+](C)CC1)C2 ZINC000019801798 571327322 /nfs/dbraw/zinc/32/73/22/571327322.db2.gz RSAOZNACNLUFOP-LJQANCHMSA-N 1 0 370.518 3.700 50 10 FHCARO CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)c(O)c1 ZINC000004556425 207027632 /nfs/dbraw/zinc/02/76/32/207027632.db2.gz JDHDLOFZNGPYJB-QGZVFWFLSA-N 1 0 373.478 3.659 50 10 FHCARO Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005098092 207080127 /nfs/dbraw/zinc/08/01/27/207080127.db2.gz FXVCKLLSPSIEOI-NRFANRHFSA-N 1 0 351.494 3.628 50 10 FHCARO Cc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000005098088 207080516 /nfs/dbraw/zinc/08/05/16/207080516.db2.gz OXGNRYXZAWYQHZ-OAQYLSRUSA-N 1 0 351.494 3.628 50 10 FHCARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3O)=NN12 ZINC000010213905 207296326 /nfs/dbraw/zinc/29/63/26/207296326.db2.gz KSDCDKPXHAXVHI-IBGZPJMESA-N 1 0 363.461 3.748 50 10 FHCARO Oc1ccc(-c2ccc3c(c2)OCO3)cc1C[NH2+]CC1(O)CCCCC1 ZINC000012279415 207353680 /nfs/dbraw/zinc/35/36/80/207353680.db2.gz ZNIZEQRLSOPGOE-UHFFFAOYSA-N 1 0 355.434 3.573 50 10 FHCARO CCOc1cccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1O ZINC000019633844 207693288 /nfs/dbraw/zinc/69/32/88/207693288.db2.gz RMMNQDGKPCVEPF-JXMROGBWSA-N 1 0 352.478 3.622 50 10 FHCARO CN(C)c1ccc2c(c1)[C@@H]([NH+]1CCN(C)CC1)Cc1ccccc1S2 ZINC000075373227 208193318 /nfs/dbraw/zinc/19/33/18/208193318.db2.gz GNEMSMBDWQZUSL-IBGZPJMESA-N 1 0 353.535 3.748 50 10 FHCARO Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000004688434 570601140 /nfs/dbraw/zinc/60/11/40/570601140.db2.gz INJWVGOFIKURJC-CPNJWEJPSA-N 1 0 358.401 3.586 50 10 FHCARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3O)C2)c(OC)c1 ZINC000012701257 570756899 /nfs/dbraw/zinc/75/68/99/570756899.db2.gz OOTDKQQRWIQFBH-INIZCTEOSA-N 1 0 355.434 3.504 50 10 FHCARO CCN(CCO)c1ccc(N=[N+]=c2sc3cc(OC)ccc3n2C)cc1 ZINC000016678683 570860584 /nfs/dbraw/zinc/86/05/84/570860584.db2.gz ZZJJYUNNNYLVAR-UHFFFAOYSA-N 1 0 371.486 3.968 50 10 FHCARO CCN1CC[NH+]([C@@H](c2cccs2)c2ccc3cccnc3c2O)CC1 ZINC000021486899 570930827 /nfs/dbraw/zinc/93/08/27/570930827.db2.gz VIYYFLSFUIKSSY-LJQANCHMSA-N 1 0 353.491 3.729 50 10 FHCARO Cc1cc(CNc2nc(CC[NH3+])nc3ccccc32)ccc1N1CCCC1 ZINC000065503419 571144191 /nfs/dbraw/zinc/14/41/91/571144191.db2.gz NDSUQELZVOOEMN-UHFFFAOYSA-N 1 0 361.493 3.652 50 10 FHCARO Cc1ccc(C)c([N+]2=C3SCCCN3[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000003912333 571189770 /nfs/dbraw/zinc/18/97/70/571189770.db2.gz YZACEQIZTHIHSY-FQEVSTJZSA-N 1 0 357.474 3.613 50 10 FHCARO Cc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000003912323 571189811 /nfs/dbraw/zinc/18/98/11/571189811.db2.gz HOPPIGKFNFIZEZ-IBGZPJMESA-N 1 0 359.902 3.819 50 10 FHCARO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCc3sccc3C2)c1O ZINC000014310036 571271941 /nfs/dbraw/zinc/27/19/41/571271941.db2.gz UOQFHPRUJQEVDQ-UHFFFAOYSA-N 1 0 353.443 3.952 50 10 FHCARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cc(Br)ccc1O ZINC000020112224 571327984 /nfs/dbraw/zinc/32/79/84/571327984.db2.gz LBQULXQGPXYUEU-QGZVFWFLSA-N 1 0 373.250 3.880 50 10 FHCARO Cc1ccc([C@]2(O)CN(c3ccccc3C)C3=[N+]2CCCS3)c(C)c1 ZINC000002966088 206949273 /nfs/dbraw/zinc/94/92/73/206949273.db2.gz FSFHWUCUZMGMBV-OAQYLSRUSA-N 1 0 353.511 3.783 50 10 FHCARO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000005098008 207079752 /nfs/dbraw/zinc/07/97/52/207079752.db2.gz UYXHNPVDYVVLRP-HXUWFJFHSA-N 1 0 371.912 3.973 50 10 FHCARO Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1C ZINC000005098029 207080337 /nfs/dbraw/zinc/08/03/37/207080337.db2.gz SJGSKSUEPUUPQL-JOCHJYFZSA-N 1 0 365.521 3.936 50 10 FHCARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3O)=NN12 ZINC000010213906 207297154 /nfs/dbraw/zinc/29/71/54/207297154.db2.gz KSDCDKPXHAXVHI-LJQANCHMSA-N 1 0 363.461 3.748 50 10 FHCARO COc1ccc2c(c1)[C@H](N1CC[NH+](C)CC1)Cc1ccc(F)cc1S2 ZINC000022865460 207823234 /nfs/dbraw/zinc/82/32/34/207823234.db2.gz BDHGVPCSJFFQKK-GOSISDBHSA-N 1 0 358.482 3.830 50 10 FHCARO CCc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000034683391 208105642 /nfs/dbraw/zinc/10/56/42/208105642.db2.gz OJHDBWLVUHDYLE-UHFFFAOYSA-N 1 0 352.478 3.972 50 10 FHCARO C[C@H](NC(=O)Nc1c(F)cccc1F)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000056525521 136127798 /nfs/dbraw/zinc/12/77/98/136127798.db2.gz ZPMFHAITEKEFDQ-AWEZNQCLSA-N 1 0 374.435 3.599 50 10 FHCARO COc1ccc(N2CCN([C@@H]3CCC[N@H+](CCC=C(C)C)C3)CC2)cc1 ZINC000072151678 136142921 /nfs/dbraw/zinc/14/29/21/136142921.db2.gz YPOPDSHBZXRDAF-OAQYLSRUSA-N 1 0 357.542 3.638 50 10 FHCARO Cc1cc(O)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000023385309 136152774 /nfs/dbraw/zinc/15/27/74/136152774.db2.gz IZKNLEKPWXYIKT-UHFFFAOYSA-N 1 0 365.399 3.745 50 10 FHCARO Oc1ccc(Br)cc1CN1CCC([NH+]2CCCCCC2)CC1 ZINC000001167848 570486352 /nfs/dbraw/zinc/48/63/52/570486352.db2.gz VCWPPAHWZDBLEQ-UHFFFAOYSA-N 1 0 367.331 3.995 50 10 FHCARO O[C@]1(c2cccs2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 ZINC000015953401 570848636 /nfs/dbraw/zinc/84/86/36/570848636.db2.gz CHGVSESNVMZAQB-INIZCTEOSA-N 1 0 351.904 3.572 50 10 FHCARO COc1ccc2c(c1)[C@@H](N1CC[NH+](C)CC1)Cc1ccc(F)cc1S2 ZINC000022865485 570951632 /nfs/dbraw/zinc/95/16/32/570951632.db2.gz BDHGVPCSJFFQKK-SFHVURJKSA-N 1 0 358.482 3.830 50 10 FHCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000004124911 571049271 /nfs/dbraw/zinc/04/92/71/571049271.db2.gz DQWUDUSFQFSMHI-KRWDZBQOSA-N 1 0 356.495 3.621 50 10 FHCARO COc1cccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O ZINC000023281686 571071885 /nfs/dbraw/zinc/07/18/85/571071885.db2.gz CJZWQPLUFHFFPM-UHFFFAOYSA-N 1 0 366.383 3.742 50 10 FHCARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000002828212 571311681 /nfs/dbraw/zinc/31/16/81/571311681.db2.gz SFHBUOLLULJPGV-UHFFFAOYSA-N 1 0 352.478 3.653 50 10 FHCARO CN1CCc2cc([C@@H](CNC(=O)c3cccs3)[NH+]3CCCCC3)ccc21 ZINC000013007739 571322950 /nfs/dbraw/zinc/32/29/50/571322950.db2.gz XAVOHFJNVQJDPU-LJQANCHMSA-N 1 0 369.534 3.697 50 10 FHCARO Oc1ccc(Br)cc1CN1CC[NH+](C2CCCCCC2)CC1 ZINC000020435677 941887716 /nfs/dbraw/zinc/88/77/16/941887716.db2.gz PNXZGUZVBFSZKM-UHFFFAOYSA-N 1 0 367.331 3.995 50 10 FHCARO CN1CCc2cc([C@@H](CNC(=O)c3ccccc3)[NH+]3CCCCC3)ccc21 ZINC000013007795 209575324 /nfs/dbraw/zinc/57/53/24/209575324.db2.gz VMUWOXFTMDYDLX-JOCHJYFZSA-N 1 0 363.505 3.636 50 10 FHCARO CCOc1ccc([C@@]2(O)C[N+](c3ccccc3C)=C3SCCCN32)cc1 ZINC000002966070 206948605 /nfs/dbraw/zinc/94/86/05/206948605.db2.gz YTPCSOFQSCEAIV-NRFANRHFSA-N 1 0 369.510 3.564 50 10 FHCARO Cc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005097910 207079997 /nfs/dbraw/zinc/07/99/97/207079997.db2.gz OIZTZKQRXJYBMQ-OAQYLSRUSA-N 1 0 351.494 3.628 50 10 FHCARO COc1cccc(C[NH+]2CCC(N(C(C)=O)c3ccc(C)cc3)CC2)c1O ZINC000034683284 208104072 /nfs/dbraw/zinc/10/40/72/208104072.db2.gz WUWDASUQZDZUSR-UHFFFAOYSA-N 1 0 368.477 3.727 50 10 FHCARO CNC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000095995501 209093569 /nfs/dbraw/zinc/09/35/69/209093569.db2.gz AXILQBQTQIJYOP-QHCPKHFHSA-N 1 0 373.500 3.991 50 10 FHCARO CCc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000002684421 570663221 /nfs/dbraw/zinc/66/32/21/570663221.db2.gz CKASAUPBBFCZGA-HXUWFJFHSA-N 1 0 357.474 3.559 50 10 FHCARO CCOc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(C)cc3)C2)cc1 ZINC000002965960 570678535 /nfs/dbraw/zinc/67/85/35/570678535.db2.gz KCLUGMIZMWZPAH-NRFANRHFSA-N 1 0 369.510 3.564 50 10 FHCARO COc1cccc2c(O)c([C@@H](c3ccccc3)[NH+]3CCN(C)CC3)ccc12 ZINC000020650642 570922448 /nfs/dbraw/zinc/92/24/48/570922448.db2.gz AWGBKCGIRGEGGG-JOCHJYFZSA-N 1 0 362.473 3.891 50 10 FHCARO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc3c(c1)OCCCO3)OCO2 ZINC000012850250 571128589 /nfs/dbraw/zinc/12/85/89/571128589.db2.gz KXUTWNJSZJUBBQ-INIZCTEOSA-N 1 0 369.417 3.619 50 10 FHCARO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1 ZINC000004435028 207020207 /nfs/dbraw/zinc/02/02/07/207020207.db2.gz NPWDEKUFROWYDW-CQSZACIVSA-N 1 0 350.890 3.516 50 10 FHCARO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c1O ZINC000004555220 207027456 /nfs/dbraw/zinc/02/74/56/207027456.db2.gz NRBYVVWJGUGJAE-QGZVFWFLSA-N 1 0 373.478 3.658 50 10 FHCARO CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)[NH+](C)C)cc1 ZINC000005097713 207079958 /nfs/dbraw/zinc/07/99/58/207079958.db2.gz VKXJIKGPZLTFBN-KRWDZBQOSA-N 1 0 363.864 3.578 50 10 FHCARO CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccc2)[NH+]2CCCC2)cc1 ZINC000005097997 207080304 /nfs/dbraw/zinc/08/03/04/207080304.db2.gz VAROVGYSVBUEFF-JOCHJYFZSA-N 1 0 365.521 3.639 50 10 FHCARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)cc3)=NN12 ZINC000010214182 207297380 /nfs/dbraw/zinc/29/73/80/207297380.db2.gz CQGLATIYQAOJMT-FQEVSTJZSA-N 1 0 363.461 3.748 50 10 FHCARO O=C(CCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)N1CCCC1 ZINC000012303629 207355896 /nfs/dbraw/zinc/35/58/96/207355896.db2.gz ZUXNOELDSJQFNS-UHFFFAOYSA-N 1 0 350.890 3.660 50 10 FHCARO COc1ccc2ccc(O)c(C[NH+](C[C@H]3CCCO3)C[C@H]3CCCO3)c2c1 ZINC000047404969 208377948 /nfs/dbraw/zinc/37/79/48/208377948.db2.gz KLSNIUBHKUGBJB-RTBURBONSA-N 1 0 371.477 3.714 50 10 FHCARO COc1ccc(N2CC[N@H+](Cc3nc4ccccc4nc3C)[C@H](C)C2)cc1 ZINC000106961376 132266142 /nfs/dbraw/zinc/26/61/42/132266142.db2.gz UATKCWXRNZOKCF-MRXNPFEDSA-N 1 0 362.477 3.658 50 10 FHCARO CN1CCCc2cc([C@@H](CNC(=O)Nc3ccc(F)cc3)[NH+](C)C)ccc21 ZINC000035597163 136118225 /nfs/dbraw/zinc/11/82/25/136118225.db2.gz KNZCRWQKHUFHOG-HXUWFJFHSA-N 1 0 370.472 3.633 50 10 FHCARO C[C@@H](NC(=O)Nc1c(F)cccc1F)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000056525524 136127836 /nfs/dbraw/zinc/12/78/36/136127836.db2.gz ZPMFHAITEKEFDQ-CQSZACIVSA-N 1 0 374.435 3.599 50 10 FHCARO COc1cccc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c1O ZINC000019774553 263376137 /nfs/dbraw/zinc/37/61/37/263376137.db2.gz NNJIUQHNVBUKHY-FQEVSTJZSA-N 1 0 354.494 3.540 50 10 FHCARO COc1cccc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1O ZINC000019774551 263376458 /nfs/dbraw/zinc/37/64/58/263376458.db2.gz NNJIUQHNVBUKHY-HXUWFJFHSA-N 1 0 354.494 3.540 50 10 FHCARO COC(=O)c1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)cc1 ZINC000025476898 570996400 /nfs/dbraw/zinc/99/64/00/570996400.db2.gz GAPRUPVDKOSGLU-UHFFFAOYSA-N 1 0 357.450 3.814 50 10 FHCARO CCCN(CCC)c1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000001432055 571076031 /nfs/dbraw/zinc/07/60/31/571076031.db2.gz YJEYLKCKKDRINS-IBGZPJMESA-N 1 0 362.481 3.950 50 10 FHCARO Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008963387 571083811 /nfs/dbraw/zinc/08/38/11/571083811.db2.gz QQYBGYMJGKCDNA-QFIPXVFZSA-N 1 0 363.505 3.554 50 10 FHCARO COc1ccc2c(c1)sc(=[N+]=NN=c1sc3ccccc3n1C)n2C ZINC000004773287 571131792 /nfs/dbraw/zinc/13/17/92/571131792.db2.gz IKSWKHGMVNDLSF-UHFFFAOYSA-N 1 0 370.483 3.887 50 10 FHCARO CC(C)[C@H]1C[N@H+](Cc2ccccc2O)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071745889 571164412 /nfs/dbraw/zinc/16/44/12/571164412.db2.gz KFHMOTJEVPMSGJ-HXUWFJFHSA-N 1 0 370.468 3.790 50 10 FHCARO NC(=O)[C@H]1CCC[N@H+](CCC=C2c3ccccc3CCc3ccccc32)C1 ZINC000196922999 571310197 /nfs/dbraw/zinc/31/01/97/571310197.db2.gz BNJRGBGMOJJNOQ-FQEVSTJZSA-N 1 0 360.501 3.804 50 10 FHCARO CC1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000000819231 206834601 /nfs/dbraw/zinc/83/46/01/206834601.db2.gz XYIOBKRLMFIEOX-UHFFFAOYSA-N 1 0 350.890 3.516 50 10 FHCARO Cc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000003912322 206996456 /nfs/dbraw/zinc/99/64/56/206996456.db2.gz HOPPIGKFNFIZEZ-LJQANCHMSA-N 1 0 359.902 3.819 50 10 FHCARO Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000004323017 207013540 /nfs/dbraw/zinc/01/35/40/207013540.db2.gz YOFFQNVGVWUJRB-QFIPXVFZSA-N 1 0 365.521 3.936 50 10 FHCARO Cc1cc(C)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000004323018 207013607 /nfs/dbraw/zinc/01/36/07/207013607.db2.gz YOFFQNVGVWUJRB-JOCHJYFZSA-N 1 0 365.521 3.936 50 10 FHCARO Cc1ccc(O)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1 ZINC000004553996 207027771 /nfs/dbraw/zinc/02/77/71/207027771.db2.gz WGKYPIFZIFRCJG-KRWDZBQOSA-N 1 0 357.479 3.958 50 10 FHCARO COc1ccc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)c(O)c1 ZINC000011935006 207331509 /nfs/dbraw/zinc/33/15/09/207331509.db2.gz KORYKXOEDOMMJP-UHFFFAOYSA-N 1 0 369.505 3.998 50 10 FHCARO CN1CCCc2cc([C@H](CNC(=O)Nc3ccc(F)cc3)[NH+](C)C)ccc21 ZINC000035597164 536131188 /nfs/dbraw/zinc/13/11/88/536131188.db2.gz KNZCRWQKHUFHOG-FQEVSTJZSA-N 1 0 370.472 3.633 50 10 FHCARO COc1ccc(N2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)cc1 ZINC000003682101 536693277 /nfs/dbraw/zinc/69/32/77/536693277.db2.gz JDRVEWZOFXHYTA-SNAWJCMRSA-N 1 0 351.494 3.597 50 10 FHCARO COc1ccc(N2CCN(c3cc(C)[nH+]c4ccc(OC)cc43)CC2)cc1 ZINC000005688770 570815203 /nfs/dbraw/zinc/81/52/03/570815203.db2.gz QIZKKBWPVZSWAD-UHFFFAOYSA-N 1 0 363.461 3.887 50 10 FHCARO Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008963388 571083939 /nfs/dbraw/zinc/08/39/39/571083939.db2.gz QQYBGYMJGKCDNA-JOCHJYFZSA-N 1 0 363.505 3.554 50 10 FHCARO CCOc1cccc(C[NH2+][C@H]2CCCN(Cc3cccc(OC)c3)C2)c1O ZINC000020515635 941891711 /nfs/dbraw/zinc/89/17/11/941891711.db2.gz RLEBJTSEOAWJJS-IBGZPJMESA-N 1 0 370.493 3.554 50 10 FHCARO COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)c(C[NH+](C)C)c32)cc1 ZINC000000977849 210296863 /nfs/dbraw/zinc/29/68/63/210296863.db2.gz ONEHBQPFNTXVHM-UHFFFAOYSA-N 1 0 355.394 3.623 50 10 FHCARO CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCC[NH+](CC)CC ZINC000096602832 222125734 /nfs/dbraw/zinc/12/57/34/222125734.db2.gz DTLZHJPFEXXOSH-OBGWFSINSA-N 1 0 360.477 3.534 50 10 FHCARO CN1CCCc2cc([C@@H](CNC(=O)c3ccco3)[NH+]3CCCCC3)ccc21 ZINC000009137676 536397553 /nfs/dbraw/zinc/39/75/53/536397553.db2.gz FQHFTYJSFFWSHE-HXUWFJFHSA-N 1 0 367.493 3.619 50 10 FHCARO CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000005098009 571101304 /nfs/dbraw/zinc/10/13/04/571101304.db2.gz UYXHNPVDYVVLRP-FQEVSTJZSA-N 1 0 371.912 3.973 50 10 FHCARO CNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000095995502 571333635 /nfs/dbraw/zinc/33/36/35/571333635.db2.gz AXILQBQTQIJYOP-HSZRJFAPSA-N 1 0 373.500 3.991 50 10 FHCARO Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000022777280 211363286 /nfs/dbraw/zinc/36/32/86/211363286.db2.gz HBIPRMIDSVNYMO-UHFFFAOYSA-N 1 0 374.484 3.798 50 10 FHCARO O=C(Nc1nccs1)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000057088008 221084116 /nfs/dbraw/zinc/08/41/16/221084116.db2.gz LPCUXPDMNZEHNH-UHFFFAOYSA-N 1 0 367.474 3.853 50 10 FHCARO CCOc1cccc(C[N@@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)c1O ZINC000019841368 521341737 /nfs/dbraw/zinc/34/17/37/521341737.db2.gz FXBWUMYZDFNSIT-NRFANRHFSA-N 1 0 366.505 3.814 50 10 FHCARO CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000005098047 570584662 /nfs/dbraw/zinc/58/46/62/570584662.db2.gz YPMBXLLYOFUNRU-FQEVSTJZSA-N 1 0 371.912 3.973 50 10 FHCARO Cc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1 ZINC000002965997 570678674 /nfs/dbraw/zinc/67/86/74/570678674.db2.gz HTVIRPDZJZOEAN-IBGZPJMESA-N 1 0 359.902 3.819 50 10 FHCARO Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1C ZINC000005098028 571101285 /nfs/dbraw/zinc/10/12/85/571101285.db2.gz SJGSKSUEPUUPQL-QFIPXVFZSA-N 1 0 365.521 3.936 50 10 FHCARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000004700552 571166795 /nfs/dbraw/zinc/16/67/95/571166795.db2.gz CZIRBAKTYHMDHS-UHFFFAOYSA-N 1 0 372.896 3.882 50 10 FHCARO CCOC(=O)C[C@@H]([NH2+]Cc1cccc(OCC)c1O)c1ccc(C)cc1 ZINC000055211051 571321271 /nfs/dbraw/zinc/32/12/71/571321271.db2.gz YNPNQVYVPMMKGH-GOSISDBHSA-N 1 0 357.450 3.883 50 10 FHCARO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000096998274 222148831 /nfs/dbraw/zinc/14/88/31/222148831.db2.gz ZDKBCZVZZFZCTG-INIZCTEOSA-N 1 0 359.901 3.962 50 10 FHCARO COc1ccc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCCCC2)c(OC)c1 ZINC000006404020 570646665 /nfs/dbraw/zinc/64/66/65/570646665.db2.gz BNQXLOJQVMOCHF-NRFANRHFSA-N 1 0 371.433 3.713 50 10 FHCARO COc1ccc(N2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)cc1 ZINC000032825164 570816561 /nfs/dbraw/zinc/81/65/61/570816561.db2.gz DSDDFOQWZNUSJN-UHFFFAOYSA-N 1 0 351.425 3.705 50 10 FHCARO COc1ccc(OC)c2c1C[N@H+](Cc1c(O)ccc3ccccc31)C[C@H]2O ZINC000029543385 571041647 /nfs/dbraw/zinc/04/16/47/571041647.db2.gz AIRPGKLQFSHMOD-LJQANCHMSA-N 1 0 365.429 3.612 50 10 FHCARO CCOC(=O)C1CC[NH+](Cc2cc3c(cc2O)[nH]c2ccccc23)CC1 ZINC000009513393 571111679 /nfs/dbraw/zinc/11/16/79/571111679.db2.gz CRDHFPNONXXBBZ-UHFFFAOYSA-N 1 0 352.434 3.802 50 10 FHCARO O=C(C[C@H]([NH2+]Cc1ccccc1)c1ccccc1O)NCc1ccccc1 ZINC000000754631 210268002 /nfs/dbraw/zinc/26/80/02/210268002.db2.gz DSSKCJOISIONHW-NRFANRHFSA-N 1 0 360.457 3.930 50 10 FHCARO CC(C)[C@@H]1C[N@H+](Cc2ccccc2O)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071745888 221358465 /nfs/dbraw/zinc/35/84/65/221358465.db2.gz KFHMOTJEVPMSGJ-FQEVSTJZSA-N 1 0 370.468 3.790 50 10 FHCARO Cc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1 ZINC000002965999 570678664 /nfs/dbraw/zinc/67/86/64/570678664.db2.gz HTVIRPDZJZOEAN-LJQANCHMSA-N 1 0 359.902 3.819 50 10 FHCARO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c1 ZINC000012058058 570715913 /nfs/dbraw/zinc/71/59/13/570715913.db2.gz ACNSACAFQDCKCJ-CYBMUJFWSA-N 1 0 361.388 3.774 50 10 FHCARO COc1ccc(O)c(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 ZINC000012373215 570740002 /nfs/dbraw/zinc/74/00/02/570740002.db2.gz JUGLVCNPMOBOIT-CYBMUJFWSA-N 1 0 355.413 3.885 50 10 FHCARO O[C@]1(c2ccc(Cl)cc2)CN2CCCSC2=[N+]1Cc1ccccc1 ZINC000012580785 570751479 /nfs/dbraw/zinc/75/14/79/570751479.db2.gz DFXYWSWCDKBNAH-IBGZPJMESA-N 1 0 359.902 3.506 50 10 FHCARO Cc1cc(C[NH2+][C@H](C)Cn2ccnc2)c(C)n1-c1ccc(F)c(F)c1F ZINC000030909670 571052571 /nfs/dbraw/zinc/05/25/71/571052571.db2.gz RBAPMROPZIOBQA-GFCCVEGCSA-N 1 0 362.399 3.886 50 10 FHCARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(O)cc3)=NN12 ZINC000010214187 571123716 /nfs/dbraw/zinc/12/37/16/571123716.db2.gz CQGLATIYQAOJMT-HXUWFJFHSA-N 1 0 363.461 3.748 50 10 FHCARO Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(F)cc3)C2)c1C ZINC000003912327 571189865 /nfs/dbraw/zinc/18/98/65/571189865.db2.gz UXGWSYOODXWETL-FQEVSTJZSA-N 1 0 357.474 3.613 50 10 FHCARO CN(C)c1ccc(/C=C/C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000029563002 571342706 /nfs/dbraw/zinc/34/27/06/571342706.db2.gz OWWQMKJDPPKFKS-JLHYYAGUSA-N 1 0 363.505 3.547 50 10 FHCARO CCOc1cccc(C[NH2+][C@@H]2CCCN(Cc3cccc(OC)c3)C2)c1O ZINC000020515631 941891645 /nfs/dbraw/zinc/89/16/45/941891645.db2.gz RLEBJTSEOAWJJS-LJQANCHMSA-N 1 0 370.493 3.554 50 10 FHCARO CC[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000012935492 211010569 /nfs/dbraw/zinc/01/05/69/211010569.db2.gz LHXUNQCNEGPLTG-CQSZACIVSA-N 1 0 350.256 3.919 50 10 FHCARO Cc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C)CC2)c1 ZINC000010214019 210342140 /nfs/dbraw/zinc/34/21/40/210342140.db2.gz SBPXKELEWWZYDF-LJQANCHMSA-N 1 0 363.461 3.666 50 10 FHCARO Oc1ccccc1CNc1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000000809665 210274711 /nfs/dbraw/zinc/27/47/11/210274711.db2.gz VIGMYCZZSBRQGU-UHFFFAOYSA-N 1 0 350.466 3.840 50 10 FHCARO c1ccc([C@H]2CCC[N@@H+]2C2CCN(c3ccc4c(c3)OCO4)CC2)nc1 ZINC000065493676 221225079 /nfs/dbraw/zinc/22/50/79/221225079.db2.gz CBAPKOVKHXASAE-LJQANCHMSA-N 1 0 351.450 3.616 50 10 FHCARO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000057949345 136130263 /nfs/dbraw/zinc/13/02/63/136130263.db2.gz RQECVMOMMSMUMK-QFIPXVFZSA-N 1 0 368.521 3.857 50 10 FHCARO CN1CCc2cc([C@@H](CNC(=O)C3CCCCC3)[NH+]3CCCC3)ccc21 ZINC000008963263 263358184 /nfs/dbraw/zinc/35/81/84/263358184.db2.gz OWJJMBZEMHENAJ-OAQYLSRUSA-N 1 0 355.526 3.512 50 10 FHCARO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000005097913 570584620 /nfs/dbraw/zinc/58/46/20/570584620.db2.gz IWFBVGPFJPPTNO-FQEVSTJZSA-N 1 0 371.912 3.973 50 10 FHCARO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c1 ZINC000012058059 570716063 /nfs/dbraw/zinc/71/60/63/570716063.db2.gz ACNSACAFQDCKCJ-ZDUSSCGKSA-N 1 0 361.388 3.774 50 10 FHCARO COc1ccc2ccc(O)c(C[N@H+](C[C@H]3CCCO3)C[C@@H]3CCCO3)c2c1 ZINC000047404968 570887838 /nfs/dbraw/zinc/88/78/38/570887838.db2.gz KLSNIUBHKUGBJB-KDURUIRLSA-N 1 0 371.477 3.714 50 10 FHCARO COc1ccc(OC)c2c1C[N@H+](Cc1c(O)ccc3ccccc31)C[C@@H]2O ZINC000029543384 571041567 /nfs/dbraw/zinc/04/15/67/571041567.db2.gz AIRPGKLQFSHMOD-IBGZPJMESA-N 1 0 365.429 3.612 50 10 FHCARO Cc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000005098087 571101273 /nfs/dbraw/zinc/10/12/73/571101273.db2.gz OXGNRYXZAWYQHZ-NRFANRHFSA-N 1 0 351.494 3.628 50 10 FHCARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000005097675 571101351 /nfs/dbraw/zinc/10/13/51/571101351.db2.gz FJDZAIRDCCTQQL-NRFANRHFSA-N 1 0 369.509 3.573 50 10 FHCARO CC[NH+](CC)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000003628866 571186114 /nfs/dbraw/zinc/18/61/14/571186114.db2.gz FAVQYZSIVLMDQT-SSZFMOIBSA-N 1 0 364.536 3.628 50 10 FHCARO Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1-c1ccccc1F ZINC000012585083 571186757 /nfs/dbraw/zinc/18/67/57/571186757.db2.gz SMTTXJSAFUOCCQ-LJQANCHMSA-N 1 0 374.423 3.679 50 10 FHCARO CCOc1ccc([C@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCS3)cc1 ZINC000017307545 211184182 /nfs/dbraw/zinc/18/41/82/211184182.db2.gz DZIVFBPEYDXKPB-OAQYLSRUSA-N 1 0 369.510 3.564 50 10 FHCARO Oc1ccc(Cl)cc1[C@@H]1CC(c2ccccc2)=NC2(CC[NH2+]CC2)N1 ZINC000065297969 221197566 /nfs/dbraw/zinc/19/75/66/221197566.db2.gz FBIHEUDALQQGRL-SFHVURJKSA-N 1 0 355.869 3.649 50 10 FHCARO COc1cccc(O)c1CN1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000020784137 526212486 /nfs/dbraw/zinc/21/24/86/526212486.db2.gz GJWFMMSNZQJSRQ-LJQANCHMSA-N 1 0 354.494 3.540 50 10 FHCARO COc1cccc(O)c1C[NH2+][C@H]1CCCN(CCCc2ccccc2)C1 ZINC000019794407 526213215 /nfs/dbraw/zinc/21/32/15/526213215.db2.gz JXEGLLNCSCGTJV-IBGZPJMESA-N 1 0 354.494 3.588 50 10 FHCARO C[NH+]1CCN(c2ccc(CNC(=O)c3csc4ccccc34)cc2)CC1 ZINC000004362573 570586832 /nfs/dbraw/zinc/58/68/32/570586832.db2.gz GUAGSUJVKKJORF-UHFFFAOYSA-N 1 0 365.502 3.583 50 10 FHCARO Cc1oc2ccc(O)c(C[NH+](C)C)c2c1C(=O)OCCc1ccccc1 ZINC000005182753 570629866 /nfs/dbraw/zinc/62/98/66/570629866.db2.gz CVAIYCJYLOLWOH-UHFFFAOYSA-N 1 0 353.418 3.908 50 10 FHCARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(OC)c1O ZINC000004679270 571158934 /nfs/dbraw/zinc/15/89/34/571158934.db2.gz MFMNVCAEMDNOJK-UHFFFAOYSA-N 1 0 371.412 3.662 50 10 FHCARO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](c3nc4cccnc4n3C)C2)cc1 ZINC000065285294 571260063 /nfs/dbraw/zinc/26/00/63/571260063.db2.gz LSCBEHSSWHIICF-GOSISDBHSA-N 1 0 363.509 3.804 50 10 FHCARO CCCN(CCC)c1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000001432056 210353665 /nfs/dbraw/zinc/35/36/65/210353665.db2.gz YJEYLKCKKDRINS-LJQANCHMSA-N 1 0 362.481 3.950 50 10 FHCARO Oc1ccccc1C[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095380880 570458850 /nfs/dbraw/zinc/45/88/50/570458850.db2.gz SSCZQQFDIVJARL-MTNREXPMSA-N 1 0 370.443 3.733 50 10 FHCARO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000005097676 570584574 /nfs/dbraw/zinc/58/45/74/570584574.db2.gz FJDZAIRDCCTQQL-OAQYLSRUSA-N 1 0 369.509 3.573 50 10 FHCARO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000005097873 570676477 /nfs/dbraw/zinc/67/64/77/570676477.db2.gz FSRBJBGJTJNYQQ-GOSISDBHSA-N 1 0 360.889 3.830 50 10 FHCARO C[C@H]1C(O)[C@H](C)[C@H](c2ccc(N(C)C)cc2)[NH2+][C@H]1c1ccc(N(C)C)cc1 ZINC000248063662 571074968 /nfs/dbraw/zinc/07/49/68/571074968.db2.gz QTSVDXZTCFEZTA-AHWCRGGASA-N 1 0 367.537 3.837 50 10 FHCARO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc3c(c1)OCCCO3)OCO2 ZINC000012850243 571128632 /nfs/dbraw/zinc/12/86/32/571128632.db2.gz KXUTWNJSZJUBBQ-MRXNPFEDSA-N 1 0 369.417 3.619 50 10 FHCARO CCCn1c2ncccc2nc1[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000065285362 571259997 /nfs/dbraw/zinc/25/99/97/571259997.db2.gz FYSQEBCERIHJGT-SFHVURJKSA-N 1 0 363.509 3.897 50 10 FHCARO CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3)[NH+]3CCCC3)ccc21 ZINC000016838244 571273013 /nfs/dbraw/zinc/27/30/13/571273013.db2.gz YDDMCNIQJPDNAR-JOCHJYFZSA-N 1 0 363.505 3.636 50 10 FHCARO COc1cccc2c(O)c([C@H](c3ccccc3)[NH+]3CCN(C)CC3)ccc12 ZINC000020650640 211290797 /nfs/dbraw/zinc/29/07/97/211290797.db2.gz AWGBKCGIRGEGGG-QFIPXVFZSA-N 1 0 362.473 3.891 50 10 FHCARO Oc1ccc2ccccc2c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000014184716 211082356 /nfs/dbraw/zinc/08/23/56/211082356.db2.gz QVDPKBCJZGLPIV-UHFFFAOYSA-N 1 0 358.445 3.968 50 10 FHCARO COc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1OC ZINC000048745516 136123709 /nfs/dbraw/zinc/12/37/09/136123709.db2.gz HNJCLCSHJWXKSP-UHFFFAOYSA-N 1 0 358.507 3.547 50 10 FHCARO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(F)c2)[NH+]2CCCC2)cc1 ZINC000005097984 570584603 /nfs/dbraw/zinc/58/46/03/570584603.db2.gz LHGOWBYQEFKTRY-FQEVSTJZSA-N 1 0 373.447 3.598 50 10 FHCARO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(F)c2)[NH+]2CCCC2)cc1 ZINC000005097983 570584612 /nfs/dbraw/zinc/58/46/12/570584612.db2.gz LHGOWBYQEFKTRY-HXUWFJFHSA-N 1 0 373.447 3.598 50 10 FHCARO c1csc([C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)N2CCCC2)c1 ZINC000024981510 570987899 /nfs/dbraw/zinc/98/78/99/570987899.db2.gz AKABPIAPCHSZFB-FQEVSTJZSA-N 1 0 371.550 3.511 50 10 FHCARO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(O)c(C[NH+](C)C)c21 ZINC000038495230 571085394 /nfs/dbraw/zinc/08/53/94/571085394.db2.gz FBGWGRVIRWPLGR-UHFFFAOYSA-N 1 0 366.461 3.942 50 10 FHCARO CCCn1c2ncccc2nc1[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000065285361 571260072 /nfs/dbraw/zinc/26/00/72/571260072.db2.gz FYSQEBCERIHJGT-GOSISDBHSA-N 1 0 363.509 3.897 50 10 FHCARO COc1cccc(N2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)c1 ZINC000023280236 939962973 /nfs/dbraw/zinc/96/29/73/939962973.db2.gz BCZHWBRVXNFEQL-AATRIKPKSA-N 1 0 351.494 3.597 50 10 FHCARO COc1cccc(-c2ccc(O)c(C[NH2+]CCc3ccccc3F)c2)n1 ZINC000014974278 220139308 /nfs/dbraw/zinc/13/93/08/220139308.db2.gz PRQLGTDSVKICGE-UHFFFAOYSA-N 1 0 352.409 3.934 50 10 FHCARO CCN(CC)c1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000055292121 535684987 /nfs/dbraw/zinc/68/49/87/535684987.db2.gz ICBYBOAKIFQBAU-UHFFFAOYSA-N 1 0 353.510 3.864 50 10 FHCARO Cc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005097909 570584559 /nfs/dbraw/zinc/58/45/59/570584559.db2.gz OIZTZKQRXJYBMQ-NRFANRHFSA-N 1 0 351.494 3.628 50 10 FHCARO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000006322911 570645359 /nfs/dbraw/zinc/64/53/59/570645359.db2.gz IVQOJYDAWNDICE-UHFFFAOYSA-N 1 0 358.869 3.574 50 10 FHCARO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3OC)C2)c1O ZINC000011932982 570711847 /nfs/dbraw/zinc/71/18/47/570711847.db2.gz OPOKDGFSSQDKQH-MRXNPFEDSA-N 1 0 369.461 3.894 50 10 FHCARO C[C@H]1[C@H](O)[C@H](C)[C@@H](c2ccc(N(C)C)cc2)[NH2+][C@H]1c1ccc(N(C)C)cc1 ZINC000248063667 571074974 /nfs/dbraw/zinc/07/49/74/571074974.db2.gz QTSVDXZTCFEZTA-ORDITMOKSA-N 1 0 367.537 3.837 50 10 FHCARO Cc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008963384 571083960 /nfs/dbraw/zinc/08/39/60/571083960.db2.gz UUUMTIWNTFFRCW-JOCHJYFZSA-N 1 0 363.505 3.554 50 10 FHCARO Cc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C)CC2)c1 ZINC000010214015 571123622 /nfs/dbraw/zinc/12/36/22/571123622.db2.gz SBPXKELEWWZYDF-IBGZPJMESA-N 1 0 363.461 3.666 50 10 FHCARO CN1CCc2cc([C@H](CNC(=O)Nc3cccc(Cl)c3)[NH+](C)C)ccc21 ZINC000035597198 571182616 /nfs/dbraw/zinc/18/26/16/571182616.db2.gz BYEQMDYKDBIRKC-IBGZPJMESA-N 1 0 372.900 3.757 50 10 FHCARO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](c3nc4cccnc4n3C)C2)cc1 ZINC000065285293 571260090 /nfs/dbraw/zinc/26/00/90/571260090.db2.gz LSCBEHSSWHIICF-SFHVURJKSA-N 1 0 363.509 3.804 50 10 FHCARO CCOc1ncccc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000095469447 571330689 /nfs/dbraw/zinc/33/06/89/571330689.db2.gz ZPQGXDBUKSWGBG-NSHDSACASA-N 1 0 351.244 3.799 50 10 FHCARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cc(Cl)ccc1O ZINC000000819141 219326186 /nfs/dbraw/zinc/32/61/86/219326186.db2.gz OBWTWXWWNYWHDH-UHFFFAOYSA-N 1 0 357.797 3.787 50 10 FHCARO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3O)C2)c1 ZINC000012595037 220011425 /nfs/dbraw/zinc/01/14/25/220011425.db2.gz REKMWRWPKPTDFJ-QGZVFWFLSA-N 1 0 355.434 3.504 50 10 FHCARO CN1CCc2cc([C@H](CNC(=O)c3cccs3)[NH+]3CCCCC3)ccc21 ZINC000013007741 220052650 /nfs/dbraw/zinc/05/26/50/220052650.db2.gz XAVOHFJNVQJDPU-IBGZPJMESA-N 1 0 369.534 3.697 50 10 FHCARO Oc1ccc(Br)cc1C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000058441065 221120997 /nfs/dbraw/zinc/12/09/97/221120997.db2.gz YMYOSVMQUUTZLY-UHFFFAOYSA-N 1 0 372.266 3.689 50 10 FHCARO COc1cccc(O)c1C[NH2+][C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000019794406 526212640 /nfs/dbraw/zinc/21/26/40/526212640.db2.gz JXEGLLNCSCGTJV-LJQANCHMSA-N 1 0 354.494 3.588 50 10 FHCARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000034683220 570532230 /nfs/dbraw/zinc/53/22/30/570532230.db2.gz YXJOKHYQPFPUMD-UHFFFAOYSA-N 1 0 368.477 3.808 50 10 FHCARO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000005097874 570676417 /nfs/dbraw/zinc/67/64/17/570676417.db2.gz FSRBJBGJTJNYQQ-SFHVURJKSA-N 1 0 360.889 3.830 50 10 FHCARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](Cc2ccccc2O)CC1 ZINC000011843775 570710010 /nfs/dbraw/zinc/71/00/10/570710010.db2.gz QIUDWZPLQGLNSQ-UHFFFAOYSA-N 1 0 371.452 3.919 50 10 FHCARO Cc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1O ZINC000004554072 570833669 /nfs/dbraw/zinc/83/36/69/570833669.db2.gz WFZIOUOSARXAEG-QGZVFWFLSA-N 1 0 357.479 3.958 50 10 FHCARO Cc1nc(CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cs1 ZINC000030002891 571045534 /nfs/dbraw/zinc/04/55/34/571045534.db2.gz ZQXOCANQXYDTTF-UHFFFAOYSA-N 1 0 353.491 3.628 50 10 FHCARO C[NH+](C)CCCN1C(=O)/C(=C\c2ccc3ccccc3c2)SC1=S ZINC000012912839 220042128 /nfs/dbraw/zinc/04/21/28/220042128.db2.gz ZUYCIWIXKRDRTN-GHRIWEEISA-N 1 0 356.516 3.993 50 10 FHCARO Cc1oc2ccc(O)c(C[NH+]3CCCC3)c2c1C(=O)NCc1ccccc1 ZINC000005182486 570629948 /nfs/dbraw/zinc/62/99/48/570629948.db2.gz CYFBNUNZUQSAIU-UHFFFAOYSA-N 1 0 364.445 3.973 50 10 FHCARO CCOC(=O)C1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000032855938 570822150 /nfs/dbraw/zinc/82/21/50/570822150.db2.gz KPWTUKXHYJNJNL-UHFFFAOYSA-N 1 0 357.450 3.792 50 10 FHCARO Cc1ccc(O)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1 ZINC000004553997 570833788 /nfs/dbraw/zinc/83/37/88/570833788.db2.gz WGKYPIFZIFRCJG-QGZVFWFLSA-N 1 0 357.479 3.958 50 10 FHCARO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)c(O)c1 ZINC000004556424 570834748 /nfs/dbraw/zinc/83/47/48/570834748.db2.gz JDHDLOFZNGPYJB-KRWDZBQOSA-N 1 0 373.478 3.659 50 10 FHCARO Cc1cc(C(=O)CN(C)C2CC[NH+](C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000003277458 571178391 /nfs/dbraw/zinc/17/83/91/571178391.db2.gz YNSUKKKBRKZWJI-UHFFFAOYSA-N 1 0 373.928 3.956 50 10 FHCARO C[C@@H]1[N+](c2ccccc2)=C2SCCCN2[C@@]1(O)c1ccc(Cl)cc1 ZINC000003208765 571345493 /nfs/dbraw/zinc/34/54/93/571345493.db2.gz XHQCDOLSMDCJNE-LIRRHRJNSA-N 1 0 359.902 3.899 50 10 FHCARO CC[NH+]1CCC(CNC(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 ZINC000058431670 221119364 /nfs/dbraw/zinc/11/93/64/221119364.db2.gz XYWUGSRNJYLAKP-UHFFFAOYSA-N 1 0 357.473 3.695 50 10 FHCARO COc1ccc(O)c(C[NH+]2CCN(c3nc4ccccc4cc3C)CC2)c1 ZINC000065525950 221229311 /nfs/dbraw/zinc/22/93/11/221229311.db2.gz RGTPUJMELAIAPN-UHFFFAOYSA-N 1 0 363.461 3.580 50 10 FHCARO CCCN(CCC)CN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000033908411 263397357 /nfs/dbraw/zinc/39/73/57/263397357.db2.gz WITDGCSPBMTFDF-LGMDPLHJSA-N 1 0 361.511 3.868 50 10 FHCARO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2SC)c1 ZINC000328595058 534203363 /nfs/dbraw/zinc/20/33/63/534203363.db2.gz JQDQIAQDMARZLC-GFCCVEGCSA-N 1 0 363.479 3.991 50 10 FHCARO CCOc1cccc(C[NH2+]CCc2c(C)[nH]c3ccc(OC)cc32)c1O ZINC000002513590 570523185 /nfs/dbraw/zinc/52/31/85/570523185.db2.gz UCRNHOZONXNKRZ-UHFFFAOYSA-N 1 0 354.450 3.922 50 10 FHCARO Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c(O)c1 ZINC000004554076 570833512 /nfs/dbraw/zinc/83/35/12/570833512.db2.gz MSZYWPCMZVGQIO-KRWDZBQOSA-N 1 0 357.479 3.958 50 10 FHCARO Cn1cc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)c([C@H]2CCC[NH2+]C2)n1 ZINC000333320983 571164023 /nfs/dbraw/zinc/16/40/23/571164023.db2.gz UMONSPUSPUDGIM-YJBOKZPZSA-N 1 0 366.509 3.677 50 10 FHCARO Oc1c(C[NH+]2CCN(c3ccccn3)CC2)cc(Cl)c2ccccc12 ZINC000007778187 571288642 /nfs/dbraw/zinc/28/86/42/571288642.db2.gz XYCJAINYKWVZRK-UHFFFAOYSA-N 1 0 353.853 3.916 50 10 FHCARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000007984402 571358080 /nfs/dbraw/zinc/35/80/80/571358080.db2.gz WODUELYEFIQMBX-UHFFFAOYSA-N 1 0 370.493 3.993 50 10 FHCARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)c1 ZINC000012583003 220009599 /nfs/dbraw/zinc/00/95/99/220009599.db2.gz JWYSABMMTSUXPE-INIZCTEOSA-N 1 0 355.434 3.504 50 10 FHCARO COc1ccc2c(c1)Sc1ccc(OC)cc1[C@@H](N1CC[NH+](C)CC1)C2 ZINC000019801801 220297987 /nfs/dbraw/zinc/29/79/87/220297987.db2.gz RSAOZNACNLUFOP-IBGZPJMESA-N 1 0 370.518 3.700 50 10 FHCARO COc1ccc2ccc(O)c(C[NH+]3CCN(Cc4cccs4)CC3)c2c1 ZINC000022794552 220399346 /nfs/dbraw/zinc/39/93/46/220399346.db2.gz PZLZDVRJGQNGKI-UHFFFAOYSA-N 1 0 368.502 3.933 50 10 FHCARO Oc1ccc(Cl)cc1[C@H]1CC(c2ccccc2)=NC2(CC[NH2+]CC2)N1 ZINC000065297971 221197199 /nfs/dbraw/zinc/19/71/99/221197199.db2.gz FBIHEUDALQQGRL-GOSISDBHSA-N 1 0 355.869 3.649 50 10 FHCARO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000065365591 221203696 /nfs/dbraw/zinc/20/36/96/221203696.db2.gz SMPNWQMYVQNODR-UHFFFAOYSA-N 1 0 365.521 3.666 50 10 FHCARO CCc1ccc([C@H](CNC(=O)/C=C\c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000096403013 222120200 /nfs/dbraw/zinc/12/02/00/222120200.db2.gz HZPCFSYKPJFTLN-KLZTUXMASA-N 1 0 365.521 3.747 50 10 FHCARO Cc1ccc([C@@]2(O)CN(c3ccccc3C)C3=[N+]2CCCS3)c(C)c1 ZINC000002966085 570678733 /nfs/dbraw/zinc/67/87/33/570678733.db2.gz FSFHWUCUZMGMBV-NRFANRHFSA-N 1 0 353.511 3.783 50 10 FHCARO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3OC)C2)c1O ZINC000011932983 570711984 /nfs/dbraw/zinc/71/19/84/570711984.db2.gz OPOKDGFSSQDKQH-INIZCTEOSA-N 1 0 369.461 3.894 50 10 FHCARO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccc(Cl)s3)CC1)CCC2 ZINC000023248751 570960994 /nfs/dbraw/zinc/96/09/94/570960994.db2.gz AKHSDFYMQIJPKT-UHFFFAOYSA-N 1 0 362.926 3.914 50 10 FHCARO COC(=O)c1ccc2c(C)cc(/C=C/c3ccc(N(C)C)cc3)[n+](C)c2c1 ZINC000027987892 571337352 /nfs/dbraw/zinc/33/73/52/571337352.db2.gz GYWYVYPAAIBRNU-UHFFFAOYSA-N 1 0 361.465 3.996 50 10 FHCARO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@H]1CC[NH2+]C[C@@H]1F ZINC000888101873 948445872 /nfs/dbraw/zinc/44/58/72/948445872.db2.gz QDDVXMAOISBHSF-POAQFYNOSA-N 1 0 370.468 3.820 50 10 FHCARO CN(C)c1ccc([C@H](CNC(=O)Nc2cccs2)[NH+]2CCCC2)cc1 ZINC000022418379 220385064 /nfs/dbraw/zinc/38/50/64/220385064.db2.gz GOESNLOYLNBXCN-KRWDZBQOSA-N 1 0 358.511 3.773 50 10 FHCARO Cc1cccc(N2CC[NH+](Cc3cc(-c4ncccn4)ccc3O)CC2)c1C ZINC000064024208 221145314 /nfs/dbraw/zinc/14/53/14/221145314.db2.gz YSCZRXKIGAMXFQ-UHFFFAOYSA-N 1 0 374.488 3.788 50 10 FHCARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000065498554 221227347 /nfs/dbraw/zinc/22/73/47/221227347.db2.gz DOGHWHKTGIJSKV-SFHVURJKSA-N 1 0 369.465 3.826 50 10 FHCARO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)c1 ZINC000071748927 221360775 /nfs/dbraw/zinc/36/07/75/221360775.db2.gz ZCYHDTPEDVMDDX-KRWDZBQOSA-N 1 0 367.445 3.833 50 10 FHCARO Cc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008963383 571083766 /nfs/dbraw/zinc/08/37/66/571083766.db2.gz UUUMTIWNTFFRCW-QFIPXVFZSA-N 1 0 363.505 3.554 50 10 FHCARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1 ZINC000004817169 219610481 /nfs/dbraw/zinc/61/04/81/219610481.db2.gz GMRBPSGIDSVDTP-NRFANRHFSA-N 1 0 366.509 3.661 50 10 FHCARO CN(C)c1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000012633322 220015131 /nfs/dbraw/zinc/01/51/31/220015131.db2.gz RHGZUTYJJWDDMD-UHFFFAOYSA-N 1 0 351.494 3.669 50 10 FHCARO COc1ccc2c(c1)C[C@@H](N1CC[NH+](C)CC1)c1cc(OC)ccc1S2 ZINC000019802406 220298925 /nfs/dbraw/zinc/29/89/25/220298925.db2.gz CNYRNWBKXAGLAB-LJQANCHMSA-N 1 0 370.518 3.700 50 10 FHCARO Cc1ccc(N2CC[NH+](Cc3cc(-c4cnccn4)ccc3O)CC2)c(C)c1 ZINC000064058558 221145353 /nfs/dbraw/zinc/14/53/53/221145353.db2.gz IXMRAIWPYVMMFV-UHFFFAOYSA-N 1 0 374.488 3.788 50 10 FHCARO Cc1cccc(C[N@@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)c1O ZINC000067909195 221303923 /nfs/dbraw/zinc/30/39/23/221303923.db2.gz SERAFXNPOFFDAV-UHFFFAOYSA-N 1 0 364.401 3.643 50 10 FHCARO c1nc2ccccc2n1-c1ncccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000020543163 526607120 /nfs/dbraw/zinc/60/71/20/526607120.db2.gz VNWVNLNUVCLXHR-UHFFFAOYSA-N 1 0 356.429 3.645 50 10 FHCARO CN(C)c1ccc([C@H](CNC(=O)CCc2ccccc2)[NH+]2CCCC2)cc1 ZINC000005097998 570584669 /nfs/dbraw/zinc/58/46/69/570584669.db2.gz VAROVGYSVBUEFF-QFIPXVFZSA-N 1 0 365.521 3.639 50 10 FHCARO C[C@H]1[C@H](O)[C@@H](C)[C@H](c2ccc(N(C)C)cc2)[NH2+][C@H]1c1ccc(N(C)C)cc1 ZINC000248063665 571074997 /nfs/dbraw/zinc/07/49/97/571074997.db2.gz QTSVDXZTCFEZTA-AOSFDVDRSA-N 1 0 367.537 3.837 50 10 FHCARO C[C@H]1[C@H](O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)[NH2+][C@H]1c1ccc(N(C)C)cc1 ZINC000248063669 571075034 /nfs/dbraw/zinc/07/50/34/571075034.db2.gz QTSVDXZTCFEZTA-WLPKDZNLSA-N 1 0 367.537 3.837 50 10 FHCARO Cn1cc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333320982 571164040 /nfs/dbraw/zinc/16/40/40/571164040.db2.gz UMONSPUSPUDGIM-QAPCUYQASA-N 1 0 366.509 3.677 50 10 FHCARO CN1CCCc2cc([C@H](CNC(=O)c3ccccc3)[NH+]3CCCC3)ccc21 ZINC000016838246 571272956 /nfs/dbraw/zinc/27/29/56/571272956.db2.gz YDDMCNIQJPDNAR-QFIPXVFZSA-N 1 0 363.505 3.636 50 10 FHCARO C[N@H+](Cc1ccc(Br)s1)Cc1cc2c(cc1O)OCO2 ZINC000007779396 571288631 /nfs/dbraw/zinc/28/86/31/571288631.db2.gz ABUKOFWZORJTKJ-UHFFFAOYSA-N 1 0 356.241 3.577 50 10 FHCARO NC(=O)[C@@H]1CCC[N@H+](CCC=C2c3ccccc3CCc3ccccc32)C1 ZINC000140980365 571310238 /nfs/dbraw/zinc/31/02/38/571310238.db2.gz BNJRGBGMOJJNOQ-HXUWFJFHSA-N 1 0 360.501 3.804 50 10 FHCARO C[C@@H]1[N+](c2ccccc2)=C2SCCCN2[C@]1(O)c1ccc(Cl)cc1 ZINC000003208761 571345500 /nfs/dbraw/zinc/34/55/00/571345500.db2.gz XHQCDOLSMDCJNE-IFXJQAMLSA-N 1 0 359.902 3.899 50 10 FHCARO CCN(CC)c1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)c(O)c1 ZINC000023281632 939974610 /nfs/dbraw/zinc/97/46/10/939974610.db2.gz WDSJXDFSLNYSMI-UHFFFAOYSA-N 1 0 369.509 3.569 50 10 FHCARO CC[C@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000012935498 220045259 /nfs/dbraw/zinc/04/52/59/220045259.db2.gz LHXUNQCNEGPLTG-AWEZNQCLSA-N 1 0 350.256 3.919 50 10 FHCARO O[C@@]1(c2cccs2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 ZINC000015953400 220173105 /nfs/dbraw/zinc/17/31/05/220173105.db2.gz CHGVSESNVMZAQB-MRXNPFEDSA-N 1 0 351.904 3.572 50 10 FHCARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1cc(Br)ccc1O ZINC000020112226 220312666 /nfs/dbraw/zinc/31/26/66/220312666.db2.gz LBQULXQGPXYUEU-KRWDZBQOSA-N 1 0 373.250 3.880 50 10 FHCARO Oc1cc2[nH]c3ccccc3c2cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000009514992 132379113 /nfs/dbraw/zinc/37/91/13/132379113.db2.gz PSQJYQXZEALGMB-UHFFFAOYSA-N 1 0 358.445 3.744 50 10 FHCARO COc1ccc(N2CCN([C@H]3CCC[N@H+](CCC=C(C)C)C3)CC2)cc1 ZINC000072151677 136142824 /nfs/dbraw/zinc/14/28/24/136142824.db2.gz YPOPDSHBZXRDAF-NRFANRHFSA-N 1 0 357.542 3.638 50 10 FHCARO CN1CCCc2cc([C@H](CNC(=O)c3ccco3)[NH+]3CCCCC3)ccc21 ZINC000009137683 536397140 /nfs/dbraw/zinc/39/71/40/536397140.db2.gz FQHFTYJSFFWSHE-FQEVSTJZSA-N 1 0 367.493 3.619 50 10 FHCARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000034683550 570532356 /nfs/dbraw/zinc/53/23/56/570532356.db2.gz OWCSRMKSDDOLMD-UHFFFAOYSA-N 1 0 356.441 3.939 50 10 FHCARO CCOc1ccc([C@]2(O)C[N+](c3ccccc3C)=C3SCCCN32)cc1 ZINC000002966072 570678696 /nfs/dbraw/zinc/67/86/96/570678696.db2.gz YTPCSOFQSCEAIV-OAQYLSRUSA-N 1 0 369.510 3.564 50 10 FHCARO C[N@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1O)OCO2 ZINC000009365338 571106408 /nfs/dbraw/zinc/10/64/08/571106408.db2.gz BGGLBCLHCLFWQX-UHFFFAOYSA-N 1 0 350.212 3.515 50 10 FHCARO CC(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000035349274 571167197 /nfs/dbraw/zinc/16/71/97/571167197.db2.gz HLCZIWQKJYWFKE-JOCHJYFZSA-N 1 0 365.521 3.624 50 10 FHCARO Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1C ZINC000013008189 571323010 /nfs/dbraw/zinc/32/30/10/571323010.db2.gz PZRLJLWYYRQKRD-JOCHJYFZSA-N 1 0 365.521 3.719 50 10 FHCARO C[C@H]1[N+](c2ccccc2)=C2SCCCN2[C@@]1(O)c1ccc(Cl)cc1 ZINC000003208767 571345530 /nfs/dbraw/zinc/34/55/30/571345530.db2.gz XHQCDOLSMDCJNE-KUHUBIRLSA-N 1 0 359.902 3.899 50 10 FHCARO